NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14190 | 1wgy | 10086 | 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 -23.211 -7.342 -6.370 2 HA2 GLY 1 1HA GLY 1 -21.939 -5.764 -4.221 3 HA3 GLY 1 2HA GLY 1 -23.653 -6.131 -4.195 4 H SER 2 H SER 2 -21.232 -6.971 -2.452 5 HA SER 2 HA SER 2 -20.708 -8.700 -1.246 6 HB2 SER 2 1HB SER 2 -23.364 -9.200 -1.837 7 HB3 SER 2 2HB SER 2 -22.604 -10.675 -2.402 8 HG SER 2 HG SER 2 -22.662 -9.572 0.248 9 H SER 3 H SER 3 -19.500 -10.789 -1.364 10 HA SER 3 HA SER 3 -19.196 -12.052 -3.855 11 HB2 SER 3 1HB SER 3 -17.127 -10.018 -2.999 12 HB3 SER 3 2HB SER 3 -16.613 -11.445 -3.877 13 HG SER 3 HG SER 3 -18.373 -9.339 -4.738 14 H GLY 4 H GLY 4 -19.326 -14.066 -2.874 15 HA2 GLY 4 1HA GLY 4 -18.229 -14.650 -0.333 16 HA3 GLY 4 2HA GLY 4 -18.843 -15.791 -1.512 17 H SER 5 H SER 5 -16.297 -15.624 0.277 18 HA SER 5 HA SER 5 -14.235 -15.526 -1.705 19 HB2 SER 5 1HB SER 5 -12.707 -15.895 0.169 20 HB3 SER 5 2HB SER 5 -13.871 -14.658 0.602 21 HG SER 5 HG SER 5 -15.104 -16.323 1.742 22 H SER 6 H SER 6 -13.546 -17.280 -2.882 23 HA SER 6 HA SER 6 -13.475 -19.844 -1.709 24 HB2 SER 6 1HB SER 6 -15.766 -20.112 -2.196 25 HB3 SER 6 2HB SER 6 -15.673 -19.166 -3.669 26 HG SER 6 HG SER 6 -15.589 -21.090 -4.620 27 H GLY 7 H GLY 7 -11.650 -20.771 -2.572 28 HA2 GLY 7 1HA GLY 7 -10.026 -21.303 -4.035 29 HA3 GLY 7 2HA GLY 7 -11.107 -20.858 -5.341 30 H GLU 8 H GLU 8 -8.651 -20.209 -5.978 31 HA GLU 8 HA GLU 8 -7.072 -18.664 -6.135 32 HB2 GLU 8 1HB GLU 8 -7.854 -16.713 -7.348 33 HB3 GLU 8 2HB GLU 8 -8.854 -18.077 -7.807 34 HG2 GLU 8 1HG GLU 8 -9.866 -16.565 -5.451 35 HG3 GLU 8 2HG GLU 8 -9.820 -15.633 -6.934 36 H GLU 9 H GLU 9 -7.615 -19.015 -3.387 37 HA GLU 9 HA GLU 9 -8.072 -16.449 -2.239 38 HB2 GLU 9 1HB GLU 9 -7.737 -17.609 -0.090 39 HB3 GLU 9 2HB GLU 9 -8.835 -18.513 -1.112 40 HG2 GLU 9 1HG GLU 9 -7.486 -20.306 -0.722 41 HG3 GLU 9 2HG GLU 9 -6.371 -19.568 -1.855 42 H ILE 10 H ILE 10 -6.543 -14.886 -1.948 43 HA ILE 10 HA ILE 10 -3.830 -15.695 -1.353 44 HB ILE 10 HB ILE 10 -4.194 -15.525 -3.902 45 HG12 ILE 10 1HG1 ILE 10 -1.927 -13.787 -3.406 46 HG13 ILE 10 2HG1 ILE 10 -2.008 -15.048 -2.192 47 HG21 ILE 10 1HG2 ILE 10 -4.783 -13.596 -4.832 48 HG22 ILE 10 2HG2 ILE 10 -5.152 -12.996 -3.197 49 HG23 ILE 10 3HG2 ILE 10 -3.550 -12.700 -3.913 50 HD11 ILE 10 1HD1 ILE 10 -1.815 -16.785 -3.772 51 HD12 ILE 10 2HD1 ILE 10 -2.405 -15.766 -5.107 52 HD13 ILE 10 3HD1 ILE 10 -0.763 -15.525 -4.463 53 H PHE 11 H PHE 11 -2.501 -13.428 -1.147 54 HA PHE 11 HA PHE 11 -4.301 -11.505 0.127 55 HB2 PHE 11 1HB PHE 11 -2.010 -13.155 1.209 56 HB3 PHE 11 2HB PHE 11 -2.037 -11.479 1.720 57 HD1 PHE 11 2HD PHE 11 -3.913 -14.651 1.785 58 HD2 PHE 11 1HD PHE 11 -3.637 -10.700 3.309 59 HE1 PHE 11 2HE PHE 11 -5.588 -15.221 3.565 60 HE2 PHE 11 1HE PHE 11 -5.313 -11.270 5.089 61 HZ PHE 11 HZ PHE 11 -6.268 -13.524 5.196 62 H CYS 12 H CYS 12 -3.462 -9.321 0.234 63 HA CYS 12 HA CYS 12 -1.272 -8.926 -1.669 64 HB2 CYS 12 1HB CYS 12 -3.310 -7.997 -2.541 65 HB3 CYS 12 2HB CYS 12 -3.668 -7.184 -1.030 66 HG CYS 12 HG CYS 12 -0.970 -6.750 -2.905 67 H HIS 13 H HIS 13 0.604 -8.082 -0.813 68 HA HIS 13 HA HIS 13 0.530 -7.267 1.958 69 HB2 HIS 13 1HB HIS 13 2.695 -7.981 -0.005 70 HB3 HIS 13 2HB HIS 13 3.095 -7.116 1.466 71 HD1 HIS 13 1HD HIS 13 3.092 -10.421 0.266 72 HD2 HIS 13 2HD HIS 13 1.696 -8.662 3.810 73 HE1 HIS 13 1HE HIS 13 2.931 -12.302 1.983 74 H VAL 14 H VAL 14 0.318 -5.178 2.571 75 HA VAL 14 HA VAL 14 1.175 -3.145 0.629 76 HB VAL 14 HB VAL 14 -1.332 -3.462 2.208 77 HG11 VAL 14 1HG1 VAL 14 -1.598 -0.868 1.688 78 HG12 VAL 14 2HG1 VAL 14 -0.880 -1.448 3.210 79 HG13 VAL 14 3HG1 VAL 14 0.171 -0.894 1.885 80 HG21 VAL 14 1HG2 VAL 14 -2.140 -2.179 0.084 81 HG22 VAL 14 2HG2 VAL 14 -0.541 -2.608 -0.570 82 HG23 VAL 14 3HG2 VAL 14 -1.665 -3.888 -0.054 83 H TYR 15 H TYR 15 3.086 -2.375 1.397 84 HA TYR 15 HA TYR 15 3.586 -2.341 4.229 85 HB2 TYR 15 1HB TYR 15 4.961 -1.592 1.600 86 HB3 TYR 15 2HB TYR 15 5.686 -1.066 3.107 87 HD1 TYR 15 2HD TYR 15 3.950 -4.306 2.438 88 HD2 TYR 15 1HD TYR 15 7.671 -2.332 3.189 89 HE1 TYR 15 2HE TYR 15 5.105 -6.558 2.673 90 HE2 TYR 15 1HE TYR 15 8.813 -4.591 3.422 91 HH TYR 15 HH TYR 15 6.972 -7.598 2.968 92 H ILE 16 H ILE 16 3.100 -0.701 5.595 93 HA ILE 16 HA ILE 16 2.120 1.763 4.475 94 HB ILE 16 HB ILE 16 2.456 0.939 7.359 95 HG12 ILE 16 1HG1 ILE 16 -0.132 0.768 5.836 96 HG13 ILE 16 2HG1 ILE 16 1.018 -0.552 5.759 97 HG21 ILE 16 1HG2 ILE 16 1.302 3.300 5.986 98 HG22 ILE 16 2HG2 ILE 16 0.352 2.618 7.328 99 HG23 ILE 16 3HG2 ILE 16 2.031 3.143 7.603 100 HD11 ILE 16 1HD1 ILE 16 -0.882 -0.225 7.743 101 HD12 ILE 16 2HD1 ILE 16 0.588 -1.216 7.902 102 HD13 ILE 16 3HD1 ILE 16 0.571 0.457 8.511 103 H THR 17 H THR 17 4.745 0.800 6.799 104 HA THR 17 HA THR 17 6.147 3.258 5.974 105 HB THR 17 HB THR 17 7.081 3.262 8.261 106 HG1 THR 17 1HG THR 17 7.112 1.236 9.149 107 HG21 THR 17 1HG2 THR 17 4.989 3.361 9.654 108 HG22 THR 17 2HG2 THR 17 4.808 4.267 8.132 109 HG23 THR 17 3HG2 THR 17 4.077 2.652 8.300 110 H GLU 18 H GLU 18 8.427 1.956 7.698 111 HA GLU 18 HA GLU 18 9.580 0.693 5.385 112 HB2 GLU 18 1HB GLU 18 10.624 2.446 7.167 113 HB3 GLU 18 2HB GLU 18 11.104 0.957 7.956 114 HG2 GLU 18 1HG GLU 18 12.898 1.016 6.543 115 HG3 GLU 18 2HG GLU 18 11.785 0.388 5.345 116 H HIS 19 H HIS 19 8.492 -0.070 8.707 117 HA HIS 19 HA HIS 19 8.911 -2.889 8.051 118 HB2 HIS 19 1HB HIS 19 9.392 -1.660 10.777 119 HB3 HIS 19 2HB HIS 19 9.587 -3.345 10.340 120 HD1 HIS 19 1HD HIS 19 11.604 -3.908 8.642 121 HD2 HIS 19 2HD HIS 19 11.586 -0.039 10.264 122 HE1 HIS 19 1HE HIS 19 13.938 -2.956 8.246 123 H SER 20 H SER 20 6.556 -1.334 7.565 124 HA SER 20 HA SER 20 4.806 -2.698 9.429 125 HB2 SER 20 1HB SER 20 4.253 0.159 8.546 126 HB3 SER 20 2HB SER 20 3.410 -0.763 9.774 127 HG SER 20 HG SER 20 4.984 -0.378 11.227 128 H TYR 21 H TYR 21 2.773 -3.342 8.482 129 HA TYR 21 HA TYR 21 2.137 -2.505 5.813 130 HB2 TYR 21 1HB TYR 21 2.653 -4.609 4.766 131 HB3 TYR 21 2HB TYR 21 4.018 -4.394 5.845 132 HD1 TYR 21 1HD TYR 21 3.236 -5.251 8.428 133 HD2 TYR 21 2HD TYR 21 1.966 -6.815 4.654 134 HE1 TYR 21 1HE TYR 21 2.718 -7.487 9.521 135 HE2 TYR 21 2HE TYR 21 1.453 -9.046 5.759 136 HH TYR 21 HH TYR 21 2.476 -9.745 8.967 137 H VAL 22 H VAL 22 0.282 -4.230 5.003 138 HA VAL 22 HA VAL 22 -1.329 -5.009 7.297 139 HB VAL 22 HB VAL 22 -2.060 -2.778 6.980 140 HG11 VAL 22 1HG1 VAL 22 -1.467 -3.302 4.186 141 HG12 VAL 22 2HG1 VAL 22 -3.083 -2.580 4.376 142 HG13 VAL 22 3HG1 VAL 22 -1.654 -1.750 5.039 143 HG21 VAL 22 1HG2 VAL 22 -4.046 -3.777 7.379 144 HG22 VAL 22 2HG2 VAL 22 -4.385 -3.364 5.681 145 HG23 VAL 22 3HG2 VAL 22 -3.810 -4.995 6.102 146 H SER 23 H SER 23 -2.094 -7.028 6.945 147 HA SER 23 HA SER 23 -1.718 -8.158 4.371 148 HB2 SER 23 1HB SER 23 -2.127 -10.225 5.405 149 HB3 SER 23 2HB SER 23 -1.464 -9.275 6.721 150 HG SER 23 HG SER 23 -4.278 -9.742 6.203 151 H VAL 24 H VAL 24 -3.195 -8.107 2.717 152 HA VAL 24 HA VAL 24 -6.012 -7.749 3.479 153 HB VAL 24 HB VAL 24 -4.523 -6.681 1.072 154 HG11 VAL 24 1HG1 VAL 24 -7.135 -7.401 1.079 155 HG12 VAL 24 2HG1 VAL 24 -7.266 -5.736 1.695 156 HG13 VAL 24 3HG1 VAL 24 -6.483 -6.046 0.127 157 HG21 VAL 24 1HG2 VAL 24 -3.896 -5.152 2.636 158 HG22 VAL 24 2HG2 VAL 24 -5.511 -4.490 2.287 159 HG23 VAL 24 3HG2 VAL 24 -5.263 -5.525 3.713 160 H LYS 25 H LYS 25 -7.427 -9.279 2.750 161 HA LYS 25 HA LYS 25 -6.274 -11.363 1.063 162 HB2 LYS 25 1HB LYS 25 -7.270 -11.926 3.298 163 HB3 LYS 25 2HB LYS 25 -8.831 -11.409 2.691 164 HG2 LYS 25 1HG LYS 25 -8.317 -13.076 0.695 165 HG3 LYS 25 2HG LYS 25 -7.147 -13.768 1.801 166 HD2 LYS 25 1HD LYS 25 -9.681 -13.322 3.184 167 HD3 LYS 25 2HD LYS 25 -9.953 -14.255 1.726 168 HE2 LYS 25 1HE LYS 25 -8.944 -16.106 2.598 169 HE3 LYS 25 2HE LYS 25 -7.557 -15.190 3.151 170 HZ1 LYS 25 1HZ LYS 25 -8.802 -16.126 4.972 171 HZ2 LYS 25 2HZ LYS 25 -8.834 -14.495 5.053 172 HZ3 LYS 25 3HZ LYS 25 -10.149 -15.313 4.532 173 H ALA 26 H ALA 26 -6.429 -10.717 -1.055 174 HA ALA 26 HA ALA 26 -9.140 -10.001 -1.941 175 HB1 ALA 26 1HB ALA 26 -7.420 -8.111 -1.923 176 HB2 ALA 26 2HB ALA 26 -6.547 -9.018 -3.182 177 HB3 ALA 26 3HB ALA 26 -8.201 -8.438 -3.489 178 H LYS 27 H LYS 27 -9.075 -10.290 -4.570 179 HA LYS 27 HA LYS 27 -8.696 -13.094 -4.894 180 HB2 LYS 27 1HB LYS 27 -9.427 -11.038 -6.995 181 HB3 LYS 27 2HB LYS 27 -9.707 -12.766 -7.057 182 HG2 LYS 27 1HG LYS 27 -10.892 -10.951 -4.907 183 HG3 LYS 27 2HG LYS 27 -11.734 -11.368 -6.386 184 HD2 LYS 27 1HD LYS 27 -10.847 -13.853 -5.389 185 HD3 LYS 27 2HD LYS 27 -11.336 -12.975 -3.953 186 HE2 LYS 27 1HE LYS 27 -13.188 -12.825 -6.316 187 HE3 LYS 27 2HE LYS 27 -13.089 -14.370 -5.494 188 HZ1 LYS 27 1HZ LYS 27 -13.600 -11.822 -4.124 189 HZ2 LYS 27 2HZ LYS 27 -14.766 -12.872 -4.577 190 HZ3 LYS 27 3HZ LYS 27 -13.660 -13.312 -3.459 191 H VAL 28 H VAL 28 -7.633 -13.759 -7.183 192 HA VAL 28 HA VAL 28 -4.874 -13.010 -6.869 193 HB VAL 28 HB VAL 28 -5.695 -15.337 -7.221 194 HG11 VAL 28 1HG1 VAL 28 -7.186 -14.231 -9.282 195 HG12 VAL 28 2HG1 VAL 28 -5.885 -15.099 -10.132 196 HG13 VAL 28 3HG1 VAL 28 -6.930 -15.967 -8.982 197 HG21 VAL 28 1HG2 VAL 28 -3.347 -14.425 -7.791 198 HG22 VAL 28 2HG2 VAL 28 -3.819 -16.005 -8.460 199 HG23 VAL 28 3HG2 VAL 28 -3.863 -14.554 -9.490 200 H SER 29 H SER 29 -7.584 -11.783 -8.540 201 HA SER 29 HA SER 29 -5.767 -10.351 -10.297 202 HB2 SER 29 1HB SER 29 -6.904 -12.113 -11.633 203 HB3 SER 29 2HB SER 29 -8.467 -11.515 -11.114 204 HG SER 29 HG SER 29 -7.997 -10.647 -13.176 205 H SER 30 H SER 30 -6.894 -9.648 -7.683 206 HA SER 30 HA SER 30 -9.111 -7.935 -8.240 207 HB2 SER 30 1HB SER 30 -8.068 -9.210 -5.956 208 HB3 SER 30 2HB SER 30 -7.765 -7.509 -5.662 209 HG SER 30 HG SER 30 -9.957 -7.048 -5.788 210 H ILE 31 H ILE 31 -9.067 -5.650 -8.372 211 HA ILE 31 HA ILE 31 -6.626 -4.522 -9.232 212 HB ILE 31 HB ILE 31 -7.994 -2.398 -9.187 213 HG12 ILE 31 1HG1 ILE 31 -10.342 -4.214 -8.627 214 HG13 ILE 31 2HG1 ILE 31 -9.533 -3.331 -7.347 215 HG21 ILE 31 1HG2 ILE 31 -7.750 -4.241 -11.061 216 HG22 ILE 31 2HG2 ILE 31 -9.484 -4.478 -10.734 217 HG23 ILE 31 3HG2 ILE 31 -8.884 -2.880 -11.239 218 HD11 ILE 31 1HD1 ILE 31 -11.193 -1.803 -7.959 219 HD12 ILE 31 2HD1 ILE 31 -9.842 -1.251 -8.977 220 HD13 ILE 31 3HD1 ILE 31 -11.128 -2.264 -9.677 221 H ALA 32 H ALA 32 -5.711 -2.449 -8.247 222 HA ALA 32 HA ALA 32 -4.825 -3.015 -5.663 223 HB1 ALA 32 1HB ALA 32 -3.965 -1.456 -7.674 224 HB2 ALA 32 2HB ALA 32 -4.779 -0.206 -6.702 225 HB3 ALA 32 3HB ALA 32 -3.473 -1.181 -5.985 226 H GLN 33 H GLN 33 -7.387 -0.802 -6.923 227 HA GLN 33 HA GLN 33 -7.974 0.540 -4.665 228 HB2 GLN 33 1HB GLN 33 -9.085 1.073 -6.737 229 HB3 GLN 33 2HB GLN 33 -9.795 -0.525 -6.856 230 HG2 GLN 33 1HG GLN 33 -11.635 0.368 -5.858 231 HG3 GLN 33 2HG GLN 33 -10.713 0.335 -4.368 232 HE21 GLN 33 1HE2 GLN 33 -9.061 2.225 -4.235 233 HE22 GLN 33 2HE2 GLN 33 -9.695 3.805 -4.554 234 H GLU 34 H GLU 34 -9.002 -2.790 -5.587 235 HA GLU 34 HA GLU 34 -10.804 -3.184 -3.558 236 HB2 GLU 34 1HB GLU 34 -8.990 -5.070 -5.097 237 HB3 GLU 34 2HB GLU 34 -10.093 -5.675 -3.877 238 HG2 GLU 34 1HG GLU 34 -11.440 -3.783 -5.676 239 HG3 GLU 34 2HG GLU 34 -10.708 -5.097 -6.576 240 H ILE 35 H ILE 35 -7.340 -2.833 -3.444 241 HA ILE 35 HA ILE 35 -7.208 -4.134 -0.834 242 HB ILE 35 HB ILE 35 -4.938 -2.964 -2.429 243 HG12 ILE 35 1HG1 ILE 35 -5.877 -4.485 -3.961 244 HG13 ILE 35 2HG1 ILE 35 -4.560 -5.350 -3.194 245 HG21 ILE 35 1HG2 ILE 35 -4.279 -5.283 -0.892 246 HG22 ILE 35 2HG2 ILE 35 -3.681 -3.615 -0.725 247 HG23 ILE 35 3HG2 ILE 35 -5.143 -4.129 0.151 248 HD11 ILE 35 1HD1 ILE 35 -6.078 -6.575 -1.754 249 HD12 ILE 35 2HD1 ILE 35 -7.449 -5.548 -2.237 250 HD13 ILE 35 3HD1 ILE 35 -6.723 -6.673 -3.410 251 H LEU 36 H LEU 36 -6.603 -0.977 -2.493 252 HA LEU 36 HA LEU 36 -5.791 0.430 -0.259 253 HB2 LEU 36 1HB LEU 36 -5.678 1.117 -2.661 254 HB3 LEU 36 2HB LEU 36 -7.392 1.476 -2.596 255 HG LEU 36 HG LEU 36 -6.781 3.055 -0.630 256 HD11 LEU 36 1HD1 LEU 36 -4.656 3.429 -0.085 257 HD12 LEU 36 2HD1 LEU 36 -4.257 1.977 -1.034 258 HD13 LEU 36 3HD1 LEU 36 -4.161 3.586 -1.788 259 HD21 LEU 36 1HD2 LEU 36 -6.266 3.519 -3.554 260 HD22 LEU 36 2HD2 LEU 36 -7.608 4.086 -2.531 261 HD23 LEU 36 3HD2 LEU 36 -5.994 4.819 -2.369 262 H LYS 37 H LYS 37 -9.091 -0.311 -1.499 263 HA LYS 37 HA LYS 37 -10.457 1.307 0.321 264 HB2 LYS 37 1HB LYS 37 -12.412 -0.044 -0.295 265 HB3 LYS 37 2HB LYS 37 -11.491 0.453 -1.700 266 HG2 LYS 37 1HG LYS 37 -11.293 -1.716 -2.320 267 HG3 LYS 37 2HG LYS 37 -10.361 -2.034 -0.870 268 HD2 LYS 37 1HD LYS 37 -12.495 -2.403 0.405 269 HD3 LYS 37 2HD LYS 37 -13.409 -2.121 -1.063 270 HE2 LYS 37 1HE LYS 37 -11.651 -4.043 -1.948 271 HE3 LYS 37 2HE LYS 37 -11.790 -4.504 -0.263 272 HZ1 LYS 37 1HZ LYS 37 -13.741 -4.646 -2.335 273 HZ2 LYS 37 2HZ LYS 37 -13.633 -5.499 -0.946 274 HZ3 LYS 37 3HZ LYS 37 -14.328 -4.022 -0.944 275 H VAL 38 H VAL 38 -8.901 -1.862 0.607 276 HA VAL 38 HA VAL 38 -10.233 -2.439 3.096 277 HB VAL 38 HB VAL 38 -7.873 -3.815 1.806 278 HG11 VAL 38 1HG1 VAL 38 -9.008 -5.806 3.027 279 HG12 VAL 38 2HG1 VAL 38 -8.052 -4.646 3.981 280 HG13 VAL 38 3HG1 VAL 38 -9.830 -4.548 3.981 281 HG21 VAL 38 1HG2 VAL 38 -10.695 -4.783 1.467 282 HG22 VAL 38 2HG2 VAL 38 -10.081 -3.491 0.408 283 HG23 VAL 38 3HG2 VAL 38 -9.261 -5.071 0.453 284 H VAL 39 H VAL 39 -6.821 -1.773 2.025 285 HA VAL 39 HA VAL 39 -5.707 -1.632 4.530 286 HB VAL 39 HB VAL 39 -5.031 -0.050 2.042 287 HG11 VAL 39 1HG1 VAL 39 -3.828 -0.128 4.697 288 HG12 VAL 39 2HG1 VAL 39 -2.680 -0.628 3.431 289 HG13 VAL 39 3HG1 VAL 39 -3.493 0.952 3.322 290 HG21 VAL 39 1HG2 VAL 39 -4.903 -2.242 1.318 291 HG22 VAL 39 2HG2 VAL 39 -3.254 -1.987 1.939 292 HG23 VAL 39 3HG2 VAL 39 -4.451 -2.863 2.924 293 H ALA 40 H ALA 40 -7.127 1.058 2.546 294 HA ALA 40 HA ALA 40 -6.711 3.181 4.094 295 HB1 ALA 40 1HB ALA 40 -7.961 3.431 2.093 296 HB2 ALA 40 2HB ALA 40 -9.205 2.275 2.627 297 HB3 ALA 40 3HB ALA 40 -9.093 3.878 3.392 298 H GLU 41 H GLU 41 -9.241 0.657 4.686 299 HA GLU 41 HA GLU 41 -10.127 1.933 7.035 300 HB2 GLU 41 1HB GLU 41 -10.528 -0.998 6.335 301 HB3 GLU 41 2HB GLU 41 -11.572 0.026 7.300 302 HG2 GLU 41 1HG GLU 41 -11.230 1.296 4.730 303 HG3 GLU 41 2HG GLU 41 -11.618 -0.389 4.445 304 H LYS 42 H LYS 42 -7.889 -0.795 6.286 305 HA LYS 42 HA LYS 42 -7.472 -1.610 8.917 306 HB2 LYS 42 1HB LYS 42 -6.377 -2.138 6.282 307 HB3 LYS 42 2HB LYS 42 -5.101 -2.085 7.482 308 HG2 LYS 42 1HG LYS 42 -6.050 -4.373 7.278 309 HG3 LYS 42 2HG LYS 42 -6.294 -3.727 8.889 310 HD2 LYS 42 1HD LYS 42 -8.391 -4.716 8.247 311 HD3 LYS 42 2HD LYS 42 -8.625 -2.982 8.147 312 HE2 LYS 42 1HE LYS 42 -7.814 -3.370 5.608 313 HE3 LYS 42 2HE LYS 42 -8.384 -4.999 5.915 314 HZ1 LYS 42 1HZ LYS 42 -10.182 -2.978 6.815 315 HZ2 LYS 42 2HZ LYS 42 -9.933 -2.944 5.201 316 HZ3 LYS 42 3HZ LYS 42 -10.477 -4.308 5.915 317 H ILE 43 H ILE 43 -6.594 1.301 7.260 318 HA ILE 43 HA ILE 43 -4.596 1.860 9.340 319 HB ILE 43 HB ILE 43 -3.383 3.100 7.871 320 HG12 ILE 43 1HG1 ILE 43 -5.805 3.449 6.080 321 HG13 ILE 43 2HG1 ILE 43 -5.258 4.615 7.268 322 HG21 ILE 43 1HG2 ILE 43 -4.416 1.549 5.592 323 HG22 ILE 43 2HG2 ILE 43 -2.788 1.604 6.312 324 HG23 ILE 43 3HG2 ILE 43 -4.051 0.586 7.044 325 HD11 ILE 43 1HD1 ILE 43 -4.096 3.927 4.611 326 HD12 ILE 43 2HD1 ILE 43 -4.080 5.472 5.495 327 HD13 ILE 43 3HD1 ILE 43 -2.913 4.195 5.915 328 H GLN 44 H GLN 44 -7.775 2.483 8.166 329 HA GLN 44 HA GLN 44 -9.358 3.755 8.960 330 HB2 GLN 44 1HB GLN 44 -7.379 5.022 10.900 331 HB3 GLN 44 2HB GLN 44 -9.127 5.020 11.031 332 HG2 GLN 44 1HG GLN 44 -8.952 2.419 11.042 333 HG3 GLN 44 2HG GLN 44 -7.236 2.650 11.311 334 HE21 GLN 44 1HE2 GLN 44 -9.633 1.661 12.928 335 HE22 GLN 44 2HE2 GLN 44 -9.500 2.459 14.460 336 H TYR 45 H TYR 45 -8.584 4.545 6.620 337 HA TYR 45 HA TYR 45 -8.451 7.451 6.828 338 HB2 TYR 45 1HB TYR 45 -6.364 5.572 5.956 339 HB3 TYR 45 2HB TYR 45 -6.884 6.513 4.572 340 HD1 TYR 45 2HD TYR 45 -6.648 9.003 4.591 341 HD2 TYR 45 1HD TYR 45 -5.057 6.557 7.719 342 HE1 TYR 45 2HE TYR 45 -5.162 10.923 5.346 343 HE2 TYR 45 1HE TYR 45 -3.576 8.485 8.464 344 HH TYR 45 HH TYR 45 -3.939 11.675 7.078 345 H ALA 46 H ALA 46 -8.175 7.895 4.007 346 HA ALA 46 HA ALA 46 -10.680 6.671 3.067 347 HB1 ALA 46 1HB ALA 46 -9.767 9.271 1.936 348 HB2 ALA 46 2HB ALA 46 -11.404 8.721 2.365 349 HB3 ALA 46 3HB ALA 46 -10.299 9.301 3.634 350 H GLU 47 H GLU 47 -10.164 5.093 1.626 351 HA GLU 47 HA GLU 47 -7.800 4.740 0.408 352 HB2 GLU 47 1HB GLU 47 -9.120 3.432 -1.339 353 HB3 GLU 47 2HB GLU 47 -9.444 3.000 0.328 354 HG2 GLU 47 1HG GLU 47 -11.492 4.368 0.341 355 HG3 GLU 47 2HG GLU 47 -11.139 4.980 -1.263 356 H GLU 48 H GLU 48 -10.558 6.768 -0.711 357 HA GLU 48 HA GLU 48 -9.549 7.311 -3.224 358 HB2 GLU 48 1HB GLU 48 -11.032 9.426 -2.985 359 HB3 GLU 48 2HB GLU 48 -11.817 7.863 -2.864 360 HG2 GLU 48 1HG GLU 48 -12.110 8.029 -0.530 361 HG3 GLU 48 2HG GLU 48 -10.777 9.151 -0.334 362 H ASP 49 H ASP 49 -8.716 8.553 -0.018 363 HA ASP 49 HA ASP 49 -7.279 10.763 -1.165 364 HB2 ASP 49 1HB ASP 49 -7.621 9.763 1.699 365 HB3 ASP 49 2HB ASP 49 -6.661 11.170 1.286 366 H LEU 50 H LEU 50 -6.815 7.453 -0.729 367 HA LEU 50 HA LEU 50 -3.951 7.764 -0.167 368 HB2 LEU 50 1HB LEU 50 -5.812 5.413 0.189 369 HB3 LEU 50 2HB LEU 50 -4.069 5.311 0.344 370 HG LEU 50 HG LEU 50 -5.913 6.998 2.059 371 HD11 LEU 50 1HD1 LEU 50 -6.161 4.645 2.552 372 HD12 LEU 50 2HD1 LEU 50 -4.396 4.445 2.663 373 HD13 LEU 50 3HD1 LEU 50 -5.256 5.438 3.864 374 HD21 LEU 50 1HD2 LEU 50 -3.695 7.118 3.452 375 HD22 LEU 50 2HD2 LEU 50 -2.927 6.834 1.872 376 HD23 LEU 50 3HD2 LEU 50 -3.984 8.247 2.106 377 H ALA 51 H ALA 51 -2.715 5.756 -1.308 378 HA ALA 51 HA ALA 51 -3.744 5.069 -3.873 379 HB1 ALA 51 1HB ALA 51 -1.850 7.379 -3.549 380 HB2 ALA 51 2HB ALA 51 -1.623 6.282 -4.933 381 HB3 ALA 51 3HB ALA 51 -3.167 7.142 -4.723 382 H LEU 52 H LEU 52 -2.458 3.419 -4.864 383 HA LEU 52 HA LEU 52 -0.728 2.112 -2.962 384 HB2 LEU 52 1HB LEU 52 -1.864 1.341 -5.646 385 HB3 LEU 52 2HB LEU 52 -0.705 0.346 -4.786 386 HG LEU 52 HG LEU 52 -2.604 -0.654 -4.064 387 HD11 LEU 52 1HD1 LEU 52 -1.469 0.321 -2.074 388 HD12 LEU 52 2HD1 LEU 52 -2.623 1.676 -2.128 389 HD13 LEU 52 3HD1 LEU 52 -3.207 0.019 -1.838 390 HD21 LEU 52 1HD2 LEU 52 -3.949 1.104 -5.447 391 HD22 LEU 52 2HD2 LEU 52 -4.760 0.160 -4.175 392 HD23 LEU 52 3HD2 LEU 52 -4.262 1.839 -3.856 393 H VAL 53 H VAL 53 1.402 2.541 -2.835 394 HA VAL 53 HA VAL 53 2.675 3.664 -5.221 395 HB VAL 53 HB VAL 53 3.344 3.735 -2.278 396 HG11 VAL 53 1HG1 VAL 53 5.501 3.974 -2.797 397 HG12 VAL 53 2HG1 VAL 53 5.138 3.912 -4.538 398 HG13 VAL 53 3HG1 VAL 53 5.079 5.466 -3.671 399 HG21 VAL 53 1HG2 VAL 53 3.314 6.302 -3.039 400 HG22 VAL 53 2HG2 VAL 53 2.195 5.647 -4.259 401 HG23 VAL 53 3HG2 VAL 53 1.844 5.439 -2.527 402 H ALA 54 H ALA 54 3.682 2.197 -6.490 403 HA ALA 54 HA ALA 54 4.637 -0.257 -5.248 404 HB1 ALA 54 1HB ALA 54 4.112 0.669 -8.085 405 HB2 ALA 54 2HB ALA 54 5.021 -0.823 -7.742 406 HB3 ALA 54 3HB ALA 54 3.338 -0.657 -7.186 407 H ILE 55 H ILE 55 6.715 -0.426 -4.590 408 HA ILE 55 HA ILE 55 8.657 1.337 -5.916 409 HB ILE 55 HB ILE 55 8.775 0.279 -3.092 410 HG12 ILE 55 1HG1 ILE 55 7.548 2.772 -4.218 411 HG13 ILE 55 2HG1 ILE 55 6.967 1.716 -2.945 412 HG21 ILE 55 1HG2 ILE 55 10.602 1.778 -2.778 413 HG22 ILE 55 2HG2 ILE 55 10.935 0.829 -4.247 414 HG23 ILE 55 3HG2 ILE 55 10.362 2.509 -4.383 415 HD11 ILE 55 1HD1 ILE 55 9.372 3.588 -2.743 416 HD12 ILE 55 2HD1 ILE 55 7.779 3.839 -1.989 417 HD13 ILE 55 3HD1 ILE 55 8.815 2.495 -1.453 418 H THR 56 H THR 56 10.841 0.446 -6.196 419 HA THR 56 HA THR 56 10.717 -2.478 -6.515 420 HB THR 56 HB THR 56 10.926 -1.144 -8.617 421 HG1 THR 56 1HG THR 56 12.255 -2.857 -9.048 422 HG21 THR 56 1HG2 THR 56 12.501 0.512 -8.930 423 HG22 THR 56 2HG2 THR 56 12.509 0.605 -7.153 424 HG23 THR 56 3HG2 THR 56 13.736 -0.369 -7.999 425 H PHE 57 H PHE 57 13.148 -3.379 -6.588 426 HA PHE 57 HA PHE 57 14.000 -3.302 -3.955 427 HB2 PHE 57 1HB PHE 57 14.397 -4.993 -5.916 428 HB3 PHE 57 2HB PHE 57 15.655 -3.908 -6.472 429 HD1 PHE 57 2HD PHE 57 14.624 -5.979 -3.570 430 HD2 PHE 57 1HD PHE 57 17.817 -4.028 -5.572 431 HE1 PHE 57 2HE PHE 57 16.268 -7.103 -2.042 432 HE2 PHE 57 1HE PHE 57 19.461 -5.152 -4.044 433 HZ PHE 57 HZ PHE 57 18.667 -6.676 -2.298 434 H SER 58 H SER 58 15.577 -1.854 -6.900 435 HA SER 58 HA SER 58 17.702 -0.727 -5.787 436 HB2 SER 58 1HB SER 58 17.867 0.370 -7.773 437 HB3 SER 58 2HB SER 58 16.405 -0.495 -8.203 438 HG SER 58 HG SER 58 16.680 2.115 -8.163 439 H GLY 59 H GLY 59 14.328 0.571 -5.715 440 HA2 GLY 59 1HA GLY 59 13.613 1.623 -3.664 441 HA3 GLY 59 2HA GLY 59 15.182 2.395 -3.549 442 H GLU 60 H GLU 60 12.205 2.191 -5.586 443 HA GLU 60 HA GLU 60 12.517 5.019 -6.078 444 HB2 GLU 60 1HB GLU 60 12.386 2.884 -8.226 445 HB3 GLU 60 2HB GLU 60 11.780 4.497 -8.545 446 HG2 GLU 60 1HG GLU 60 14.136 5.250 -7.530 447 HG3 GLU 60 2HG GLU 60 14.613 3.618 -7.955 448 H LYS 61 H LYS 61 10.598 6.029 -5.652 449 HA LYS 61 HA LYS 61 8.310 4.453 -5.064 450 HB2 LYS 61 1HB LYS 61 9.091 7.321 -4.916 451 HB3 LYS 61 2HB LYS 61 7.375 6.982 -5.029 452 HG2 LYS 61 1HG LYS 61 7.474 5.507 -3.068 453 HG3 LYS 61 2HG LYS 61 9.222 5.627 -3.010 454 HD2 LYS 61 1HD LYS 61 8.180 8.312 -3.005 455 HD3 LYS 61 2HD LYS 61 7.257 7.394 -1.832 456 HE2 LYS 61 1HE LYS 61 8.995 7.755 -0.402 457 HE3 LYS 61 2HE LYS 61 9.853 6.531 -1.317 458 HZ1 LYS 61 1HZ LYS 61 11.188 8.425 -1.308 459 HZ2 LYS 61 2HZ LYS 61 10.547 8.389 -2.809 460 HZ3 LYS 61 3HZ LYS 61 9.964 9.434 -1.698 461 H HIS 62 H HIS 62 6.348 4.259 -6.194 462 HA HIS 62 HA HIS 62 6.127 5.586 -8.739 463 HB2 HIS 62 1HB HIS 62 7.264 3.011 -8.622 464 HB3 HIS 62 2HB HIS 62 5.615 2.765 -9.160 465 HD1 HIS 62 1HD HIS 62 8.411 5.256 -10.050 466 HD2 HIS 62 2HD HIS 62 5.469 2.886 -11.872 467 HE1 HIS 62 1HE HIS 62 8.651 5.625 -12.563 468 H GLU 63 H GLU 63 3.959 5.781 -9.416 469 HA GLU 63 HA GLU 63 2.060 4.609 -7.535 470 HB2 GLU 63 1HB GLU 63 2.394 7.392 -8.524 471 HB3 GLU 63 2HB GLU 63 0.741 6.811 -8.554 472 HG2 GLU 63 1HG GLU 63 0.758 7.522 -6.363 473 HG3 GLU 63 2HG GLU 63 1.427 5.927 -6.083 474 H LEU 64 H LEU 64 0.010 3.889 -8.409 475 HA LEU 64 HA LEU 64 -0.027 3.745 -11.340 476 HB2 LEU 64 1HB LEU 64 -1.149 1.452 -9.867 477 HB3 LEU 64 2HB LEU 64 -0.282 1.512 -11.388 478 HG LEU 64 HG LEU 64 1.785 2.056 -9.813 479 HD11 LEU 64 1HD1 LEU 64 1.225 2.050 -7.649 480 HD12 LEU 64 2HD1 LEU 64 -0.312 1.203 -7.947 481 HD13 LEU 64 3HD1 LEU 64 1.201 0.277 -7.805 482 HD21 LEU 64 1HD2 LEU 64 1.743 -0.670 -9.511 483 HD22 LEU 64 2HD2 LEU 64 0.602 -0.420 -10.855 484 HD23 LEU 64 3HD2 LEU 64 2.265 0.204 -10.971 485 H GLN 65 H GLN 65 -2.549 2.238 -11.313 486 HA GLN 65 HA GLN 65 -4.237 4.448 -10.452 487 HB2 GLN 65 1HB GLN 65 -4.347 2.503 -12.743 488 HB3 GLN 65 2HB GLN 65 -5.872 3.081 -12.102 489 HG2 GLN 65 1HG GLN 65 -4.118 5.356 -12.333 490 HG3 GLN 65 2HG GLN 65 -4.015 4.461 -13.836 491 HE21 GLN 65 1HE2 GLN 65 -5.821 6.588 -11.927 492 HE22 GLN 65 2HE2 GLN 65 -7.268 6.683 -12.875 493 HA PRO 66 HA PRO 66 -6.383 1.825 -7.741 494 HB2 PRO 66 1HB PRO 66 -8.975 2.679 -7.893 495 HB3 PRO 66 2HB PRO 66 -7.739 3.524 -6.981 496 HG2 PRO 66 1HG PRO 66 -8.938 4.243 -9.586 497 HG3 PRO 66 2HG PRO 66 -8.040 5.257 -8.473 498 HD2 PRO 66 1HD PRO 66 -7.069 4.115 -10.918 499 HD3 PRO 66 2HD PRO 66 -6.141 5.031 -9.748 500 H ASN 67 H ASN 67 -6.823 1.533 -10.989 501 HA ASN 67 HA ASN 67 -8.588 -0.743 -10.583 502 HB2 ASN 67 1HB ASN 67 -8.566 -0.571 -13.252 503 HB3 ASN 67 2HB ASN 67 -9.578 0.504 -12.309 504 HD21 ASN 67 1HD2 ASN 67 -6.409 0.172 -13.837 505 HD22 ASN 67 2HD2 ASN 67 -6.140 1.849 -14.180 506 H ASP 68 H ASP 68 -5.337 0.114 -10.810 507 HA ASP 68 HA ASP 68 -4.432 -1.810 -12.648 508 HB2 ASP 68 1HB ASP 68 -3.293 0.360 -11.574 509 HB3 ASP 68 2HB ASP 68 -2.732 -0.780 -10.368 510 H LEU 69 H LEU 69 -3.642 -3.947 -12.214 511 HA LEU 69 HA LEU 69 -4.723 -5.288 -10.028 512 HB2 LEU 69 1HB LEU 69 -3.451 -5.916 -12.427 513 HB3 LEU 69 2HB LEU 69 -2.401 -6.588 -11.195 514 HG LEU 69 HG LEU 69 -4.131 -7.981 -10.329 515 HD11 LEU 69 1HD1 LEU 69 -6.425 -7.844 -11.693 516 HD12 LEU 69 2HD1 LEU 69 -6.124 -6.903 -10.213 517 HD13 LEU 69 3HD1 LEU 69 -5.936 -6.136 -11.808 518 HD21 LEU 69 1HD2 LEU 69 -3.430 -8.034 -13.148 519 HD22 LEU 69 2HD2 LEU 69 -3.549 -9.363 -11.971 520 HD23 LEU 69 3HD2 LEU 69 -5.001 -8.812 -12.840 521 H VAL 70 H VAL 70 -3.590 -6.395 -8.243 522 HA VAL 70 HA VAL 70 -1.345 -4.745 -7.311 523 HB VAL 70 HB VAL 70 -2.379 -6.079 -5.125 524 HG11 VAL 70 1HG1 VAL 70 -3.329 -3.827 -4.534 525 HG12 VAL 70 2HG1 VAL 70 -1.627 -3.800 -5.056 526 HG13 VAL 70 3HG1 VAL 70 -2.911 -3.284 -6.176 527 HG21 VAL 70 1HG2 VAL 70 -4.696 -5.128 -6.844 528 HG22 VAL 70 2HG2 VAL 70 -4.324 -6.821 -6.437 529 HG23 VAL 70 3HG2 VAL 70 -4.797 -5.680 -5.155 530 H ILE 71 H ILE 71 -2.701 -8.066 -7.624 531 HA ILE 71 HA ILE 71 0.006 -9.071 -7.082 532 HB ILE 71 HB ILE 71 -1.374 -9.882 -5.388 533 HG12 ILE 71 1HG1 ILE 71 -1.574 -12.169 -7.335 534 HG13 ILE 71 2HG1 ILE 71 -0.004 -11.573 -6.836 535 HG21 ILE 71 1HG2 ILE 71 -3.457 -9.974 -7.504 536 HG22 ILE 71 2HG2 ILE 71 -3.541 -11.218 -6.234 537 HG23 ILE 71 3HG2 ILE 71 -3.567 -9.493 -5.794 538 HD11 ILE 71 1HD1 ILE 71 -0.174 -12.726 -4.899 539 HD12 ILE 71 2HD1 ILE 71 -1.631 -11.796 -4.471 540 HD13 ILE 71 3HD1 ILE 71 -1.781 -13.311 -5.394 541 H SER 72 H SER 72 0.356 -8.366 -9.409 542 HA SER 72 HA SER 72 -0.823 -10.332 -11.205 543 HB2 SER 72 1HB SER 72 -0.030 -8.718 -13.021 544 HB3 SER 72 2HB SER 72 -1.323 -8.131 -11.994 545 HG SER 72 HG SER 72 1.045 -6.967 -12.447 546 H LYS 73 H LYS 73 2.257 -8.488 -10.585 547 HA LYS 73 HA LYS 73 4.378 -9.005 -10.932 548 HB2 LYS 73 1HB LYS 73 3.163 -11.420 -9.735 549 HB3 LYS 73 2HB LYS 73 4.709 -11.688 -10.516 550 HG2 LYS 73 1HG LYS 73 5.596 -10.951 -8.540 551 HG3 LYS 73 2HG LYS 73 5.244 -9.352 -9.164 552 HD2 LYS 73 1HD LYS 73 2.795 -10.009 -8.096 553 HD3 LYS 73 2HD LYS 73 3.852 -10.903 -7.022 554 HE2 LYS 73 1HE LYS 73 5.185 -8.484 -7.168 555 HE3 LYS 73 2HE LYS 73 3.522 -7.956 -7.332 556 HZ1 LYS 73 1HZ LYS 73 3.005 -8.727 -5.277 557 HZ2 LYS 73 2HZ LYS 73 4.152 -9.888 -5.259 558 HZ3 LYS 73 3HZ LYS 73 4.566 -8.328 -5.015 559 H SER 74 H SER 74 4.233 -8.393 -13.191 560 HA SER 74 HA SER 74 3.730 -10.486 -15.064 561 HB2 SER 74 1HB SER 74 3.069 -8.086 -15.444 562 HB3 SER 74 2HB SER 74 4.765 -7.652 -15.522 563 HG SER 74 HG SER 74 4.802 -9.451 -17.284 564 H LEU 75 H LEU 75 6.540 -8.329 -14.216 565 HA LEU 75 HA LEU 75 8.358 -10.503 -14.495 566 HB2 LEU 75 1HB LEU 75 9.674 -9.528 -16.331 567 HB3 LEU 75 2HB LEU 75 8.109 -10.141 -16.825 568 HG LEU 75 HG LEU 75 8.183 -7.253 -16.164 569 HD11 LEU 75 1HD1 LEU 75 10.178 -8.379 -17.912 570 HD12 LEU 75 2HD1 LEU 75 9.063 -7.344 -18.837 571 HD13 LEU 75 3HD1 LEU 75 9.920 -6.687 -17.422 572 HD21 LEU 75 1HD2 LEU 75 6.175 -7.639 -17.085 573 HD22 LEU 75 2HD2 LEU 75 7.051 -7.519 -18.630 574 HD23 LEU 75 3HD2 LEU 75 6.721 -9.116 -17.916 575 H GLU 76 H GLU 76 8.649 -9.827 -12.270 576 HA GLU 76 HA GLU 76 10.694 -7.882 -12.087 577 HB2 GLU 76 1HB GLU 76 7.997 -6.988 -11.662 578 HB3 GLU 76 2HB GLU 76 8.790 -7.011 -10.099 579 HG2 GLU 76 1HG GLU 76 10.220 -5.808 -12.488 580 HG3 GLU 76 2HG GLU 76 8.997 -4.874 -11.650 581 H ALA 77 H ALA 77 12.105 -9.101 -10.901 582 HA ALA 77 HA ALA 77 11.261 -11.148 -9.174 583 HB1 ALA 77 1HB ALA 77 13.894 -9.694 -9.604 584 HB2 ALA 77 2HB ALA 77 13.719 -11.072 -8.492 585 HB3 ALA 77 3HB ALA 77 13.406 -11.287 -10.231 586 H SER 78 H SER 78 10.105 -10.787 -7.341 587 HA SER 78 HA SER 78 9.630 -10.082 -5.339 588 HB2 SER 78 1HB SER 78 12.425 -9.733 -5.428 589 HB3 SER 78 2HB SER 78 11.827 -8.206 -4.810 590 HG SER 78 HG SER 78 11.197 -9.144 -2.969 591 H GLY 79 H GLY 79 8.786 -8.114 -4.170 592 HA2 GLY 79 1HA GLY 79 8.990 -5.517 -5.177 593 HA3 GLY 79 2HA GLY 79 7.622 -6.278 -5.963 594 H ARG 80 H ARG 80 7.668 -4.046 -3.974 595 HA ARG 80 HA ARG 80 5.788 -5.269 -2.163 596 HB2 ARG 80 1HB ARG 80 6.885 -3.634 -0.348 597 HB3 ARG 80 2HB ARG 80 7.523 -5.247 -0.598 598 HG2 ARG 80 1HG ARG 80 8.652 -3.172 -2.419 599 HG3 ARG 80 2HG ARG 80 9.026 -2.935 -0.723 600 HD2 ARG 80 1HD ARG 80 9.419 -5.633 -2.088 601 HD3 ARG 80 2HD ARG 80 10.666 -4.402 -2.101 602 HE ARG 80 HE ARG 80 9.783 -5.981 0.220 603 HH11 ARG 80 2HH2 ARG 80 11.529 -3.129 -0.874 604 HH12 ARG 80 1HH2 ARG 80 12.456 -2.981 0.581 605 HH21 ARG 80 2HH1 ARG 80 11.005 -5.786 2.141 606 HH22 ARG 80 1HH1 ARG 80 12.156 -4.502 2.308 607 H ILE 81 H ILE 81 3.920 -4.056 -2.253 608 HA ILE 81 HA ILE 81 4.086 -1.408 -3.408 609 HB ILE 81 HB ILE 81 1.817 -3.266 -2.718 610 HG12 ILE 81 1HG1 ILE 81 2.958 -2.257 -5.340 611 HG13 ILE 81 2HG1 ILE 81 3.084 -3.883 -4.698 612 HG21 ILE 81 1HG2 ILE 81 0.974 -1.080 -2.250 613 HG22 ILE 81 2HG2 ILE 81 1.692 -0.419 -3.739 614 HG23 ILE 81 3HG2 ILE 81 0.345 -1.578 -3.838 615 HD11 ILE 81 1HD1 ILE 81 0.836 -2.595 -6.106 616 HD12 ILE 81 2HD1 ILE 81 1.190 -4.325 -5.879 617 HD13 ILE 81 3HD1 ILE 81 0.334 -3.418 -4.609 618 H TYR 82 H TYR 82 2.923 0.441 -2.386 619 HA TYR 82 HA TYR 82 2.770 0.201 0.528 620 HB2 TYR 82 1HB TYR 82 4.276 2.241 -1.223 621 HB3 TYR 82 2HB TYR 82 4.001 2.492 0.489 622 HD1 TYR 82 1HD TYR 82 5.714 0.292 -1.971 623 HD2 TYR 82 2HD TYR 82 5.406 1.481 2.127 624 HE1 TYR 82 1HE TYR 82 7.849 -0.979 -1.434 625 HE2 TYR 82 2HE TYR 82 7.542 0.206 2.650 626 HH TYR 82 HH TYR 82 9.563 -0.514 1.381 627 H VAL 83 H VAL 83 1.953 2.531 1.380 628 HA VAL 83 HA VAL 83 -0.036 3.551 -0.504 629 HB VAL 83 HB VAL 83 -1.243 1.914 0.717 630 HG11 VAL 83 1HG1 VAL 83 0.580 2.001 2.638 631 HG12 VAL 83 2HG1 VAL 83 -0.603 3.093 3.397 632 HG13 VAL 83 3HG1 VAL 83 -1.076 1.434 2.961 633 HG21 VAL 83 1HG2 VAL 83 -3.017 3.213 1.272 634 HG22 VAL 83 2HG2 VAL 83 -2.064 4.236 2.374 635 HG23 VAL 83 3HG2 VAL 83 -1.994 4.514 0.617 636 H TYR 84 H TYR 84 -0.057 5.749 -0.538 637 HA TYR 84 HA TYR 84 1.246 7.094 1.734 638 HB2 TYR 84 1HB TYR 84 1.139 7.534 -1.306 639 HB3 TYR 84 2HB TYR 84 1.643 8.827 -0.236 640 HD1 TYR 84 2HD TYR 84 2.419 5.154 -0.497 641 HD2 TYR 84 1HD TYR 84 3.932 9.148 -0.238 642 HE1 TYR 84 2HE TYR 84 4.800 4.262 -0.531 643 HE2 TYR 84 1HE TYR 84 6.308 8.242 -0.273 644 HH TYR 84 HH TYR 84 6.905 4.750 -0.273 645 H ARG 85 H ARG 85 0.494 9.361 2.116 646 HA ARG 85 HA ARG 85 -2.367 9.397 1.798 647 HB2 ARG 85 1HB ARG 85 -0.795 9.977 3.954 648 HB3 ARG 85 2HB ARG 85 -0.927 11.588 3.275 649 HG2 ARG 85 1HG ARG 85 -3.531 10.223 3.291 650 HG3 ARG 85 2HG ARG 85 -2.834 10.280 4.898 651 HD2 ARG 85 1HD ARG 85 -2.989 12.745 3.107 652 HD3 ARG 85 2HD ARG 85 -4.284 12.302 4.201 653 HE ARG 85 HE ARG 85 -1.716 12.351 5.563 654 HH11 ARG 85 2HH2 ARG 85 -4.325 14.400 4.391 655 HH12 ARG 85 1HH2 ARG 85 -4.011 15.669 5.528 656 HH21 ARG 85 2HH1 ARG 85 -1.301 14.024 7.064 657 HH22 ARG 85 1HH1 ARG 85 -2.279 15.453 7.058 658 H LYS 86 H LYS 86 -3.387 10.715 0.307 659 HA LYS 86 HA LYS 86 -1.861 12.217 -1.510 660 HB2 LYS 86 1HB LYS 86 -4.815 11.907 -0.979 661 HB3 LYS 86 2HB LYS 86 -4.224 13.036 -2.182 662 HG2 LYS 86 1HG LYS 86 -2.754 10.821 -2.858 663 HG3 LYS 86 2HG LYS 86 -4.180 10.043 -2.201 664 HD2 LYS 86 1HD LYS 86 -5.005 10.333 -4.324 665 HD3 LYS 86 2HD LYS 86 -5.391 11.941 -3.745 666 HE2 LYS 86 1HE LYS 86 -3.138 12.739 -4.589 667 HE3 LYS 86 2HE LYS 86 -2.856 11.142 -5.253 668 HZ1 LYS 86 1HZ LYS 86 -3.770 12.588 -6.900 669 HZ2 LYS 86 2HZ LYS 86 -4.862 11.420 -6.571 670 HZ3 LYS 86 3HZ LYS 86 -5.075 12.926 -5.978 671 H ASP 87 H ASP 87 -0.819 14.083 -1.085 672 HA ASP 87 HA ASP 87 -1.911 15.746 1.012 673 HB2 ASP 87 1HB ASP 87 0.725 15.092 0.062 674 HB3 ASP 87 2HB ASP 87 0.502 16.811 -0.194 675 H LEU 88 H LEU 88 -0.804 18.264 0.134 676 HA LEU 88 HA LEU 88 -2.615 18.828 -2.079 677 HB2 LEU 88 1HB LEU 88 -1.719 21.240 -1.237 678 HB3 LEU 88 2HB LEU 88 -3.167 20.438 -0.662 679 HG LEU 88 HG LEU 88 -0.476 20.140 0.690 680 HD11 LEU 88 1HD1 LEU 88 -2.167 22.454 0.611 681 HD12 LEU 88 2HD1 LEU 88 -2.188 21.766 2.253 682 HD13 LEU 88 3HD1 LEU 88 -0.639 22.201 1.489 683 HD21 LEU 88 1HD2 LEU 88 -2.871 19.859 2.324 684 HD22 LEU 88 2HD2 LEU 88 -2.830 18.695 0.978 685 HD23 LEU 88 3HD2 LEU 88 -1.476 18.769 2.131 686 H ALA 89 H ALA 89 0.369 17.639 -1.921 687 HA ALA 89 HA ALA 89 1.336 19.387 -4.079 688 HB1 ALA 89 1HB ALA 89 3.434 17.904 -2.712 689 HB2 ALA 89 2HB ALA 89 3.285 19.656 -2.989 690 HB3 ALA 89 3HB ALA 89 2.518 18.911 -1.565 691 H ASP 90 H ASP 90 2.203 18.343 -5.913 692 HA ASP 90 HA ASP 90 1.076 16.143 -6.803 693 HB2 ASP 90 1HB ASP 90 3.837 17.288 -7.247 694 HB3 ASP 90 2HB ASP 90 3.443 15.761 -8.012 695 H THR 91 H THR 91 4.029 16.348 -4.733 696 HA THR 91 HA THR 91 4.766 13.658 -4.822 697 HB THR 91 HB THR 91 5.801 14.383 -2.509 698 HG1 THR 91 1HG THR 91 5.483 16.654 -2.151 699 HG21 THR 91 1HG2 THR 91 7.139 14.542 -4.604 700 HG22 THR 91 2HG2 THR 91 6.308 16.059 -5.025 701 HG23 THR 91 3HG2 THR 91 7.383 15.996 -3.608 702 H LEU 92 H LEU 92 4.726 12.175 -2.820 703 HA LEU 92 HA LEU 92 1.979 12.202 -1.776 704 HB2 LEU 92 1HB LEU 92 3.538 10.120 -3.152 705 HB3 LEU 92 2HB LEU 92 2.743 9.582 -1.686 706 HG LEU 92 HG LEU 92 1.399 10.876 -4.074 707 HD11 LEU 92 1HD1 LEU 92 1.223 8.843 -4.936 708 HD12 LEU 92 2HD1 LEU 92 2.178 8.187 -3.584 709 HD13 LEU 92 3HD1 LEU 92 0.404 8.269 -3.462 710 HD21 LEU 92 1HD2 LEU 92 -0.409 9.609 -2.218 711 HD22 LEU 92 2HD2 LEU 92 0.547 10.865 -1.396 712 HD23 LEU 92 3HD2 LEU 92 -0.403 11.275 -2.844 713 H ASN 93 H ASN 93 5.369 11.039 -1.204 714 HA ASN 93 HA ASN 93 6.554 10.890 0.604 715 HB2 ASN 93 1HB ASN 93 4.477 12.732 1.903 716 HB3 ASN 93 2HB ASN 93 6.067 12.392 2.557 717 HD21 ASN 93 1HD2 ASN 93 4.250 13.934 0.005 718 HD22 ASN 93 2HD2 ASN 93 5.496 14.980 -0.591 719 HA PRO 94 HA PRO 94 4.447 7.779 2.882 720 HB2 PRO 94 1HB PRO 94 6.416 7.044 4.630 721 HB3 PRO 94 2HB PRO 94 6.334 6.463 2.979 722 HG2 PRO 94 1HG PRO 94 8.147 8.487 4.143 723 HG3 PRO 94 2HG PRO 94 8.316 7.594 2.644 724 HD2 PRO 94 1HD PRO 94 7.498 10.329 2.930 725 HD3 PRO 94 2HD PRO 94 7.556 9.402 1.444 726 H PHE 95 H PHE 95 4.576 7.008 5.505 727 HA PHE 95 HA PHE 95 3.431 9.415 6.717 728 HB2 PHE 95 1HB PHE 95 3.070 6.395 6.918 729 HB3 PHE 95 2HB PHE 95 2.629 7.368 8.307 730 HD1 PHE 95 1HD PHE 95 1.101 9.483 7.669 731 HD2 PHE 95 2HD PHE 95 1.408 5.909 5.401 732 HE1 PHE 95 1HE PHE 95 -1.137 9.948 6.632 733 HE2 PHE 95 2HE PHE 95 -0.830 6.375 4.365 734 HZ PHE 95 HZ PHE 95 -2.076 8.389 4.993 735 H ALA 96 H ALA 96 3.483 8.854 9.382 736 HA ALA 96 HA ALA 96 6.358 8.557 9.927 737 HB1 ALA 96 1HB ALA 96 6.180 10.658 10.723 738 HB2 ALA 96 2HB ALA 96 4.406 10.634 10.584 739 HB3 ALA 96 3HB ALA 96 5.194 9.979 12.040 740 H GLU 97 H GLU 97 3.041 8.239 11.385 741 HA GLU 97 HA GLU 97 3.469 5.606 12.120 742 HB2 GLU 97 1HB GLU 97 4.652 7.507 13.939 743 HB3 GLU 97 2HB GLU 97 3.286 6.763 14.747 744 HG2 GLU 97 1HG GLU 97 4.346 4.520 13.682 745 HG3 GLU 97 2HG GLU 97 5.810 5.484 13.710 746 H ASN 98 H ASN 98 1.977 8.619 13.522 747 HA ASN 98 HA ASN 98 -0.060 9.002 14.224 748 HB2 ASN 98 1HB ASN 98 -0.312 7.960 11.416 749 HB3 ASN 98 2HB ASN 98 -1.814 8.111 12.306 750 HD21 ASN 98 1HD2 ASN 98 -2.115 10.197 13.505 751 HD22 ASN 98 2HD2 ASN 98 -1.657 11.666 12.708 752 H SER 99 H SER 99 -0.158 7.502 16.057 753 HA SER 99 HA SER 99 -2.261 5.735 15.980 754 HB2 SER 99 1HB SER 99 0.264 4.568 15.093 755 HB3 SER 99 2HB SER 99 -0.278 3.786 16.565 756 HG SER 99 HG SER 99 -1.092 3.049 14.289 757 H GLY 100 H GLY 100 -2.295 4.360 18.127 758 HA2 GLY 100 1HA GLY 100 -0.837 5.880 20.207 759 HA3 GLY 100 2HA GLY 100 -2.489 5.317 20.370 760 HA PRO 101 HA PRO 101 0.326 2.082 21.982 761 HB2 PRO 101 1HB PRO 101 -0.395 2.158 24.617 762 HB3 PRO 101 2HB PRO 101 1.001 3.005 23.981 763 HG2 PRO 101 1HG PRO 101 -1.620 4.103 24.794 764 HG3 PRO 101 2HG PRO 101 -0.100 4.945 24.567 765 HD2 PRO 101 1HD PRO 101 -2.337 4.928 22.771 766 HD3 PRO 101 2HD PRO 101 -0.775 5.673 22.493 767 H SER 102 H SER 102 -0.114 -0.098 22.677 768 HA SER 102 HA SER 102 -2.924 -0.618 22.992 769 HB2 SER 102 1HB SER 102 -1.521 -1.037 20.472 770 HB3 SER 102 2HB SER 102 -2.067 -2.575 21.111 771 HG SER 102 HG SER 102 -3.918 -0.412 21.184 772 H SER 103 H SER 103 -3.324 -2.684 24.018 773 HA SER 103 HA SER 103 -2.795 -4.100 25.615 774 HB2 SER 103 1HB SER 103 -2.376 -5.240 23.279 775 HB3 SER 103 2HB SER 103 -0.685 -5.203 23.739 776 HG SER 103 HG SER 103 -1.030 -6.904 24.978 777 H GLY 104 H GLY 104 -1.843 -2.802 27.269 778 HA2 GLY 104 1HA GLY 104 -0.214 -2.354 28.768 779 HA3 GLY 104 2HA GLY 104 0.876 -3.401 27.881 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.769 -11.952 -21.792 2 HA2 GLY 1 1HA GLY 1 -9.704 -13.675 -19.634 3 HA3 GLY 1 2HA GLY 1 -10.928 -12.440 -19.410 4 H SER 2 H SER 2 -10.465 -15.736 -19.752 5 HA SER 2 HA SER 2 -13.251 -16.046 -20.473 6 HB2 SER 2 1HB SER 2 -11.758 -16.442 -22.516 7 HB3 SER 2 2HB SER 2 -11.076 -17.815 -21.667 8 HG SER 2 HG SER 2 -13.691 -17.469 -22.754 9 H SER 3 H SER 3 -10.222 -17.882 -19.607 10 HA SER 3 HA SER 3 -11.694 -19.778 -18.130 11 HB2 SER 3 1HB SER 3 -8.719 -19.147 -18.309 12 HB3 SER 3 2HB SER 3 -9.349 -20.471 -17.350 13 HG SER 3 HG SER 3 -9.993 -21.563 -19.169 14 H GLY 4 H GLY 4 -11.927 -19.982 -15.848 15 HA2 GLY 4 1HA GLY 4 -10.644 -18.719 -13.836 16 HA3 GLY 4 2HA GLY 4 -11.767 -17.493 -14.390 17 H SER 5 H SER 5 -13.004 -17.572 -12.427 18 HA SER 5 HA SER 5 -14.657 -18.206 -11.173 19 HB2 SER 5 1HB SER 5 -15.645 -18.756 -13.533 20 HB3 SER 5 2HB SER 5 -15.377 -20.434 -13.105 21 HG SER 5 HG SER 5 -16.956 -18.538 -11.582 22 H SER 6 H SER 6 -12.780 -18.975 -9.774 23 HA SER 6 HA SER 6 -13.381 -21.523 -8.798 24 HB2 SER 6 1HB SER 6 -11.742 -21.769 -10.952 25 HB3 SER 6 2HB SER 6 -10.527 -21.493 -9.719 26 HG SER 6 HG SER 6 -10.840 -23.468 -8.954 27 H GLY 7 H GLY 7 -11.235 -22.137 -7.220 28 HA2 GLY 7 1HA GLY 7 -11.258 -20.365 -5.156 29 HA3 GLY 7 2HA GLY 7 -9.953 -21.488 -5.482 30 H GLU 8 H GLU 8 -10.088 -18.557 -4.485 31 HA GLU 8 HA GLU 8 -7.987 -17.660 -6.268 32 HB2 GLU 8 1HB GLU 8 -10.394 -15.997 -5.416 33 HB3 GLU 8 2HB GLU 8 -8.936 -15.296 -6.092 34 HG2 GLU 8 1HG GLU 8 -9.299 -16.225 -8.219 35 HG3 GLU 8 2HG GLU 8 -10.237 -17.567 -7.595 36 H GLU 9 H GLU 9 -7.059 -18.796 -4.160 37 HA GLU 9 HA GLU 9 -7.177 -17.096 -1.862 38 HB2 GLU 9 1HB GLU 9 -5.931 -19.767 -2.516 39 HB3 GLU 9 2HB GLU 9 -5.349 -18.889 -1.116 40 HG2 GLU 9 1HG GLU 9 -7.602 -18.807 -0.149 41 HG3 GLU 9 2HG GLU 9 -8.304 -19.480 -1.607 42 H ILE 10 H ILE 10 -5.933 -15.285 -1.704 43 HA ILE 10 HA ILE 10 -3.145 -15.417 -2.158 44 HB ILE 10 HB ILE 10 -4.355 -15.174 -4.495 45 HG12 ILE 10 1HG1 ILE 10 -2.227 -13.386 -4.795 46 HG13 ILE 10 2HG1 ILE 10 -1.786 -14.345 -3.396 47 HG21 ILE 10 1HG2 ILE 10 -3.984 -12.257 -3.880 48 HG22 ILE 10 2HG2 ILE 10 -4.892 -13.036 -5.197 49 HG23 ILE 10 3HG2 ILE 10 -5.535 -13.062 -3.538 50 HD11 ILE 10 1HD1 ILE 10 -0.990 -15.415 -5.481 51 HD12 ILE 10 2HD1 ILE 10 -2.207 -16.438 -4.680 52 HD13 ILE 10 3HD1 ILE 10 -2.657 -15.465 -6.101 53 H PHE 11 H PHE 11 -2.095 -13.304 -1.599 54 HA PHE 11 HA PHE 11 -3.930 -11.591 -0.087 55 HB2 PHE 11 1HB PHE 11 -1.438 -13.135 0.678 56 HB3 PHE 11 2HB PHE 11 -1.588 -11.530 1.365 57 HD1 PHE 11 1HD PHE 11 -3.523 -10.998 2.842 58 HD2 PHE 11 2HD PHE 11 -2.772 -14.943 1.471 59 HE1 PHE 11 1HE PHE 11 -5.016 -11.908 4.643 60 HE2 PHE 11 2HE PHE 11 -4.265 -15.853 3.273 61 HZ PHE 11 HZ PHE 11 -5.368 -14.325 4.837 62 H CYS 12 H CYS 12 -3.404 -9.370 -0.050 63 HA CYS 12 HA CYS 12 -1.283 -8.667 -1.937 64 HB2 CYS 12 1HB CYS 12 -3.479 -7.936 -2.673 65 HB3 CYS 12 2HB CYS 12 -3.788 -7.152 -1.137 66 HG CYS 12 HG CYS 12 -1.580 -5.597 -1.296 67 H HIS 13 H HIS 13 0.568 -8.340 -0.705 68 HA HIS 13 HA HIS 13 0.393 -7.353 1.951 69 HB2 HIS 13 1HB HIS 13 2.634 -8.041 0.062 70 HB3 HIS 13 2HB HIS 13 2.971 -7.206 1.566 71 HD1 HIS 13 1HD HIS 13 2.867 -10.511 0.253 72 HD2 HIS 13 2HD HIS 13 1.626 -8.773 3.864 73 HE1 HIS 13 1HE HIS 13 2.674 -12.419 1.936 74 H VAL 14 H VAL 14 0.124 -5.269 2.557 75 HA VAL 14 HA VAL 14 1.045 -3.220 0.660 76 HB VAL 14 HB VAL 14 -1.486 -3.554 2.195 77 HG11 VAL 14 1HG1 VAL 14 -1.006 -1.560 3.246 78 HG12 VAL 14 2HG1 VAL 14 0.006 -0.968 1.907 79 HG13 VAL 14 3HG1 VAL 14 -1.767 -0.965 1.751 80 HG21 VAL 14 1HG2 VAL 14 -2.358 -2.368 0.124 81 HG22 VAL 14 2HG2 VAL 14 -0.707 -2.487 -0.532 82 HG23 VAL 14 3HG2 VAL 14 -1.620 -3.966 -0.144 83 H TYR 15 H TYR 15 2.994 -2.578 1.483 84 HA TYR 15 HA TYR 15 3.443 -2.535 4.309 85 HB2 TYR 15 1HB TYR 15 4.843 -1.760 1.703 86 HB3 TYR 15 2HB TYR 15 5.551 -1.236 3.218 87 HD1 TYR 15 2HD TYR 15 3.826 -4.481 2.573 88 HD2 TYR 15 1HD TYR 15 7.551 -2.494 3.265 89 HE1 TYR 15 2HE TYR 15 4.989 -6.729 2.813 90 HE2 TYR 15 1HE TYR 15 8.701 -4.749 3.502 91 HH TYR 15 HH TYR 15 7.655 -7.231 4.260 92 H ILE 16 H ILE 16 3.131 -0.877 5.719 93 HA ILE 16 HA ILE 16 2.109 1.601 4.622 94 HB ILE 16 HB ILE 16 2.407 0.733 7.498 95 HG12 ILE 16 1HG1 ILE 16 -0.149 0.573 5.911 96 HG13 ILE 16 2HG1 ILE 16 0.994 -0.755 5.898 97 HG21 ILE 16 1HG2 ILE 16 2.146 3.096 7.374 98 HG22 ILE 16 2HG2 ILE 16 0.854 2.956 6.158 99 HG23 ILE 16 3HG2 ILE 16 0.566 2.412 7.828 100 HD11 ILE 16 1HD1 ILE 16 -0.973 -0.392 7.803 101 HD12 ILE 16 2HD1 ILE 16 0.492 -1.374 8.040 102 HD13 ILE 16 3HD1 ILE 16 0.448 0.310 8.613 103 H THR 17 H THR 17 4.734 0.520 6.890 104 HA THR 17 HA THR 17 6.169 2.983 6.136 105 HB THR 17 HB THR 17 6.976 3.082 8.413 106 HG1 THR 17 1HG THR 17 6.979 1.178 9.618 107 HG21 THR 17 1HG2 THR 17 4.942 2.967 9.832 108 HG22 THR 17 2HG2 THR 17 4.542 3.725 8.272 109 HG23 THR 17 3HG2 THR 17 4.103 2.027 8.575 110 H GLU 18 H GLU 18 8.404 1.632 7.880 111 HA GLU 18 HA GLU 18 9.600 0.416 5.578 112 HB2 GLU 18 1HB GLU 18 11.670 0.472 6.889 113 HB3 GLU 18 2HB GLU 18 10.867 2.027 6.987 114 HG2 GLU 18 1HG GLU 18 9.769 1.125 9.175 115 HG3 GLU 18 2HG GLU 18 10.958 -0.160 9.102 116 H HIS 19 H HIS 19 8.547 -0.486 8.906 117 HA HIS 19 HA HIS 19 8.800 -3.279 8.064 118 HB2 HIS 19 1HB HIS 19 9.247 -2.312 10.893 119 HB3 HIS 19 2HB HIS 19 9.528 -3.917 10.249 120 HD1 HIS 19 1HD HIS 19 11.655 -1.845 11.623 121 HD2 HIS 19 2HD HIS 19 11.319 -2.866 7.569 122 HE1 HIS 19 1HE HIS 19 13.934 -1.375 10.577 123 H SER 20 H SER 20 6.517 -1.543 7.703 124 HA SER 20 HA SER 20 4.709 -2.933 9.506 125 HB2 SER 20 1HB SER 20 4.211 -0.063 8.644 126 HB3 SER 20 2HB SER 20 3.394 -0.968 9.902 127 HG SER 20 HG SER 20 5.042 -0.635 11.298 128 H TYR 21 H TYR 21 2.691 -3.548 8.535 129 HA TYR 21 HA TYR 21 2.061 -2.641 5.887 130 HB2 TYR 21 1HB TYR 21 2.534 -4.741 4.797 131 HB3 TYR 21 2HB TYR 21 3.920 -4.538 5.850 132 HD1 TYR 21 2HD TYR 21 3.288 -5.458 8.414 133 HD2 TYR 21 1HD TYR 21 1.749 -6.912 4.696 134 HE1 TYR 21 2HE TYR 21 2.793 -7.708 9.490 135 HE2 TYR 21 1HE TYR 21 1.259 -9.157 5.785 136 HH TYR 21 HH TYR 21 2.528 -10.327 8.145 137 H VAL 22 H VAL 22 0.189 -4.334 5.040 138 HA VAL 22 HA VAL 22 -1.425 -5.156 7.314 139 HB VAL 22 HB VAL 22 -2.138 -2.913 7.078 140 HG11 VAL 22 1HG1 VAL 22 -1.489 -1.948 5.131 141 HG12 VAL 22 2HG1 VAL 22 -1.768 -3.425 4.177 142 HG13 VAL 22 3HG1 VAL 22 -3.138 -2.378 4.618 143 HG21 VAL 22 1HG2 VAL 22 -3.964 -4.974 5.871 144 HG22 VAL 22 2HG2 VAL 22 -4.058 -4.152 7.448 145 HG23 VAL 22 3HG2 VAL 22 -4.487 -3.274 5.960 146 H SER 23 H SER 23 -2.182 -7.164 6.899 147 HA SER 23 HA SER 23 -1.816 -8.236 4.313 148 HB2 SER 23 1HB SER 23 -2.330 -10.311 5.289 149 HB3 SER 23 2HB SER 23 -1.658 -9.413 6.636 150 HG SER 23 HG SER 23 -4.416 -10.029 6.082 151 H VAL 24 H VAL 24 -3.298 -8.405 2.645 152 HA VAL 24 HA VAL 24 -6.109 -7.921 3.326 153 HB VAL 24 HB VAL 24 -4.538 -6.716 1.040 154 HG11 VAL 24 1HG1 VAL 24 -7.485 -6.850 1.633 155 HG12 VAL 24 2HG1 VAL 24 -6.808 -5.438 0.786 156 HG13 VAL 24 3HG1 VAL 24 -6.626 -7.066 0.089 157 HG21 VAL 24 1HG2 VAL 24 -4.024 -5.195 2.624 158 HG22 VAL 24 2HG2 VAL 24 -5.697 -4.637 2.388 159 HG23 VAL 24 3HG2 VAL 24 -5.310 -5.751 3.721 160 H LYS 25 H LYS 25 -7.387 -9.564 2.653 161 HA LYS 25 HA LYS 25 -6.212 -11.479 0.807 162 HB2 LYS 25 1HB LYS 25 -7.332 -12.018 3.092 163 HB3 LYS 25 2HB LYS 25 -8.846 -11.792 2.239 164 HG2 LYS 25 1HG LYS 25 -8.228 -13.517 0.586 165 HG3 LYS 25 2HG LYS 25 -6.635 -13.679 1.298 166 HD2 LYS 25 1HD LYS 25 -8.078 -14.154 3.529 167 HD3 LYS 25 2HD LYS 25 -9.295 -14.621 2.358 168 HE2 LYS 25 1HE LYS 25 -6.742 -15.758 1.562 169 HE3 LYS 25 2HE LYS 25 -7.037 -16.148 3.245 170 HZ1 LYS 25 1HZ LYS 25 -9.408 -16.636 2.235 171 HZ2 LYS 25 2HZ LYS 25 -8.512 -16.953 0.907 172 HZ3 LYS 25 3HZ LYS 25 -8.232 -17.767 2.295 173 H ALA 26 H ALA 26 -6.375 -10.701 -1.270 174 HA ALA 26 HA ALA 26 -9.066 -9.847 -2.094 175 HB1 ALA 26 1HB ALA 26 -6.829 -9.210 -3.893 176 HB2 ALA 26 2HB ALA 26 -8.103 -8.153 -3.238 177 HB3 ALA 26 3HB ALA 26 -6.645 -8.492 -2.274 178 H LYS 27 H LYS 27 -9.116 -10.204 -4.730 179 HA LYS 27 HA LYS 27 -8.964 -13.070 -4.963 180 HB2 LYS 27 1HB LYS 27 -9.951 -11.017 -6.963 181 HB3 LYS 27 2HB LYS 27 -10.226 -12.747 -7.010 182 HG2 LYS 27 1HG LYS 27 -11.038 -11.271 -4.509 183 HG3 LYS 27 2HG LYS 27 -12.024 -11.047 -5.941 184 HD2 LYS 27 1HD LYS 27 -12.408 -13.465 -6.132 185 HD3 LYS 27 2HD LYS 27 -11.269 -13.794 -4.842 186 HE2 LYS 27 1HE LYS 27 -12.736 -12.483 -3.256 187 HE3 LYS 27 2HE LYS 27 -13.894 -12.256 -4.551 188 HZ1 LYS 27 1HZ LYS 27 -14.502 -14.131 -3.251 189 HZ2 LYS 27 2HZ LYS 27 -14.035 -14.677 -4.717 190 HZ3 LYS 27 3HZ LYS 27 -13.039 -14.834 -3.432 191 H VAL 28 H VAL 28 -8.245 -13.808 -7.366 192 HA VAL 28 HA VAL 28 -5.450 -13.257 -7.419 193 HB VAL 28 HB VAL 28 -5.391 -14.906 -9.163 194 HG11 VAL 28 1HG1 VAL 28 -6.019 -16.748 -7.909 195 HG12 VAL 28 2HG1 VAL 28 -5.955 -15.477 -6.663 196 HG13 VAL 28 3HG1 VAL 28 -7.522 -15.984 -7.338 197 HG21 VAL 28 1HG2 VAL 28 -7.099 -14.551 -10.662 198 HG22 VAL 28 2HG2 VAL 28 -7.752 -15.944 -9.767 199 HG23 VAL 28 3HG2 VAL 28 -8.317 -14.299 -9.388 200 H SER 29 H SER 29 -8.295 -11.845 -8.833 201 HA SER 29 HA SER 29 -6.554 -10.423 -10.693 202 HB2 SER 29 1HB SER 29 -8.201 -11.901 -11.850 203 HB3 SER 29 2HB SER 29 -9.515 -11.078 -11.032 204 HG SER 29 HG SER 29 -9.483 -9.744 -12.703 205 H SER 30 H SER 30 -7.581 -10.032 -7.757 206 HA SER 30 HA SER 30 -9.408 -7.957 -7.777 207 HB2 SER 30 1HB SER 30 -7.495 -9.162 -5.843 208 HB3 SER 30 2HB SER 30 -7.911 -7.494 -5.503 209 HG SER 30 HG SER 30 -9.725 -8.245 -4.670 210 H ILE 31 H ILE 31 -9.143 -5.650 -7.659 211 HA ILE 31 HA ILE 31 -6.694 -4.743 -8.916 212 HB ILE 31 HB ILE 31 -8.012 -2.562 -8.973 213 HG12 ILE 31 1HG1 ILE 31 -10.397 -4.332 -8.429 214 HG13 ILE 31 2HG1 ILE 31 -9.620 -3.418 -7.151 215 HG21 ILE 31 1HG2 ILE 31 -9.586 -3.606 -10.796 216 HG22 ILE 31 2HG2 ILE 31 -7.820 -3.587 -11.020 217 HG23 ILE 31 3HG2 ILE 31 -8.633 -5.076 -10.479 218 HD11 ILE 31 1HD1 ILE 31 -11.117 -2.405 -9.569 219 HD12 ILE 31 2HD1 ILE 31 -11.244 -1.895 -7.869 220 HD13 ILE 31 3HD1 ILE 31 -9.848 -1.385 -8.849 221 H ALA 32 H ALA 32 -5.706 -2.637 -8.078 222 HA ALA 32 HA ALA 32 -4.791 -3.043 -5.491 223 HB1 ALA 32 1HB ALA 32 -4.820 -0.321 -6.789 224 HB2 ALA 32 2HB ALA 32 -3.524 -1.121 -5.868 225 HB3 ALA 32 3HB ALA 32 -3.888 -1.644 -7.530 226 H GLN 33 H GLN 33 -7.471 -1.027 -6.796 227 HA GLN 33 HA GLN 33 -7.987 0.439 -4.557 228 HB2 GLN 33 1HB GLN 33 -9.130 0.995 -6.575 229 HB3 GLN 33 2HB GLN 33 -9.766 -0.626 -6.771 230 HG2 GLN 33 1HG GLN 33 -11.629 -0.064 -5.612 231 HG3 GLN 33 2HG GLN 33 -10.659 0.339 -4.209 232 HE21 GLN 33 1HE2 GLN 33 -9.375 2.476 -4.526 233 HE22 GLN 33 2HE2 GLN 33 -10.298 3.836 -5.073 234 H GLU 34 H GLU 34 -8.982 -2.916 -5.395 235 HA GLU 34 HA GLU 34 -10.793 -3.253 -3.347 236 HB2 GLU 34 1HB GLU 34 -9.042 -5.152 -4.931 237 HB3 GLU 34 2HB GLU 34 -10.057 -5.764 -3.640 238 HG2 GLU 34 1HG GLU 34 -12.069 -4.797 -4.716 239 HG3 GLU 34 2HG GLU 34 -11.082 -4.072 -5.969 240 H ILE 35 H ILE 35 -7.393 -2.757 -3.218 241 HA ILE 35 HA ILE 35 -7.218 -4.076 -0.608 242 HB ILE 35 HB ILE 35 -4.927 -2.964 -2.205 243 HG12 ILE 35 1HG1 ILE 35 -6.123 -4.473 -3.699 244 HG13 ILE 35 2HG1 ILE 35 -4.595 -5.170 -3.196 245 HG21 ILE 35 1HG2 ILE 35 -5.101 -4.007 0.357 246 HG22 ILE 35 2HG2 ILE 35 -4.512 -5.375 -0.618 247 HG23 ILE 35 3HG2 ILE 35 -3.624 -3.832 -0.621 248 HD11 ILE 35 1HD1 ILE 35 -6.981 -5.814 -1.493 249 HD12 ILE 35 2HD1 ILE 35 -6.913 -6.556 -3.110 250 HD13 ILE 35 3HD1 ILE 35 -5.597 -6.839 -1.945 251 H LEU 36 H LEU 36 -6.555 -0.976 -2.355 252 HA LEU 36 HA LEU 36 -5.748 0.463 -0.124 253 HB2 LEU 36 1HB LEU 36 -5.493 1.089 -2.520 254 HB3 LEU 36 2HB LEU 36 -7.201 1.476 -2.571 255 HG LEU 36 HG LEU 36 -6.641 3.089 -0.587 256 HD11 LEU 36 1HD1 LEU 36 -4.000 3.555 -1.760 257 HD12 LEU 36 2HD1 LEU 36 -4.516 3.521 -0.057 258 HD13 LEU 36 3HD1 LEU 36 -4.127 2.002 -0.899 259 HD21 LEU 36 1HD2 LEU 36 -6.098 3.495 -3.515 260 HD22 LEU 36 2HD2 LEU 36 -7.453 4.075 -2.518 261 HD23 LEU 36 3HD2 LEU 36 -5.845 4.819 -2.353 262 H LYS 37 H LYS 37 -9.006 -0.303 -1.421 263 HA LYS 37 HA LYS 37 -10.396 1.452 0.273 264 HB2 LYS 37 1HB LYS 37 -12.365 0.185 -0.397 265 HB3 LYS 37 2HB LYS 37 -11.348 0.532 -1.781 266 HG2 LYS 37 1HG LYS 37 -11.381 -1.689 -2.247 267 HG3 LYS 37 2HG LYS 37 -10.354 -1.926 -0.848 268 HD2 LYS 37 1HD LYS 37 -12.316 -2.246 0.607 269 HD3 LYS 37 2HD LYS 37 -13.404 -1.846 -0.708 270 HE2 LYS 37 1HE LYS 37 -11.469 -4.211 -0.758 271 HE3 LYS 37 2HE LYS 37 -13.154 -4.336 -0.292 272 HZ1 LYS 37 1HZ LYS 37 -12.245 -4.548 -2.790 273 HZ2 LYS 37 2HZ LYS 37 -13.791 -4.193 -2.399 274 HZ3 LYS 37 3HZ LYS 37 -12.749 -2.994 -2.778 275 H VAL 38 H VAL 38 -8.958 -1.759 0.707 276 HA VAL 38 HA VAL 38 -10.383 -2.184 3.182 277 HB VAL 38 HB VAL 38 -8.085 -3.753 2.010 278 HG11 VAL 38 1HG1 VAL 38 -8.398 -4.560 4.160 279 HG12 VAL 38 2HG1 VAL 38 -10.150 -4.246 4.140 280 HG13 VAL 38 3HG1 VAL 38 -9.481 -5.615 3.220 281 HG21 VAL 38 1HG2 VAL 38 -10.072 -3.359 0.423 282 HG22 VAL 38 2HG2 VAL 38 -9.567 -5.041 0.715 283 HG23 VAL 38 3HG2 VAL 38 -11.002 -4.387 1.540 284 H VAL 39 H VAL 39 -6.962 -1.623 2.100 285 HA VAL 39 HA VAL 39 -5.840 -1.527 4.620 286 HB VAL 39 HB VAL 39 -5.090 -0.012 2.111 287 HG11 VAL 39 1HG1 VAL 39 -3.565 0.963 3.440 288 HG12 VAL 39 2HG1 VAL 39 -3.865 -0.177 4.774 289 HG13 VAL 39 3HG1 VAL 39 -2.756 -0.623 3.455 290 HG21 VAL 39 1HG2 VAL 39 -4.797 -2.078 1.276 291 HG22 VAL 39 2HG2 VAL 39 -3.371 -2.153 2.337 292 HG23 VAL 39 3HG2 VAL 39 -4.919 -2.846 2.877 293 H ALA 40 H ALA 40 -7.155 1.181 2.588 294 HA ALA 40 HA ALA 40 -6.653 3.312 4.106 295 HB1 ALA 40 1HB ALA 40 -7.889 3.504 2.059 296 HB2 ALA 40 2HB ALA 40 -9.225 2.516 2.696 297 HB3 ALA 40 3HB ALA 40 -8.935 4.147 3.348 298 H GLU 41 H GLU 41 -9.256 0.876 4.730 299 HA GLU 41 HA GLU 41 -10.137 2.228 7.038 300 HB2 GLU 41 1HB GLU 41 -10.593 -0.711 6.405 301 HB3 GLU 41 2HB GLU 41 -11.623 0.357 7.337 302 HG2 GLU 41 1HG GLU 41 -11.282 1.605 4.784 303 HG3 GLU 41 2HG GLU 41 -11.587 -0.090 4.462 304 H LYS 42 H LYS 42 -7.928 -0.540 6.372 305 HA LYS 42 HA LYS 42 -7.560 -1.303 9.032 306 HB2 LYS 42 1HB LYS 42 -6.461 -1.931 6.421 307 HB3 LYS 42 2HB LYS 42 -5.189 -1.865 7.624 308 HG2 LYS 42 1HG LYS 42 -6.167 -4.140 7.497 309 HG3 LYS 42 2HG LYS 42 -6.429 -3.435 9.080 310 HD2 LYS 42 1HD LYS 42 -8.526 -4.426 8.427 311 HD3 LYS 42 2HD LYS 42 -8.737 -2.692 8.284 312 HE2 LYS 42 1HE LYS 42 -7.839 -3.227 5.762 313 HE3 LYS 42 2HE LYS 42 -8.580 -4.772 6.126 314 HZ1 LYS 42 1HZ LYS 42 -10.585 -3.873 6.012 315 HZ2 LYS 42 2HZ LYS 42 -10.191 -2.560 6.899 316 HZ3 LYS 42 3HZ LYS 42 -9.886 -2.584 5.294 317 H ILE 43 H ILE 43 -6.599 1.538 7.297 318 HA ILE 43 HA ILE 43 -4.608 2.112 9.379 319 HB ILE 43 HB ILE 43 -3.354 3.278 7.887 320 HG12 ILE 43 1HG1 ILE 43 -5.755 3.645 6.071 321 HG13 ILE 43 2HG1 ILE 43 -5.183 4.826 7.232 322 HG21 ILE 43 1HG2 ILE 43 -4.440 1.674 5.658 323 HG22 ILE 43 2HG2 ILE 43 -2.796 1.749 6.336 324 HG23 ILE 43 3HG2 ILE 43 -4.044 0.763 7.135 325 HD11 ILE 43 1HD1 ILE 43 -4.038 4.050 4.595 326 HD12 ILE 43 2HD1 ILE 43 -3.960 5.606 5.457 327 HD13 ILE 43 3HD1 ILE 43 -2.844 4.290 5.894 328 H GLN 44 H GLN 44 -7.776 2.734 8.222 329 HA GLN 44 HA GLN 44 -9.331 4.075 8.946 330 HB2 GLN 44 1HB GLN 44 -7.344 5.360 10.864 331 HB3 GLN 44 2HB GLN 44 -9.092 5.380 10.987 332 HG2 GLN 44 1HG GLN 44 -8.957 2.786 11.076 333 HG3 GLN 44 2HG GLN 44 -7.234 2.990 11.321 334 HE21 GLN 44 1HE2 GLN 44 -6.471 4.130 13.150 335 HE22 GLN 44 2HE2 GLN 44 -7.406 4.254 14.603 336 H TYR 45 H TYR 45 -8.542 4.790 6.592 337 HA TYR 45 HA TYR 45 -8.349 7.696 6.724 338 HB2 TYR 45 1HB TYR 45 -6.293 5.753 5.910 339 HB3 TYR 45 2HB TYR 45 -6.780 6.683 4.507 340 HD1 TYR 45 1HD TYR 45 -6.452 9.150 4.460 341 HD2 TYR 45 2HD TYR 45 -5.016 6.754 7.700 342 HE1 TYR 45 1HE TYR 45 -4.931 11.048 5.199 343 HE2 TYR 45 2HE TYR 45 -3.500 8.660 8.429 344 HH TYR 45 HH TYR 45 -2.982 11.414 6.432 345 H ALA 46 H ALA 46 -8.069 8.098 3.916 346 HA ALA 46 HA ALA 46 -10.576 6.878 2.978 347 HB1 ALA 46 1HB ALA 46 -11.225 8.920 2.122 348 HB2 ALA 46 2HB ALA 46 -10.262 9.481 3.511 349 HB3 ALA 46 3HB ALA 46 -9.551 9.474 1.879 350 H GLU 47 H GLU 47 -10.032 5.235 1.614 351 HA GLU 47 HA GLU 47 -7.679 4.836 0.409 352 HB2 GLU 47 1HB GLU 47 -8.982 3.478 -1.296 353 HB3 GLU 47 2HB GLU 47 -9.364 3.121 0.377 354 HG2 GLU 47 1HG GLU 47 -11.395 4.488 0.276 355 HG3 GLU 47 2HG GLU 47 -10.972 5.089 -1.314 356 H GLU 48 H GLU 48 -10.398 6.878 -0.767 357 HA GLU 48 HA GLU 48 -9.380 7.338 -3.293 358 HB2 GLU 48 1HB GLU 48 -10.845 9.438 -3.171 359 HB3 GLU 48 2HB GLU 48 -11.657 7.913 -2.877 360 HG2 GLU 48 1HG GLU 48 -11.751 8.276 -0.513 361 HG3 GLU 48 2HG GLU 48 -10.518 9.520 -0.563 362 H ASP 49 H ASP 49 -8.635 8.766 -0.115 363 HA ASP 49 HA ASP 49 -7.126 10.878 -1.319 364 HB2 ASP 49 1HB ASP 49 -7.452 9.960 1.576 365 HB3 ASP 49 2HB ASP 49 -6.523 11.370 1.106 366 H LEU 50 H LEU 50 -6.697 7.576 -0.784 367 HA LEU 50 HA LEU 50 -3.833 7.871 -0.217 368 HB2 LEU 50 1HB LEU 50 -5.677 5.503 0.128 369 HB3 LEU 50 2HB LEU 50 -3.945 5.470 0.392 370 HG LEU 50 HG LEU 50 -5.968 7.101 1.950 371 HD11 LEU 50 1HD1 LEU 50 -5.140 5.629 3.844 372 HD12 LEU 50 2HD1 LEU 50 -6.161 4.844 2.615 373 HD13 LEU 50 3HD1 LEU 50 -4.397 4.602 2.594 374 HD21 LEU 50 1HD2 LEU 50 -4.003 8.423 1.859 375 HD22 LEU 50 2HD2 LEU 50 -3.993 7.606 3.440 376 HD23 LEU 50 3HD2 LEU 50 -2.951 7.012 2.124 377 H ALA 51 H ALA 51 -2.676 5.727 -1.290 378 HA ALA 51 HA ALA 51 -3.672 5.040 -3.854 379 HB1 ALA 51 1HB ALA 51 -1.497 6.196 -4.901 380 HB2 ALA 51 2HB ALA 51 -3.047 7.061 -4.772 381 HB3 ALA 51 3HB ALA 51 -1.769 7.339 -3.565 382 H LEU 52 H LEU 52 -2.397 3.354 -4.807 383 HA LEU 52 HA LEU 52 -0.719 2.048 -2.860 384 HB2 LEU 52 1HB LEU 52 -1.822 1.259 -5.552 385 HB3 LEU 52 2HB LEU 52 -0.694 0.257 -4.660 386 HG LEU 52 HG LEU 52 -2.567 -0.710 -3.881 387 HD11 LEU 52 1HD1 LEU 52 -2.594 1.781 -2.154 388 HD12 LEU 52 2HD1 LEU 52 -3.403 0.242 -1.773 389 HD13 LEU 52 3HD1 LEU 52 -1.628 0.310 -1.885 390 HD21 LEU 52 1HD2 LEU 52 -4.743 0.045 -4.137 391 HD22 LEU 52 2HD2 LEU 52 -4.281 1.758 -3.988 392 HD23 LEU 52 3HD2 LEU 52 -3.890 0.857 -5.473 393 H VAL 53 H VAL 53 1.403 2.507 -2.689 394 HA VAL 53 HA VAL 53 2.739 3.551 -5.073 395 HB VAL 53 HB VAL 53 3.196 3.752 -2.113 396 HG11 VAL 53 1HG1 VAL 53 5.372 4.884 -2.612 397 HG12 VAL 53 2HG1 VAL 53 5.374 3.135 -2.946 398 HG13 VAL 53 3HG1 VAL 53 5.242 4.298 -4.288 399 HG21 VAL 53 1HG2 VAL 53 3.582 6.221 -3.036 400 HG22 VAL 53 2HG2 VAL 53 2.597 5.603 -4.384 401 HG23 VAL 53 3HG2 VAL 53 1.953 5.576 -2.725 402 H ALA 54 H ALA 54 3.868 2.126 -6.281 403 HA ALA 54 HA ALA 54 4.819 -0.299 -4.937 404 HB1 ALA 54 1HB ALA 54 4.631 -1.379 -7.016 405 HB2 ALA 54 2HB ALA 54 3.231 -0.280 -7.006 406 HB3 ALA 54 3HB ALA 54 4.693 0.150 -7.925 407 H ILE 55 H ILE 55 6.866 -0.031 -4.172 408 HA ILE 55 HA ILE 55 8.663 1.735 -5.591 409 HB ILE 55 HB ILE 55 9.160 0.102 -3.103 410 HG12 ILE 55 1HG1 ILE 55 7.747 2.728 -3.482 411 HG13 ILE 55 2HG1 ILE 55 7.304 1.363 -2.477 412 HG21 ILE 55 1HG2 ILE 55 11.156 0.982 -4.276 413 HG22 ILE 55 2HG2 ILE 55 10.496 2.627 -4.114 414 HG23 ILE 55 3HG2 ILE 55 10.922 1.692 -2.661 415 HD11 ILE 55 1HD1 ILE 55 8.180 3.273 -1.130 416 HD12 ILE 55 2HD1 ILE 55 9.191 1.819 -0.950 417 HD13 ILE 55 3HD1 ILE 55 9.730 3.154 -1.997 418 H THR 56 H THR 56 10.874 1.003 -6.203 419 HA THR 56 HA THR 56 10.740 -1.753 -7.227 420 HB THR 56 HB THR 56 10.804 0.067 -8.938 421 HG1 THR 56 1HG THR 56 13.415 -1.204 -8.557 422 HG21 THR 56 1HG2 THR 56 12.078 1.793 -7.637 423 HG22 THR 56 2HG2 THR 56 13.500 0.723 -7.636 424 HG23 THR 56 3HG2 THR 56 12.899 1.403 -9.167 425 H PHE 57 H PHE 57 12.975 -2.789 -7.521 426 HA PHE 57 HA PHE 57 14.047 -3.287 -5.077 427 HB2 PHE 57 1HB PHE 57 14.364 -4.144 -7.671 428 HB3 PHE 57 2HB PHE 57 15.844 -3.217 -7.519 429 HD1 PHE 57 1HD PHE 57 13.933 -5.733 -5.514 430 HD2 PHE 57 2HD PHE 57 17.716 -4.388 -6.888 431 HE1 PHE 57 1HE PHE 57 15.038 -7.681 -4.380 432 HE2 PHE 57 2HE PHE 57 18.821 -6.337 -5.754 433 HZ PHE 57 HZ PHE 57 17.468 -7.960 -4.514 434 H SER 58 H SER 58 15.584 -1.187 -7.627 435 HA SER 58 HA SER 58 17.718 -0.341 -6.327 436 HB2 SER 58 1HB SER 58 15.785 1.285 -8.025 437 HB3 SER 58 2HB SER 58 17.330 1.926 -7.501 438 HG SER 58 HG SER 58 18.282 -0.089 -8.515 439 H GLY 59 H GLY 59 14.611 1.566 -6.217 440 HA2 GLY 59 1HA GLY 59 13.954 1.842 -3.723 441 HA3 GLY 59 2HA GLY 59 15.479 2.703 -3.650 442 H GLU 60 H GLU 60 12.383 2.565 -5.536 443 HA GLU 60 HA GLU 60 12.270 5.425 -5.378 444 HB2 GLU 60 1HB GLU 60 12.540 3.942 -8.017 445 HB3 GLU 60 2HB GLU 60 11.770 5.514 -7.928 446 HG2 GLU 60 1HG GLU 60 13.898 6.337 -6.709 447 HG3 GLU 60 2HG GLU 60 14.639 4.818 -7.173 448 H LYS 61 H LYS 61 10.158 6.075 -5.082 449 HA LYS 61 HA LYS 61 8.170 4.050 -4.933 450 HB2 LYS 61 1HB LYS 61 8.190 7.039 -4.498 451 HB3 LYS 61 2HB LYS 61 6.707 6.109 -4.424 452 HG2 LYS 61 1HG LYS 61 7.214 5.578 -2.279 453 HG3 LYS 61 2HG LYS 61 8.552 4.618 -2.879 454 HD2 LYS 61 1HD LYS 61 9.438 7.331 -2.971 455 HD3 LYS 61 2HD LYS 61 8.620 7.147 -1.432 456 HE2 LYS 61 1HE LYS 61 10.834 6.478 -0.933 457 HE3 LYS 61 2HE LYS 61 10.010 4.949 -1.163 458 HZ1 LYS 61 1HZ LYS 61 11.199 6.191 -3.494 459 HZ2 LYS 61 2HZ LYS 61 12.208 5.509 -2.405 460 HZ3 LYS 61 3HZ LYS 61 11.051 4.607 -3.123 461 H HIS 62 H HIS 62 6.180 3.926 -6.155 462 HA HIS 62 HA HIS 62 6.054 5.479 -8.575 463 HB2 HIS 62 1HB HIS 62 7.327 2.962 -8.615 464 HB3 HIS 62 2HB HIS 62 5.737 2.694 -9.302 465 HD1 HIS 62 1HD HIS 62 8.530 5.304 -9.735 466 HD2 HIS 62 2HD HIS 62 5.705 3.166 -11.982 467 HE1 HIS 62 1HE HIS 62 8.911 5.959 -12.172 468 H GLU 63 H GLU 63 3.969 6.122 -8.724 469 HA GLU 63 HA GLU 63 2.020 4.568 -7.273 470 HB2 GLU 63 1HB GLU 63 2.377 7.218 -7.309 471 HB3 GLU 63 2HB GLU 63 1.351 7.125 -8.726 472 HG2 GLU 63 1HG GLU 63 0.158 5.452 -6.715 473 HG3 GLU 63 2HG GLU 63 0.593 6.959 -5.934 474 H LEU 64 H LEU 64 -0.003 3.848 -8.249 475 HA LEU 64 HA LEU 64 0.081 3.758 -11.178 476 HB2 LEU 64 1HB LEU 64 -0.973 1.370 -9.805 477 HB3 LEU 64 2HB LEU 64 -0.072 1.517 -11.301 478 HG LEU 64 HG LEU 64 1.901 2.141 -9.587 479 HD11 LEU 64 1HD1 LEU 64 -0.203 1.089 -7.900 480 HD12 LEU 64 2HD1 LEU 64 1.251 0.065 -7.827 481 HD13 LEU 64 3HD1 LEU 64 1.366 1.802 -7.459 482 HD21 LEU 64 1HD2 LEU 64 2.577 0.460 -10.904 483 HD22 LEU 64 2HD2 LEU 64 2.102 -0.585 -9.543 484 HD23 LEU 64 3HD2 LEU 64 0.979 -0.324 -10.899 485 H GLN 65 H GLN 65 -2.360 2.167 -11.327 486 HA GLN 65 HA GLN 65 -4.175 4.271 -10.480 487 HB2 GLN 65 1HB GLN 65 -4.123 2.316 -12.760 488 HB3 GLN 65 2HB GLN 65 -5.697 2.798 -12.158 489 HG2 GLN 65 1HG GLN 65 -4.029 5.161 -12.374 490 HG3 GLN 65 2HG GLN 65 -3.937 4.273 -13.883 491 HE21 GLN 65 1HE2 GLN 65 -6.015 5.900 -11.598 492 HE22 GLN 65 2HE2 GLN 65 -7.400 6.103 -12.619 493 HA PRO 66 HA PRO 66 -6.286 1.576 -7.811 494 HB2 PRO 66 1HB PRO 66 -8.915 2.271 -8.078 495 HB3 PRO 66 2HB PRO 66 -7.768 3.204 -7.137 496 HG2 PRO 66 1HG PRO 66 -8.904 3.804 -9.800 497 HG3 PRO 66 2HG PRO 66 -8.112 4.889 -8.675 498 HD2 PRO 66 1HD PRO 66 -6.980 3.763 -11.058 499 HD3 PRO 66 2HD PRO 66 -6.154 4.754 -9.872 500 H ASN 67 H ASN 67 -6.501 1.156 -11.045 501 HA ASN 67 HA ASN 67 -7.749 -1.421 -10.562 502 HB2 ASN 67 1HB ASN 67 -9.111 0.578 -11.877 503 HB3 ASN 67 2HB ASN 67 -8.260 -0.140 -13.230 504 HD21 ASN 67 1HD2 ASN 67 -8.306 -2.578 -13.302 505 HD22 ASN 67 2HD2 ASN 67 -9.816 -3.362 -12.976 506 H ASP 68 H ASP 68 -4.974 -0.961 -10.606 507 HA ASP 68 HA ASP 68 -4.122 -1.429 -13.323 508 HB2 ASP 68 1HB ASP 68 -2.931 0.190 -11.756 509 HB3 ASP 68 2HB ASP 68 -2.464 -1.182 -10.770 510 H LEU 69 H LEU 69 -5.067 -3.116 -10.477 511 HA LEU 69 HA LEU 69 -5.211 -5.324 -10.141 512 HB2 LEU 69 1HB LEU 69 -4.445 -5.301 -12.776 513 HB3 LEU 69 2HB LEU 69 -3.155 -6.225 -12.031 514 HG LEU 69 HG LEU 69 -4.830 -7.741 -12.822 515 HD11 LEU 69 1HD1 LEU 69 -4.544 -7.433 -9.861 516 HD12 LEU 69 2HD1 LEU 69 -5.674 -8.654 -10.495 517 HD13 LEU 69 3HD1 LEU 69 -3.953 -8.715 -10.945 518 HD21 LEU 69 1HD2 LEU 69 -6.808 -6.090 -11.231 519 HD22 LEU 69 2HD2 LEU 69 -6.747 -6.319 -12.995 520 HD23 LEU 69 3HD2 LEU 69 -7.166 -7.686 -11.935 521 H VAL 70 H VAL 70 -4.306 -6.253 -8.367 522 HA VAL 70 HA VAL 70 -1.519 -5.511 -7.827 523 HB VAL 70 HB VAL 70 -2.474 -6.355 -5.454 524 HG11 VAL 70 1HG1 VAL 70 -1.325 -4.242 -5.852 525 HG12 VAL 70 2HG1 VAL 70 -2.779 -3.571 -6.630 526 HG13 VAL 70 3HG1 VAL 70 -2.801 -3.967 -4.895 527 HG21 VAL 70 1HG2 VAL 70 -4.751 -5.454 -5.135 528 HG22 VAL 70 2HG2 VAL 70 -4.861 -5.136 -6.883 529 HG23 VAL 70 3HG2 VAL 70 -4.724 -6.808 -6.290 530 H ILE 71 H ILE 71 -1.862 -7.559 -9.666 531 HA ILE 71 HA ILE 71 -0.389 -9.599 -8.552 532 HB ILE 71 HB ILE 71 -2.154 -10.316 -7.209 533 HG12 ILE 71 1HG1 ILE 71 -2.839 -12.213 -9.350 534 HG13 ILE 71 2HG1 ILE 71 -1.116 -11.950 -9.172 535 HG21 ILE 71 1HG2 ILE 71 -3.920 -8.953 -8.278 536 HG22 ILE 71 2HG2 ILE 71 -4.032 -10.160 -9.581 537 HG23 ILE 71 3HG2 ILE 71 -4.446 -10.613 -7.911 538 HD11 ILE 71 1HD1 ILE 71 -1.036 -12.927 -7.091 539 HD12 ILE 71 2HD1 ILE 71 -2.624 -12.278 -6.614 540 HD13 ILE 71 3HD1 ILE 71 -2.528 -13.721 -7.652 541 H SER 72 H SER 72 -0.067 -8.101 -10.781 542 HA SER 72 HA SER 72 0.183 -10.014 -12.740 543 HB2 SER 72 1HB SER 72 -2.351 -8.404 -12.864 544 HB3 SER 72 2HB SER 72 -1.501 -8.669 -14.374 545 HG SER 72 HG SER 72 -2.572 -10.644 -12.561 546 H LYS 73 H LYS 73 2.229 -9.154 -13.128 547 HA LYS 73 HA LYS 73 2.283 -6.608 -14.491 548 HB2 LYS 73 1HB LYS 73 2.522 -6.096 -12.029 549 HB3 LYS 73 2HB LYS 73 4.012 -7.017 -12.038 550 HG2 LYS 73 1HG LYS 73 4.708 -4.766 -12.397 551 HG3 LYS 73 2HG LYS 73 4.783 -5.501 -13.986 552 HD2 LYS 73 1HD LYS 73 2.110 -4.536 -13.700 553 HD3 LYS 73 2HD LYS 73 3.146 -3.265 -13.080 554 HE2 LYS 73 1HE LYS 73 4.058 -2.811 -15.146 555 HE3 LYS 73 2HE LYS 73 4.125 -4.500 -15.606 556 HZ1 LYS 73 1HZ LYS 73 2.356 -4.076 -16.826 557 HZ2 LYS 73 2HZ LYS 73 1.473 -3.911 -15.462 558 HZ3 LYS 73 3HZ LYS 73 2.131 -2.596 -16.173 559 H SER 74 H SER 74 2.500 -9.071 -15.654 560 HA SER 74 HA SER 74 3.831 -10.509 -16.648 561 HB2 SER 74 1HB SER 74 4.786 -7.763 -17.291 562 HB3 SER 74 2HB SER 74 5.902 -9.042 -17.726 563 HG SER 74 HG SER 74 4.592 -8.878 -19.505 564 H LEU 75 H LEU 75 4.387 -10.503 -13.866 565 HA LEU 75 HA LEU 75 7.012 -11.586 -13.892 566 HB2 LEU 75 1HB LEU 75 6.634 -8.813 -13.034 567 HB3 LEU 75 2HB LEU 75 7.390 -9.818 -11.814 568 HG LEU 75 HG LEU 75 8.700 -10.410 -14.259 569 HD11 LEU 75 1HD1 LEU 75 7.577 -8.091 -14.816 570 HD12 LEU 75 2HD1 LEU 75 8.927 -7.456 -13.845 571 HD13 LEU 75 3HD1 LEU 75 9.257 -8.442 -15.290 572 HD21 LEU 75 1HD2 LEU 75 10.510 -8.934 -12.922 573 HD22 LEU 75 2HD2 LEU 75 9.351 -9.250 -11.608 574 HD23 LEU 75 3HD2 LEU 75 10.089 -10.609 -12.489 575 H GLU 76 H GLU 76 4.389 -10.174 -11.823 576 HA GLU 76 HA GLU 76 3.243 -11.009 -10.180 577 HB2 GLU 76 1HB GLU 76 3.866 -13.376 -11.802 578 HB3 GLU 76 2HB GLU 76 3.638 -13.795 -10.116 579 HG2 GLU 76 1HG GLU 76 1.405 -13.751 -10.559 580 HG3 GLU 76 2HG GLU 76 1.552 -12.005 -10.541 581 H ALA 77 H ALA 77 3.422 -11.900 -7.942 582 HA ALA 77 HA ALA 77 4.530 -11.986 -6.023 583 HB1 ALA 77 1HB ALA 77 4.925 -14.268 -6.796 584 HB2 ALA 77 2HB ALA 77 6.356 -13.741 -7.713 585 HB3 ALA 77 3HB ALA 77 6.366 -13.677 -5.934 586 H SER 78 H SER 78 6.962 -11.774 -5.012 587 HA SER 78 HA SER 78 8.635 -10.446 -4.639 588 HB2 SER 78 1HB SER 78 8.653 -10.328 -7.671 589 HB3 SER 78 2HB SER 78 9.803 -9.392 -6.737 590 HG SER 78 HG SER 78 10.753 -11.248 -5.942 591 H GLY 79 H GLY 79 9.400 -8.042 -4.768 592 HA2 GLY 79 1HA GLY 79 8.964 -5.811 -4.950 593 HA3 GLY 79 2HA GLY 79 7.456 -6.155 -5.773 594 H ARG 80 H ARG 80 7.488 -4.161 -3.842 595 HA ARG 80 HA ARG 80 5.783 -5.392 -1.870 596 HB2 ARG 80 1HB ARG 80 8.358 -3.944 -1.308 597 HB3 ARG 80 2HB ARG 80 7.011 -3.563 -0.254 598 HG2 ARG 80 1HG ARG 80 7.101 -5.593 0.791 599 HG3 ARG 80 2HG ARG 80 7.261 -6.465 -0.720 600 HD2 ARG 80 1HD ARG 80 9.575 -4.911 0.524 601 HD3 ARG 80 2HD ARG 80 9.274 -6.599 0.884 602 HE ARG 80 HE ARG 80 9.288 -6.334 -1.947 603 HH11 ARG 80 2HH2 ARG 80 11.526 -6.017 0.750 604 HH12 ARG 80 1HH2 ARG 80 12.919 -6.433 -0.191 605 HH21 ARG 80 2HH1 ARG 80 11.126 -6.883 -3.189 606 HH22 ARG 80 1HH1 ARG 80 12.690 -6.929 -2.446 607 H ILE 81 H ILE 81 3.859 -4.310 -2.185 608 HA ILE 81 HA ILE 81 3.873 -1.671 -3.300 609 HB ILE 81 HB ILE 81 1.682 -3.535 -2.395 610 HG12 ILE 81 1HG1 ILE 81 3.190 -3.976 -4.483 611 HG13 ILE 81 2HG1 ILE 81 1.453 -4.189 -4.586 612 HG21 ILE 81 1HG2 ILE 81 1.553 -0.727 -3.467 613 HG22 ILE 81 2HG2 ILE 81 0.246 -1.892 -3.787 614 HG23 ILE 81 3HG2 ILE 81 0.668 -1.465 -2.111 615 HD11 ILE 81 1HD1 ILE 81 2.859 -2.701 -6.367 616 HD12 ILE 81 2HD1 ILE 81 1.161 -2.357 -5.959 617 HD13 ILE 81 3HD1 ILE 81 2.469 -1.434 -5.179 618 H TYR 82 H TYR 82 2.801 0.201 -2.288 619 HA TYR 82 HA TYR 82 2.708 0.048 0.632 620 HB2 TYR 82 1HB TYR 82 4.260 1.948 -1.225 621 HB3 TYR 82 2HB TYR 82 3.950 2.358 0.450 622 HD1 TYR 82 1HD TYR 82 5.703 -0.044 -1.772 623 HD2 TYR 82 2HD TYR 82 5.263 1.428 2.221 624 HE1 TYR 82 1HE TYR 82 7.797 -1.303 -1.069 625 HE2 TYR 82 2HE TYR 82 7.359 0.164 2.910 626 HH TYR 82 HH TYR 82 8.655 -2.269 1.149 627 H VAL 83 H VAL 83 1.943 2.407 1.438 628 HA VAL 83 HA VAL 83 -0.066 3.407 -0.439 629 HB VAL 83 HB VAL 83 -1.309 1.871 0.839 630 HG11 VAL 83 1HG1 VAL 83 -0.338 3.024 3.454 631 HG12 VAL 83 2HG1 VAL 83 -1.149 1.471 3.141 632 HG13 VAL 83 3HG1 VAL 83 0.542 1.709 2.638 633 HG21 VAL 83 1HG2 VAL 83 -2.666 3.732 0.690 634 HG22 VAL 83 2HG2 VAL 83 -2.615 3.495 2.453 635 HG23 VAL 83 3HG2 VAL 83 -1.590 4.736 1.691 636 H TYR 84 H TYR 84 -0.247 5.623 -0.432 637 HA TYR 84 HA TYR 84 1.151 7.021 1.746 638 HB2 TYR 84 1HB TYR 84 1.152 7.311 -1.311 639 HB3 TYR 84 2HB TYR 84 1.624 8.661 -0.299 640 HD1 TYR 84 1HD TYR 84 2.402 4.987 -0.542 641 HD2 TYR 84 2HD TYR 84 3.900 8.960 -0.012 642 HE1 TYR 84 1HE TYR 84 4.776 4.085 -0.435 643 HE2 TYR 84 2HE TYR 84 6.269 8.044 0.092 644 HH TYR 84 HH TYR 84 6.889 4.679 0.388 645 H ARG 85 H ARG 85 0.526 9.462 1.719 646 HA ARG 85 HA ARG 85 -2.354 9.491 1.519 647 HB2 ARG 85 1HB ARG 85 -0.413 11.453 2.845 648 HB3 ARG 85 2HB ARG 85 -2.160 11.581 2.920 649 HG2 ARG 85 1HG ARG 85 -2.383 9.656 4.280 650 HG3 ARG 85 2HG ARG 85 -0.838 8.996 3.781 651 HD2 ARG 85 1HD ARG 85 -0.898 11.632 5.277 652 HD3 ARG 85 2HD ARG 85 -1.099 10.139 6.172 653 HE ARG 85 HE ARG 85 1.150 9.851 4.420 654 HH11 ARG 85 2HH2 ARG 85 0.193 11.587 7.328 655 HH12 ARG 85 1HH2 ARG 85 1.808 11.707 7.942 656 HH21 ARG 85 2HH1 ARG 85 3.281 10.009 5.230 657 HH22 ARG 85 1HH1 ARG 85 3.576 10.803 6.741 658 H LYS 86 H LYS 86 -3.488 10.963 0.181 659 HA LYS 86 HA LYS 86 -1.778 12.501 -1.641 660 HB2 LYS 86 1HB LYS 86 -4.515 11.265 -2.042 661 HB3 LYS 86 2HB LYS 86 -3.767 12.364 -3.182 662 HG2 LYS 86 1HG LYS 86 -1.745 10.782 -3.225 663 HG3 LYS 86 2HG LYS 86 -2.699 9.649 -2.289 664 HD2 LYS 86 1HD LYS 86 -3.635 8.891 -4.207 665 HD3 LYS 86 2HD LYS 86 -4.382 10.459 -4.439 666 HE2 LYS 86 1HE LYS 86 -2.138 11.223 -5.479 667 HE3 LYS 86 2HE LYS 86 -1.668 9.535 -5.477 668 HZ1 LYS 86 1HZ LYS 86 -2.652 9.710 -7.488 669 HZ2 LYS 86 2HZ LYS 86 -3.971 9.284 -6.624 670 HZ3 LYS 86 3HZ LYS 86 -3.731 10.847 -7.031 671 H ASP 87 H ASP 87 -1.933 14.697 -1.680 672 HA ASP 87 HA ASP 87 -4.292 16.026 -1.030 673 HB2 ASP 87 1HB ASP 87 -2.529 17.078 0.986 674 HB3 ASP 87 2HB ASP 87 -4.118 16.372 1.202 675 H LEU 88 H LEU 88 -3.567 18.565 -0.578 676 HA LEU 88 HA LEU 88 -2.376 19.518 -2.786 677 HB2 LEU 88 1HB LEU 88 -2.444 20.624 0.015 678 HB3 LEU 88 2HB LEU 88 -1.795 21.534 -1.334 679 HG LEU 88 HG LEU 88 -4.555 21.093 -0.536 680 HD11 LEU 88 1HD1 LEU 88 -3.329 23.271 -0.915 681 HD12 LEU 88 2HD1 LEU 88 -3.465 22.947 -2.660 682 HD13 LEU 88 3HD1 LEU 88 -4.934 23.136 -1.673 683 HD21 LEU 88 1HD2 LEU 88 -5.577 20.693 -2.654 684 HD22 LEU 88 2HD2 LEU 88 -4.005 20.726 -3.489 685 HD23 LEU 88 3HD2 LEU 88 -4.394 19.394 -2.374 686 H ALA 89 H ALA 89 -0.547 18.595 -3.643 687 HA ALA 89 HA ALA 89 1.911 19.410 -3.024 688 HB1 ALA 89 1HB ALA 89 0.998 17.449 -1.024 689 HB2 ALA 89 2HB ALA 89 2.544 17.012 -1.790 690 HB3 ALA 89 3HB ALA 89 2.369 18.582 -0.970 691 H ASP 90 H ASP 90 -0.248 16.777 -3.976 692 HA ASP 90 HA ASP 90 -0.281 15.575 -5.794 693 HB2 ASP 90 1HB ASP 90 2.434 16.688 -6.620 694 HB3 ASP 90 2HB ASP 90 1.236 15.948 -7.663 695 H THR 91 H THR 91 3.220 15.979 -4.826 696 HA THR 91 HA THR 91 4.041 13.392 -5.331 697 HB THR 91 HB THR 91 5.109 14.988 -2.986 698 HG1 THR 91 1HG THR 91 5.062 15.577 -5.858 699 HG21 THR 91 1HG2 THR 91 6.501 13.114 -3.661 700 HG22 THR 91 2HG2 THR 91 6.286 13.502 -5.385 701 HG23 THR 91 3HG2 THR 91 7.260 14.571 -4.347 702 H LEU 92 H LEU 92 4.953 11.946 -3.386 703 HA LEU 92 HA LEU 92 2.791 11.638 -1.439 704 HB2 LEU 92 1HB LEU 92 3.786 9.605 -3.410 705 HB3 LEU 92 2HB LEU 92 3.145 9.101 -1.859 706 HG LEU 92 HG LEU 92 1.629 10.784 -3.872 707 HD11 LEU 92 1HD1 LEU 92 0.377 8.312 -3.680 708 HD12 LEU 92 2HD1 LEU 92 1.368 8.905 -5.035 709 HD13 LEU 92 3HD1 LEU 92 2.111 7.916 -3.754 710 HD21 LEU 92 1HD2 LEU 92 0.029 9.331 -1.946 711 HD22 LEU 92 2HD2 LEU 92 1.183 10.416 -1.135 712 HD23 LEU 92 3HD2 LEU 92 0.046 11.066 -2.340 713 H ASN 93 H ASN 93 3.565 11.474 0.601 714 HA ASN 93 HA ASN 93 6.417 10.945 0.812 715 HB2 ASN 93 1HB ASN 93 4.433 12.426 2.601 716 HB3 ASN 93 2HB ASN 93 6.013 11.955 3.194 717 HD21 ASN 93 1HD2 ASN 93 4.470 13.529 0.400 718 HD22 ASN 93 2HD2 ASN 93 5.658 14.766 0.158 719 HA PRO 94 HA PRO 94 5.397 7.318 3.058 720 HB2 PRO 94 1HB PRO 94 7.649 6.933 4.557 721 HB3 PRO 94 2HB PRO 94 7.536 6.489 2.866 722 HG2 PRO 94 1HG PRO 94 8.942 8.784 4.089 723 HG3 PRO 94 2HG PRO 94 9.159 8.086 2.497 724 HD2 PRO 94 1HD PRO 94 7.766 10.511 3.132 725 HD3 PRO 94 2HD PRO 94 7.884 9.752 1.557 726 H PHE 95 H PHE 95 4.660 6.373 5.021 727 HA PHE 95 HA PHE 95 3.751 8.431 6.780 728 HB2 PHE 95 1HB PHE 95 3.514 5.431 6.380 729 HB3 PHE 95 2HB PHE 95 3.090 6.048 7.965 730 HD1 PHE 95 1HD PHE 95 2.226 6.166 4.384 731 HD2 PHE 95 2HD PHE 95 1.058 7.250 8.317 732 HE1 PHE 95 1HE PHE 95 -0.062 6.758 3.541 733 HE2 PHE 95 2HE PHE 95 -1.231 7.842 7.474 734 HZ PHE 95 HZ PHE 95 -1.764 7.589 5.096 735 H ALA 96 H ALA 96 3.796 7.537 9.309 736 HA ALA 96 HA ALA 96 5.112 7.705 11.103 737 HB1 ALA 96 1HB ALA 96 5.938 5.640 11.587 738 HB2 ALA 96 2HB ALA 96 5.224 5.196 10.018 739 HB3 ALA 96 3HB ALA 96 6.956 5.593 10.127 740 H GLU 97 H GLU 97 5.876 9.875 10.375 741 HA GLU 97 HA GLU 97 8.579 9.798 9.329 742 HB2 GLU 97 1HB GLU 97 6.335 11.745 9.273 743 HB3 GLU 97 2HB GLU 97 7.910 12.473 9.522 744 HG2 GLU 97 1HG GLU 97 7.596 10.386 7.353 745 HG3 GLU 97 2HG GLU 97 6.998 12.007 7.057 746 H ASN 98 H ASN 98 9.221 8.856 11.531 747 HA ASN 98 HA ASN 98 9.812 11.105 13.271 748 HB2 ASN 98 1HB ASN 98 8.694 8.376 14.071 749 HB3 ASN 98 2HB ASN 98 9.544 9.388 15.222 750 HD21 ASN 98 1HD2 ASN 98 8.754 11.545 15.615 751 HD22 ASN 98 2HD2 ASN 98 7.062 11.896 15.498 752 H SER 99 H SER 99 10.332 7.540 12.686 753 HA SER 99 HA SER 99 13.116 7.931 13.408 754 HB2 SER 99 1HB SER 99 13.136 5.370 13.392 755 HB3 SER 99 2HB SER 99 12.156 6.123 14.634 756 HG SER 99 HG SER 99 11.383 4.525 12.470 757 H GLY 100 H GLY 100 14.784 6.761 12.024 758 HA2 GLY 100 1HA GLY 100 15.111 5.618 9.880 759 HA3 GLY 100 2HA GLY 100 13.929 6.713 9.190 760 HA PRO 101 HA PRO 101 18.205 8.541 9.053 761 HB2 PRO 101 1HB PRO 101 19.038 7.865 6.539 762 HB3 PRO 101 2HB PRO 101 19.522 6.989 7.978 763 HG2 PRO 101 1HG PRO 101 17.568 6.208 5.902 764 HG3 PRO 101 2HG PRO 101 18.371 5.199 7.088 765 HD2 PRO 101 1HD PRO 101 15.659 6.128 7.180 766 HD3 PRO 101 2HD PRO 101 16.497 5.216 8.420 767 H SER 102 H SER 102 19.142 10.130 7.253 768 HA SER 102 HA SER 102 16.751 11.606 6.512 769 HB2 SER 102 1HB SER 102 19.505 12.350 7.375 770 HB3 SER 102 2HB SER 102 18.840 13.350 6.099 771 HG SER 102 HG SER 102 16.858 13.491 7.555 772 H SER 103 H SER 103 16.392 12.257 4.346 773 HA SER 103 HA SER 103 17.415 10.628 2.389 774 HB2 SER 103 1HB SER 103 15.451 12.633 2.596 775 HB3 SER 103 2HB SER 103 16.545 13.245 1.371 776 HG SER 103 HG SER 103 14.664 11.315 1.117 777 H GLY 104 H GLY 104 19.133 10.802 0.909 778 HA2 GLY 104 1HA GLY 104 20.628 13.279 0.710 779 HA3 GLY 104 2HA GLY 104 21.469 11.971 1.517 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -11.090 -8.785 -11.467 2 HA2 GLY 1 1HA GLY 1 -13.134 -8.887 -13.315 3 HA3 GLY 1 2HA GLY 1 -11.691 -9.351 -14.194 4 H SER 2 H SER 2 -13.777 -10.131 -11.378 5 HA SER 2 HA SER 2 -12.346 -12.554 -10.896 6 HB2 SER 2 1HB SER 2 -14.233 -10.901 -9.484 7 HB3 SER 2 2HB SER 2 -14.917 -12.511 -9.586 8 HG SER 2 HG SER 2 -12.510 -11.641 -8.313 9 H SER 3 H SER 3 -13.008 -14.664 -11.466 10 HA SER 3 HA SER 3 -15.177 -14.706 -13.397 11 HB2 SER 3 1HB SER 3 -12.622 -16.208 -13.053 12 HB3 SER 3 2HB SER 3 -13.976 -17.167 -13.617 13 HG SER 3 HG SER 3 -14.254 -15.718 -15.393 14 H GLY 4 H GLY 4 -13.727 -16.754 -10.753 15 HA2 GLY 4 1HA GLY 4 -16.425 -17.356 -9.797 16 HA3 GLY 4 2HA GLY 4 -15.441 -18.703 -10.335 17 H SER 5 H SER 5 -16.049 -16.392 -7.787 18 HA SER 5 HA SER 5 -13.621 -16.539 -6.467 19 HB2 SER 5 1HB SER 5 -16.373 -15.641 -5.886 20 HB3 SER 5 2HB SER 5 -15.542 -16.229 -4.459 21 HG SER 5 HG SER 5 -14.296 -14.356 -6.268 22 H SER 6 H SER 6 -12.729 -18.591 -6.150 23 HA SER 6 HA SER 6 -13.859 -20.135 -4.098 24 HB2 SER 6 1HB SER 6 -15.266 -20.850 -6.095 25 HB3 SER 6 2HB SER 6 -13.805 -21.465 -6.841 26 HG SER 6 HG SER 6 -13.540 -22.931 -5.054 27 H GLY 7 H GLY 7 -11.813 -20.498 -7.093 28 HA2 GLY 7 1HA GLY 7 -9.626 -21.466 -5.352 29 HA3 GLY 7 2HA GLY 7 -9.883 -21.953 -7.015 30 H GLU 8 H GLU 8 -9.071 -19.149 -4.902 31 HA GLU 8 HA GLU 8 -7.097 -18.310 -6.696 32 HB2 GLU 8 1HB GLU 8 -8.033 -16.157 -7.410 33 HB3 GLU 8 2HB GLU 8 -9.055 -17.466 -7.971 34 HG2 GLU 8 1HG GLU 8 -10.204 -16.957 -5.521 35 HG3 GLU 8 2HG GLU 8 -9.620 -15.357 -5.932 36 H GLU 9 H GLU 9 -6.847 -19.011 -4.099 37 HA GLU 9 HA GLU 9 -7.279 -16.831 -2.356 38 HB2 GLU 9 1HB GLU 9 -6.097 -18.210 -0.701 39 HB3 GLU 9 2HB GLU 9 -7.256 -19.187 -1.580 40 HG2 GLU 9 1HG GLU 9 -5.218 -19.718 -3.182 41 HG3 GLU 9 2HG GLU 9 -4.235 -19.149 -1.848 42 H ILE 10 H ILE 10 -5.983 -15.074 -1.972 43 HA ILE 10 HA ILE 10 -3.162 -15.236 -2.229 44 HB ILE 10 HB ILE 10 -4.000 -15.106 -4.627 45 HG12 ILE 10 1HG1 ILE 10 -2.259 -12.753 -4.271 46 HG13 ILE 10 2HG1 ILE 10 -1.726 -14.175 -3.396 47 HG21 ILE 10 1HG2 ILE 10 -5.765 -13.563 -4.554 48 HG22 ILE 10 2HG2 ILE 10 -4.808 -12.371 -3.641 49 HG23 ILE 10 3HG2 ILE 10 -4.433 -12.692 -5.352 50 HD11 ILE 10 1HD1 ILE 10 -2.577 -14.372 -6.306 51 HD12 ILE 10 2HD1 ILE 10 -0.923 -13.895 -5.854 52 HD13 ILE 10 3HD1 ILE 10 -1.552 -15.489 -5.373 53 H PHE 11 H PHE 11 -2.122 -13.278 -1.433 54 HA PHE 11 HA PHE 11 -4.040 -11.499 -0.099 55 HB2 PHE 11 1HB PHE 11 -1.667 -13.117 0.797 56 HB3 PHE 11 2HB PHE 11 -1.682 -11.473 1.405 57 HD1 PHE 11 2HD PHE 11 -4.108 -14.293 1.003 58 HD2 PHE 11 1HD PHE 11 -2.640 -11.168 3.470 59 HE1 PHE 11 2HE PHE 11 -5.699 -14.979 2.819 60 HE2 PHE 11 1HE PHE 11 -4.231 -11.854 5.286 61 HZ PHE 11 HZ PHE 11 -5.742 -13.751 4.939 62 H CYS 12 H CYS 12 -3.232 -9.291 0.329 63 HA CYS 12 HA CYS 12 -1.083 -8.574 -1.529 64 HB2 CYS 12 1HB CYS 12 -3.115 -7.819 -2.541 65 HB3 CYS 12 2HB CYS 12 -3.713 -7.157 -1.033 66 HG CYS 12 HG CYS 12 -1.646 -6.050 -3.235 67 H HIS 13 H HIS 13 0.659 -7.933 -0.308 68 HA HIS 13 HA HIS 13 0.183 -6.987 2.374 69 HB2 HIS 13 1HB HIS 13 2.684 -7.662 0.811 70 HB3 HIS 13 2HB HIS 13 2.729 -6.978 2.423 71 HD1 HIS 13 1HD HIS 13 2.243 -10.164 0.595 72 HD2 HIS 13 2HD HIS 13 1.623 -8.712 4.481 73 HE1 HIS 13 1HE HIS 13 1.917 -12.213 2.080 74 H VAL 14 H VAL 14 -0.042 -4.872 2.889 75 HA VAL 14 HA VAL 14 1.017 -2.933 0.950 76 HB VAL 14 HB VAL 14 -1.420 -2.870 2.730 77 HG11 VAL 14 1HG1 VAL 14 -0.766 -0.675 2.965 78 HG12 VAL 14 2HG1 VAL 14 0.079 -0.641 1.398 79 HG13 VAL 14 3HG1 VAL 14 -1.699 -0.571 1.453 80 HG21 VAL 14 1HG2 VAL 14 -2.139 -2.134 0.158 81 HG22 VAL 14 2HG2 VAL 14 -0.922 -3.405 -0.106 82 HG23 VAL 14 3HG2 VAL 14 -2.359 -3.742 0.889 83 H TYR 15 H TYR 15 3.035 -2.470 1.781 84 HA TYR 15 HA TYR 15 3.479 -2.294 4.586 85 HB2 TYR 15 1HB TYR 15 4.892 -1.704 1.945 86 HB3 TYR 15 2HB TYR 15 5.624 -1.095 3.416 87 HD1 TYR 15 2HD TYR 15 3.864 -4.344 2.785 88 HD2 TYR 15 1HD TYR 15 7.540 -2.385 3.761 89 HE1 TYR 15 2HE TYR 15 4.971 -6.599 3.174 90 HE2 TYR 15 1HE TYR 15 8.635 -4.647 4.146 91 HH TYR 15 HH TYR 15 8.062 -6.858 4.655 92 H ILE 16 H ILE 16 2.475 -0.696 5.744 93 HA ILE 16 HA ILE 16 1.776 1.785 4.645 94 HB ILE 16 HB ILE 16 2.136 0.997 7.539 95 HG12 ILE 16 1HG1 ILE 16 -0.520 0.990 6.163 96 HG13 ILE 16 2HG1 ILE 16 0.562 -0.358 5.870 97 HG21 ILE 16 1HG2 ILE 16 0.816 3.335 6.178 98 HG22 ILE 16 2HG2 ILE 16 0.266 2.763 7.772 99 HG23 ILE 16 3HG2 ILE 16 1.944 3.315 7.555 100 HD11 ILE 16 1HD1 ILE 16 0.651 -0.948 8.191 101 HD12 ILE 16 2HD1 ILE 16 -0.043 0.613 8.690 102 HD13 ILE 16 3HD1 ILE 16 -1.061 -0.590 7.862 103 H THR 17 H THR 17 4.401 0.919 7.011 104 HA THR 17 HA THR 17 5.841 3.293 6.022 105 HB THR 17 HB THR 17 6.742 3.473 8.318 106 HG1 THR 17 1HG THR 17 6.044 1.804 9.826 107 HG21 THR 17 1HG2 THR 17 4.257 4.247 7.797 108 HG22 THR 17 2HG2 THR 17 3.807 2.824 8.767 109 HG23 THR 17 3HG2 THR 17 4.783 4.123 9.493 110 H GLU 18 H GLU 18 8.072 2.112 7.893 111 HA GLU 18 HA GLU 18 9.191 0.558 5.728 112 HB2 GLU 18 1HB GLU 18 10.407 2.535 6.801 113 HB3 GLU 18 2HB GLU 18 10.584 1.560 8.246 114 HG2 GLU 18 1HG GLU 18 12.576 1.004 7.198 115 HG3 GLU 18 2HG GLU 18 11.555 -0.243 6.509 116 H HIS 19 H HIS 19 8.147 0.325 9.131 117 HA HIS 19 HA HIS 19 8.753 -2.538 8.990 118 HB2 HIS 19 1HB HIS 19 8.726 -0.965 11.563 119 HB3 HIS 19 2HB HIS 19 9.353 -2.576 11.275 120 HD1 HIS 19 1HD HIS 19 11.746 -2.793 10.320 121 HD2 HIS 19 2HD HIS 19 10.419 1.170 10.683 122 HE1 HIS 19 1HE HIS 19 13.798 -1.317 9.969 123 H SER 20 H SER 20 6.347 -1.117 8.078 124 HA SER 20 HA SER 20 4.503 -2.452 9.870 125 HB2 SER 20 1HB SER 20 3.925 0.319 8.749 126 HB3 SER 20 2HB SER 20 2.960 -0.579 9.903 127 HG SER 20 HG SER 20 4.281 1.075 10.921 128 H TYR 21 H TYR 21 2.616 -3.292 8.789 129 HA TYR 21 HA TYR 21 2.181 -2.666 6.024 130 HB2 TYR 21 1HB TYR 21 2.936 -4.780 5.167 131 HB3 TYR 21 2HB TYR 21 4.167 -4.420 6.361 132 HD1 TYR 21 1HD TYR 21 3.769 -5.391 8.767 133 HD2 TYR 21 2HD TYR 21 1.800 -6.823 5.250 134 HE1 TYR 21 1HE TYR 21 3.271 -7.594 9.934 135 HE2 TYR 21 2HE TYR 21 1.308 -9.021 6.429 136 HH TYR 21 HH TYR 21 1.019 -9.710 8.902 137 H VAL 22 H VAL 22 0.477 -4.452 5.149 138 HA VAL 22 HA VAL 22 -1.267 -5.256 7.341 139 HB VAL 22 HB VAL 22 -2.361 -3.735 4.988 140 HG11 VAL 22 1HG1 VAL 22 -3.495 -4.050 7.778 141 HG12 VAL 22 2HG1 VAL 22 -4.329 -3.518 6.299 142 HG13 VAL 22 3HG1 VAL 22 -3.811 -5.212 6.468 143 HG21 VAL 22 1HG2 VAL 22 -0.883 -2.136 5.941 144 HG22 VAL 22 2HG2 VAL 22 -2.500 -1.757 6.580 145 HG23 VAL 22 3HG2 VAL 22 -1.318 -2.611 7.600 146 H SER 23 H SER 23 -2.426 -7.138 6.899 147 HA SER 23 HA SER 23 -1.610 -8.419 4.438 148 HB2 SER 23 1HB SER 23 -2.096 -10.492 5.506 149 HB3 SER 23 2HB SER 23 -1.352 -9.506 6.749 150 HG SER 23 HG SER 23 -3.849 -8.905 7.083 151 H VAL 24 H VAL 24 -3.005 -7.641 2.821 152 HA VAL 24 HA VAL 24 -5.865 -7.706 3.399 153 HB VAL 24 HB VAL 24 -4.254 -6.525 1.130 154 HG11 VAL 24 1HG1 VAL 24 -6.508 -5.370 0.640 155 HG12 VAL 24 2HG1 VAL 24 -6.313 -7.066 0.137 156 HG13 VAL 24 3HG1 VAL 24 -7.233 -6.674 1.610 157 HG21 VAL 24 1HG2 VAL 24 -5.812 -4.631 2.638 158 HG22 VAL 24 2HG2 VAL 24 -4.788 -5.576 3.746 159 HG23 VAL 24 3HG2 VAL 24 -4.051 -4.694 2.386 160 H LYS 25 H LYS 25 -7.342 -8.885 2.059 161 HA LYS 25 HA LYS 25 -6.048 -11.184 0.802 162 HB2 LYS 25 1HB LYS 25 -7.723 -11.470 2.681 163 HB3 LYS 25 2HB LYS 25 -8.955 -10.866 1.591 164 HG2 LYS 25 1HG LYS 25 -8.549 -12.695 0.009 165 HG3 LYS 25 2HG LYS 25 -7.152 -13.236 0.919 166 HD2 LYS 25 1HD LYS 25 -8.831 -13.491 2.928 167 HD3 LYS 25 2HD LYS 25 -10.083 -13.398 1.705 168 HE2 LYS 25 1HE LYS 25 -7.865 -15.277 1.046 169 HE3 LYS 25 2HE LYS 25 -8.794 -15.727 2.462 170 HZ1 LYS 25 1HZ LYS 25 -10.359 -16.425 1.106 171 HZ2 LYS 25 2HZ LYS 25 -10.586 -14.915 0.527 172 HZ3 LYS 25 3HZ LYS 25 -9.533 -15.922 -0.211 173 H ALA 26 H ALA 26 -5.510 -10.595 -1.273 174 HA ALA 26 HA ALA 26 -7.577 -9.232 -2.832 175 HB1 ALA 26 1HB ALA 26 -4.987 -9.702 -4.122 176 HB2 ALA 26 2HB ALA 26 -5.865 -8.177 -3.852 177 HB3 ALA 26 3HB ALA 26 -4.826 -8.844 -2.570 178 H LYS 27 H LYS 27 -7.274 -10.021 -5.349 179 HA LYS 27 HA LYS 27 -7.543 -12.945 -5.225 180 HB2 LYS 27 1HB LYS 27 -9.011 -11.098 -7.122 181 HB3 LYS 27 2HB LYS 27 -9.272 -12.813 -6.881 182 HG2 LYS 27 1HG LYS 27 -9.496 -11.011 -4.474 183 HG3 LYS 27 2HG LYS 27 -10.792 -10.959 -5.653 184 HD2 LYS 27 1HD LYS 27 -10.849 -13.547 -5.483 185 HD3 LYS 27 2HD LYS 27 -9.814 -13.379 -4.080 186 HE2 LYS 27 1HE LYS 27 -11.666 -11.615 -3.302 187 HE3 LYS 27 2HE LYS 27 -12.681 -12.482 -4.437 188 HZ1 LYS 27 1HZ LYS 27 -11.119 -14.081 -2.607 189 HZ2 LYS 27 2HZ LYS 27 -12.375 -13.253 -1.970 190 HZ3 LYS 27 3HZ LYS 27 -12.631 -14.326 -3.174 191 H VAL 28 H VAL 28 -7.370 -13.793 -7.704 192 HA VAL 28 HA VAL 28 -4.673 -13.213 -8.402 193 HB VAL 28 HB VAL 28 -5.913 -15.432 -8.504 194 HG11 VAL 28 1HG1 VAL 28 -6.712 -15.230 -11.246 195 HG12 VAL 28 2HG1 VAL 28 -7.694 -15.658 -9.824 196 HG13 VAL 28 3HG1 VAL 28 -7.539 -13.955 -10.320 197 HG21 VAL 28 1HG2 VAL 28 -4.455 -14.633 -11.041 198 HG22 VAL 28 2HG2 VAL 28 -3.648 -14.946 -9.486 199 HG23 VAL 28 3HG2 VAL 28 -4.548 -16.248 -10.300 200 H SER 29 H SER 29 -7.657 -11.682 -9.028 201 HA SER 29 HA SER 29 -6.373 -10.156 -11.105 202 HB2 SER 29 1HB SER 29 -9.072 -11.528 -11.473 203 HB3 SER 29 2HB SER 29 -8.490 -10.243 -12.513 204 HG SER 29 HG SER 29 -6.545 -12.172 -12.248 205 H SER 30 H SER 30 -6.698 -9.360 -8.485 206 HA SER 30 HA SER 30 -9.153 -7.809 -8.477 207 HB2 SER 30 1HB SER 30 -8.620 -9.254 -6.489 208 HB3 SER 30 2HB SER 30 -7.164 -8.317 -6.219 209 HG SER 30 HG SER 30 -9.909 -7.462 -5.998 210 H ILE 31 H ILE 31 -9.110 -5.522 -8.393 211 HA ILE 31 HA ILE 31 -6.701 -4.332 -9.355 212 HB ILE 31 HB ILE 31 -8.106 -2.237 -9.199 213 HG12 ILE 31 1HG1 ILE 31 -10.431 -4.095 -8.714 214 HG13 ILE 31 2HG1 ILE 31 -9.600 -3.321 -7.379 215 HG21 ILE 31 1HG2 ILE 31 -7.835 -3.914 -11.174 216 HG22 ILE 31 2HG2 ILE 31 -9.523 -4.341 -10.806 217 HG23 ILE 31 3HG2 ILE 31 -9.102 -2.666 -11.238 218 HD11 ILE 31 1HD1 ILE 31 -11.316 -2.106 -9.514 219 HD12 ILE 31 2HD1 ILE 31 -11.162 -1.672 -7.795 220 HD13 ILE 31 3HD1 ILE 31 -9.925 -1.143 -8.961 221 H ALA 32 H ALA 32 -5.770 -2.318 -8.300 222 HA ALA 32 HA ALA 32 -4.869 -2.972 -5.743 223 HB1 ALA 32 1HB ALA 32 -4.518 -0.874 -7.749 224 HB2 ALA 32 2HB ALA 32 -4.471 -0.221 -6.094 225 HB3 ALA 32 3HB ALA 32 -3.354 -1.523 -6.569 226 H GLN 33 H GLN 33 -7.481 -0.789 -6.923 227 HA GLN 33 HA GLN 33 -8.039 0.527 -4.634 228 HB2 GLN 33 1HB GLN 33 -9.218 1.131 -6.615 229 HB3 GLN 33 2HB GLN 33 -9.818 -0.496 -6.867 230 HG2 GLN 33 1HG GLN 33 -11.687 -0.008 -5.684 231 HG3 GLN 33 2HG GLN 33 -10.716 0.334 -4.266 232 HE21 GLN 33 1HE2 GLN 33 -9.517 2.498 -4.384 233 HE22 GLN 33 2HE2 GLN 33 -10.441 3.874 -4.886 234 H GLU 34 H GLU 34 -9.070 -2.793 -5.601 235 HA GLU 34 HA GLU 34 -10.823 -3.242 -3.547 236 HB2 GLU 34 1HB GLU 34 -9.042 -5.050 -5.200 237 HB3 GLU 34 2HB GLU 34 -10.025 -5.728 -3.917 238 HG2 GLU 34 1HG GLU 34 -11.068 -4.054 -6.251 239 HG3 GLU 34 2HG GLU 34 -11.210 -5.795 -6.106 240 H ILE 35 H ILE 35 -7.375 -2.822 -3.468 241 HA ILE 35 HA ILE 35 -7.205 -4.147 -0.866 242 HB ILE 35 HB ILE 35 -4.947 -3.041 -2.526 243 HG12 ILE 35 1HG1 ILE 35 -6.203 -4.649 -3.892 244 HG13 ILE 35 2HG1 ILE 35 -4.616 -5.253 -3.460 245 HG21 ILE 35 1HG2 ILE 35 -4.961 -3.859 0.072 246 HG22 ILE 35 2HG2 ILE 35 -4.553 -5.374 -0.768 247 HG23 ILE 35 3HG2 ILE 35 -3.548 -3.925 -1.009 248 HD11 ILE 35 1HD1 ILE 35 -6.983 -6.640 -3.110 249 HD12 ILE 35 2HD1 ILE 35 -5.469 -6.984 -2.239 250 HD13 ILE 35 3HD1 ILE 35 -6.714 -5.957 -1.488 251 H LEU 36 H LEU 36 -6.545 -1.021 -2.566 252 HA LEU 36 HA LEU 36 -5.691 0.382 -0.337 253 HB2 LEU 36 1HB LEU 36 -5.496 1.065 -2.712 254 HB3 LEU 36 2HB LEU 36 -7.213 1.414 -2.734 255 HG LEU 36 HG LEU 36 -6.655 3.008 -0.729 256 HD11 LEU 36 1HD1 LEU 36 -4.531 3.483 -0.238 257 HD12 LEU 36 2HD1 LEU 36 -4.121 1.992 -1.118 258 HD13 LEU 36 3HD1 LEU 36 -4.055 3.564 -1.951 259 HD21 LEU 36 1HD2 LEU 36 -7.530 4.028 -2.603 260 HD22 LEU 36 2HD2 LEU 36 -5.917 4.774 -2.505 261 HD23 LEU 36 3HD2 LEU 36 -6.220 3.458 -3.664 262 H LYS 37 H LYS 37 -8.986 -0.372 -1.546 263 HA LYS 37 HA LYS 37 -10.329 1.346 0.220 264 HB2 LYS 37 1HB LYS 37 -12.312 0.050 -0.393 265 HB3 LYS 37 2HB LYS 37 -11.360 0.473 -1.802 266 HG2 LYS 37 1HG LYS 37 -11.348 -1.728 -2.352 267 HG3 LYS 37 2HG LYS 37 -10.278 -1.997 -0.991 268 HD2 LYS 37 1HD LYS 37 -12.211 -2.388 0.503 269 HD3 LYS 37 2HD LYS 37 -13.327 -2.002 -0.793 270 HE2 LYS 37 1HE LYS 37 -11.634 -3.998 -1.882 271 HE3 LYS 37 2HE LYS 37 -11.936 -4.526 -0.238 272 HZ1 LYS 37 1HZ LYS 37 -14.091 -4.839 -0.672 273 HZ2 LYS 37 2HZ LYS 37 -14.233 -3.547 -1.661 274 HZ3 LYS 37 3HZ LYS 37 -13.605 -4.943 -2.228 275 H VAL 38 H VAL 38 -8.887 -1.881 0.550 276 HA VAL 38 HA VAL 38 -10.229 -2.360 3.055 277 HB VAL 38 HB VAL 38 -7.925 -3.861 1.808 278 HG11 VAL 38 1HG1 VAL 38 -9.211 -5.777 3.015 279 HG12 VAL 38 2HG1 VAL 38 -8.191 -4.677 3.973 280 HG13 VAL 38 3HG1 VAL 38 -9.958 -4.459 3.950 281 HG21 VAL 38 1HG2 VAL 38 -9.366 -5.100 0.468 282 HG22 VAL 38 2HG2 VAL 38 -10.808 -4.631 1.401 283 HG23 VAL 38 3HG2 VAL 38 -10.027 -3.455 0.317 284 H VAL 39 H VAL 39 -6.840 -1.718 1.916 285 HA VAL 39 HA VAL 39 -5.674 -1.637 4.417 286 HB VAL 39 HB VAL 39 -4.973 -0.026 1.955 287 HG11 VAL 39 1HG1 VAL 39 -2.690 -0.939 3.412 288 HG12 VAL 39 2HG1 VAL 39 -3.222 0.732 3.106 289 HG13 VAL 39 3HG1 VAL 39 -3.792 -0.132 4.554 290 HG21 VAL 39 1HG2 VAL 39 -4.207 -1.879 0.946 291 HG22 VAL 39 2HG2 VAL 39 -3.479 -2.503 2.445 292 HG23 VAL 39 3HG2 VAL 39 -5.206 -2.775 2.114 293 H ALA 40 H ALA 40 -7.079 1.071 2.448 294 HA ALA 40 HA ALA 40 -6.582 3.191 3.986 295 HB1 ALA 40 1HB ALA 40 -7.847 3.449 1.988 296 HB2 ALA 40 2HB ALA 40 -9.125 2.351 2.560 297 HB3 ALA 40 3HB ALA 40 -8.937 3.959 3.299 298 H GLU 41 H GLU 41 -9.117 0.691 4.624 299 HA GLU 41 HA GLU 41 -9.993 1.998 6.961 300 HB2 GLU 41 1HB GLU 41 -10.395 -0.943 6.309 301 HB3 GLU 41 2HB GLU 41 -11.437 0.098 7.258 302 HG2 GLU 41 1HG GLU 41 -11.135 1.353 4.695 303 HG3 GLU 41 2HG GLU 41 -11.445 -0.345 4.390 304 H LYS 42 H LYS 42 -7.754 -0.734 6.233 305 HA LYS 42 HA LYS 42 -7.320 -1.522 8.868 306 HB2 LYS 42 1HB LYS 42 -6.231 -2.064 6.234 307 HB3 LYS 42 2HB LYS 42 -4.950 -1.991 7.427 308 HG2 LYS 42 1HG LYS 42 -5.890 -4.288 7.240 309 HG3 LYS 42 2HG LYS 42 -6.112 -3.634 8.851 310 HD2 LYS 42 1HD LYS 42 -8.220 -4.614 8.276 311 HD3 LYS 42 2HD LYS 42 -8.457 -2.886 8.109 312 HE2 LYS 42 1HE LYS 42 -7.700 -3.340 5.582 313 HE3 LYS 42 2HE LYS 42 -8.197 -4.982 5.944 314 HZ1 LYS 42 1HZ LYS 42 -9.832 -2.964 5.231 315 HZ2 LYS 42 2HZ LYS 42 -10.308 -4.377 5.898 316 HZ3 LYS 42 3HZ LYS 42 -10.082 -3.064 6.842 317 H ILE 43 H ILE 43 -6.450 1.376 7.174 318 HA ILE 43 HA ILE 43 -4.459 1.966 9.252 319 HB ILE 43 HB ILE 43 -3.250 3.196 7.771 320 HG12 ILE 43 1HG1 ILE 43 -5.666 3.512 5.966 321 HG13 ILE 43 2HG1 ILE 43 -5.139 4.691 7.149 322 HG21 ILE 43 1HG2 ILE 43 -3.867 0.672 6.989 323 HG22 ILE 43 2HG2 ILE 43 -4.302 1.589 5.527 324 HG23 ILE 43 3HG2 ILE 43 -2.656 1.706 6.195 325 HD11 ILE 43 1HD1 ILE 43 -3.880 5.558 5.460 326 HD12 ILE 43 2HD1 ILE 43 -2.784 4.187 5.759 327 HD13 ILE 43 3HD1 ILE 43 -4.021 4.076 4.484 328 H GLN 44 H GLN 44 -7.632 2.586 8.035 329 HA GLN 44 HA GLN 44 -9.223 3.863 8.805 330 HB2 GLN 44 1HB GLN 44 -7.285 5.146 10.773 331 HB3 GLN 44 2HB GLN 44 -9.034 5.102 10.885 332 HG2 GLN 44 1HG GLN 44 -8.818 2.516 10.911 333 HG3 GLN 44 2HG GLN 44 -7.100 2.763 11.156 334 HE21 GLN 44 1HE2 GLN 44 -6.649 2.351 13.180 335 HE22 GLN 44 2HE2 GLN 44 -7.482 2.939 14.581 336 H TYR 45 H TYR 45 -8.438 4.657 6.480 337 HA TYR 45 HA TYR 45 -8.261 7.562 6.699 338 HB2 TYR 45 1HB TYR 45 -6.215 5.650 5.809 339 HB3 TYR 45 2HB TYR 45 -6.733 6.594 4.426 340 HD1 TYR 45 1HD TYR 45 -6.421 9.064 4.403 341 HD2 TYR 45 2HD TYR 45 -4.911 6.636 7.586 342 HE1 TYR 45 1HE TYR 45 -4.897 10.962 5.138 343 HE2 TYR 45 2HE TYR 45 -3.392 8.543 8.310 344 HH TYR 45 HH TYR 45 -3.469 11.085 8.090 345 H ALA 46 H ALA 46 -8.004 8.015 3.880 346 HA ALA 46 HA ALA 46 -10.552 6.862 2.968 347 HB1 ALA 46 1HB ALA 46 -9.487 9.441 1.871 348 HB2 ALA 46 2HB ALA 46 -11.168 8.929 2.154 349 HB3 ALA 46 3HB ALA 46 -10.155 9.453 3.520 350 H GLU 47 H GLU 47 -10.019 5.189 1.624 351 HA GLU 47 HA GLU 47 -7.704 4.783 0.355 352 HB2 GLU 47 1HB GLU 47 -9.054 3.421 -1.310 353 HB3 GLU 47 2HB GLU 47 -9.391 3.071 0.374 354 HG2 GLU 47 1HG GLU 47 -11.413 4.477 0.316 355 HG3 GLU 47 2HG GLU 47 -11.043 5.011 -1.311 356 H GLU 48 H GLU 48 -10.438 6.845 -0.740 357 HA GLU 48 HA GLU 48 -9.509 7.285 -3.303 358 HB2 GLU 48 1HB GLU 48 -10.927 9.425 -3.110 359 HB3 GLU 48 2HB GLU 48 -11.753 7.906 -2.828 360 HG2 GLU 48 1HG GLU 48 -11.789 8.220 -0.458 361 HG3 GLU 48 2HG GLU 48 -10.531 9.439 -0.508 362 H ASP 49 H ASP 49 -8.677 8.776 -0.162 363 HA ASP 49 HA ASP 49 -7.135 10.810 -1.456 364 HB2 ASP 49 1HB ASP 49 -7.428 10.007 1.477 365 HB3 ASP 49 2HB ASP 49 -6.509 11.397 0.933 366 H LEU 50 H LEU 50 -6.773 7.521 -0.803 367 HA LEU 50 HA LEU 50 -3.896 7.775 -0.281 368 HB2 LEU 50 1HB LEU 50 -5.764 5.443 0.171 369 HB3 LEU 50 2HB LEU 50 -4.035 5.428 0.457 370 HG LEU 50 HG LEU 50 -6.052 7.170 1.900 371 HD11 LEU 50 1HD1 LEU 50 -4.819 4.520 2.506 372 HD12 LEU 50 2HD1 LEU 50 -5.074 5.661 3.848 373 HD13 LEU 50 3HD1 LEU 50 -6.453 5.136 2.852 374 HD21 LEU 50 1HD2 LEU 50 -4.318 8.489 2.359 375 HD22 LEU 50 2HD2 LEU 50 -3.701 7.159 3.368 376 HD23 LEU 50 3HD2 LEU 50 -3.149 7.329 1.685 377 H ALA 51 H ALA 51 -2.809 5.553 -1.274 378 HA ALA 51 HA ALA 51 -3.845 4.745 -3.772 379 HB1 ALA 51 1HB ALA 51 -1.963 7.079 -3.671 380 HB2 ALA 51 2HB ALA 51 -1.728 5.869 -4.955 381 HB3 ALA 51 3HB ALA 51 -3.282 6.726 -4.814 382 H LEU 52 H LEU 52 -2.620 2.992 -4.625 383 HA LEU 52 HA LEU 52 -0.822 1.856 -2.677 384 HB2 LEU 52 1HB LEU 52 -2.079 0.856 -5.226 385 HB3 LEU 52 2HB LEU 52 -0.870 -0.064 -4.352 386 HG LEU 52 HG LEU 52 -3.597 0.775 -3.335 387 HD11 LEU 52 1HD1 LEU 52 -2.600 -1.571 -4.717 388 HD12 LEU 52 2HD1 LEU 52 -3.282 -1.993 -3.128 389 HD13 LEU 52 3HD1 LEU 52 -4.269 -1.104 -4.313 390 HD21 LEU 52 1HD2 LEU 52 -2.380 0.890 -1.385 391 HD22 LEU 52 2HD2 LEU 52 -2.860 -0.824 -1.396 392 HD23 LEU 52 3HD2 LEU 52 -1.219 -0.356 -1.901 393 H VAL 53 H VAL 53 1.287 2.404 -2.653 394 HA VAL 53 HA VAL 53 2.489 3.194 -5.203 395 HB VAL 53 HB VAL 53 3.262 3.677 -2.322 396 HG11 VAL 53 1HG1 VAL 53 5.293 4.499 -2.926 397 HG12 VAL 53 2HG1 VAL 53 5.101 3.347 -4.269 398 HG13 VAL 53 3HG1 VAL 53 4.717 5.068 -4.511 399 HG21 VAL 53 1HG2 VAL 53 1.466 5.112 -2.944 400 HG22 VAL 53 2HG2 VAL 53 2.951 6.089 -3.043 401 HG23 VAL 53 3HG2 VAL 53 2.199 5.461 -4.529 402 H ALA 54 H ALA 54 3.957 1.894 -6.198 403 HA ALA 54 HA ALA 54 4.812 -0.470 -4.683 404 HB1 ALA 54 1HB ALA 54 3.408 -0.699 -6.807 405 HB2 ALA 54 2HB ALA 54 4.820 -0.076 -7.695 406 HB3 ALA 54 3HB ALA 54 4.943 -1.601 -6.785 407 H ILE 55 H ILE 55 7.035 -1.107 -4.739 408 HA ILE 55 HA ILE 55 8.810 1.096 -5.531 409 HB ILE 55 HB ILE 55 9.323 -0.983 -3.409 410 HG12 ILE 55 1HG1 ILE 55 7.349 0.300 -2.766 411 HG13 ILE 55 2HG1 ILE 55 8.719 0.695 -1.747 412 HG21 ILE 55 1HG2 ILE 55 11.387 -0.173 -3.468 413 HG22 ILE 55 2HG2 ILE 55 10.924 1.055 -4.671 414 HG23 ILE 55 3HG2 ILE 55 10.743 1.398 -2.933 415 HD11 ILE 55 1HD1 ILE 55 7.365 2.369 -3.850 416 HD12 ILE 55 2HD1 ILE 55 7.968 2.838 -2.242 417 HD13 ILE 55 3HD1 ILE 55 9.109 2.608 -3.589 418 H THR 56 H THR 56 10.830 0.550 -6.549 419 HA THR 56 HA THR 56 10.839 -2.173 -7.676 420 HB THR 56 HB THR 56 10.103 -0.368 -9.294 421 HG1 THR 56 1HG THR 56 11.208 -2.043 -10.317 422 HG21 THR 56 1HG2 THR 56 12.993 0.592 -8.962 423 HG22 THR 56 2HG2 THR 56 11.787 1.230 -10.105 424 HG23 THR 56 3HG2 THR 56 11.577 1.485 -8.356 425 H PHE 57 H PHE 57 13.214 -2.396 -8.827 426 HA PHE 57 HA PHE 57 14.933 -2.879 -6.770 427 HB2 PHE 57 1HB PHE 57 14.980 -2.532 -9.745 428 HB3 PHE 57 2HB PHE 57 16.549 -2.297 -9.002 429 HD1 PHE 57 2HD PHE 57 13.755 -4.691 -8.333 430 HD2 PHE 57 1HD PHE 57 17.853 -4.167 -9.303 431 HE1 PHE 57 2HE PHE 57 14.091 -7.177 -8.254 432 HE2 PHE 57 1HE PHE 57 18.189 -6.653 -9.225 433 HZ PHE 57 HZ PHE 57 16.304 -8.129 -8.701 434 H SER 58 H SER 58 17.136 -1.888 -6.346 435 HA SER 58 HA SER 58 18.442 -0.226 -5.831 436 HB2 SER 58 1HB SER 58 17.091 0.809 -8.193 437 HB3 SER 58 2HB SER 58 17.393 2.118 -7.068 438 HG SER 58 HG SER 58 19.473 2.042 -7.552 439 H GLY 59 H GLY 59 15.183 1.347 -6.290 440 HA2 GLY 59 1HA GLY 59 14.066 1.427 -3.934 441 HA3 GLY 59 2HA GLY 59 15.415 2.495 -3.601 442 H GLU 60 H GLU 60 12.731 1.967 -5.982 443 HA GLU 60 HA GLU 60 12.389 4.848 -5.982 444 HB2 GLU 60 1HB GLU 60 12.885 3.076 -8.369 445 HB3 GLU 60 2HB GLU 60 11.787 4.428 -8.558 446 HG2 GLU 60 1HG GLU 60 13.605 5.932 -7.569 447 HG3 GLU 60 2HG GLU 60 14.692 4.559 -7.630 448 H LYS 61 H LYS 61 10.361 5.178 -5.183 449 HA LYS 61 HA LYS 61 8.405 3.086 -5.386 450 HB2 LYS 61 1HB LYS 61 7.150 4.341 -3.845 451 HB3 LYS 61 2HB LYS 61 8.818 4.557 -3.357 452 HG2 LYS 61 1HG LYS 61 8.682 6.684 -4.982 453 HG3 LYS 61 2HG LYS 61 6.960 6.532 -4.689 454 HD2 LYS 61 1HD LYS 61 7.508 7.897 -2.896 455 HD3 LYS 61 2HD LYS 61 7.745 6.339 -2.131 456 HE2 LYS 61 1HE LYS 61 10.088 6.487 -2.215 457 HE3 LYS 61 2HE LYS 61 10.081 7.546 -3.611 458 HZ1 LYS 61 1HZ LYS 61 8.767 8.863 -1.573 459 HZ2 LYS 61 2HZ LYS 61 10.133 8.249 -0.922 460 HZ3 LYS 61 3HZ LYS 61 10.219 9.229 -2.225 461 H HIS 62 H HIS 62 6.271 3.350 -6.353 462 HA HIS 62 HA HIS 62 6.139 5.473 -8.341 463 HB2 HIS 62 1HB HIS 62 6.938 2.932 -9.044 464 HB3 HIS 62 2HB HIS 62 5.211 2.859 -9.330 465 HD1 HIS 62 1HD HIS 62 7.764 5.653 -10.019 466 HD2 HIS 62 2HD HIS 62 4.851 3.359 -11.981 467 HE1 HIS 62 1HE HIS 62 7.673 6.514 -12.419 468 H GLU 63 H GLU 63 3.904 5.832 -9.141 469 HA GLU 63 HA GLU 63 1.984 4.823 -7.188 470 HB2 GLU 63 1HB GLU 63 2.605 7.326 -7.098 471 HB3 GLU 63 2HB GLU 63 1.780 7.492 -8.635 472 HG2 GLU 63 1HG GLU 63 -0.073 6.055 -7.121 473 HG3 GLU 63 2HG GLU 63 0.648 7.112 -5.923 474 H LEU 64 H LEU 64 0.550 3.421 -8.096 475 HA LEU 64 HA LEU 64 0.128 3.605 -10.975 476 HB2 LEU 64 1HB LEU 64 -1.081 1.405 -9.425 477 HB3 LEU 64 2HB LEU 64 -0.259 1.388 -10.973 478 HG LEU 64 HG LEU 64 1.853 1.903 -9.371 479 HD11 LEU 64 1HD1 LEU 64 1.550 1.483 -7.216 480 HD12 LEU 64 2HD1 LEU 64 -0.193 1.291 -7.526 481 HD13 LEU 64 3HD1 LEU 64 0.882 -0.126 -7.581 482 HD21 LEU 64 1HD2 LEU 64 1.871 -0.810 -9.274 483 HD22 LEU 64 2HD2 LEU 64 0.654 -0.528 -10.543 484 HD23 LEU 64 3HD2 LEU 64 2.290 0.152 -10.712 485 H GLN 65 H GLN 65 -2.464 2.265 -10.921 486 HA GLN 65 HA GLN 65 -4.022 4.530 -9.948 487 HB2 GLN 65 1HB GLN 65 -4.224 2.792 -12.397 488 HB3 GLN 65 2HB GLN 65 -5.713 3.424 -11.723 489 HG2 GLN 65 1HG GLN 65 -3.851 5.599 -11.733 490 HG3 GLN 65 2HG GLN 65 -3.691 4.809 -13.289 491 HE21 GLN 65 1HE2 GLN 65 -5.721 6.617 -11.156 492 HE22 GLN 65 2HE2 GLN 65 -7.030 6.938 -12.245 493 HA PRO 66 HA PRO 66 -6.363 1.817 -7.499 494 HB2 PRO 66 1HB PRO 66 -8.904 2.817 -7.621 495 HB3 PRO 66 2HB PRO 66 -7.644 3.518 -6.624 496 HG2 PRO 66 1HG PRO 66 -8.752 4.509 -9.179 497 HG3 PRO 66 2HG PRO 66 -7.825 5.380 -7.974 498 HD2 PRO 66 1HD PRO 66 -6.867 4.390 -10.489 499 HD3 PRO 66 2HD PRO 66 -5.916 5.157 -9.234 500 H ASN 67 H ASN 67 -6.644 1.732 -10.744 501 HA ASN 67 HA ASN 67 -8.571 -0.444 -10.562 502 HB2 ASN 67 1HB ASN 67 -8.346 -0.022 -13.249 503 HB3 ASN 67 2HB ASN 67 -9.495 0.849 -12.252 504 HD21 ASN 67 1HD2 ASN 67 -6.356 0.936 -13.802 505 HD22 ASN 67 2HD2 ASN 67 -6.135 2.654 -13.812 506 H ASP 68 H ASP 68 -5.263 0.342 -10.782 507 HA ASP 68 HA ASP 68 -4.419 -1.505 -12.700 508 HB2 ASP 68 1HB ASP 68 -3.258 0.430 -10.941 509 HB3 ASP 68 2HB ASP 68 -2.452 -1.086 -10.589 510 H LEU 69 H LEU 69 -4.082 -3.742 -12.481 511 HA LEU 69 HA LEU 69 -5.099 -5.111 -10.296 512 HB2 LEU 69 1HB LEU 69 -3.358 -5.828 -12.625 513 HB3 LEU 69 2HB LEU 69 -3.632 -7.003 -11.354 514 HG LEU 69 HG LEU 69 -5.772 -5.675 -13.040 515 HD11 LEU 69 1HD1 LEU 69 -5.963 -8.357 -13.501 516 HD12 LEU 69 2HD1 LEU 69 -5.098 -7.199 -14.541 517 HD13 LEU 69 3HD1 LEU 69 -4.203 -8.150 -13.331 518 HD21 LEU 69 1HD2 LEU 69 -5.931 -7.032 -10.488 519 HD22 LEU 69 2HD2 LEU 69 -7.194 -6.187 -11.414 520 HD23 LEU 69 3HD2 LEU 69 -6.851 -7.903 -11.738 521 H VAL 70 H VAL 70 -4.124 -6.217 -8.533 522 HA VAL 70 HA VAL 70 -1.501 -5.101 -7.835 523 HB VAL 70 HB VAL 70 -2.625 -6.193 -5.552 524 HG11 VAL 70 1HG1 VAL 70 -1.412 -4.165 -5.465 525 HG12 VAL 70 2HG1 VAL 70 -2.497 -3.368 -6.630 526 HG13 VAL 70 3HG1 VAL 70 -3.073 -3.739 -4.988 527 HG21 VAL 70 1HG2 VAL 70 -4.788 -4.825 -7.186 528 HG22 VAL 70 2HG2 VAL 70 -4.786 -6.503 -6.593 529 HG23 VAL 70 3HG2 VAL 70 -4.889 -5.152 -5.439 530 H ILE 71 H ILE 71 -1.809 -7.326 -9.682 531 HA ILE 71 HA ILE 71 -0.181 -9.209 -8.255 532 HB ILE 71 HB ILE 71 -2.222 -10.140 -7.574 533 HG12 ILE 71 1HG1 ILE 71 -2.106 -12.004 -9.782 534 HG13 ILE 71 2HG1 ILE 71 -0.487 -11.511 -9.328 535 HG21 ILE 71 1HG2 ILE 71 -3.220 -9.919 -10.427 536 HG22 ILE 71 2HG2 ILE 71 -4.105 -10.612 -9.047 537 HG23 ILE 71 3HG2 ILE 71 -3.705 -8.878 -9.067 538 HD11 ILE 71 1HD1 ILE 71 -1.810 -13.502 -8.059 539 HD12 ILE 71 2HD1 ILE 71 -0.623 -12.467 -7.228 540 HD13 ILE 71 3HD1 ILE 71 -2.364 -12.128 -7.072 541 H SER 72 H SER 72 0.670 -7.501 -10.160 542 HA SER 72 HA SER 72 1.449 -9.294 -12.183 543 HB2 SER 72 1HB SER 72 -0.950 -8.122 -12.779 544 HB3 SER 72 2HB SER 72 0.139 -6.913 -13.428 545 HG SER 72 HG SER 72 -0.407 -8.540 -15.014 546 H LYS 73 H LYS 73 3.426 -8.599 -13.080 547 HA LYS 73 HA LYS 73 4.144 -5.807 -12.807 548 HB2 LYS 73 1HB LYS 73 4.778 -7.418 -10.709 549 HB3 LYS 73 2HB LYS 73 6.194 -7.649 -11.715 550 HG2 LYS 73 1HG LYS 73 6.969 -5.684 -10.875 551 HG3 LYS 73 2HG LYS 73 5.771 -4.886 -11.874 552 HD2 LYS 73 1HD LYS 73 4.182 -5.561 -9.766 553 HD3 LYS 73 2HD LYS 73 5.717 -5.456 -8.927 554 HE2 LYS 73 1HE LYS 73 5.372 -3.208 -8.831 555 HE3 LYS 73 2HE LYS 73 5.749 -3.171 -10.542 556 HZ1 LYS 73 1HZ LYS 73 3.090 -3.405 -9.327 557 HZ2 LYS 73 2HZ LYS 73 3.658 -2.186 -10.253 558 HZ3 LYS 73 3HZ LYS 73 3.357 -3.646 -10.920 559 H SER 74 H SER 74 6.227 -5.344 -13.984 560 HA SER 74 HA SER 74 6.121 -6.346 -16.501 561 HB2 SER 74 1HB SER 74 8.532 -5.189 -15.031 562 HB3 SER 74 2HB SER 74 8.430 -5.374 -16.770 563 HG SER 74 HG SER 74 7.043 -3.563 -15.053 564 H LEU 75 H LEU 75 8.618 -7.149 -13.967 565 HA LEU 75 HA LEU 75 8.529 -9.896 -14.488 566 HB2 LEU 75 1HB LEU 75 10.940 -9.948 -15.453 567 HB3 LEU 75 2HB LEU 75 9.552 -9.779 -16.509 568 HG LEU 75 HG LEU 75 10.038 -7.192 -16.218 569 HD11 LEU 75 1HD1 LEU 75 12.576 -8.516 -15.324 570 HD12 LEU 75 2HD1 LEU 75 12.649 -7.004 -16.261 571 HD13 LEU 75 3HD1 LEU 75 11.773 -7.051 -14.712 572 HD21 LEU 75 1HD2 LEU 75 10.817 -7.229 -18.349 573 HD22 LEU 75 2HD2 LEU 75 12.001 -8.516 -18.021 574 HD23 LEU 75 3HD2 LEU 75 10.282 -8.923 -18.239 575 H GLU 76 H GLU 76 8.286 -8.459 -12.182 576 HA GLU 76 HA GLU 76 10.926 -8.529 -10.980 577 HB2 GLU 76 1HB GLU 76 8.381 -7.065 -10.425 578 HB3 GLU 76 2HB GLU 76 9.301 -7.544 -9.013 579 HG2 GLU 76 1HG GLU 76 10.657 -5.761 -9.355 580 HG3 GLU 76 2HG GLU 76 11.238 -6.532 -10.817 581 H ALA 77 H ALA 77 11.128 -9.524 -8.760 582 HA ALA 77 HA ALA 77 9.345 -11.855 -8.569 583 HB1 ALA 77 1HB ALA 77 11.175 -13.158 -8.305 584 HB2 ALA 77 2HB ALA 77 12.090 -11.776 -8.955 585 HB3 ALA 77 3HB ALA 77 11.945 -11.999 -7.195 586 H SER 78 H SER 78 11.645 -10.026 -6.425 587 HA SER 78 HA SER 78 9.755 -10.374 -4.289 588 HB2 SER 78 1HB SER 78 12.609 -9.366 -4.476 589 HB3 SER 78 2HB SER 78 11.673 -9.103 -3.018 590 HG SER 78 HG SER 78 12.850 -11.440 -3.977 591 H GLY 79 H GLY 79 9.195 -8.442 -2.863 592 HA2 GLY 79 1HA GLY 79 9.371 -5.922 -2.922 593 HA3 GLY 79 2HA GLY 79 8.767 -6.063 -4.561 594 H ARG 80 H ARG 80 7.422 -4.612 -2.471 595 HA ARG 80 HA ARG 80 5.018 -6.234 -2.355 596 HB2 ARG 80 1HB ARG 80 5.943 -4.405 -0.085 597 HB3 ARG 80 2HB ARG 80 4.545 -5.462 -0.068 598 HG2 ARG 80 1HG ARG 80 6.925 -7.001 -0.753 599 HG3 ARG 80 2HG ARG 80 7.214 -6.098 0.720 600 HD2 ARG 80 1HD ARG 80 6.029 -7.674 1.848 601 HD3 ARG 80 2HD ARG 80 4.587 -7.116 1.023 602 HE ARG 80 HE ARG 80 6.143 -9.523 0.393 603 HH11 ARG 80 2HH2 ARG 80 3.807 -7.188 -0.819 604 HH12 ARG 80 1HH2 ARG 80 3.175 -8.255 -2.027 605 HH21 ARG 80 2HH1 ARG 80 5.310 -10.932 -1.201 606 HH22 ARG 80 1HH1 ARG 80 4.036 -10.400 -2.246 607 H ILE 81 H ILE 81 3.416 -4.222 -1.009 608 HA ILE 81 HA ILE 81 3.604 -1.991 -2.910 609 HB ILE 81 HB ILE 81 1.188 -3.582 -2.068 610 HG12 ILE 81 1HG1 ILE 81 2.622 -4.362 -3.997 611 HG13 ILE 81 2HG1 ILE 81 0.927 -4.095 -4.357 612 HG21 ILE 81 1HG2 ILE 81 1.241 -0.922 -3.521 613 HG22 ILE 81 2HG2 ILE 81 -0.190 -1.947 -3.257 614 HG23 ILE 81 3HG2 ILE 81 0.643 -1.208 -1.869 615 HD11 ILE 81 1HD1 ILE 81 3.156 -2.079 -4.896 616 HD12 ILE 81 2HD1 ILE 81 2.412 -3.139 -6.116 617 HD13 ILE 81 3HD1 ILE 81 1.440 -1.877 -5.321 618 H TYR 82 H TYR 82 2.851 0.072 -2.107 619 HA TYR 82 HA TYR 82 2.693 0.138 0.832 620 HB2 TYR 82 1HB TYR 82 4.034 1.965 -1.256 621 HB3 TYR 82 2HB TYR 82 3.885 2.415 0.431 622 HD1 TYR 82 1HD TYR 82 5.443 -0.045 -1.881 623 HD2 TYR 82 2HD TYR 82 5.419 1.604 2.067 624 HE1 TYR 82 1HE TYR 82 7.630 -1.233 -1.364 625 HE2 TYR 82 2HE TYR 82 7.607 0.411 2.571 626 HH TYR 82 HH TYR 82 8.913 -1.319 1.867 627 H VAL 83 H VAL 83 1.903 2.538 1.472 628 HA VAL 83 HA VAL 83 -0.191 3.379 -0.375 629 HB VAL 83 HB VAL 83 -1.531 2.005 0.861 630 HG11 VAL 83 1HG1 VAL 83 -1.276 1.526 3.264 631 HG12 VAL 83 2HG1 VAL 83 0.206 1.146 2.355 632 HG13 VAL 83 3HG1 VAL 83 0.118 2.630 3.334 633 HG21 VAL 83 1HG2 VAL 83 -1.558 4.353 2.767 634 HG22 VAL 83 2HG2 VAL 83 -2.159 4.480 1.096 635 HG23 VAL 83 3HG2 VAL 83 -2.917 3.336 2.229 636 H TYR 84 H TYR 84 -0.354 5.582 -0.480 637 HA TYR 84 HA TYR 84 0.986 7.083 1.667 638 HB2 TYR 84 1HB TYR 84 0.953 7.320 -1.399 639 HB3 TYR 84 2HB TYR 84 1.466 8.663 -0.396 640 HD1 TYR 84 1HD TYR 84 2.174 4.973 -0.615 641 HD2 TYR 84 2HD TYR 84 3.754 8.926 -0.186 642 HE1 TYR 84 1HE TYR 84 4.534 4.031 -0.550 643 HE2 TYR 84 2HE TYR 84 6.109 7.970 -0.123 644 HH TYR 84 HH TYR 84 6.642 4.470 -0.447 645 H ARG 85 H ARG 85 0.121 9.203 2.116 646 HA ARG 85 HA ARG 85 -2.682 9.294 1.474 647 HB2 ARG 85 1HB ARG 85 -2.697 11.156 3.215 648 HB3 ARG 85 2HB ARG 85 -2.146 9.607 3.823 649 HG2 ARG 85 1HG ARG 85 -0.132 10.481 4.388 650 HG3 ARG 85 2HG ARG 85 0.135 11.040 2.749 651 HD2 ARG 85 1HD ARG 85 -0.836 13.167 3.170 652 HD3 ARG 85 2HD ARG 85 -1.738 12.593 4.559 653 HE ARG 85 HE ARG 85 1.084 12.291 5.053 654 HH11 ARG 85 2HH2 ARG 85 -1.419 14.755 4.845 655 HH12 ARG 85 1HH2 ARG 85 -0.609 15.850 5.915 656 HH21 ARG 85 2HH1 ARG 85 2.153 13.735 6.465 657 HH22 ARG 85 1HH1 ARG 85 1.436 15.266 6.843 658 H LYS 86 H LYS 86 -3.638 10.911 0.191 659 HA LYS 86 HA LYS 86 -1.788 12.544 -1.313 660 HB2 LYS 86 1HB LYS 86 -4.746 11.957 -1.571 661 HB3 LYS 86 2HB LYS 86 -3.910 13.110 -2.592 662 HG2 LYS 86 1HG LYS 86 -2.262 11.263 -3.204 663 HG3 LYS 86 2HG LYS 86 -3.266 10.138 -2.312 664 HD2 LYS 86 1HD LYS 86 -5.159 10.517 -3.798 665 HD3 LYS 86 2HD LYS 86 -4.360 11.872 -4.570 666 HE2 LYS 86 1HE LYS 86 -2.491 9.846 -4.927 667 HE3 LYS 86 2HE LYS 86 -3.999 8.957 -5.028 668 HZ1 LYS 86 1HZ LYS 86 -3.462 11.406 -6.557 669 HZ2 LYS 86 2HZ LYS 86 -3.234 9.899 -7.145 670 HZ3 LYS 86 3HZ LYS 86 -4.735 10.398 -6.737 671 H ASP 87 H ASP 87 -1.727 14.811 -1.330 672 HA ASP 87 HA ASP 87 -3.600 16.330 0.080 673 HB2 ASP 87 1HB ASP 87 -1.051 15.533 1.475 674 HB3 ASP 87 2HB ASP 87 -1.591 17.188 1.677 675 H LEU 88 H LEU 88 0.032 16.561 -0.065 676 HA LEU 88 HA LEU 88 -0.086 19.113 -1.296 677 HB2 LEU 88 1HB LEU 88 2.115 17.182 -0.610 678 HB3 LEU 88 2HB LEU 88 2.436 18.647 -1.517 679 HG LEU 88 HG LEU 88 1.223 18.522 1.259 680 HD11 LEU 88 1HD1 LEU 88 4.018 19.126 0.285 681 HD12 LEU 88 2HD1 LEU 88 3.419 19.638 1.882 682 HD13 LEU 88 3HD1 LEU 88 3.490 17.908 1.471 683 HD21 LEU 88 1HD2 LEU 88 1.658 21.005 1.231 684 HD22 LEU 88 2HD2 LEU 88 1.911 20.865 -0.525 685 HD23 LEU 88 3HD2 LEU 88 0.334 20.443 0.184 686 H ALA 89 H ALA 89 -1.152 19.084 -3.270 687 HA ALA 89 HA ALA 89 -1.532 18.639 -5.409 688 HB1 ALA 89 1HB ALA 89 0.749 19.734 -5.442 689 HB2 ALA 89 2HB ALA 89 1.460 18.106 -5.545 690 HB3 ALA 89 3HB ALA 89 0.404 18.700 -6.849 691 H ASP 90 H ASP 90 0.341 16.725 -6.994 692 HA ASP 90 HA ASP 90 -1.158 14.379 -6.230 693 HB2 ASP 90 1HB ASP 90 0.398 15.245 -8.684 694 HB3 ASP 90 2HB ASP 90 0.047 13.544 -8.449 695 H THR 91 H THR 91 1.130 15.349 -4.589 696 HA THR 91 HA THR 91 3.282 13.485 -5.231 697 HB THR 91 HB THR 91 3.216 15.388 -2.869 698 HG1 THR 91 1HG THR 91 3.757 15.958 -5.698 699 HG21 THR 91 1HG2 THR 91 5.583 15.805 -4.017 700 HG22 THR 91 2HG2 THR 91 5.342 14.357 -3.010 701 HG23 THR 91 3HG2 THR 91 5.266 14.231 -4.784 702 H LEU 92 H LEU 92 4.288 12.353 -3.223 703 HA LEU 92 HA LEU 92 2.303 11.526 -1.302 704 HB2 LEU 92 1HB LEU 92 3.380 9.657 -3.407 705 HB3 LEU 92 2HB LEU 92 2.737 9.092 -1.878 706 HG LEU 92 HG LEU 92 1.183 10.732 -3.898 707 HD11 LEU 92 1HD1 LEU 92 0.278 7.999 -3.481 708 HD12 LEU 92 2HD1 LEU 92 0.616 8.879 -4.991 709 HD13 LEU 92 3HD1 LEU 92 1.938 8.065 -4.120 710 HD21 LEU 92 1HD2 LEU 92 -0.437 10.940 -2.394 711 HD22 LEU 92 2HD2 LEU 92 -0.388 9.204 -2.004 712 HD23 LEU 92 3HD2 LEU 92 0.706 10.335 -1.171 713 H ASN 93 H ASN 93 3.292 11.320 0.639 714 HA ASN 93 HA ASN 93 6.173 10.880 0.533 715 HB2 ASN 93 1HB ASN 93 4.457 12.751 2.159 716 HB3 ASN 93 2HB ASN 93 5.832 12.042 2.982 717 HD21 ASN 93 1HD2 ASN 93 4.728 14.248 0.586 718 HD22 ASN 93 2HD2 ASN 93 6.247 14.955 0.146 719 HA PRO 94 HA PRO 94 5.331 7.504 3.203 720 HB2 PRO 94 1HB PRO 94 7.725 7.178 4.481 721 HB3 PRO 94 2HB PRO 94 7.417 6.592 2.859 722 HG2 PRO 94 1HG PRO 94 9.000 8.938 3.713 723 HG3 PRO 94 2HG PRO 94 9.025 8.097 2.175 724 HD2 PRO 94 1HD PRO 94 7.765 10.613 2.735 725 HD3 PRO 94 2HD PRO 94 7.694 9.716 1.231 726 H PHE 95 H PHE 95 3.934 7.426 4.834 727 HA PHE 95 HA PHE 95 3.504 9.399 6.577 728 HB2 PHE 95 1HB PHE 95 3.559 6.407 7.283 729 HB3 PHE 95 2HB PHE 95 2.492 7.606 7.986 730 HD1 PHE 95 2HD PHE 95 1.368 9.035 5.775 731 HD2 PHE 95 1HD PHE 95 2.331 4.910 6.040 732 HE1 PHE 95 2HE PHE 95 -0.361 8.519 4.030 733 HE2 PHE 95 1HE PHE 95 0.602 4.394 4.295 734 HZ PHE 95 HZ PHE 95 -0.723 6.205 3.311 735 H ALA 96 H ALA 96 5.506 6.485 7.455 736 HA ALA 96 HA ALA 96 7.186 8.272 9.049 737 HB1 ALA 96 1HB ALA 96 6.228 7.486 10.932 738 HB2 ALA 96 2HB ALA 96 5.314 6.249 10.036 739 HB3 ALA 96 3HB ALA 96 6.985 5.920 10.552 740 H GLU 97 H GLU 97 8.637 8.025 7.191 741 HA GLU 97 HA GLU 97 9.420 5.559 6.241 742 HB2 GLU 97 1HB GLU 97 9.853 7.980 5.342 743 HB3 GLU 97 2HB GLU 97 11.278 7.955 6.362 744 HG2 GLU 97 1HG GLU 97 11.647 5.565 5.162 745 HG3 GLU 97 2HG GLU 97 10.661 6.305 3.917 746 H ASN 98 H ASN 98 11.252 7.753 8.504 747 HA ASN 98 HA ASN 98 12.751 5.431 9.340 748 HB2 ASN 98 1HB ASN 98 13.265 8.289 9.114 749 HB3 ASN 98 2HB ASN 98 13.551 7.800 10.772 750 HD21 ASN 98 1HD2 ASN 98 15.596 7.427 11.108 751 HD22 ASN 98 2HD2 ASN 98 16.701 6.589 10.069 752 H SER 99 H SER 99 11.633 4.295 10.960 753 HA SER 99 HA SER 99 11.364 5.351 13.463 754 HB2 SER 99 1HB SER 99 9.260 6.277 11.827 755 HB3 SER 99 2HB SER 99 8.544 4.969 12.749 756 HG SER 99 HG SER 99 8.301 6.643 14.138 757 H GLY 100 H GLY 100 12.082 3.362 14.231 758 HA2 GLY 100 1HA GLY 100 10.224 1.226 14.429 759 HA3 GLY 100 2HA GLY 100 11.437 0.866 13.216 760 HA PRO 101 HA PRO 101 13.145 -0.077 17.373 761 HB2 PRO 101 1HB PRO 101 13.277 -2.801 17.196 762 HB3 PRO 101 2HB PRO 101 11.956 -1.955 17.977 763 HG2 PRO 101 1HG PRO 101 11.999 -3.292 15.341 764 HG3 PRO 101 2HG PRO 101 10.618 -2.825 16.313 765 HD2 PRO 101 1HD PRO 101 11.612 -1.480 13.982 766 HD3 PRO 101 2HD PRO 101 10.303 -0.949 15.020 767 H SER 102 H SER 102 13.858 -1.621 14.302 768 HA SER 102 HA SER 102 16.650 -1.574 15.064 769 HB2 SER 102 1HB SER 102 17.021 -3.189 13.402 770 HB3 SER 102 2HB SER 102 15.412 -3.597 13.963 771 HG SER 102 HG SER 102 16.243 -2.697 11.464 772 H SER 103 H SER 103 18.252 -0.816 13.314 773 HA SER 103 HA SER 103 19.043 0.961 12.305 774 HB2 SER 103 1HB SER 103 17.235 -0.420 10.592 775 HB3 SER 103 2HB SER 103 16.986 1.285 10.268 776 HG SER 103 HG SER 103 19.681 0.380 10.468 777 H GLY 104 H GLY 104 18.618 2.496 14.063 778 HA2 GLY 104 1HA GLY 104 17.800 4.909 13.629 779 HA3 GLY 104 2HA GLY 104 16.217 4.162 13.724 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -23.355 -11.087 -4.879 2 HA2 GLY 1 1HA GLY 1 -22.556 -10.849 -7.395 3 HA3 GLY 1 2HA GLY 1 -21.267 -11.853 -6.763 4 H SER 2 H SER 2 -21.598 -13.966 -7.292 5 HA SER 2 HA SER 2 -24.359 -14.881 -7.282 6 HB2 SER 2 1HB SER 2 -23.093 -15.132 -9.416 7 HB3 SER 2 2HB SER 2 -21.889 -16.103 -8.593 8 HG SER 2 HG SER 2 -24.422 -16.817 -9.526 9 H SER 3 H SER 3 -24.484 -17.396 -6.704 10 HA SER 3 HA SER 3 -22.833 -17.738 -4.323 11 HB2 SER 3 1HB SER 3 -25.738 -18.066 -4.824 12 HB3 SER 3 2HB SER 3 -25.018 -19.417 -3.972 13 HG SER 3 HG SER 3 -24.534 -18.152 -2.244 14 H GLY 4 H GLY 4 -21.146 -18.946 -5.319 15 HA2 GLY 4 1HA GLY 4 -21.949 -21.646 -6.180 16 HA3 GLY 4 2HA GLY 4 -20.894 -20.682 -7.194 17 H SER 5 H SER 5 -19.064 -22.051 -6.990 18 HA SER 5 HA SER 5 -17.769 -21.775 -4.416 19 HB2 SER 5 1HB SER 5 -17.770 -24.428 -5.906 20 HB3 SER 5 2HB SER 5 -17.139 -24.108 -4.303 21 HG SER 5 HG SER 5 -19.508 -23.440 -3.837 22 H SER 6 H SER 6 -16.275 -20.279 -5.294 23 HA SER 6 HA SER 6 -14.719 -21.309 -7.534 24 HB2 SER 6 1HB SER 6 -15.726 -18.609 -6.815 25 HB3 SER 6 2HB SER 6 -14.051 -18.629 -7.331 26 HG SER 6 HG SER 6 -15.776 -18.386 -9.047 27 H GLY 7 H GLY 7 -12.379 -21.152 -7.417 28 HA2 GLY 7 1HA GLY 7 -11.381 -20.786 -4.655 29 HA3 GLY 7 2HA GLY 7 -10.764 -21.965 -5.794 30 H GLU 8 H GLU 8 -10.048 -19.057 -4.389 31 HA GLU 8 HA GLU 8 -7.918 -18.548 -6.030 32 HB2 GLU 8 1HB GLU 8 -8.624 -16.406 -7.129 33 HB3 GLU 8 2HB GLU 8 -9.455 -17.812 -7.764 34 HG2 GLU 8 1HG GLU 8 -10.725 -16.316 -5.467 35 HG3 GLU 8 2HG GLU 8 -10.799 -15.601 -7.065 36 H GLU 9 H GLU 9 -7.772 -18.756 -3.459 37 HA GLU 9 HA GLU 9 -8.298 -16.213 -2.210 38 HB2 GLU 9 1HB GLU 9 -7.679 -17.357 -0.118 39 HB3 GLU 9 2HB GLU 9 -8.871 -18.292 -0.999 40 HG2 GLU 9 1HG GLU 9 -7.460 -20.064 -0.900 41 HG3 GLU 9 2HG GLU 9 -6.391 -19.212 -1.997 42 H ILE 10 H ILE 10 -6.745 -14.673 -1.764 43 HA ILE 10 HA ILE 10 -3.975 -15.428 -1.676 44 HB ILE 10 HB ILE 10 -4.820 -15.008 -4.156 45 HG12 ILE 10 1HG1 ILE 10 -2.326 -13.746 -4.187 46 HG13 ILE 10 2HG1 ILE 10 -2.285 -14.738 -2.743 47 HG21 ILE 10 1HG2 ILE 10 -4.651 -12.793 -4.924 48 HG22 ILE 10 2HG2 ILE 10 -5.663 -12.703 -3.462 49 HG23 ILE 10 3HG2 ILE 10 -3.951 -12.220 -3.390 50 HD11 ILE 10 1HD1 ILE 10 -3.316 -15.885 -5.356 51 HD12 ILE 10 2HD1 ILE 10 -1.571 -15.824 -5.008 52 HD13 ILE 10 3HD1 ILE 10 -2.659 -16.748 -3.944 53 H PHE 11 H PHE 11 -2.611 -13.340 -1.259 54 HA PHE 11 HA PHE 11 -4.267 -11.384 0.155 55 HB2 PHE 11 1HB PHE 11 -2.171 -13.305 1.112 56 HB3 PHE 11 2HB PHE 11 -1.900 -11.657 1.645 57 HD1 PHE 11 2HD PHE 11 -4.035 -10.473 2.678 58 HD2 PHE 11 1HD PHE 11 -3.501 -14.675 2.411 59 HE1 PHE 11 2HE PHE 11 -5.693 -10.802 4.533 60 HE2 PHE 11 1HE PHE 11 -5.158 -15.003 4.267 61 HZ PHE 11 HZ PHE 11 -6.235 -13.063 5.306 62 H CYS 12 H CYS 12 -3.548 -9.256 0.008 63 HA CYS 12 HA CYS 12 -1.219 -8.904 -1.716 64 HB2 CYS 12 1HB CYS 12 -3.243 -7.938 -2.626 65 HB3 CYS 12 2HB CYS 12 -3.570 -7.077 -1.136 66 HG CYS 12 HG CYS 12 -2.737 -5.213 -2.564 67 H HIS 13 H HIS 13 0.629 -7.975 -0.857 68 HA HIS 13 HA HIS 13 0.494 -7.218 1.936 69 HB2 HIS 13 1HB HIS 13 2.759 -7.835 0.036 70 HB3 HIS 13 2HB HIS 13 3.041 -7.139 1.619 71 HD1 HIS 13 1HD HIS 13 2.803 -10.330 -0.036 72 HD2 HIS 13 2HD HIS 13 1.785 -8.881 3.767 73 HE1 HIS 13 1HE HIS 13 2.592 -12.375 1.475 74 H VAL 14 H VAL 14 -0.052 -5.137 2.364 75 HA VAL 14 HA VAL 14 1.001 -3.100 0.526 76 HB VAL 14 HB VAL 14 -1.584 -3.486 1.922 77 HG11 VAL 14 1HG1 VAL 14 -1.014 -1.546 3.130 78 HG12 VAL 14 2HG1 VAL 14 -0.202 -0.804 1.730 79 HG13 VAL 14 3HG1 VAL 14 -1.975 -0.952 1.755 80 HG21 VAL 14 1HG2 VAL 14 -1.597 -3.756 -0.434 81 HG22 VAL 14 2HG2 VAL 14 -2.343 -2.170 -0.124 82 HG23 VAL 14 3HG2 VAL 14 -0.657 -2.265 -0.689 83 H TYR 15 H TYR 15 2.906 -2.395 1.389 84 HA TYR 15 HA TYR 15 3.283 -2.326 4.227 85 HB2 TYR 15 1HB TYR 15 4.735 -1.553 1.650 86 HB3 TYR 15 2HB TYR 15 5.393 -0.993 3.175 87 HD1 TYR 15 1HD TYR 15 3.729 -4.278 2.651 88 HD2 TYR 15 2HD TYR 15 7.438 -2.212 3.174 89 HE1 TYR 15 1HE TYR 15 4.931 -6.498 2.952 90 HE2 TYR 15 2HE TYR 15 8.628 -4.439 3.474 91 HH TYR 15 HH TYR 15 7.086 -7.225 4.173 92 H ILE 16 H ILE 16 3.485 -0.500 5.580 93 HA ILE 16 HA ILE 16 2.292 1.921 4.432 94 HB ILE 16 HB ILE 16 2.397 1.024 7.313 95 HG12 ILE 16 1HG1 ILE 16 -0.029 0.993 5.511 96 HG13 ILE 16 2HG1 ILE 16 1.016 -0.402 5.687 97 HG21 ILE 16 1HG2 ILE 16 1.293 2.916 7.903 98 HG22 ILE 16 2HG2 ILE 16 2.170 3.560 6.493 99 HG23 ILE 16 3HG2 ILE 16 0.467 3.065 6.333 100 HD11 ILE 16 1HD1 ILE 16 0.238 -0.878 7.782 101 HD12 ILE 16 2HD1 ILE 16 0.255 0.833 8.274 102 HD13 ILE 16 3HD1 ILE 16 -1.118 0.189 7.343 103 H THR 17 H THR 17 4.726 0.828 6.901 104 HA THR 17 HA THR 17 6.240 3.272 6.255 105 HB THR 17 HB THR 17 6.907 3.316 8.549 106 HG1 THR 17 1HG THR 17 6.952 1.354 9.711 107 HG21 THR 17 1HG2 THR 17 4.365 3.660 8.292 108 HG22 THR 17 2HG2 THR 17 4.179 1.947 8.740 109 HG23 THR 17 3HG2 THR 17 4.894 3.097 9.896 110 H GLU 18 H GLU 18 8.386 1.768 8.018 111 HA GLU 18 HA GLU 18 9.606 0.605 5.678 112 HB2 GLU 18 1HB GLU 18 10.702 2.295 7.367 113 HB3 GLU 18 2HB GLU 18 10.934 0.890 8.388 114 HG2 GLU 18 1HG GLU 18 12.553 -0.014 7.018 115 HG3 GLU 18 2HG GLU 18 11.745 0.492 5.548 116 H HIS 19 H HIS 19 8.215 -0.277 8.819 117 HA HIS 19 HA HIS 19 8.641 -3.068 8.099 118 HB2 HIS 19 1HB HIS 19 8.985 -2.128 10.945 119 HB3 HIS 19 2HB HIS 19 9.380 -3.691 10.258 120 HD1 HIS 19 1HD HIS 19 11.562 -3.826 8.742 121 HD2 HIS 19 2HD HIS 19 10.968 -0.169 10.709 122 HE1 HIS 19 1HE HIS 19 13.782 -2.576 8.612 123 H SER 20 H SER 20 6.349 -1.518 7.564 124 HA SER 20 HA SER 20 4.515 -2.825 9.389 125 HB2 SER 20 1HB SER 20 3.922 -0.012 8.438 126 HB3 SER 20 2HB SER 20 3.204 -0.887 9.776 127 HG SER 20 HG SER 20 4.694 0.703 10.554 128 H TYR 21 H TYR 21 2.576 -3.549 8.370 129 HA TYR 21 HA TYR 21 1.964 -2.687 5.702 130 HB2 TYR 21 1HB TYR 21 2.548 -4.773 4.640 131 HB3 TYR 21 2HB TYR 21 3.900 -4.506 5.721 132 HD1 TYR 21 2HD TYR 21 3.535 -5.533 8.185 133 HD2 TYR 21 1HD TYR 21 1.568 -6.876 4.630 134 HE1 TYR 21 2HE TYR 21 3.106 -7.794 9.267 135 HE2 TYR 21 1HE TYR 21 1.146 -9.132 5.725 136 HH TYR 21 HH TYR 21 1.001 -10.115 7.818 137 H VAL 22 H VAL 22 0.183 -4.466 4.830 138 HA VAL 22 HA VAL 22 -1.453 -5.307 7.086 139 HB VAL 22 HB VAL 22 -2.394 -3.217 6.843 140 HG11 VAL 22 1HG1 VAL 22 -1.063 -2.517 4.887 141 HG12 VAL 22 2HG1 VAL 22 -2.147 -3.447 3.824 142 HG13 VAL 22 3HG1 VAL 22 -2.773 -2.048 4.731 143 HG21 VAL 22 1HG2 VAL 22 -3.958 -4.874 4.835 144 HG22 VAL 22 2HG2 VAL 22 -4.075 -5.035 6.604 145 HG23 VAL 22 3HG2 VAL 22 -4.570 -3.518 5.813 146 H SER 23 H SER 23 -2.483 -7.233 6.685 147 HA SER 23 HA SER 23 -1.908 -8.391 4.115 148 HB2 SER 23 1HB SER 23 -2.280 -10.486 5.132 149 HB3 SER 23 2HB SER 23 -1.576 -9.534 6.424 150 HG SER 23 HG SER 23 -3.401 -10.608 7.257 151 H VAL 24 H VAL 24 -3.374 -7.729 2.548 152 HA VAL 24 HA VAL 24 -6.197 -7.660 3.305 153 HB VAL 24 HB VAL 24 -4.698 -6.582 0.910 154 HG11 VAL 24 1HG1 VAL 24 -6.657 -5.896 -0.048 155 HG12 VAL 24 2HG1 VAL 24 -7.253 -7.360 0.769 156 HG13 VAL 24 3HG1 VAL 24 -7.506 -5.762 1.511 157 HG21 VAL 24 1HG2 VAL 24 -4.163 -4.968 2.387 158 HG22 VAL 24 2HG2 VAL 24 -5.851 -4.444 2.181 159 HG23 VAL 24 3HG2 VAL 24 -5.403 -5.485 3.554 160 H LYS 25 H LYS 25 -7.515 -9.323 2.773 161 HA LYS 25 HA LYS 25 -6.433 -11.345 0.984 162 HB2 LYS 25 1HB LYS 25 -7.685 -11.548 3.394 163 HB3 LYS 25 2HB LYS 25 -9.046 -11.767 2.313 164 HG2 LYS 25 1HG LYS 25 -7.868 -13.585 1.125 165 HG3 LYS 25 2HG LYS 25 -6.423 -13.316 2.080 166 HD2 LYS 25 1HD LYS 25 -7.696 -13.900 4.160 167 HD3 LYS 25 2HD LYS 25 -9.132 -14.183 3.197 168 HE2 LYS 25 1HE LYS 25 -6.961 -15.686 2.019 169 HE3 LYS 25 2HE LYS 25 -6.966 -16.006 3.742 170 HZ1 LYS 25 1HZ LYS 25 -8.431 -17.479 2.541 171 HZ2 LYS 25 2HZ LYS 25 -9.287 -16.562 3.587 172 HZ3 LYS 25 3HZ LYS 25 -9.317 -16.221 1.990 173 H ALA 26 H ALA 26 -6.682 -10.676 -1.123 174 HA ALA 26 HA ALA 26 -9.426 -9.936 -1.882 175 HB1 ALA 26 1HB ALA 26 -8.564 -8.103 -2.851 176 HB2 ALA 26 2HB ALA 26 -6.956 -8.543 -2.227 177 HB3 ALA 26 3HB ALA 26 -7.475 -9.115 -3.830 178 H LYS 27 H LYS 27 -9.504 -10.314 -4.514 179 HA LYS 27 HA LYS 27 -9.289 -13.151 -4.739 180 HB2 LYS 27 1HB LYS 27 -10.066 -11.150 -6.876 181 HB3 LYS 27 2HB LYS 27 -10.433 -12.863 -6.835 182 HG2 LYS 27 1HG LYS 27 -11.318 -11.505 -4.376 183 HG3 LYS 27 2HG LYS 27 -12.031 -10.782 -5.804 184 HD2 LYS 27 1HD LYS 27 -12.217 -13.552 -6.291 185 HD3 LYS 27 2HD LYS 27 -12.564 -13.406 -4.580 186 HE2 LYS 27 1HE LYS 27 -13.908 -11.585 -6.616 187 HE3 LYS 27 2HE LYS 27 -14.553 -13.174 -6.257 188 HZ1 LYS 27 1HZ LYS 27 -14.953 -12.574 -4.076 189 HZ2 LYS 27 2HZ LYS 27 -13.950 -11.286 -4.108 190 HZ3 LYS 27 3HZ LYS 27 -15.376 -11.231 -4.902 191 H VAL 28 H VAL 28 -8.416 -13.936 -7.077 192 HA VAL 28 HA VAL 28 -5.610 -13.320 -6.965 193 HB VAL 28 HB VAL 28 -6.603 -15.608 -7.212 194 HG11 VAL 28 1HG1 VAL 28 -6.908 -15.220 -10.144 195 HG12 VAL 28 2HG1 VAL 28 -7.791 -16.286 -9.026 196 HG13 VAL 28 3HG1 VAL 28 -8.202 -14.557 -9.117 197 HG21 VAL 28 1HG2 VAL 28 -4.790 -16.407 -8.427 198 HG22 VAL 28 2HG2 VAL 28 -4.828 -15.051 -9.580 199 HG23 VAL 28 3HG2 VAL 28 -4.225 -14.796 -7.924 200 H SER 29 H SER 29 -8.261 -11.801 -8.325 201 HA SER 29 HA SER 29 -6.529 -10.629 -10.335 202 HB2 SER 29 1HB SER 29 -9.453 -11.152 -10.945 203 HB3 SER 29 2HB SER 29 -8.168 -10.739 -12.063 204 HG SER 29 HG SER 29 -7.988 -13.168 -10.545 205 H SER 30 H SER 30 -7.451 -9.888 -7.569 206 HA SER 30 HA SER 30 -9.466 -7.935 -7.907 207 HB2 SER 30 1HB SER 30 -8.233 -9.256 -5.748 208 HB3 SER 30 2HB SER 30 -7.747 -7.584 -5.549 209 HG SER 30 HG SER 30 -10.378 -8.719 -5.534 210 H ILE 31 H ILE 31 -9.206 -5.597 -7.797 211 HA ILE 31 HA ILE 31 -6.705 -4.747 -8.980 212 HB ILE 31 HB ILE 31 -7.986 -2.554 -9.134 213 HG12 ILE 31 1HG1 ILE 31 -10.417 -4.262 -8.591 214 HG13 ILE 31 2HG1 ILE 31 -9.649 -3.328 -7.323 215 HG21 ILE 31 1HG2 ILE 31 -9.074 -4.995 -10.563 216 HG22 ILE 31 2HG2 ILE 31 -9.233 -3.304 -11.096 217 HG23 ILE 31 3HG2 ILE 31 -7.627 -4.067 -11.023 218 HD11 ILE 31 1HD1 ILE 31 -11.183 -1.760 -8.096 219 HD12 ILE 31 2HD1 ILE 31 -9.797 -1.359 -9.137 220 HD13 ILE 31 3HD1 ILE 31 -11.120 -2.369 -9.767 221 H ALA 32 H ALA 32 -5.715 -2.634 -8.162 222 HA ALA 32 HA ALA 32 -4.848 -2.988 -5.562 223 HB1 ALA 32 1HB ALA 32 -4.321 -1.302 -7.762 224 HB2 ALA 32 2HB ALA 32 -4.720 -0.211 -6.414 225 HB3 ALA 32 3HB ALA 32 -3.407 -1.399 -6.237 226 H GLN 33 H GLN 33 -7.510 -0.967 -6.912 227 HA GLN 33 HA GLN 33 -8.077 0.468 -4.664 228 HB2 GLN 33 1HB GLN 33 -9.139 1.001 -6.764 229 HB3 GLN 33 2HB GLN 33 -9.870 -0.587 -6.883 230 HG2 GLN 33 1HG GLN 33 -11.698 0.560 -6.051 231 HG3 GLN 33 2HG GLN 33 -10.958 0.121 -4.524 232 HE21 GLN 33 1HE2 GLN 33 -9.417 1.650 -3.575 233 HE22 GLN 33 2HE2 GLN 33 -9.698 3.352 -3.735 234 H GLU 34 H GLU 34 -9.008 -2.884 -5.555 235 HA GLU 34 HA GLU 34 -10.873 -3.226 -3.530 236 HB2 GLU 34 1HB GLU 34 -9.158 -5.140 -5.146 237 HB3 GLU 34 2HB GLU 34 -10.241 -5.737 -3.903 238 HG2 GLU 34 1HG GLU 34 -11.553 -3.768 -5.669 239 HG3 GLU 34 2HG GLU 34 -10.934 -5.145 -6.560 240 H ILE 35 H ILE 35 -7.502 -2.720 -3.359 241 HA ILE 35 HA ILE 35 -7.341 -4.138 -0.795 242 HB ILE 35 HB ILE 35 -5.027 -3.087 -2.404 243 HG12 ILE 35 1HG1 ILE 35 -6.162 -4.540 -3.926 244 HG13 ILE 35 2HG1 ILE 35 -4.771 -5.399 -3.294 245 HG21 ILE 35 1HG2 ILE 35 -3.709 -4.050 -0.874 246 HG22 ILE 35 2HG2 ILE 35 -5.156 -4.041 0.161 247 HG23 ILE 35 3HG2 ILE 35 -4.731 -5.503 -0.761 248 HD11 ILE 35 1HD1 ILE 35 -6.985 -6.712 -3.385 249 HD12 ILE 35 2HD1 ILE 35 -6.118 -6.742 -1.831 250 HD13 ILE 35 3HD1 ILE 35 -7.531 -5.681 -2.041 251 H LEU 36 H LEU 36 -6.710 -1.025 -2.506 252 HA LEU 36 HA LEU 36 -5.776 0.367 -0.287 253 HB2 LEU 36 1HB LEU 36 -5.592 1.046 -2.661 254 HB3 LEU 36 2HB LEU 36 -7.306 1.412 -2.674 255 HG LEU 36 HG LEU 36 -6.720 3.006 -0.677 256 HD11 LEU 36 1HD1 LEU 36 -4.156 1.986 -1.243 257 HD12 LEU 36 2HD1 LEU 36 -4.163 3.669 -1.823 258 HD13 LEU 36 3HD1 LEU 36 -4.592 3.308 -0.133 259 HD21 LEU 36 1HD2 LEU 36 -5.933 4.738 -2.502 260 HD22 LEU 36 2HD2 LEU 36 -6.360 3.418 -3.618 261 HD23 LEU 36 3HD2 LEU 36 -7.585 4.077 -2.506 262 H LYS 37 H LYS 37 -9.096 -0.327 -1.468 263 HA LYS 37 HA LYS 37 -10.413 1.413 0.277 264 HB2 LYS 37 1HB LYS 37 -12.402 0.144 -0.288 265 HB3 LYS 37 2HB LYS 37 -11.438 0.429 -1.722 266 HG2 LYS 37 1HG LYS 37 -11.375 -1.801 -2.107 267 HG3 LYS 37 2HG LYS 37 -10.478 -2.022 -0.618 268 HD2 LYS 37 1HD LYS 37 -12.738 -1.993 0.615 269 HD3 LYS 37 2HD LYS 37 -13.509 -2.056 -0.957 270 HE2 LYS 37 1HE LYS 37 -11.523 -4.097 -1.012 271 HE3 LYS 37 2HE LYS 37 -12.269 -4.218 0.569 272 HZ1 LYS 37 1HZ LYS 37 -14.427 -4.009 -0.780 273 HZ2 LYS 37 2HZ LYS 37 -13.512 -4.484 -2.047 274 HZ3 LYS 37 3HZ LYS 37 -13.653 -5.447 -0.735 275 H VAL 38 H VAL 38 -8.949 -1.791 0.700 276 HA VAL 38 HA VAL 38 -10.261 -2.203 3.230 277 HB VAL 38 HB VAL 38 -7.948 -3.703 1.995 278 HG11 VAL 38 1HG1 VAL 38 -9.273 -5.581 3.317 279 HG12 VAL 38 2HG1 VAL 38 -8.090 -4.532 4.134 280 HG13 VAL 38 3HG1 VAL 38 -9.830 -4.188 4.275 281 HG21 VAL 38 1HG2 VAL 38 -9.295 -4.728 0.518 282 HG22 VAL 38 2HG2 VAL 38 -10.622 -4.882 1.695 283 HG23 VAL 38 3HG2 VAL 38 -10.407 -3.365 0.790 284 H VAL 39 H VAL 39 -6.837 -1.702 2.105 285 HA VAL 39 HA VAL 39 -5.652 -1.492 4.544 286 HB VAL 39 HB VAL 39 -5.101 0.039 1.995 287 HG11 VAL 39 1HG1 VAL 39 -3.924 0.357 4.572 288 HG12 VAL 39 2HG1 VAL 39 -2.734 -0.454 3.528 289 HG13 VAL 39 3HG1 VAL 39 -3.439 1.102 3.031 290 HG21 VAL 39 1HG2 VAL 39 -3.799 -1.736 1.286 291 HG22 VAL 39 2HG2 VAL 39 -3.553 -2.359 2.935 292 HG23 VAL 39 3HG2 VAL 39 -5.120 -2.587 2.122 293 H ALA 40 H ALA 40 -7.097 1.223 2.605 294 HA ALA 40 HA ALA 40 -6.650 3.311 4.208 295 HB1 ALA 40 1HB ALA 40 -7.865 3.531 2.142 296 HB2 ALA 40 2HB ALA 40 -9.198 2.521 2.750 297 HB3 ALA 40 3HB ALA 40 -8.920 4.138 3.440 298 H GLU 41 H GLU 41 -9.107 0.723 4.737 299 HA GLU 41 HA GLU 41 -10.129 1.977 7.046 300 HB2 GLU 41 1HB GLU 41 -10.372 -0.976 6.362 301 HB3 GLU 41 2HB GLU 41 -11.493 0.009 7.281 302 HG2 GLU 41 1HG GLU 41 -11.099 1.243 4.688 303 HG3 GLU 41 2HG GLU 41 -11.461 -0.454 4.446 304 H LYS 42 H LYS 42 -7.745 -0.648 6.385 305 HA LYS 42 HA LYS 42 -7.369 -1.475 9.002 306 HB2 LYS 42 1HB LYS 42 -6.132 -1.856 6.419 307 HB3 LYS 42 2HB LYS 42 -4.895 -1.679 7.647 308 HG2 LYS 42 1HG LYS 42 -5.598 -4.053 7.406 309 HG3 LYS 42 2HG LYS 42 -5.932 -3.450 9.017 310 HD2 LYS 42 1HD LYS 42 -8.030 -4.293 8.662 311 HD3 LYS 42 2HD LYS 42 -8.293 -2.809 7.766 312 HE2 LYS 42 1HE LYS 42 -8.806 -4.173 6.007 313 HE3 LYS 42 2HE LYS 42 -7.074 -4.383 5.841 314 HZ1 LYS 42 1HZ LYS 42 -7.969 -6.505 5.999 315 HZ2 LYS 42 2HZ LYS 42 -7.343 -6.239 7.484 316 HZ3 LYS 42 3HZ LYS 42 -8.955 -6.131 7.246 317 H ILE 43 H ILE 43 -6.435 1.482 7.349 318 HA ILE 43 HA ILE 43 -4.708 2.160 9.622 319 HB ILE 43 HB ILE 43 -3.473 3.515 8.258 320 HG12 ILE 43 1HG1 ILE 43 -5.706 3.608 6.209 321 HG13 ILE 43 2HG1 ILE 43 -5.437 4.827 7.439 322 HG21 ILE 43 1HG2 ILE 43 -3.459 1.041 7.583 323 HG22 ILE 43 2HG2 ILE 43 -4.380 1.559 6.150 324 HG23 ILE 43 3HG2 ILE 43 -2.753 2.218 6.448 325 HD11 ILE 43 1HD1 ILE 43 -4.196 5.782 5.739 326 HD12 ILE 43 2HD1 ILE 43 -2.928 4.740 6.429 327 HD13 ILE 43 3HD1 ILE 43 -3.827 4.212 4.986 328 H GLN 44 H GLN 44 -7.794 2.656 8.131 329 HA GLN 44 HA GLN 44 -9.510 3.828 8.796 330 HB2 GLN 44 1HB GLN 44 -7.799 5.161 10.936 331 HB3 GLN 44 2HB GLN 44 -9.548 5.056 10.898 332 HG2 GLN 44 1HG GLN 44 -9.232 2.474 10.899 333 HG3 GLN 44 2HG GLN 44 -7.559 2.787 11.315 334 HE21 GLN 44 1HE2 GLN 44 -7.269 4.435 13.129 335 HE22 GLN 44 2HE2 GLN 44 -8.266 4.241 14.531 336 H TYR 45 H TYR 45 -8.521 4.692 6.553 337 HA TYR 45 HA TYR 45 -8.476 7.606 6.839 338 HB2 TYR 45 1HB TYR 45 -6.371 5.740 5.981 339 HB3 TYR 45 2HB TYR 45 -6.849 6.716 4.606 340 HD1 TYR 45 2HD TYR 45 -5.364 6.794 7.984 341 HD2 TYR 45 1HD TYR 45 -6.352 9.088 4.510 342 HE1 TYR 45 2HE TYR 45 -3.899 8.697 8.816 343 HE2 TYR 45 1HE TYR 45 -4.883 10.984 5.354 344 HH TYR 45 HH TYR 45 -3.605 11.701 6.934 345 H ALA 46 H ALA 46 -8.126 8.125 4.043 346 HA ALA 46 HA ALA 46 -10.643 6.992 3.033 347 HB1 ALA 46 1HB ALA 46 -11.213 9.070 2.270 348 HB2 ALA 46 2HB ALA 46 -10.109 9.602 3.560 349 HB3 ALA 46 3HB ALA 46 -9.532 9.504 1.879 350 H GLU 47 H GLU 47 -10.090 5.283 1.740 351 HA GLU 47 HA GLU 47 -7.750 4.810 0.552 352 HB2 GLU 47 1HB GLU 47 -9.101 3.493 -1.174 353 HB3 GLU 47 2HB GLU 47 -9.444 3.125 0.505 354 HG2 GLU 47 1HG GLU 47 -11.431 4.617 0.453 355 HG3 GLU 47 2HG GLU 47 -11.070 5.070 -1.201 356 H GLU 48 H GLU 48 -10.398 6.915 -0.675 357 HA GLU 48 HA GLU 48 -9.359 7.310 -3.200 358 HB2 GLU 48 1HB GLU 48 -10.727 9.497 -3.066 359 HB3 GLU 48 2HB GLU 48 -11.599 7.994 -2.838 360 HG2 GLU 48 1HG GLU 48 -11.752 8.291 -0.474 361 HG3 GLU 48 2HG GLU 48 -10.458 9.472 -0.444 362 H ASP 49 H ASP 49 -8.652 8.864 -0.050 363 HA ASP 49 HA ASP 49 -7.068 10.887 -1.251 364 HB2 ASP 49 1HB ASP 49 -7.276 9.917 1.638 365 HB3 ASP 49 2HB ASP 49 -6.402 11.353 1.144 366 H LEU 50 H LEU 50 -6.697 7.554 -0.694 367 HA LEU 50 HA LEU 50 -3.800 7.801 -0.302 368 HB2 LEU 50 1HB LEU 50 -5.666 5.483 0.219 369 HB3 LEU 50 2HB LEU 50 -3.922 5.423 0.384 370 HG LEU 50 HG LEU 50 -5.812 7.155 2.002 371 HD11 LEU 50 1HD1 LEU 50 -4.957 5.703 3.892 372 HD12 LEU 50 2HD1 LEU 50 -6.050 4.916 2.728 373 HD13 LEU 50 3HD1 LEU 50 -4.297 4.619 2.644 374 HD21 LEU 50 1HD2 LEU 50 -3.866 8.435 1.869 375 HD22 LEU 50 2HD2 LEU 50 -3.675 7.524 3.386 376 HD23 LEU 50 3HD2 LEU 50 -2.804 7.008 1.922 377 H ALA 51 H ALA 51 -2.671 5.725 -1.410 378 HA ALA 51 HA ALA 51 -3.852 4.920 -3.871 379 HB1 ALA 51 1HB ALA 51 -1.493 6.837 -4.020 380 HB2 ALA 51 2HB ALA 51 -2.358 6.084 -5.382 381 HB3 ALA 51 3HB ALA 51 -3.178 7.294 -4.367 382 H LEU 52 H LEU 52 -2.776 3.103 -4.699 383 HA LEU 52 HA LEU 52 -0.813 1.994 -2.898 384 HB2 LEU 52 1HB LEU 52 -2.353 0.930 -5.258 385 HB3 LEU 52 2HB LEU 52 -1.073 0.016 -4.486 386 HG LEU 52 HG LEU 52 -3.657 0.952 -3.211 387 HD11 LEU 52 1HD1 LEU 52 -2.708 -1.610 -4.383 388 HD12 LEU 52 2HD1 LEU 52 -3.662 -1.705 -2.883 389 HD13 LEU 52 3HD1 LEU 52 -4.340 -0.903 -4.321 390 HD21 LEU 52 1HD2 LEU 52 -2.253 1.099 -1.401 391 HD22 LEU 52 2HD2 LEU 52 -2.730 -0.613 -1.315 392 HD23 LEU 52 3HD2 LEU 52 -1.152 -0.163 -2.005 393 H VAL 53 H VAL 53 1.304 2.456 -3.117 394 HA VAL 53 HA VAL 53 2.271 2.904 -5.857 395 HB VAL 53 HB VAL 53 3.720 4.534 -5.084 396 HG11 VAL 53 1HG1 VAL 53 1.000 4.782 -4.511 397 HG12 VAL 53 2HG1 VAL 53 1.815 5.386 -3.048 398 HG13 VAL 53 3HG1 VAL 53 2.188 6.101 -4.634 399 HG21 VAL 53 1HG2 VAL 53 4.355 4.918 -2.775 400 HG22 VAL 53 2HG2 VAL 53 3.206 3.679 -2.216 401 HG23 VAL 53 3HG2 VAL 53 4.623 3.206 -3.183 402 H ALA 54 H ALA 54 3.929 1.622 -6.586 403 HA ALA 54 HA ALA 54 4.952 -0.323 -4.637 404 HB1 ALA 54 1HB ALA 54 4.899 -1.917 -6.303 405 HB2 ALA 54 2HB ALA 54 3.559 -0.883 -6.852 406 HB3 ALA 54 3HB ALA 54 5.166 -0.728 -7.600 407 H ILE 55 H ILE 55 7.176 -0.586 -4.385 408 HA ILE 55 HA ILE 55 8.777 1.455 -5.750 409 HB ILE 55 HB ILE 55 9.371 -0.036 -3.194 410 HG12 ILE 55 1HG1 ILE 55 7.884 2.513 -3.718 411 HG13 ILE 55 2HG1 ILE 55 7.538 1.232 -2.572 412 HG21 ILE 55 1HG2 ILE 55 11.329 0.818 -4.485 413 HG22 ILE 55 2HG2 ILE 55 10.662 2.460 -4.321 414 HG23 ILE 55 3HG2 ILE 55 11.141 1.545 -2.871 415 HD11 ILE 55 1HD1 ILE 55 8.390 3.273 -1.433 416 HD12 ILE 55 2HD1 ILE 55 9.490 1.894 -1.196 417 HD13 ILE 55 3HD1 ILE 55 9.896 3.164 -2.375 418 H THR 56 H THR 56 10.932 0.857 -6.517 419 HA THR 56 HA THR 56 11.072 -2.013 -7.178 420 HB THR 56 HB THR 56 10.518 -0.543 -9.125 421 HG1 THR 56 1HG THR 56 12.202 -1.534 -10.319 422 HG21 THR 56 1HG2 THR 56 11.539 1.589 -8.610 423 HG22 THR 56 2HG2 THR 56 13.109 0.827 -8.262 424 HG23 THR 56 3HG2 THR 56 12.510 0.906 -9.936 425 H PHE 57 H PHE 57 13.579 -2.295 -8.104 426 HA PHE 57 HA PHE 57 15.080 -2.531 -5.838 427 HB2 PHE 57 1HB PHE 57 15.257 -3.228 -8.482 428 HB3 PHE 57 2HB PHE 57 16.382 -1.884 -8.504 429 HD1 PHE 57 1HD PHE 57 15.694 -4.808 -6.270 430 HD2 PHE 57 2HD PHE 57 18.590 -2.479 -8.318 431 HE1 PHE 57 1HE PHE 57 17.510 -6.314 -5.414 432 HE2 PHE 57 2HE PHE 57 20.406 -3.985 -7.462 433 HZ PHE 57 HZ PHE 57 19.844 -5.885 -6.021 434 H SER 58 H SER 58 17.264 -1.463 -5.369 435 HA SER 58 HA SER 58 18.484 0.272 -4.896 436 HB2 SER 58 1HB SER 58 17.043 2.082 -6.842 437 HB3 SER 58 2HB SER 58 18.739 2.073 -6.402 438 HG SER 58 HG SER 58 18.031 -0.353 -7.509 439 H GLY 59 H GLY 59 15.278 1.744 -5.825 440 HA2 GLY 59 1HA GLY 59 13.933 2.046 -3.612 441 HA3 GLY 59 2HA GLY 59 15.242 3.155 -3.254 442 H GLU 60 H GLU 60 12.504 2.465 -5.449 443 HA GLU 60 HA GLU 60 12.337 5.300 -5.938 444 HB2 GLU 60 1HB GLU 60 12.744 3.212 -8.093 445 HB3 GLU 60 2HB GLU 60 11.823 4.660 -8.448 446 HG2 GLU 60 1HG GLU 60 13.880 5.929 -7.367 447 HG3 GLU 60 2HG GLU 60 14.740 4.429 -7.650 448 H LYS 61 H LYS 61 10.267 5.883 -5.460 449 HA LYS 61 HA LYS 61 8.277 3.894 -5.109 450 HB2 LYS 61 1HB LYS 61 8.416 6.883 -4.849 451 HB3 LYS 61 2HB LYS 61 6.852 6.092 -4.850 452 HG2 LYS 61 1HG LYS 61 7.155 5.247 -2.753 453 HG3 LYS 61 2HG LYS 61 8.770 4.678 -3.123 454 HD2 LYS 61 1HD LYS 61 8.735 7.600 -3.001 455 HD3 LYS 61 2HD LYS 61 8.061 6.926 -1.530 456 HE2 LYS 61 1HE LYS 61 10.067 5.986 -0.871 457 HE3 LYS 61 2HE LYS 61 10.539 5.574 -2.508 458 HZ1 LYS 61 1HZ LYS 61 10.723 8.193 -1.210 459 HZ2 LYS 61 2HZ LYS 61 11.935 7.290 -1.828 460 HZ3 LYS 61 3HZ LYS 61 10.868 8.018 -2.827 461 H HIS 62 H HIS 62 6.231 3.713 -6.256 462 HA HIS 62 HA HIS 62 6.098 5.014 -8.824 463 HB2 HIS 62 1HB HIS 62 7.248 2.438 -8.604 464 HB3 HIS 62 2HB HIS 62 5.642 2.197 -9.261 465 HD1 HIS 62 1HD HIS 62 8.539 4.634 -9.948 466 HD2 HIS 62 2HD HIS 62 5.659 2.357 -11.975 467 HE1 HIS 62 1HE HIS 62 8.953 5.011 -12.437 468 H GLU 63 H GLU 63 4.081 5.865 -8.726 469 HA GLU 63 HA GLU 63 2.095 4.458 -7.202 470 HB2 GLU 63 1HB GLU 63 2.547 7.036 -7.243 471 HB3 GLU 63 2HB GLU 63 1.649 7.030 -8.748 472 HG2 GLU 63 1HG GLU 63 0.236 5.474 -6.709 473 HG3 GLU 63 2HG GLU 63 0.581 7.088 -6.118 474 H LEU 64 H LEU 64 0.378 3.294 -8.043 475 HA LEU 64 HA LEU 64 0.263 3.181 -10.973 476 HB2 LEU 64 1HB LEU 64 -0.972 1.055 -9.320 477 HB3 LEU 64 2HB LEU 64 -0.152 0.958 -10.866 478 HG LEU 64 HG LEU 64 1.933 1.623 -9.234 479 HD11 LEU 64 1HD1 LEU 64 1.515 1.262 -7.089 480 HD12 LEU 64 2HD1 LEU 64 -0.161 0.801 -7.470 481 HD13 LEU 64 3HD1 LEU 64 1.120 -0.434 -7.454 482 HD21 LEU 64 1HD2 LEU 64 2.029 -1.107 -9.146 483 HD22 LEU 64 2HD2 LEU 64 0.891 -0.827 -10.486 484 HD23 LEU 64 3HD2 LEU 64 2.517 -0.106 -10.534 485 H GLN 65 H GLN 65 -2.313 1.790 -10.964 486 HA GLN 65 HA GLN 65 -3.947 4.100 -10.269 487 HB2 GLN 65 1HB GLN 65 -4.020 2.108 -12.523 488 HB3 GLN 65 2HB GLN 65 -5.548 2.770 -11.977 489 HG2 GLN 65 1HG GLN 65 -3.706 4.967 -12.155 490 HG3 GLN 65 2HG GLN 65 -3.517 4.027 -13.622 491 HE21 GLN 65 1HE2 GLN 65 -5.861 5.613 -11.514 492 HE22 GLN 65 2HE2 GLN 65 -7.064 5.952 -12.713 493 HA PRO 66 HA PRO 66 -6.343 1.625 -7.630 494 HB2 PRO 66 1HB PRO 66 -8.889 2.564 -7.951 495 HB3 PRO 66 2HB PRO 66 -7.678 3.388 -6.989 496 HG2 PRO 66 1HG PRO 66 -8.699 4.083 -9.675 497 HG3 PRO 66 2HG PRO 66 -7.830 5.092 -8.536 498 HD2 PRO 66 1HD PRO 66 -6.764 3.856 -10.895 499 HD3 PRO 66 2HD PRO 66 -5.871 4.768 -9.695 500 H ASN 67 H ASN 67 -6.578 1.245 -10.882 501 HA ASN 67 HA ASN 67 -8.407 -0.990 -10.501 502 HB2 ASN 67 1HB ASN 67 -7.878 0.912 -12.767 503 HB3 ASN 67 2HB ASN 67 -8.187 -0.749 -13.232 504 HD21 ASN 67 1HD2 ASN 67 -10.180 -0.762 -13.981 505 HD22 ASN 67 2HD2 ASN 67 -11.598 -0.200 -13.162 506 H ASP 68 H ASP 68 -5.172 -0.215 -10.561 507 HA ASP 68 HA ASP 68 -4.164 -1.992 -12.467 508 HB2 ASP 68 1HB ASP 68 -2.970 -0.031 -11.304 509 HB3 ASP 68 2HB ASP 68 -2.804 -1.064 -9.898 510 H LEU 69 H LEU 69 -3.380 -4.175 -12.173 511 HA LEU 69 HA LEU 69 -4.693 -5.653 -10.141 512 HB2 LEU 69 1HB LEU 69 -2.842 -6.247 -12.409 513 HB3 LEU 69 2HB LEU 69 -3.073 -7.463 -11.169 514 HG LEU 69 HG LEU 69 -5.147 -6.286 -13.024 515 HD11 LEU 69 1HD1 LEU 69 -3.893 -8.046 -14.040 516 HD12 LEU 69 2HD1 LEU 69 -4.057 -9.078 -12.599 517 HD13 LEU 69 3HD1 LEU 69 -5.486 -8.704 -13.592 518 HD21 LEU 69 1HD2 LEU 69 -6.472 -6.378 -11.165 519 HD22 LEU 69 2HD2 LEU 69 -6.631 -8.057 -11.735 520 HD23 LEU 69 3HD2 LEU 69 -5.515 -7.671 -10.403 521 H VAL 70 H VAL 70 -3.948 -6.441 -8.199 522 HA VAL 70 HA VAL 70 -1.257 -5.534 -7.461 523 HB VAL 70 HB VAL 70 -2.544 -6.215 -5.137 524 HG11 VAL 70 1HG1 VAL 70 -2.795 -3.758 -4.814 525 HG12 VAL 70 2HG1 VAL 70 -1.197 -4.226 -5.444 526 HG13 VAL 70 3HG1 VAL 70 -2.415 -3.524 -6.537 527 HG21 VAL 70 1HG2 VAL 70 -4.591 -5.016 -7.030 528 HG22 VAL 70 2HG2 VAL 70 -4.684 -6.582 -6.189 529 HG23 VAL 70 3HG2 VAL 70 -4.762 -5.066 -5.259 530 H ILE 71 H ILE 71 -1.833 -7.944 -9.073 531 HA ILE 71 HA ILE 71 -0.264 -9.754 -7.586 532 HB ILE 71 HB ILE 71 -2.098 -10.386 -6.335 533 HG12 ILE 71 1HG1 ILE 71 -2.600 -12.372 -8.500 534 HG13 ILE 71 2HG1 ILE 71 -0.948 -12.206 -7.941 535 HG21 ILE 71 1HG2 ILE 71 -3.754 -9.052 -7.629 536 HG22 ILE 71 2HG2 ILE 71 -3.858 -10.389 -8.800 537 HG23 ILE 71 3HG2 ILE 71 -4.357 -10.644 -7.110 538 HD11 ILE 71 1HD1 ILE 71 -3.286 -13.366 -6.563 539 HD12 ILE 71 2HD1 ILE 71 -1.550 -13.623 -6.264 540 HD13 ILE 71 3HD1 ILE 71 -2.378 -12.219 -5.549 541 H SER 72 H SER 72 0.659 -8.867 -9.756 542 HA SER 72 HA SER 72 0.007 -10.891 -11.728 543 HB2 SER 72 1HB SER 72 -1.123 -8.651 -12.270 544 HB3 SER 72 2HB SER 72 0.481 -7.977 -12.479 545 HG SER 72 HG SER 72 -0.155 -10.385 -13.880 546 H LYS 73 H LYS 73 2.205 -8.170 -10.756 547 HA LYS 73 HA LYS 73 4.383 -8.827 -12.276 548 HB2 LYS 73 1HB LYS 73 3.992 -7.447 -9.644 549 HB3 LYS 73 2HB LYS 73 5.623 -7.821 -10.162 550 HG2 LYS 73 1HG LYS 73 4.089 -6.714 -12.391 551 HG3 LYS 73 2HG LYS 73 4.005 -5.640 -11.009 552 HD2 LYS 73 1HD LYS 73 6.029 -4.865 -11.732 553 HD3 LYS 73 2HD LYS 73 6.684 -6.304 -10.976 554 HE2 LYS 73 1HE LYS 73 5.800 -7.212 -13.496 555 HE3 LYS 73 2HE LYS 73 6.478 -5.632 -13.835 556 HZ1 LYS 73 1HZ LYS 73 8.482 -6.461 -13.555 557 HZ2 LYS 73 2HZ LYS 73 8.139 -7.013 -12.056 558 HZ3 LYS 73 3HZ LYS 73 7.851 -7.955 -13.359 559 H SER 74 H SER 74 5.473 -10.698 -12.497 560 HA SER 74 HA SER 74 6.115 -12.125 -10.071 561 HB2 SER 74 1HB SER 74 4.318 -13.122 -12.230 562 HB3 SER 74 2HB SER 74 5.565 -14.249 -11.733 563 HG SER 74 HG SER 74 3.297 -13.355 -10.344 564 H LEU 75 H LEU 75 8.030 -10.680 -11.101 565 HA LEU 75 HA LEU 75 9.825 -12.570 -12.248 566 HB2 LEU 75 1HB LEU 75 8.523 -10.528 -13.962 567 HB3 LEU 75 2HB LEU 75 10.254 -10.722 -14.147 568 HG LEU 75 HG LEU 75 9.075 -13.330 -14.130 569 HD11 LEU 75 1HD1 LEU 75 7.701 -13.087 -16.234 570 HD12 LEU 75 2HD1 LEU 75 6.959 -12.451 -14.746 571 HD13 LEU 75 3HD1 LEU 75 7.684 -11.334 -15.927 572 HD21 LEU 75 1HD2 LEU 75 10.349 -11.719 -16.360 573 HD22 LEU 75 2HD2 LEU 75 11.203 -12.731 -15.170 574 HD23 LEU 75 3HD2 LEU 75 10.098 -13.482 -16.347 575 H GLU 76 H GLU 76 10.376 -11.829 -9.922 576 HA GLU 76 HA GLU 76 12.622 -10.278 -10.058 577 HB2 GLU 76 1HB GLU 76 10.161 -8.700 -9.716 578 HB3 GLU 76 2HB GLU 76 11.291 -8.443 -8.401 579 HG2 GLU 76 1HG GLU 76 12.985 -8.384 -10.597 580 HG3 GLU 76 2HG GLU 76 11.524 -7.689 -11.270 581 H ALA 77 H ALA 77 9.753 -10.889 -7.915 582 HA ALA 77 HA ALA 77 9.583 -11.778 -5.897 583 HB1 ALA 77 1HB ALA 77 11.656 -13.273 -7.257 584 HB2 ALA 77 2HB ALA 77 12.008 -13.199 -5.513 585 HB3 ALA 77 3HB ALA 77 10.448 -13.842 -6.079 586 H SER 78 H SER 78 10.195 -9.184 -5.756 587 HA SER 78 HA SER 78 11.418 -8.953 -3.303 588 HB2 SER 78 1HB SER 78 13.488 -7.690 -3.913 589 HB3 SER 78 2HB SER 78 13.550 -9.370 -4.410 590 HG SER 78 HG SER 78 12.600 -7.364 -6.238 591 H GLY 79 H GLY 79 9.101 -7.982 -3.719 592 HA2 GLY 79 1HA GLY 79 9.442 -5.104 -3.994 593 HA3 GLY 79 2HA GLY 79 8.389 -5.868 -5.168 594 H ARG 80 H ARG 80 7.114 -4.067 -3.665 595 HA ARG 80 HA ARG 80 5.210 -5.606 -2.350 596 HB2 ARG 80 1HB ARG 80 7.322 -4.298 -0.660 597 HB3 ARG 80 2HB ARG 80 5.672 -4.111 -0.102 598 HG2 ARG 80 1HG ARG 80 5.750 -6.204 0.760 599 HG3 ARG 80 2HG ARG 80 5.913 -6.848 -0.862 600 HD2 ARG 80 1HD ARG 80 8.477 -6.154 -0.553 601 HD3 ARG 80 2HD ARG 80 8.082 -6.220 1.153 602 HE ARG 80 HE ARG 80 7.053 -8.590 -0.022 603 HH11 ARG 80 2HH2 ARG 80 10.181 -7.085 0.557 604 HH12 ARG 80 1HH2 ARG 80 11.031 -8.592 0.650 605 HH21 ARG 80 2HH1 ARG 80 8.175 -10.577 0.100 606 HH22 ARG 80 1HH1 ARG 80 9.883 -10.591 0.387 607 H ILE 81 H ILE 81 3.266 -4.406 -2.220 608 HA ILE 81 HA ILE 81 3.361 -1.805 -3.429 609 HB ILE 81 HB ILE 81 1.112 -3.565 -2.456 610 HG12 ILE 81 1HG1 ILE 81 2.429 -4.336 -4.439 611 HG13 ILE 81 2HG1 ILE 81 0.726 -4.066 -4.752 612 HG21 ILE 81 1HG2 ILE 81 0.244 -1.518 -4.269 613 HG22 ILE 81 2HG2 ILE 81 -0.317 -1.879 -2.619 614 HG23 ILE 81 3HG2 ILE 81 1.050 -0.768 -2.871 615 HD11 ILE 81 1HD1 ILE 81 2.138 -1.580 -5.200 616 HD12 ILE 81 2HD1 ILE 81 2.958 -2.885 -6.089 617 HD13 ILE 81 3HD1 ILE 81 1.229 -2.568 -6.369 618 H TYR 82 H TYR 82 2.854 0.186 -2.476 619 HA TYR 82 HA TYR 82 2.647 0.104 0.459 620 HB2 TYR 82 1HB TYR 82 4.087 2.006 -1.494 621 HB3 TYR 82 2HB TYR 82 3.979 2.307 0.229 622 HD1 TYR 82 2HD TYR 82 5.468 0.122 -2.356 623 HD2 TYR 82 1HD TYR 82 5.392 1.138 1.799 624 HE1 TYR 82 2HE TYR 82 7.592 -1.224 -1.981 625 HE2 TYR 82 1HE TYR 82 7.517 -0.211 2.160 626 HH TYR 82 HH TYR 82 8.604 -2.449 0.084 627 H VAL 83 H VAL 83 1.973 2.509 1.215 628 HA VAL 83 HA VAL 83 -0.022 3.581 -0.614 629 HB VAL 83 HB VAL 83 -1.340 2.012 0.536 630 HG11 VAL 83 1HG1 VAL 83 -0.563 1.104 2.424 631 HG12 VAL 83 2HG1 VAL 83 0.524 2.483 2.714 632 HG13 VAL 83 3HG1 VAL 83 -1.162 2.543 3.283 633 HG21 VAL 83 1HG2 VAL 83 -2.151 4.436 0.452 634 HG22 VAL 83 2HG2 VAL 83 -2.964 3.354 1.608 635 HG23 VAL 83 3HG2 VAL 83 -1.746 4.517 2.184 636 H TYR 84 H TYR 84 0.063 5.776 -0.611 637 HA TYR 84 HA TYR 84 1.380 7.023 1.708 638 HB2 TYR 84 1HB TYR 84 1.369 7.520 -1.326 639 HB3 TYR 84 2HB TYR 84 1.919 8.762 -0.219 640 HD1 TYR 84 2HD TYR 84 2.498 5.058 -0.553 641 HD2 TYR 84 1HD TYR 84 4.222 8.954 -0.152 642 HE1 TYR 84 2HE TYR 84 4.826 4.037 -0.555 643 HE2 TYR 84 1HE TYR 84 6.544 7.919 -0.156 644 HH TYR 84 HH TYR 84 7.499 5.641 0.480 645 H ARG 85 H ARG 85 0.673 9.228 2.233 646 HA ARG 85 HA ARG 85 -2.152 9.432 1.806 647 HB2 ARG 85 1HB ARG 85 -0.172 10.969 3.551 648 HB3 ARG 85 2HB ARG 85 -1.862 11.420 3.445 649 HG2 ARG 85 1HG ARG 85 -2.568 9.611 4.685 650 HG3 ARG 85 2HG ARG 85 -1.401 8.523 3.960 651 HD2 ARG 85 1HD ARG 85 -0.821 8.815 6.317 652 HD3 ARG 85 2HD ARG 85 0.418 9.585 5.346 653 HE ARG 85 HE ARG 85 -1.735 11.421 6.081 654 HH11 ARG 85 2HH2 ARG 85 1.290 9.980 7.155 655 HH12 ARG 85 1HH2 ARG 85 1.656 11.262 8.260 656 HH21 ARG 85 2HH1 ARG 85 -1.252 13.113 7.539 657 HH22 ARG 85 1HH1 ARG 85 0.201 13.056 8.480 658 H LYS 86 H LYS 86 -3.161 10.985 0.507 659 HA LYS 86 HA LYS 86 -1.458 12.473 -1.254 660 HB2 LYS 86 1HB LYS 86 -4.433 12.028 -1.027 661 HB3 LYS 86 2HB LYS 86 -3.779 13.228 -2.123 662 HG2 LYS 86 1HG LYS 86 -2.163 11.178 -2.817 663 HG3 LYS 86 2HG LYS 86 -3.503 10.229 -2.204 664 HD2 LYS 86 1HD LYS 86 -4.374 10.481 -4.303 665 HD3 LYS 86 2HD LYS 86 -4.863 12.066 -3.739 666 HE2 LYS 86 1HE LYS 86 -2.551 12.915 -4.533 667 HE3 LYS 86 2HE LYS 86 -2.354 11.364 -5.325 668 HZ1 LYS 86 1HZ LYS 86 -4.286 13.462 -5.905 669 HZ2 LYS 86 2HZ LYS 86 -3.320 12.638 -6.932 670 HZ3 LYS 86 3HZ LYS 86 -4.645 11.920 -6.302 671 H ASP 87 H ASP 87 -1.192 14.718 -1.370 672 HA ASP 87 HA ASP 87 -1.916 16.044 1.101 673 HB2 ASP 87 1HB ASP 87 -0.249 17.477 -0.910 674 HB3 ASP 87 2HB ASP 87 -0.021 17.332 0.822 675 H LEU 88 H LEU 88 -1.647 16.750 -2.474 676 HA LEU 88 HA LEU 88 -4.257 17.651 -2.756 677 HB2 LEU 88 1HB LEU 88 -4.285 19.861 -2.400 678 HB3 LEU 88 2HB LEU 88 -3.047 19.452 -1.229 679 HG LEU 88 HG LEU 88 -1.307 20.035 -2.932 680 HD11 LEU 88 1HD1 LEU 88 -1.875 20.239 -5.066 681 HD12 LEU 88 2HD1 LEU 88 -3.606 20.145 -4.659 682 HD13 LEU 88 3HD1 LEU 88 -2.774 21.719 -4.652 683 HD21 LEU 88 1HD2 LEU 88 -2.414 22.611 -2.907 684 HD22 LEU 88 2HD2 LEU 88 -3.053 21.802 -1.456 685 HD23 LEU 88 3HD2 LEU 88 -1.296 21.895 -1.721 686 H ALA 89 H ALA 89 -0.808 17.888 -3.703 687 HA ALA 89 HA ALA 89 -1.617 18.160 -6.491 688 HB1 ALA 89 1HB ALA 89 0.361 19.364 -5.061 689 HB2 ALA 89 2HB ALA 89 1.253 17.974 -5.724 690 HB3 ALA 89 3HB ALA 89 0.432 19.110 -6.821 691 H ASP 90 H ASP 90 0.980 16.793 -7.288 692 HA ASP 90 HA ASP 90 -0.118 14.117 -7.107 693 HB2 ASP 90 1HB ASP 90 1.941 15.396 -8.961 694 HB3 ASP 90 2HB ASP 90 1.582 13.681 -8.987 695 H THR 91 H THR 91 1.125 14.989 -4.745 696 HA THR 91 HA THR 91 3.759 13.669 -4.857 697 HB THR 91 HB THR 91 3.138 15.561 -2.629 698 HG1 THR 91 1HG THR 91 3.351 17.358 -4.151 699 HG21 THR 91 1HG2 THR 91 5.434 15.162 -2.677 700 HG22 THR 91 2HG2 THR 91 5.434 14.809 -4.421 701 HG23 THR 91 3HG2 THR 91 5.386 16.496 -3.855 702 H LEU 92 H LEU 92 4.354 12.295 -3.110 703 HA LEU 92 HA LEU 92 2.098 11.513 -1.413 704 HB2 LEU 92 1HB LEU 92 3.708 9.807 -3.272 705 HB3 LEU 92 2HB LEU 92 3.103 9.121 -1.777 706 HG LEU 92 HG LEU 92 1.504 10.253 -4.079 707 HD11 LEU 92 1HD1 LEU 92 2.223 7.571 -3.127 708 HD12 LEU 92 2HD1 LEU 92 0.485 7.786 -3.445 709 HD13 LEU 92 3HD1 LEU 92 1.672 8.119 -4.728 710 HD21 LEU 92 1HD2 LEU 92 0.041 10.992 -2.549 711 HD22 LEU 92 2HD2 LEU 92 -0.381 9.273 -2.364 712 HD23 LEU 92 3HD2 LEU 92 0.767 10.033 -1.237 713 H ASN 93 H ASN 93 2.629 11.227 0.717 714 HA ASN 93 HA ASN 93 5.472 11.487 1.288 715 HB2 ASN 93 1HB ASN 93 3.281 11.924 3.347 716 HB3 ASN 93 2HB ASN 93 4.887 12.625 3.301 717 HD21 ASN 93 1HD2 ASN 93 5.114 13.549 0.764 718 HD22 ASN 93 2HD2 ASN 93 3.975 14.815 0.446 719 HA PRO 94 HA PRO 94 5.051 7.437 2.969 720 HB2 PRO 94 1HB PRO 94 7.533 7.175 4.083 721 HB3 PRO 94 2HB PRO 94 7.209 6.885 2.385 722 HG2 PRO 94 1HG PRO 94 8.545 9.200 3.648 723 HG3 PRO 94 2HG PRO 94 8.587 8.688 1.973 724 HD2 PRO 94 1HD PRO 94 7.068 10.863 3.066 725 HD3 PRO 94 2HD PRO 94 7.022 10.278 1.414 726 H PHE 95 H PHE 95 4.043 6.585 4.688 727 HA PHE 95 HA PHE 95 3.360 8.184 6.787 728 HB2 PHE 95 1HB PHE 95 3.426 5.307 6.033 729 HB3 PHE 95 2HB PHE 95 3.528 5.517 7.770 730 HD1 PHE 95 2HD PHE 95 1.733 7.080 8.840 731 HD2 PHE 95 1HD PHE 95 1.346 5.312 5.002 732 HE1 PHE 95 2HE PHE 95 -0.756 7.388 8.949 733 HE2 PHE 95 1HE PHE 95 -1.143 5.620 5.110 734 HZ PHE 95 HZ PHE 95 -2.164 6.655 7.083 735 H ALA 96 H ALA 96 4.025 8.335 9.017 736 HA ALA 96 HA ALA 96 6.883 7.754 9.341 737 HB1 ALA 96 1HB ALA 96 5.135 10.023 9.965 738 HB2 ALA 96 2HB ALA 96 6.080 9.488 11.375 739 HB3 ALA 96 3HB ALA 96 6.910 9.946 9.870 740 H GLU 97 H GLU 97 7.497 6.214 10.783 741 HA GLU 97 HA GLU 97 5.728 4.513 11.915 742 HB2 GLU 97 1HB GLU 97 8.540 4.877 11.887 743 HB3 GLU 97 2HB GLU 97 8.114 4.750 13.583 744 HG2 GLU 97 1HG GLU 97 6.805 2.783 11.731 745 HG3 GLU 97 2HG GLU 97 8.526 2.581 11.988 746 H ASN 98 H ASN 98 4.706 4.271 13.951 747 HA ASN 98 HA ASN 98 5.204 6.258 15.944 748 HB2 ASN 98 1HB ASN 98 2.849 6.365 14.142 749 HB3 ASN 98 2HB ASN 98 2.392 6.321 15.833 750 HD21 ASN 98 1HD2 ASN 98 2.433 8.118 16.966 751 HD22 ASN 98 2HD2 ASN 98 3.191 9.610 16.521 752 H SER 99 H SER 99 5.027 5.173 17.923 753 HA SER 99 HA SER 99 4.492 3.697 19.421 754 HB2 SER 99 1HB SER 99 2.056 4.204 18.158 755 HB3 SER 99 2HB SER 99 2.147 2.455 18.116 756 HG SER 99 HG SER 99 2.847 3.689 20.576 757 H GLY 100 H GLY 100 5.734 1.879 19.677 758 HA2 GLY 100 1HA GLY 100 5.711 -0.101 17.477 759 HA3 GLY 100 2HA GLY 100 7.141 0.336 18.390 760 HA PRO 101 HA PRO 101 5.308 -3.226 20.510 761 HB2 PRO 101 1HB PRO 101 7.532 -4.813 20.542 762 HB3 PRO 101 2HB PRO 101 6.300 -4.916 19.301 763 HG2 PRO 101 1HG PRO 101 9.001 -3.726 19.136 764 HG3 PRO 101 2HG PRO 101 7.936 -4.217 17.833 765 HD2 PRO 101 1HD PRO 101 8.434 -1.537 18.725 766 HD3 PRO 101 2HD PRO 101 7.284 -2.038 17.502 767 H SER 102 H SER 102 5.604 -4.115 22.660 768 HA SER 102 HA SER 102 6.133 -3.886 24.751 769 HB2 SER 102 1HB SER 102 8.424 -4.443 24.089 770 HB3 SER 102 2HB SER 102 8.750 -2.778 23.648 771 HG SER 102 HG SER 102 9.026 -3.958 26.076 772 H SER 103 H SER 103 4.744 -2.412 25.693 773 HA SER 103 HA SER 103 4.610 0.241 24.947 774 HB2 SER 103 1HB SER 103 3.073 0.502 26.775 775 HB3 SER 103 2HB SER 103 2.847 -1.125 26.165 776 HG SER 103 HG SER 103 4.051 -1.966 27.916 777 H GLY 104 H GLY 104 5.970 -1.238 27.990 778 HA2 GLY 104 1HA GLY 104 7.869 1.020 28.115 779 HA3 GLY 104 2HA GLY 104 6.934 0.543 29.518 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -18.329 -7.183 0.077 2 HA2 GLY 1 1HA GLY 1 -17.456 -6.131 2.688 3 HA3 GLY 1 2HA GLY 1 -18.801 -7.250 2.596 4 H SER 2 H SER 2 -16.878 -8.235 4.106 5 HA SER 2 HA SER 2 -15.593 -10.159 2.349 6 HB2 SER 2 1HB SER 2 -13.994 -8.308 3.186 7 HB3 SER 2 2HB SER 2 -14.196 -8.990 4.787 8 HG SER 2 HG SER 2 -12.327 -9.767 3.360 9 H SER 3 H SER 3 -16.929 -11.900 2.886 10 HA SER 3 HA SER 3 -16.654 -12.835 5.587 11 HB2 SER 3 1HB SER 3 -19.058 -13.160 5.944 12 HB3 SER 3 2HB SER 3 -18.724 -11.462 5.668 13 HG SER 3 HG SER 3 -19.842 -13.370 3.806 14 H GLY 4 H GLY 4 -16.029 -14.949 5.368 15 HA2 GLY 4 1HA GLY 4 -16.019 -17.092 4.656 16 HA3 GLY 4 2HA GLY 4 -17.479 -16.782 3.737 17 H SER 5 H SER 5 -17.073 -17.501 1.675 18 HA SER 5 HA SER 5 -16.241 -17.549 -0.331 19 HB2 SER 5 1HB SER 5 -15.937 -14.962 0.224 20 HB3 SER 5 2HB SER 5 -14.231 -15.360 0.214 21 HG SER 5 HG SER 5 -14.508 -14.952 -1.901 22 H SER 6 H SER 6 -14.276 -18.289 -1.571 23 HA SER 6 HA SER 6 -11.880 -18.696 -0.144 24 HB2 SER 6 1HB SER 6 -11.969 -21.229 -0.246 25 HB3 SER 6 2HB SER 6 -13.024 -20.506 0.951 26 HG SER 6 HG SER 6 -14.500 -20.628 -1.267 27 H GLY 7 H GLY 7 -10.394 -20.278 -1.568 28 HA2 GLY 7 1HA GLY 7 -9.990 -21.172 -3.727 29 HA3 GLY 7 2HA GLY 7 -11.149 -20.047 -4.408 30 H GLU 8 H GLU 8 -8.633 -20.214 -5.564 31 HA GLU 8 HA GLU 8 -7.012 -18.958 -6.278 32 HB2 GLU 8 1HB GLU 8 -8.494 -16.809 -4.723 33 HB3 GLU 8 2HB GLU 8 -7.010 -16.449 -5.583 34 HG2 GLU 8 1HG GLU 8 -8.948 -15.963 -7.023 35 HG3 GLU 8 2HG GLU 8 -8.018 -17.282 -7.705 36 H GLU 9 H GLU 9 -7.524 -17.704 -2.894 37 HA GLU 9 HA GLU 9 -6.246 -17.699 -1.139 38 HB2 GLU 9 1HB GLU 9 -5.200 -20.105 -2.574 39 HB3 GLU 9 2HB GLU 9 -4.167 -19.460 -1.314 40 HG2 GLU 9 1HG GLU 9 -6.514 -19.391 0.038 41 HG3 GLU 9 2HG GLU 9 -6.911 -20.674 -1.088 42 H ILE 10 H ILE 10 -5.430 -15.593 -1.335 43 HA ILE 10 HA ILE 10 -2.649 -15.382 -1.786 44 HB ILE 10 HB ILE 10 -3.833 -15.452 -4.136 45 HG12 ILE 10 1HG1 ILE 10 -1.880 -13.229 -3.988 46 HG13 ILE 10 2HG1 ILE 10 -1.376 -14.722 -3.222 47 HG21 ILE 10 1HG2 ILE 10 -4.672 -13.465 -4.981 48 HG22 ILE 10 2HG2 ILE 10 -5.349 -13.502 -3.336 49 HG23 ILE 10 3HG2 ILE 10 -3.936 -12.481 -3.694 50 HD11 ILE 10 1HD1 ILE 10 -2.470 -15.679 -5.573 51 HD12 ILE 10 2HD1 ILE 10 -1.787 -14.122 -6.097 52 HD13 ILE 10 3HD1 ILE 10 -0.740 -15.339 -5.327 53 H PHE 11 H PHE 11 -1.857 -13.216 -1.216 54 HA PHE 11 HA PHE 11 -3.925 -11.571 0.048 55 HB2 PHE 11 1HB PHE 11 -1.536 -13.015 1.142 56 HB3 PHE 11 2HB PHE 11 -1.606 -11.330 1.620 57 HD1 PHE 11 1HD PHE 11 -3.483 -14.518 1.700 58 HD2 PHE 11 2HD PHE 11 -3.109 -10.602 3.292 59 HE1 PHE 11 1HE PHE 11 -5.115 -15.100 3.515 60 HE2 PHE 11 2HE PHE 11 -4.742 -11.184 5.107 61 HZ PHE 11 HZ PHE 11 -5.725 -13.426 5.197 62 H CYS 12 H CYS 12 -3.427 -9.301 0.187 63 HA CYS 12 HA CYS 12 -1.285 -8.552 -1.660 64 HB2 CYS 12 1HB CYS 12 -3.349 -7.821 -2.562 65 HB3 CYS 12 2HB CYS 12 -3.935 -7.251 -1.012 66 HG CYS 12 HG CYS 12 -2.756 -5.614 -3.214 67 H HIS 13 H HIS 13 0.508 -8.236 -0.322 68 HA HIS 13 HA HIS 13 0.170 -7.101 2.275 69 HB2 HIS 13 1HB HIS 13 2.583 -7.914 0.643 70 HB3 HIS 13 2HB HIS 13 2.719 -7.179 2.228 71 HD1 HIS 13 1HD HIS 13 2.275 -10.412 0.574 72 HD2 HIS 13 2HD HIS 13 1.397 -8.791 4.341 73 HE1 HIS 13 1HE HIS 13 1.870 -12.395 2.128 74 H VAL 14 H VAL 14 -0.201 -4.968 2.593 75 HA VAL 14 HA VAL 14 0.995 -3.117 0.651 76 HB VAL 14 HB VAL 14 -1.507 -3.006 2.329 77 HG11 VAL 14 1HG1 VAL 14 -0.358 -0.843 2.548 78 HG12 VAL 14 2HG1 VAL 14 -0.244 -0.721 0.776 79 HG13 VAL 14 3HG1 VAL 14 -1.837 -0.697 1.569 80 HG21 VAL 14 1HG2 VAL 14 -0.872 -3.101 -0.609 81 HG22 VAL 14 2HG2 VAL 14 -2.052 -4.046 0.330 82 HG23 VAL 14 3HG2 VAL 14 -2.380 -2.338 -0.050 83 H TYR 15 H TYR 15 3.000 -2.663 1.519 84 HA TYR 15 HA TYR 15 3.393 -2.406 4.319 85 HB2 TYR 15 1HB TYR 15 4.853 -1.861 1.692 86 HB3 TYR 15 2HB TYR 15 5.564 -1.246 3.171 87 HD1 TYR 15 2HD TYR 15 3.757 -4.479 2.652 88 HD2 TYR 15 1HD TYR 15 7.495 -2.554 3.442 89 HE1 TYR 15 2HE TYR 15 4.839 -6.740 3.079 90 HE2 TYR 15 1HE TYR 15 8.564 -4.822 3.866 91 HH TYR 15 HH TYR 15 7.186 -7.340 4.670 92 H ILE 16 H ILE 16 2.368 -0.782 5.423 93 HA ILE 16 HA ILE 16 1.703 1.678 4.256 94 HB ILE 16 HB ILE 16 1.989 0.949 7.173 95 HG12 ILE 16 1HG1 ILE 16 -0.622 0.907 5.704 96 HG13 ILE 16 2HG1 ILE 16 0.464 -0.456 5.520 97 HG21 ILE 16 1HG2 ILE 16 1.249 2.979 7.681 98 HG22 ILE 16 2HG2 ILE 16 1.478 3.434 5.975 99 HG23 ILE 16 3HG2 ILE 16 -0.103 2.836 6.532 100 HD11 ILE 16 1HD1 ILE 16 -1.261 -0.555 7.456 101 HD12 ILE 16 2HD1 ILE 16 0.425 -0.966 7.849 102 HD13 ILE 16 3HD1 ILE 16 -0.222 0.638 8.272 103 H THR 17 H THR 17 4.281 0.827 6.676 104 HA THR 17 HA THR 17 5.740 3.197 5.703 105 HB THR 17 HB THR 17 6.485 3.533 7.966 106 HG1 THR 17 1HG THR 17 5.989 1.727 9.510 107 HG21 THR 17 1HG2 THR 17 3.933 2.412 8.937 108 HG22 THR 17 2HG2 THR 17 4.482 4.105 8.926 109 HG23 THR 17 3HG2 THR 17 3.712 3.410 7.480 110 H GLU 18 H GLU 18 7.939 1.999 7.609 111 HA GLU 18 HA GLU 18 9.096 0.467 5.452 112 HB2 GLU 18 1HB GLU 18 10.289 2.423 6.609 113 HB3 GLU 18 2HB GLU 18 10.444 1.395 8.020 114 HG2 GLU 18 1HG GLU 18 12.318 0.507 7.107 115 HG3 GLU 18 2HG GLU 18 11.321 -0.218 5.861 116 H HIS 19 H HIS 19 7.962 0.179 8.820 117 HA HIS 19 HA HIS 19 8.529 -2.689 8.631 118 HB2 HIS 19 1HB HIS 19 8.549 -1.140 11.223 119 HB3 HIS 19 2HB HIS 19 9.091 -2.782 10.937 120 HD1 HIS 19 1HD HIS 19 11.429 -3.105 9.772 121 HD2 HIS 19 2HD HIS 19 10.402 0.882 10.572 122 HE1 HIS 19 1HE HIS 19 13.569 -1.746 9.490 123 H SER 20 H SER 20 6.158 -1.229 7.729 124 HA SER 20 HA SER 20 4.282 -2.536 9.508 125 HB2 SER 20 1HB SER 20 3.699 0.225 8.379 126 HB3 SER 20 2HB SER 20 2.797 -0.647 9.603 127 HG SER 20 HG SER 20 4.177 -0.011 11.138 128 H TYR 21 H TYR 21 2.417 -3.377 8.413 129 HA TYR 21 HA TYR 21 1.972 -2.715 5.658 130 HB2 TYR 21 1HB TYR 21 2.667 -4.871 4.790 131 HB3 TYR 21 2HB TYR 21 3.963 -4.432 5.884 132 HD1 TYR 21 2HD TYR 21 3.788 -5.342 8.330 133 HD2 TYR 21 1HD TYR 21 1.583 -6.934 5.028 134 HE1 TYR 21 2HE TYR 21 3.445 -7.519 9.599 135 HE2 TYR 21 1HE TYR 21 1.247 -9.105 6.308 136 HH TYR 21 HH TYR 21 2.778 -10.253 8.337 137 H VAL 22 H VAL 22 0.280 -4.514 4.766 138 HA VAL 22 HA VAL 22 -1.437 -5.409 6.930 139 HB VAL 22 HB VAL 22 -2.623 -3.751 4.726 140 HG11 VAL 22 1HG1 VAL 22 -3.858 -3.588 7.347 141 HG12 VAL 22 2HG1 VAL 22 -4.546 -4.131 5.798 142 HG13 VAL 22 3HG1 VAL 22 -3.669 -5.282 6.834 143 HG21 VAL 22 1HG2 VAL 22 -1.056 -2.214 5.650 144 HG22 VAL 22 2HG2 VAL 22 -2.633 -1.830 6.381 145 HG23 VAL 22 3HG2 VAL 22 -1.416 -2.735 7.313 146 H SER 23 H SER 23 -2.216 -7.410 6.465 147 HA SER 23 HA SER 23 -1.686 -8.379 3.807 148 HB2 SER 23 1HB SER 23 -1.730 -9.505 6.457 149 HB3 SER 23 2HB SER 23 -2.907 -10.374 5.492 150 HG SER 23 HG SER 23 -1.034 -10.409 3.818 151 H VAL 24 H VAL 24 -3.314 -7.652 2.413 152 HA VAL 24 HA VAL 24 -6.073 -7.953 3.317 153 HB VAL 24 HB VAL 24 -4.811 -6.530 0.967 154 HG11 VAL 24 1HG1 VAL 24 -7.356 -7.581 0.998 155 HG12 VAL 24 2HG1 VAL 24 -7.621 -5.925 1.595 156 HG13 VAL 24 3HG1 VAL 24 -6.825 -6.188 0.025 157 HG21 VAL 24 1HG2 VAL 24 -6.084 -4.608 2.366 158 HG22 VAL 24 2HG2 VAL 24 -5.675 -5.718 3.695 159 HG23 VAL 24 3HG2 VAL 24 -4.388 -5.066 2.653 160 H LYS 25 H LYS 25 -7.243 -9.707 2.741 161 HA LYS 25 HA LYS 25 -6.082 -11.520 0.813 162 HB2 LYS 25 1HB LYS 25 -6.888 -12.440 2.898 163 HB3 LYS 25 2HB LYS 25 -8.471 -11.724 2.666 164 HG2 LYS 25 1HG LYS 25 -8.827 -13.922 1.914 165 HG3 LYS 25 2HG LYS 25 -8.511 -13.079 0.411 166 HD2 LYS 25 1HD LYS 25 -6.800 -14.509 0.011 167 HD3 LYS 25 2HD LYS 25 -5.950 -13.831 1.385 168 HE2 LYS 25 1HE LYS 25 -7.093 -15.453 2.904 169 HE3 LYS 25 2HE LYS 25 -7.971 -16.120 1.541 170 HZ1 LYS 25 1HZ LYS 25 -6.245 -17.427 1.230 171 HZ2 LYS 25 2HZ LYS 25 -5.329 -16.138 0.823 172 HZ3 LYS 25 3HZ LYS 25 -5.352 -16.669 2.367 173 H ALA 26 H ALA 26 -6.314 -10.758 -1.263 174 HA ALA 26 HA ALA 26 -9.065 -10.074 -2.048 175 HB1 ALA 26 1HB ALA 26 -6.538 -8.694 -2.384 176 HB2 ALA 26 2HB ALA 26 -7.227 -9.106 -3.973 177 HB3 ALA 26 3HB ALA 26 -8.180 -8.154 -2.810 178 H LYS 27 H LYS 27 -9.102 -10.364 -4.688 179 HA LYS 27 HA LYS 27 -8.793 -13.187 -5.009 180 HB2 LYS 27 1HB LYS 27 -9.654 -11.136 -7.065 181 HB3 LYS 27 2HB LYS 27 -9.947 -12.863 -7.098 182 HG2 LYS 27 1HG LYS 27 -10.951 -11.090 -4.830 183 HG3 LYS 27 2HG LYS 27 -11.892 -11.371 -6.281 184 HD2 LYS 27 1HD LYS 27 -11.665 -13.881 -5.841 185 HD3 LYS 27 2HD LYS 27 -10.924 -13.485 -4.302 186 HE2 LYS 27 1HE LYS 27 -13.487 -12.059 -4.815 187 HE3 LYS 27 2HE LYS 27 -13.648 -13.801 -4.714 188 HZ1 LYS 27 1HZ LYS 27 -13.769 -12.536 -2.580 189 HZ2 LYS 27 2HZ LYS 27 -12.734 -13.799 -2.586 190 HZ3 LYS 27 3HZ LYS 27 -12.162 -12.274 -2.704 191 H VAL 28 H VAL 28 -7.893 -13.857 -7.370 192 HA VAL 28 HA VAL 28 -5.114 -13.144 -7.236 193 HB VAL 28 HB VAL 28 -5.854 -15.447 -7.547 194 HG11 VAL 28 1HG1 VAL 28 -6.630 -15.885 -10.073 195 HG12 VAL 28 2HG1 VAL 28 -7.786 -15.574 -8.756 196 HG13 VAL 28 3HG1 VAL 28 -7.318 -14.257 -9.859 197 HG21 VAL 28 1HG2 VAL 28 -3.856 -14.100 -9.002 198 HG22 VAL 28 2HG2 VAL 28 -3.948 -15.840 -8.641 199 HG23 VAL 28 3HG2 VAL 28 -4.627 -15.210 -10.160 200 H SER 29 H SER 29 -7.906 -11.846 -8.702 201 HA SER 29 HA SER 29 -6.186 -10.437 -10.577 202 HB2 SER 29 1HB SER 29 -7.495 -12.126 -11.839 203 HB3 SER 29 2HB SER 29 -8.986 -11.499 -11.165 204 HG SER 29 HG SER 29 -8.972 -9.860 -12.561 205 H SER 30 H SER 30 -7.120 -9.780 -7.844 206 HA SER 30 HA SER 30 -9.284 -7.961 -8.193 207 HB2 SER 30 1HB SER 30 -7.664 -9.034 -5.948 208 HB3 SER 30 2HB SER 30 -8.167 -7.370 -5.726 209 HG SER 30 HG SER 30 -10.396 -8.255 -6.421 210 H ILE 31 H ILE 31 -9.150 -5.624 -8.000 211 HA ILE 31 HA ILE 31 -6.680 -4.594 -9.062 212 HB ILE 31 HB ILE 31 -8.017 -2.445 -9.063 213 HG12 ILE 31 1HG1 ILE 31 -10.397 -4.228 -8.532 214 HG13 ILE 31 2HG1 ILE 31 -9.606 -3.338 -7.246 215 HG21 ILE 31 1HG2 ILE 31 -8.661 -2.934 -11.158 216 HG22 ILE 31 2HG2 ILE 31 -7.852 -4.489 -10.852 217 HG23 ILE 31 3HG2 ILE 31 -9.615 -4.349 -10.651 218 HD11 ILE 31 1HD1 ILE 31 -11.119 -1.712 -7.861 219 HD12 ILE 31 2HD1 ILE 31 -9.859 -1.323 -9.056 220 HD13 ILE 31 3HD1 ILE 31 -11.254 -2.323 -9.527 221 H ALA 32 H ALA 32 -5.763 -2.504 -8.094 222 HA ALA 32 HA ALA 32 -4.931 -3.050 -5.481 223 HB1 ALA 32 1HB ALA 32 -3.881 -1.638 -7.431 224 HB2 ALA 32 2HB ALA 32 -4.821 -0.302 -6.725 225 HB3 ALA 32 3HB ALA 32 -3.600 -1.146 -5.744 226 H GLN 33 H GLN 33 -7.444 -0.856 -6.850 227 HA GLN 33 HA GLN 33 -8.036 0.581 -4.645 228 HB2 GLN 33 1HB GLN 33 -9.102 1.052 -6.760 229 HB3 GLN 33 2HB GLN 33 -9.851 -0.531 -6.819 230 HG2 GLN 33 1HG GLN 33 -11.676 0.512 -5.926 231 HG3 GLN 33 2HG GLN 33 -10.814 0.396 -4.405 232 HE21 GLN 33 1HE2 GLN 33 -9.244 2.170 -3.942 233 HE22 GLN 33 2HE2 GLN 33 -9.702 3.794 -4.335 234 H GLU 34 H GLU 34 -9.115 -2.758 -5.479 235 HA GLU 34 HA GLU 34 -10.944 -3.051 -3.454 236 HB2 GLU 34 1HB GLU 34 -9.204 -4.978 -5.008 237 HB3 GLU 34 2HB GLU 34 -10.202 -5.580 -3.700 238 HG2 GLU 34 1HG GLU 34 -12.156 -4.268 -4.852 239 HG3 GLU 34 2HG GLU 34 -11.098 -4.182 -6.247 240 H ILE 35 H ILE 35 -7.440 -2.901 -3.365 241 HA ILE 35 HA ILE 35 -7.366 -4.098 -0.712 242 HB ILE 35 HB ILE 35 -5.040 -3.012 -2.279 243 HG12 ILE 35 1HG1 ILE 35 -6.129 -4.477 -3.828 244 HG13 ILE 35 2HG1 ILE 35 -4.730 -5.309 -3.180 245 HG21 ILE 35 1HG2 ILE 35 -4.663 -5.426 -0.693 246 HG22 ILE 35 2HG2 ILE 35 -3.769 -3.887 -0.675 247 HG23 ILE 35 3HG2 ILE 35 -5.261 -4.061 0.281 248 HD11 ILE 35 1HD1 ILE 35 -6.936 -6.653 -3.314 249 HD12 ILE 35 2HD1 ILE 35 -6.059 -6.705 -1.766 250 HD13 ILE 35 3HD1 ILE 35 -7.487 -5.658 -1.944 251 H LEU 36 H LEU 36 -6.538 -1.007 -2.418 252 HA LEU 36 HA LEU 36 -5.728 0.426 -0.230 253 HB2 LEU 36 1HB LEU 36 -5.604 1.080 -2.626 254 HB3 LEU 36 2HB LEU 36 -7.317 1.447 -2.587 255 HG LEU 36 HG LEU 36 -6.745 3.082 -0.675 256 HD11 LEU 36 1HD1 LEU 36 -4.233 1.954 -0.908 257 HD12 LEU 36 2HD1 LEU 36 -4.063 3.514 -1.748 258 HD13 LEU 36 3HD1 LEU 36 -4.636 3.468 -0.064 259 HD21 LEU 36 1HD2 LEU 36 -7.448 4.159 -2.560 260 HD22 LEU 36 2HD2 LEU 36 -5.764 4.732 -2.501 261 HD23 LEU 36 3HD2 LEU 36 -6.214 3.402 -3.596 262 H LYS 37 H LYS 37 -9.069 -0.204 -1.435 263 HA LYS 37 HA LYS 37 -10.366 1.473 0.370 264 HB2 LYS 37 1HB LYS 37 -12.363 0.170 -0.190 265 HB3 LYS 37 2HB LYS 37 -11.441 0.588 -1.620 266 HG2 LYS 37 1HG LYS 37 -11.292 -1.604 -2.167 267 HG3 LYS 37 2HG LYS 37 -10.396 -1.912 -0.692 268 HD2 LYS 37 1HD LYS 37 -12.570 -2.146 0.555 269 HD3 LYS 37 2HD LYS 37 -13.442 -1.892 -0.944 270 HE2 LYS 37 1HE LYS 37 -11.852 -3.902 -1.790 271 HE3 LYS 37 2HE LYS 37 -11.804 -4.272 -0.078 272 HZ1 LYS 37 1HZ LYS 37 -13.627 -5.377 -1.116 273 HZ2 LYS 37 2HZ LYS 37 -14.224 -4.255 -0.090 274 HZ3 LYS 37 3HZ LYS 37 -14.236 -3.979 -1.700 275 H VAL 38 H VAL 38 -8.926 -1.753 0.709 276 HA VAL 38 HA VAL 38 -10.239 -2.251 3.212 277 HB VAL 38 HB VAL 38 -7.871 -3.646 1.956 278 HG11 VAL 38 1HG1 VAL 38 -8.015 -4.451 4.133 279 HG12 VAL 38 2HG1 VAL 38 -9.789 -4.311 4.181 280 HG13 VAL 38 3HG1 VAL 38 -9.023 -5.610 3.234 281 HG21 VAL 38 1HG2 VAL 38 -10.636 -4.731 1.662 282 HG22 VAL 38 2HG2 VAL 38 -10.176 -3.358 0.628 283 HG23 VAL 38 3HG2 VAL 38 -9.229 -4.864 0.580 284 H VAL 39 H VAL 39 -6.753 -1.827 2.250 285 HA VAL 39 HA VAL 39 -5.688 -1.567 4.721 286 HB VAL 39 HB VAL 39 -4.993 -0.028 2.212 287 HG11 VAL 39 1HG1 VAL 39 -2.719 -0.665 3.845 288 HG12 VAL 39 2HG1 VAL 39 -3.316 0.929 3.324 289 HG13 VAL 39 3HG1 VAL 39 -3.919 0.202 4.833 290 HG21 VAL 39 1HG2 VAL 39 -3.380 -2.372 2.994 291 HG22 VAL 39 2HG2 VAL 39 -5.055 -2.747 2.525 292 HG23 VAL 39 3HG2 VAL 39 -3.989 -1.875 1.397 293 H ALA 40 H ALA 40 -7.062 1.123 2.702 294 HA ALA 40 HA ALA 40 -6.649 3.236 4.291 295 HB1 ALA 40 1HB ALA 40 -9.021 3.950 3.484 296 HB2 ALA 40 2HB ALA 40 -7.779 3.595 2.260 297 HB3 ALA 40 3HB ALA 40 -9.032 2.387 2.633 298 H GLU 41 H GLU 41 -9.141 0.669 4.768 299 HA GLU 41 HA GLU 41 -10.233 1.956 7.024 300 HB2 GLU 41 1HB GLU 41 -10.462 -1.003 6.361 301 HB3 GLU 41 2HB GLU 41 -11.605 -0.013 7.246 302 HG2 GLU 41 1HG GLU 41 -11.121 1.188 4.641 303 HG3 GLU 41 2HG GLU 41 -11.529 -0.503 4.427 304 H LYS 42 H LYS 42 -7.869 -0.723 6.491 305 HA LYS 42 HA LYS 42 -7.576 -1.517 9.115 306 HB2 LYS 42 1HB LYS 42 -6.204 -1.870 6.586 307 HB3 LYS 42 2HB LYS 42 -5.046 -1.727 7.893 308 HG2 LYS 42 1HG LYS 42 -5.751 -4.089 7.567 309 HG3 LYS 42 2HG LYS 42 -6.184 -3.510 9.163 310 HD2 LYS 42 1HD LYS 42 -8.254 -4.349 8.646 311 HD3 LYS 42 2HD LYS 42 -8.458 -2.829 7.798 312 HE2 LYS 42 1HE LYS 42 -8.818 -4.062 5.920 313 HE3 LYS 42 2HE LYS 42 -7.098 -4.399 5.921 314 HZ1 LYS 42 1HZ LYS 42 -8.616 -6.360 5.916 315 HZ2 LYS 42 2HZ LYS 42 -7.456 -6.386 7.065 316 HZ3 LYS 42 3HZ LYS 42 -8.994 -6.013 7.467 317 H ILE 43 H ILE 43 -6.583 1.442 7.498 318 HA ILE 43 HA ILE 43 -4.972 2.135 9.850 319 HB ILE 43 HB ILE 43 -3.679 3.501 8.542 320 HG12 ILE 43 1HG1 ILE 43 -5.773 3.514 6.350 321 HG13 ILE 43 2HG1 ILE 43 -5.625 4.755 7.579 322 HG21 ILE 43 1HG2 ILE 43 -4.388 1.548 6.371 323 HG22 ILE 43 2HG2 ILE 43 -2.794 2.152 6.884 324 HG23 ILE 43 3HG2 ILE 43 -3.671 0.981 7.899 325 HD11 ILE 43 1HD1 ILE 43 -3.771 4.110 5.294 326 HD12 ILE 43 2HD1 ILE 43 -4.321 5.693 5.892 327 HD13 ILE 43 3HD1 ILE 43 -3.070 4.792 6.781 328 H GLN 44 H GLN 44 -7.969 2.631 8.178 329 HA GLN 44 HA GLN 44 -9.719 3.806 8.742 330 HB2 GLN 44 1HB GLN 44 -8.137 5.140 10.976 331 HB3 GLN 44 2HB GLN 44 -9.880 5.032 10.837 332 HG2 GLN 44 1HG GLN 44 -9.565 2.452 10.862 333 HG3 GLN 44 2HG GLN 44 -7.916 2.764 11.367 334 HE21 GLN 44 1HE2 GLN 44 -7.653 2.541 13.441 335 HE22 GLN 44 2HE2 GLN 44 -8.748 3.002 14.702 336 H TYR 45 H TYR 45 -8.549 4.659 6.564 337 HA TYR 45 HA TYR 45 -8.493 7.578 6.860 338 HB2 TYR 45 1HB TYR 45 -6.419 5.655 6.039 339 HB3 TYR 45 2HB TYR 45 -6.825 6.672 4.671 340 HD1 TYR 45 2HD TYR 45 -5.606 6.727 8.181 341 HD2 TYR 45 1HD TYR 45 -6.085 8.937 4.550 342 HE1 TYR 45 2HE TYR 45 -4.105 8.565 9.094 343 HE2 TYR 45 1HE TYR 45 -4.583 10.769 5.475 344 HH TYR 45 HH TYR 45 -2.824 10.326 8.448 345 H ALA 46 H ALA 46 -8.035 8.079 4.067 346 HA ALA 46 HA ALA 46 -10.551 7.014 2.980 347 HB1 ALA 46 1HB ALA 46 -10.072 9.589 3.560 348 HB2 ALA 46 2HB ALA 46 -9.314 9.541 1.950 349 HB3 ALA 46 3HB ALA 46 -11.029 9.104 2.139 350 H GLU 47 H GLU 47 -9.951 5.283 1.725 351 HA GLU 47 HA GLU 47 -7.604 4.776 0.598 352 HB2 GLU 47 1HB GLU 47 -8.948 3.549 -1.223 353 HB3 GLU 47 2HB GLU 47 -9.307 3.125 0.439 354 HG2 GLU 47 1HG GLU 47 -11.275 4.631 0.435 355 HG3 GLU 47 2HG GLU 47 -10.891 5.170 -1.188 356 H GLU 48 H GLU 48 -10.164 6.932 -0.741 357 HA GLU 48 HA GLU 48 -9.010 7.343 -3.203 358 HB2 GLU 48 1HB GLU 48 -10.406 9.384 -3.293 359 HB3 GLU 48 2HB GLU 48 -11.308 8.031 -2.639 360 HG2 GLU 48 1HG GLU 48 -10.408 8.981 -0.299 361 HG3 GLU 48 2HG GLU 48 -10.239 10.468 -1.209 362 H ASP 49 H ASP 49 -8.452 8.947 -0.029 363 HA ASP 49 HA ASP 49 -6.744 10.897 -1.140 364 HB2 ASP 49 1HB ASP 49 -7.059 9.899 1.730 365 HB3 ASP 49 2HB ASP 49 -6.159 11.332 1.276 366 H LEU 50 H LEU 50 -6.467 7.553 -0.642 367 HA LEU 50 HA LEU 50 -3.585 7.721 -0.118 368 HB2 LEU 50 1HB LEU 50 -5.545 5.457 0.271 369 HB3 LEU 50 2HB LEU 50 -3.810 5.308 0.465 370 HG LEU 50 HG LEU 50 -5.630 7.097 2.101 371 HD11 LEU 50 1HD1 LEU 50 -4.349 4.421 2.662 372 HD12 LEU 50 2HD1 LEU 50 -4.901 5.511 3.956 373 HD13 LEU 50 3HD1 LEU 50 -6.065 4.882 2.766 374 HD21 LEU 50 1HD2 LEU 50 -3.705 8.282 2.288 375 HD22 LEU 50 2HD2 LEU 50 -3.368 7.048 3.525 376 HD23 LEU 50 3HD2 LEU 50 -2.669 6.888 1.896 377 H ALA 51 H ALA 51 -2.460 5.641 -1.233 378 HA ALA 51 HA ALA 51 -3.542 4.940 -3.768 379 HB1 ALA 51 1HB ALA 51 -1.589 7.204 -3.525 380 HB2 ALA 51 2HB ALA 51 -1.382 6.059 -4.873 381 HB3 ALA 51 3HB ALA 51 -2.909 6.958 -4.693 382 H LEU 52 H LEU 52 -2.331 3.222 -4.733 383 HA LEU 52 HA LEU 52 -0.621 1.899 -2.827 384 HB2 LEU 52 1HB LEU 52 -1.767 1.105 -5.503 385 HB3 LEU 52 2HB LEU 52 -0.680 0.086 -4.579 386 HG LEU 52 HG LEU 52 -2.604 -0.799 -3.815 387 HD11 LEU 52 1HD1 LEU 52 -1.567 0.303 -1.853 388 HD12 LEU 52 2HD1 LEU 52 -2.652 1.693 -2.093 389 HD13 LEU 52 3HD1 LEU 52 -3.327 0.095 -1.695 390 HD21 LEU 52 1HD2 LEU 52 -3.847 0.844 -5.415 391 HD22 LEU 52 2HD2 LEU 52 -4.738 0.035 -4.103 392 HD23 LEU 52 3HD2 LEU 52 -4.222 1.728 -3.916 393 H VAL 53 H VAL 53 1.512 2.323 -2.712 394 HA VAL 53 HA VAL 53 2.805 3.323 -5.140 395 HB VAL 53 HB VAL 53 3.294 3.590 -2.196 396 HG11 VAL 53 1HG1 VAL 53 5.503 4.740 -2.909 397 HG12 VAL 53 2HG1 VAL 53 5.468 2.964 -2.792 398 HG13 VAL 53 3HG1 VAL 53 5.365 3.754 -4.384 399 HG21 VAL 53 1HG2 VAL 53 3.849 5.988 -3.452 400 HG22 VAL 53 2HG2 VAL 53 2.543 5.310 -4.452 401 HG23 VAL 53 3HG2 VAL 53 2.298 5.537 -2.704 402 H ALA 54 H ALA 54 3.980 1.922 -6.331 403 HA ALA 54 HA ALA 54 4.907 -0.510 -4.973 404 HB1 ALA 54 1HB ALA 54 3.309 -0.290 -7.163 405 HB2 ALA 54 2HB ALA 54 4.908 -0.320 -7.945 406 HB3 ALA 54 3HB ALA 54 4.411 -1.660 -6.883 407 H ILE 55 H ILE 55 6.983 -0.278 -4.287 408 HA ILE 55 HA ILE 55 8.756 1.424 -5.837 409 HB ILE 55 HB ILE 55 9.290 -0.002 -3.234 410 HG12 ILE 55 1HG1 ILE 55 7.788 2.523 -3.805 411 HG13 ILE 55 2HG1 ILE 55 7.477 1.280 -2.610 412 HG21 ILE 55 1HG2 ILE 55 10.592 2.435 -4.479 413 HG22 ILE 55 2HG2 ILE 55 11.036 1.653 -2.943 414 HG23 ILE 55 3HG2 ILE 55 11.267 0.788 -4.481 415 HD11 ILE 55 1HD1 ILE 55 9.791 3.271 -2.528 416 HD12 ILE 55 2HD1 ILE 55 8.320 3.338 -1.529 417 HD13 ILE 55 3HD1 ILE 55 9.480 2.006 -1.315 418 H THR 56 H THR 56 10.947 0.636 -6.429 419 HA THR 56 HA THR 56 10.882 -2.250 -7.023 420 HB THR 56 HB THR 56 10.518 -0.987 -9.080 421 HG1 THR 56 1HG THR 56 13.392 -1.452 -8.799 422 HG21 THR 56 1HG2 THR 56 12.985 0.606 -8.206 423 HG22 THR 56 2HG2 THR 56 12.268 0.678 -9.833 424 HG23 THR 56 3HG2 THR 56 11.342 1.252 -8.426 425 H PHE 57 H PHE 57 13.257 -2.989 -7.644 426 HA PHE 57 HA PHE 57 14.717 -2.707 -5.253 427 HB2 PHE 57 1HB PHE 57 14.533 -4.578 -7.170 428 HB3 PHE 57 2HB PHE 57 15.800 -3.654 -7.951 429 HD1 PHE 57 1HD PHE 57 15.077 -4.994 -4.532 430 HD2 PHE 57 2HD PHE 57 17.943 -4.404 -7.606 431 HE1 PHE 57 1HE PHE 57 16.799 -6.195 -3.157 432 HE2 PHE 57 2HE PHE 57 19.665 -5.604 -6.230 433 HZ PHE 57 HZ PHE 57 19.073 -6.485 -4.022 434 H SER 58 H SER 58 14.557 -0.129 -5.688 435 HA SER 58 HA SER 58 17.189 0.667 -6.024 436 HB2 SER 58 1HB SER 58 16.768 0.339 -8.433 437 HB3 SER 58 2HB SER 58 15.341 1.352 -8.352 438 HG SER 58 HG SER 58 17.144 2.558 -9.154 439 H GLY 59 H GLY 59 14.965 0.894 -4.157 440 HA2 GLY 59 1HA GLY 59 13.669 2.406 -3.060 441 HA3 GLY 59 2HA GLY 59 15.146 3.348 -3.133 442 H GLU 60 H GLU 60 12.674 2.399 -5.631 443 HA GLU 60 HA GLU 60 12.346 5.257 -6.118 444 HB2 GLU 60 1HB GLU 60 12.906 3.011 -8.023 445 HB3 GLU 60 2HB GLU 60 11.762 4.225 -8.562 446 HG2 GLU 60 1HG GLU 60 13.623 5.926 -7.663 447 HG3 GLU 60 2HG GLU 60 14.687 4.549 -7.872 448 H LYS 61 H LYS 61 10.316 5.849 -5.495 449 HA LYS 61 HA LYS 61 8.275 3.911 -5.152 450 HB2 LYS 61 1HB LYS 61 8.418 6.916 -4.913 451 HB3 LYS 61 2HB LYS 61 6.896 6.063 -4.751 452 HG2 LYS 61 1HG LYS 61 7.679 4.800 -2.854 453 HG3 LYS 61 2HG LYS 61 9.351 5.230 -3.155 454 HD2 LYS 61 1HD LYS 61 7.690 7.630 -2.836 455 HD3 LYS 61 2HD LYS 61 7.538 6.572 -1.447 456 HE2 LYS 61 1HE LYS 61 9.476 7.538 -0.722 457 HE3 LYS 61 2HE LYS 61 10.272 6.492 -1.881 458 HZ1 LYS 61 1HZ LYS 61 10.492 9.099 -1.930 459 HZ2 LYS 61 2HZ LYS 61 10.599 8.192 -3.284 460 HZ3 LYS 61 3HZ LYS 61 9.202 8.957 -2.922 461 H HIS 62 H HIS 62 6.468 3.447 -6.410 462 HA HIS 62 HA HIS 62 6.232 4.925 -8.908 463 HB2 HIS 62 1HB HIS 62 7.436 2.407 -8.767 464 HB3 HIS 62 2HB HIS 62 5.799 2.067 -9.291 465 HD1 HIS 62 1HD HIS 62 8.635 4.467 -10.267 466 HD2 HIS 62 2HD HIS 62 5.465 2.325 -11.988 467 HE1 HIS 62 1HE HIS 62 8.799 4.846 -12.784 468 H GLU 63 H GLU 63 4.183 5.680 -9.015 469 HA GLU 63 HA GLU 63 2.201 4.324 -7.417 470 HB2 GLU 63 1HB GLU 63 2.741 7.025 -7.990 471 HB3 GLU 63 2HB GLU 63 1.285 6.688 -8.904 472 HG2 GLU 63 1HG GLU 63 0.833 5.425 -6.421 473 HG3 GLU 63 2HG GLU 63 1.646 6.918 -5.992 474 H LEU 64 H LEU 64 0.056 3.766 -8.316 475 HA LEU 64 HA LEU 64 0.083 3.444 -11.226 476 HB2 LEU 64 1HB LEU 64 -1.122 1.231 -9.711 477 HB3 LEU 64 2HB LEU 64 -0.191 1.220 -11.195 478 HG LEU 64 HG LEU 64 1.829 1.759 -9.577 479 HD11 LEU 64 1HD1 LEU 64 -0.240 1.513 -7.706 480 HD12 LEU 64 2HD1 LEU 64 0.698 0.006 -7.572 481 HD13 LEU 64 3HD1 LEU 64 1.510 1.579 -7.387 482 HD21 LEU 64 1HD2 LEU 64 1.739 -0.923 -9.130 483 HD22 LEU 64 2HD2 LEU 64 0.570 -0.758 -10.462 484 HD23 LEU 64 3HD2 LEU 64 2.237 -0.165 -10.662 485 H GLN 65 H GLN 65 -2.467 2.027 -11.223 486 HA GLN 65 HA GLN 65 -4.115 4.283 -10.407 487 HB2 GLN 65 1HB GLN 65 -4.228 2.337 -12.698 488 HB3 GLN 65 2HB GLN 65 -5.749 2.961 -12.091 489 HG2 GLN 65 1HG GLN 65 -3.935 5.187 -12.284 490 HG3 GLN 65 2HG GLN 65 -3.805 4.283 -13.780 491 HE21 GLN 65 1HE2 GLN 65 -4.733 6.528 -14.331 492 HE22 GLN 65 2HE2 GLN 65 -6.455 6.630 -14.493 493 HA PRO 66 HA PRO 66 -6.385 1.719 -7.741 494 HB2 PRO 66 1HB PRO 66 -8.949 2.641 -7.947 495 HB3 PRO 66 2HB PRO 66 -7.711 3.453 -7.009 496 HG2 PRO 66 1HG PRO 66 -8.835 4.203 -9.639 497 HG3 PRO 66 2HG PRO 66 -7.935 5.193 -8.507 498 HD2 PRO 66 1HD PRO 66 -6.943 4.025 -10.932 499 HD3 PRO 66 2HD PRO 66 -6.016 4.917 -9.742 500 H ASN 67 H ASN 67 -6.711 1.402 -10.984 501 HA ASN 67 HA ASN 67 -8.527 -0.843 -10.603 502 HB2 ASN 67 1HB ASN 67 -8.390 -0.571 -13.325 503 HB3 ASN 67 2HB ASN 67 -9.574 0.270 -12.343 504 HD21 ASN 67 1HD2 ASN 67 -9.566 2.416 -12.223 505 HD22 ASN 67 2HD2 ASN 67 -8.395 3.472 -12.938 506 H ASP 68 H ASP 68 -5.299 -0.087 -10.685 507 HA ASP 68 HA ASP 68 -4.401 -1.951 -12.620 508 HB2 ASP 68 1HB ASP 68 -3.293 0.168 -11.108 509 HB3 ASP 68 2HB ASP 68 -2.466 -1.258 -10.515 510 H LEU 69 H LEU 69 -3.996 -4.156 -12.262 511 HA LEU 69 HA LEU 69 -4.938 -5.447 -10.026 512 HB2 LEU 69 1HB LEU 69 -3.831 -6.118 -12.491 513 HB3 LEU 69 2HB LEU 69 -2.751 -6.856 -11.325 514 HG LEU 69 HG LEU 69 -4.590 -8.084 -10.315 515 HD11 LEU 69 1HD1 LEU 69 -6.844 -8.024 -11.553 516 HD12 LEU 69 2HD1 LEU 69 -6.460 -6.694 -10.435 517 HD13 LEU 69 3HD1 LEU 69 -6.295 -6.456 -12.192 518 HD21 LEU 69 1HD2 LEU 69 -5.358 -8.990 -12.874 519 HD22 LEU 69 2HD2 LEU 69 -3.683 -8.406 -13.025 520 HD23 LEU 69 3HD2 LEU 69 -4.088 -9.642 -11.810 521 H VAL 70 H VAL 70 -3.902 -6.472 -8.210 522 HA VAL 70 HA VAL 70 -1.409 -5.103 -7.474 523 HB VAL 70 HB VAL 70 -2.542 -6.108 -5.161 524 HG11 VAL 70 1HG1 VAL 70 -3.170 -3.665 -4.775 525 HG12 VAL 70 2HG1 VAL 70 -1.472 -3.993 -5.197 526 HG13 VAL 70 3HG1 VAL 70 -2.589 -3.359 -6.429 527 HG21 VAL 70 1HG2 VAL 70 -4.876 -5.220 -5.194 528 HG22 VAL 70 2HG2 VAL 70 -4.735 -5.023 -6.957 529 HG23 VAL 70 3HG2 VAL 70 -4.639 -6.646 -6.233 530 H ILE 71 H ILE 71 -2.441 -7.894 -8.823 531 HA ILE 71 HA ILE 71 -0.612 -9.529 -7.206 532 HB ILE 71 HB ILE 71 -2.938 -10.399 -8.926 533 HG12 ILE 71 1HG1 ILE 71 -3.434 -11.183 -6.319 534 HG13 ILE 71 2HG1 ILE 71 -2.741 -9.587 -6.113 535 HG21 ILE 71 1HG2 ILE 71 -2.490 -12.611 -8.320 536 HG22 ILE 71 2HG2 ILE 71 -0.891 -11.938 -8.718 537 HG23 ILE 71 3HG2 ILE 71 -1.376 -12.131 -7.017 538 HD11 ILE 71 1HD1 ILE 71 -4.363 -8.681 -7.804 539 HD12 ILE 71 2HD1 ILE 71 -5.095 -10.300 -7.923 540 HD13 ILE 71 3HD1 ILE 71 -5.173 -9.398 -6.390 541 H SER 72 H SER 72 -1.901 -9.235 -10.597 542 HA SER 72 HA SER 72 -0.942 -9.549 -12.525 543 HB2 SER 72 1HB SER 72 1.010 -8.250 -12.999 544 HB3 SER 72 2HB SER 72 0.178 -7.405 -11.709 545 HG SER 72 HG SER 72 2.577 -8.982 -11.578 546 H LYS 73 H LYS 73 1.749 -10.148 -13.351 547 HA LYS 73 HA LYS 73 1.828 -12.919 -12.574 548 HB2 LYS 73 1HB LYS 73 2.762 -11.269 -14.805 549 HB3 LYS 73 2HB LYS 73 3.964 -12.432 -14.284 550 HG2 LYS 73 1HG LYS 73 1.801 -14.064 -14.240 551 HG3 LYS 73 2HG LYS 73 1.223 -12.912 -15.427 552 HD2 LYS 73 1HD LYS 73 2.789 -13.536 -17.011 553 HD3 LYS 73 2HD LYS 73 4.039 -13.835 -15.820 554 HE2 LYS 73 1HE LYS 73 2.133 -15.807 -15.234 555 HE3 LYS 73 2HE LYS 73 2.070 -15.710 -16.983 556 HZ1 LYS 73 1HZ LYS 73 3.921 -17.038 -15.571 557 HZ2 LYS 73 2HZ LYS 73 4.077 -16.600 -17.137 558 HZ3 LYS 73 3HZ LYS 73 4.725 -15.671 -15.961 559 H SER 74 H SER 74 4.502 -13.588 -12.631 560 HA SER 74 HA SER 74 5.572 -12.001 -10.430 561 HB2 SER 74 1HB SER 74 4.957 -14.875 -10.574 562 HB3 SER 74 2HB SER 74 6.626 -14.588 -10.123 563 HG SER 74 HG SER 74 4.232 -13.684 -8.794 564 H LEU 75 H LEU 75 6.538 -10.958 -12.527 565 HA LEU 75 HA LEU 75 8.967 -12.457 -13.228 566 HB2 LEU 75 1HB LEU 75 7.006 -10.983 -14.906 567 HB3 LEU 75 2HB LEU 75 8.700 -10.818 -15.325 568 HG LEU 75 HG LEU 75 7.184 -12.694 -16.391 569 HD11 LEU 75 1HD1 LEU 75 9.974 -13.431 -15.493 570 HD12 LEU 75 2HD1 LEU 75 9.130 -13.899 -16.989 571 HD13 LEU 75 3HD1 LEU 75 9.643 -12.211 -16.747 572 HD21 LEU 75 1HD2 LEU 75 8.251 -14.200 -13.996 573 HD22 LEU 75 2HD2 LEU 75 6.579 -13.602 -14.113 574 HD23 LEU 75 3HD2 LEU 75 7.182 -14.794 -15.290 575 H GLU 76 H GLU 76 8.535 -10.721 -10.905 576 HA GLU 76 HA GLU 76 10.572 -8.782 -11.594 577 HB2 GLU 76 1HB GLU 76 7.804 -8.154 -10.806 578 HB3 GLU 76 2HB GLU 76 8.979 -7.405 -9.742 579 HG2 GLU 76 1HG GLU 76 9.437 -7.254 -12.726 580 HG3 GLU 76 2HG GLU 76 8.218 -6.215 -12.016 581 H ALA 77 H ALA 77 11.687 -7.907 -9.585 582 HA ALA 77 HA ALA 77 12.452 -9.989 -7.927 583 HB1 ALA 77 1HB ALA 77 13.968 -8.216 -8.161 584 HB2 ALA 77 2HB ALA 77 12.722 -6.980 -7.865 585 HB3 ALA 77 3HB ALA 77 13.334 -7.968 -6.517 586 H SER 78 H SER 78 12.376 -9.508 -5.329 587 HA SER 78 HA SER 78 10.053 -10.376 -4.432 588 HB2 SER 78 1HB SER 78 10.628 -9.154 -2.234 589 HB3 SER 78 2HB SER 78 11.845 -10.234 -2.885 590 HG SER 78 HG SER 78 12.083 -7.599 -2.330 591 H GLY 79 H GLY 79 10.947 -6.860 -4.684 592 HA2 GLY 79 1HA GLY 79 9.687 -5.005 -4.809 593 HA3 GLY 79 2HA GLY 79 8.468 -5.993 -5.589 594 H ARG 80 H ARG 80 7.395 -4.036 -4.137 595 HA ARG 80 HA ARG 80 5.923 -5.400 -2.234 596 HB2 ARG 80 1HB ARG 80 8.369 -4.134 -1.232 597 HB3 ARG 80 2HB ARG 80 6.962 -3.391 -0.498 598 HG2 ARG 80 1HG ARG 80 6.329 -5.331 0.610 599 HG3 ARG 80 2HG ARG 80 6.927 -6.384 -0.657 600 HD2 ARG 80 1HD ARG 80 8.264 -6.477 1.507 601 HD3 ARG 80 2HD ARG 80 9.222 -6.134 0.080 602 HE ARG 80 HE ARG 80 8.245 -3.715 1.411 603 HH11 ARG 80 2HH2 ARG 80 10.811 -6.121 1.334 604 HH12 ARG 80 1HH2 ARG 80 11.979 -5.085 2.084 605 HH21 ARG 80 2HH1 ARG 80 9.786 -2.347 2.399 606 HH22 ARG 80 1HH1 ARG 80 11.392 -2.924 2.694 607 H ILE 81 H ILE 81 3.990 -4.239 -1.855 608 HA ILE 81 HA ILE 81 3.854 -1.659 -3.203 609 HB ILE 81 HB ILE 81 1.817 -3.707 -2.365 610 HG12 ILE 81 1HG1 ILE 81 1.267 -3.463 -4.860 611 HG13 ILE 81 2HG1 ILE 81 2.784 -2.597 -5.004 612 HG21 ILE 81 1HG2 ILE 81 0.328 -1.870 -3.685 613 HG22 ILE 81 2HG2 ILE 81 0.446 -1.981 -1.912 614 HG23 ILE 81 3HG2 ILE 81 1.447 -0.807 -2.800 615 HD11 ILE 81 1HD1 ILE 81 2.534 -5.331 -5.191 616 HD12 ILE 81 2HD1 ILE 81 4.043 -4.493 -4.755 617 HD13 ILE 81 3HD1 ILE 81 2.985 -5.142 -3.480 618 H TYR 82 H TYR 82 2.962 0.218 -2.182 619 HA TYR 82 HA TYR 82 2.751 0.025 0.736 620 HB2 TYR 82 1HB TYR 82 4.277 2.060 -1.008 621 HB3 TYR 82 2HB TYR 82 4.099 2.207 0.729 622 HD1 TYR 82 2HD TYR 82 5.517 -0.014 -1.917 623 HD2 TYR 82 1HD TYR 82 5.649 1.192 2.186 624 HE1 TYR 82 2HE TYR 82 7.637 -1.376 -1.577 625 HE2 TYR 82 1HE TYR 82 7.768 -0.175 2.512 626 HH TYR 82 HH TYR 82 9.317 -1.780 -0.229 627 H VAL 83 H VAL 83 2.002 2.384 1.552 628 HA VAL 83 HA VAL 83 0.069 3.458 -0.358 629 HB VAL 83 HB VAL 83 -1.197 1.853 0.857 630 HG11 VAL 83 1HG1 VAL 83 0.420 2.795 3.158 631 HG12 VAL 83 2HG1 VAL 83 -1.284 2.418 3.510 632 HG13 VAL 83 3HG1 VAL 83 -0.228 1.178 2.791 633 HG21 VAL 83 1HG2 VAL 83 -2.709 3.524 0.683 634 HG22 VAL 83 2HG2 VAL 83 -2.511 3.633 2.449 635 HG23 VAL 83 3HG2 VAL 83 -1.609 4.736 1.382 636 H TYR 84 H TYR 84 0.145 5.652 -0.409 637 HA TYR 84 HA TYR 84 1.383 6.968 1.915 638 HB2 TYR 84 1HB TYR 84 1.540 7.357 -1.130 639 HB3 TYR 84 2HB TYR 84 2.047 8.630 -0.037 640 HD1 TYR 84 2HD TYR 84 2.602 4.916 -0.282 641 HD2 TYR 84 1HD TYR 84 4.338 8.794 0.213 642 HE1 TYR 84 2HE TYR 84 4.914 3.869 -0.125 643 HE2 TYR 84 1HE TYR 84 6.644 7.735 0.368 644 HH TYR 84 HH TYR 84 7.601 5.594 0.979 645 H ARG 85 H ARG 85 0.674 9.204 2.310 646 HA ARG 85 HA ARG 85 -2.126 9.399 1.790 647 HB2 ARG 85 1HB ARG 85 -0.738 9.997 3.992 648 HB3 ARG 85 2HB ARG 85 -0.510 11.544 3.201 649 HG2 ARG 85 1HG ARG 85 -3.314 10.517 3.169 650 HG3 ARG 85 2HG ARG 85 -2.690 10.907 4.759 651 HD2 ARG 85 1HD ARG 85 -1.921 13.169 3.739 652 HD3 ARG 85 2HD ARG 85 -2.905 12.761 2.348 653 HE ARG 85 HE ARG 85 -4.681 12.382 4.398 654 HH11 ARG 85 2HH2 ARG 85 -2.507 15.042 3.634 655 HH12 ARG 85 1HH2 ARG 85 -3.520 16.246 4.356 656 HH21 ARG 85 2HH1 ARG 85 -6.019 13.971 5.351 657 HH22 ARG 85 1HH1 ARG 85 -5.531 15.633 5.340 658 H LYS 86 H LYS 86 -2.911 10.438 -0.015 659 HA LYS 86 HA LYS 86 -1.229 11.918 -1.709 660 HB2 LYS 86 1HB LYS 86 -4.228 11.531 -1.593 661 HB3 LYS 86 2HB LYS 86 -3.441 12.473 -2.842 662 HG2 LYS 86 1HG LYS 86 -1.891 10.215 -2.926 663 HG3 LYS 86 2HG LYS 86 -3.404 9.514 -2.386 664 HD2 LYS 86 1HD LYS 86 -3.838 9.442 -4.648 665 HD3 LYS 86 2HD LYS 86 -4.384 11.083 -4.369 666 HE2 LYS 86 1HE LYS 86 -2.377 12.038 -5.229 667 HE3 LYS 86 2HE LYS 86 -1.467 10.555 -5.022 668 HZ1 LYS 86 1HZ LYS 86 -2.391 11.236 -7.324 669 HZ2 LYS 86 2HZ LYS 86 -2.370 9.663 -6.885 670 HZ3 LYS 86 3HZ LYS 86 -3.760 10.516 -6.802 671 H ASP 87 H ASP 87 -0.761 14.075 -1.844 672 HA ASP 87 HA ASP 87 -2.370 15.845 -0.207 673 HB2 ASP 87 1HB ASP 87 0.681 15.919 -0.258 674 HB3 ASP 87 2HB ASP 87 -0.369 16.940 0.705 675 H LEU 88 H LEU 88 -0.892 18.225 -0.679 676 HA LEU 88 HA LEU 88 -1.073 18.402 -3.597 677 HB2 LEU 88 1HB LEU 88 -1.083 20.706 -1.665 678 HB3 LEU 88 2HB LEU 88 -1.612 20.676 -3.335 679 HG LEU 88 HG LEU 88 -3.061 19.974 -0.874 680 HD11 LEU 88 1HD1 LEU 88 -3.902 20.827 -3.657 681 HD12 LEU 88 2HD1 LEU 88 -4.999 20.637 -2.268 682 HD13 LEU 88 3HD1 LEU 88 -3.712 21.866 -2.225 683 HD21 LEU 88 1HD2 LEU 88 -2.919 18.043 -3.134 684 HD22 LEU 88 2HD2 LEU 88 -3.213 17.771 -1.399 685 HD23 LEU 88 3HD2 LEU 88 -4.524 18.378 -2.440 686 H ALA 89 H ALA 89 0.863 18.135 -4.577 687 HA ALA 89 HA ALA 89 2.934 19.925 -4.223 688 HB1 ALA 89 1HB ALA 89 4.182 19.154 -2.522 689 HB2 ALA 89 2HB ALA 89 2.881 18.001 -2.140 690 HB3 ALA 89 3HB ALA 89 4.204 17.520 -3.228 691 H ASP 90 H ASP 90 3.158 16.318 -4.482 692 HA ASP 90 HA ASP 90 2.768 16.008 -7.105 693 HB2 ASP 90 1HB ASP 90 5.156 17.565 -6.696 694 HB3 ASP 90 2HB ASP 90 5.663 15.983 -7.254 695 H THR 91 H THR 91 5.234 15.469 -4.504 696 HA THR 91 HA THR 91 5.389 12.639 -5.211 697 HB THR 91 HB THR 91 6.918 14.057 -2.997 698 HG1 THR 91 1HG THR 91 7.141 15.400 -4.868 699 HG21 THR 91 1HG2 THR 91 7.400 11.656 -3.279 700 HG22 THR 91 2HG2 THR 91 7.563 11.866 -5.039 701 HG23 THR 91 3HG2 THR 91 8.764 12.588 -3.942 702 H LEU 92 H LEU 92 5.277 11.001 -3.448 703 HA LEU 92 HA LEU 92 2.974 11.658 -1.782 704 HB2 LEU 92 1HB LEU 92 4.047 9.230 -3.080 705 HB3 LEU 92 2HB LEU 92 3.353 8.991 -1.488 706 HG LEU 92 HG LEU 92 1.865 10.420 -3.698 707 HD11 LEU 92 1HD1 LEU 92 0.798 7.829 -3.386 708 HD12 LEU 92 2HD1 LEU 92 1.629 8.513 -4.804 709 HD13 LEU 92 3HD1 LEU 92 2.557 7.630 -3.569 710 HD21 LEU 92 1HD2 LEU 92 0.151 10.579 -2.277 711 HD22 LEU 92 2HD2 LEU 92 0.353 8.907 -1.701 712 HD23 LEU 92 3HD2 LEU 92 1.336 10.215 -1.000 713 H ASN 93 H ASN 93 2.943 11.098 0.495 714 HA ASN 93 HA ASN 93 5.639 10.881 1.582 715 HB2 ASN 93 1HB ASN 93 3.377 12.380 2.974 716 HB3 ASN 93 2HB ASN 93 5.093 12.471 3.315 717 HD21 ASN 93 1HD2 ASN 93 5.986 12.562 0.607 718 HD22 ASN 93 2HD2 ASN 93 5.598 14.117 -0.051 719 HA PRO 94 HA PRO 94 3.686 7.556 3.708 720 HB2 PRO 94 1HB PRO 94 5.733 6.842 5.373 721 HB3 PRO 94 2HB PRO 94 5.624 6.313 3.706 722 HG2 PRO 94 1HG PRO 94 7.392 8.368 4.887 723 HG3 PRO 94 2HG PRO 94 7.550 7.533 3.355 724 HD2 PRO 94 1HD PRO 94 6.637 10.222 3.757 725 HD3 PRO 94 2HD PRO 94 6.686 9.348 2.239 726 H PHE 95 H PHE 95 3.995 6.719 6.324 727 HA PHE 95 HA PHE 95 2.896 9.080 7.681 728 HB2 PHE 95 1HB PHE 95 2.335 6.070 7.734 729 HB3 PHE 95 2HB PHE 95 1.844 7.071 9.086 730 HD1 PHE 95 2HD PHE 95 0.614 9.366 8.168 731 HD2 PHE 95 1HD PHE 95 0.649 5.576 6.259 732 HE1 PHE 95 2HE PHE 95 -1.507 9.954 6.961 733 HE2 PHE 95 1HE PHE 95 -1.472 6.164 5.053 734 HZ PHE 95 HZ PHE 95 -2.525 8.346 5.418 735 H ALA 96 H ALA 96 2.866 8.213 10.294 736 HA ALA 96 HA ALA 96 5.729 8.045 10.839 737 HB1 ALA 96 1HB ALA 96 4.146 8.459 13.191 738 HB2 ALA 96 2HB ALA 96 5.228 9.609 12.369 739 HB3 ALA 96 3HB ALA 96 3.511 9.516 11.908 740 H GLU 97 H GLU 97 6.657 6.339 11.953 741 HA GLU 97 HA GLU 97 5.419 4.624 13.619 742 HB2 GLU 97 1HB GLU 97 4.551 4.111 10.924 743 HB3 GLU 97 2HB GLU 97 5.564 2.768 11.417 744 HG2 GLU 97 1HG GLU 97 4.125 2.118 13.135 745 HG3 GLU 97 2HG GLU 97 3.549 3.748 13.421 746 H ASN 98 H ASN 98 6.707 2.368 13.701 747 HA ASN 98 HA ASN 98 9.117 2.158 12.400 748 HB2 ASN 98 1HB ASN 98 9.511 4.282 13.898 749 HB3 ASN 98 2HB ASN 98 9.535 3.167 15.249 750 HD21 ASN 98 1HD2 ASN 98 11.478 2.646 15.858 751 HD22 ASN 98 2HD2 ASN 98 12.870 2.396 14.858 752 H SER 99 H SER 99 10.603 0.505 13.717 753 HA SER 99 HA SER 99 10.828 -1.375 14.778 754 HB2 SER 99 1HB SER 99 8.793 -0.017 16.524 755 HB3 SER 99 2HB SER 99 9.061 -1.728 16.793 756 HG SER 99 HG SER 99 11.230 -1.354 17.283 757 H GLY 100 H GLY 100 9.972 -3.596 14.840 758 HA2 GLY 100 1HA GLY 100 7.629 -4.694 14.641 759 HA3 GLY 100 2HA GLY 100 7.636 -3.892 13.083 760 HA PRO 101 HA PRO 101 10.020 -7.892 12.954 761 HB2 PRO 101 1HB PRO 101 8.127 -9.683 12.127 762 HB3 PRO 101 2HB PRO 101 8.618 -9.512 13.800 763 HG2 PRO 101 1HG PRO 101 6.135 -8.582 12.493 764 HG3 PRO 101 2HG PRO 101 6.460 -8.804 14.201 765 HD2 PRO 101 1HD PRO 101 6.374 -6.314 12.779 766 HD3 PRO 101 2HD PRO 101 6.812 -6.547 14.460 767 H SER 102 H SER 102 9.692 -9.680 10.882 768 HA SER 102 HA SER 102 9.010 -8.209 8.569 769 HB2 SER 102 1HB SER 102 11.377 -7.371 9.299 770 HB3 SER 102 2HB SER 102 11.950 -8.940 8.769 771 HG SER 102 HG SER 102 10.372 -7.193 7.086 772 H SER 103 H SER 103 9.575 -9.589 6.527 773 HA SER 103 HA SER 103 10.326 -12.259 6.953 774 HB2 SER 103 1HB SER 103 8.161 -13.342 6.400 775 HB3 SER 103 2HB SER 103 8.076 -12.464 7.914 776 HG SER 103 HG SER 103 7.080 -11.595 5.338 777 H GLY 104 H GLY 104 10.679 -13.340 4.917 778 HA2 GLY 104 1HA GLY 104 10.357 -13.528 2.587 779 HA3 GLY 104 2HA GLY 104 9.907 -11.836 2.506 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -29.214 -4.438 -3.293 2 HA2 GLY 1 1HA GLY 1 -28.561 -6.997 -4.123 3 HA3 GLY 1 2HA GLY 1 -27.708 -5.528 -4.554 4 H SER 2 H SER 2 -27.210 -8.538 -3.323 5 HA SER 2 HA SER 2 -25.083 -7.581 -1.571 6 HB2 SER 2 1HB SER 2 -27.160 -9.381 -0.982 7 HB3 SER 2 2HB SER 2 -25.782 -10.423 -1.275 8 HG SER 2 HG SER 2 -24.858 -9.763 0.550 9 H SER 3 H SER 3 -23.018 -8.787 -1.684 10 HA SER 3 HA SER 3 -22.791 -10.452 -4.049 11 HB2 SER 3 1HB SER 3 -21.510 -7.811 -3.587 12 HB3 SER 3 2HB SER 3 -20.396 -9.066 -4.091 13 HG SER 3 HG SER 3 -21.604 -9.414 -5.988 14 H GLY 4 H GLY 4 -20.903 -11.917 -3.973 15 HA2 GLY 4 1HA GLY 4 -18.932 -12.065 -2.117 16 HA3 GLY 4 2HA GLY 4 -20.312 -12.743 -1.276 17 H SER 5 H SER 5 -17.646 -13.675 -2.901 18 HA SER 5 HA SER 5 -18.874 -16.163 -3.620 19 HB2 SER 5 1HB SER 5 -18.854 -14.560 -5.684 20 HB3 SER 5 2HB SER 5 -17.120 -14.809 -5.696 21 HG SER 5 HG SER 5 -18.766 -16.327 -6.942 22 H SER 6 H SER 6 -17.242 -17.908 -3.844 23 HA SER 6 HA SER 6 -14.767 -17.121 -2.529 24 HB2 SER 6 1HB SER 6 -14.629 -19.531 -1.837 25 HB3 SER 6 2HB SER 6 -16.045 -18.710 -1.211 26 HG SER 6 HG SER 6 -15.970 -20.956 -2.685 27 H GLY 7 H GLY 7 -12.955 -18.979 -3.092 28 HA2 GLY 7 1HA GLY 7 -11.911 -20.245 -4.733 29 HA3 GLY 7 2HA GLY 7 -13.068 -19.690 -5.927 30 H GLU 8 H GLU 8 -9.956 -19.659 -5.667 31 HA GLU 8 HA GLU 8 -8.309 -18.391 -6.291 32 HB2 GLU 8 1HB GLU 8 -10.440 -16.548 -7.464 33 HB3 GLU 8 2HB GLU 8 -8.738 -16.528 -7.881 34 HG2 GLU 8 1HG GLU 8 -9.366 -17.960 -9.555 35 HG3 GLU 8 2HG GLU 8 -9.289 -19.181 -8.301 36 H GLU 9 H GLU 9 -7.970 -18.007 -3.931 37 HA GLU 9 HA GLU 9 -8.468 -15.200 -3.307 38 HB2 GLU 9 1HB GLU 9 -8.428 -17.612 -1.444 39 HB3 GLU 9 2HB GLU 9 -8.414 -15.956 -0.870 40 HG2 GLU 9 1HG GLU 9 -10.642 -15.686 -1.266 41 HG3 GLU 9 2HG GLU 9 -10.523 -16.368 -2.876 42 H ILE 10 H ILE 10 -6.747 -14.025 -2.278 43 HA ILE 10 HA ILE 10 -4.276 -15.421 -1.772 44 HB ILE 10 HB ILE 10 -4.386 -14.933 -4.260 45 HG12 ILE 10 1HG1 ILE 10 -1.996 -13.498 -3.315 46 HG13 ILE 10 2HG1 ILE 10 -2.294 -15.003 -2.468 47 HG21 ILE 10 1HG2 ILE 10 -4.909 -12.892 -4.944 48 HG22 ILE 10 2HG2 ILE 10 -4.935 -12.299 -3.266 49 HG23 ILE 10 3HG2 ILE 10 -3.417 -12.277 -4.194 50 HD11 ILE 10 1HD1 ILE 10 -1.797 -16.277 -4.298 51 HD12 ILE 10 2HD1 ILE 10 -2.695 -15.206 -5.399 52 HD13 ILE 10 3HD1 ILE 10 -1.031 -14.795 -4.920 53 H PHE 11 H PHE 11 -2.541 -13.495 -1.244 54 HA PHE 11 HA PHE 11 -4.037 -11.598 0.426 55 HB2 PHE 11 1HB PHE 11 -1.714 -13.482 0.864 56 HB3 PHE 11 2HB PHE 11 -1.562 -11.912 1.628 57 HD1 PHE 11 1HD PHE 11 -3.628 -11.150 3.057 58 HD2 PHE 11 2HD PHE 11 -2.824 -15.177 1.986 59 HE1 PHE 11 1HE PHE 11 -5.049 -11.943 4.968 60 HE2 PHE 11 2HE PHE 11 -4.244 -15.969 3.898 61 HZ PHE 11 HZ PHE 11 -5.340 -14.343 5.366 62 H CYS 12 H CYS 12 -3.383 -9.447 0.394 63 HA CYS 12 HA CYS 12 -1.202 -8.881 -1.476 64 HB2 CYS 12 1HB CYS 12 -3.183 -7.980 -2.399 65 HB3 CYS 12 2HB CYS 12 -3.749 -7.381 -0.852 66 HG CYS 12 HG CYS 12 -2.411 -5.824 -3.027 67 H HIS 13 H HIS 13 0.635 -8.050 -0.540 68 HA HIS 13 HA HIS 13 0.450 -7.227 2.230 69 HB2 HIS 13 1HB HIS 13 2.751 -7.882 0.385 70 HB3 HIS 13 2HB HIS 13 3.000 -7.166 1.965 71 HD1 HIS 13 1HD HIS 13 3.000 -10.357 0.414 72 HD2 HIS 13 2HD HIS 13 1.481 -8.897 4.042 73 HE1 HIS 13 1HE HIS 13 2.693 -12.387 1.929 74 H VAL 14 H VAL 14 0.043 -5.130 2.699 75 HA VAL 14 HA VAL 14 1.103 -3.135 0.817 76 HB VAL 14 HB VAL 14 -1.527 -3.469 2.147 77 HG11 VAL 14 1HG1 VAL 14 -1.711 -0.829 1.692 78 HG12 VAL 14 2HG1 VAL 14 -1.259 -1.506 3.275 79 HG13 VAL 14 3HG1 VAL 14 0.002 -0.910 2.168 80 HG21 VAL 14 1HG2 VAL 14 -1.633 -3.778 -0.153 81 HG22 VAL 14 2HG2 VAL 14 -2.117 -2.074 0.018 82 HG23 VAL 14 3HG2 VAL 14 -0.460 -2.482 -0.489 83 H TYR 15 H TYR 15 3.035 -2.573 1.771 84 HA TYR 15 HA TYR 15 3.291 -2.410 4.605 85 HB2 TYR 15 1HB TYR 15 4.856 -1.717 2.071 86 HB3 TYR 15 2HB TYR 15 5.472 -1.151 3.611 87 HD1 TYR 15 1HD TYR 15 3.776 -4.407 2.934 88 HD2 TYR 15 2HD TYR 15 7.451 -2.414 3.842 89 HE1 TYR 15 1HE TYR 15 4.909 -6.652 3.312 90 HE2 TYR 15 2HE TYR 15 8.571 -4.665 4.217 91 HH TYR 15 HH TYR 15 7.129 -7.578 3.250 92 H ILE 16 H ILE 16 2.843 -0.726 5.938 93 HA ILE 16 HA ILE 16 1.937 1.732 4.711 94 HB ILE 16 HB ILE 16 2.019 0.936 7.621 95 HG12 ILE 16 1HG1 ILE 16 -0.423 0.754 5.869 96 HG13 ILE 16 2HG1 ILE 16 0.713 -0.578 5.946 97 HG21 ILE 16 1HG2 ILE 16 1.202 2.948 8.065 98 HG22 ILE 16 2HG2 ILE 16 1.446 3.397 6.360 99 HG23 ILE 16 3HG2 ILE 16 -0.112 2.717 6.886 100 HD11 ILE 16 1HD1 ILE 16 0.049 -1.178 8.044 101 HD12 ILE 16 2HD1 ILE 16 0.027 0.509 8.613 102 HD13 ILE 16 3HD1 ILE 16 -1.370 -0.151 7.728 103 H THR 17 H THR 17 4.360 0.723 7.226 104 HA THR 17 HA THR 17 5.878 3.140 6.491 105 HB THR 17 HB THR 17 6.416 3.409 8.799 106 HG1 THR 17 1HG THR 17 5.530 0.619 8.824 107 HG21 THR 17 1HG2 THR 17 3.935 3.780 8.473 108 HG22 THR 17 2HG2 THR 17 3.663 2.065 8.865 109 HG23 THR 17 3HG2 THR 17 4.324 3.165 10.098 110 H GLU 18 H GLU 18 7.910 1.785 8.507 111 HA GLU 18 HA GLU 18 9.317 0.516 6.357 112 HB2 GLU 18 1HB GLU 18 11.239 0.549 7.883 113 HB3 GLU 18 2HB GLU 18 10.468 2.122 7.861 114 HG2 GLU 18 1HG GLU 18 9.094 1.192 9.927 115 HG3 GLU 18 2HG GLU 18 10.383 0.010 10.034 116 H HIS 19 H HIS 19 7.914 -0.316 9.574 117 HA HIS 19 HA HIS 19 8.170 -3.124 8.787 118 HB2 HIS 19 1HB HIS 19 8.396 -2.175 11.645 119 HB3 HIS 19 2HB HIS 19 8.742 -3.767 11.000 120 HD1 HIS 19 1HD HIS 19 10.695 -1.599 12.560 121 HD2 HIS 19 2HD HIS 19 10.784 -2.772 8.534 122 HE1 HIS 19 1HE HIS 19 13.062 -1.130 11.731 123 H SER 20 H SER 20 5.959 -1.553 8.099 124 HA SER 20 HA SER 20 3.988 -2.771 9.840 125 HB2 SER 20 1HB SER 20 3.482 0.020 8.799 126 HB3 SER 20 2HB SER 20 2.729 -0.801 10.151 127 HG SER 20 HG SER 20 4.150 0.218 11.376 128 H TYR 21 H TYR 21 2.132 -3.520 8.714 129 HA TYR 21 HA TYR 21 1.657 -2.672 6.015 130 HB2 TYR 21 1HB TYR 21 2.291 -4.768 4.995 131 HB3 TYR 21 2HB TYR 21 3.596 -4.476 6.128 132 HD1 TYR 21 2HD TYR 21 2.965 -5.420 8.639 133 HD2 TYR 21 1HD TYR 21 1.507 -6.942 4.916 134 HE1 TYR 21 2HE TYR 21 2.515 -7.673 9.728 135 HE2 TYR 21 1HE TYR 21 1.061 -9.189 6.017 136 HH TYR 21 HH TYR 21 2.380 -10.085 8.879 137 H VAL 22 H VAL 22 -0.073 -4.452 5.058 138 HA VAL 22 HA VAL 22 -1.817 -5.303 7.229 139 HB VAL 22 HB VAL 22 -2.707 -3.179 6.925 140 HG11 VAL 22 1HG1 VAL 22 -3.061 -2.074 4.780 141 HG12 VAL 22 2HG1 VAL 22 -1.357 -2.561 4.948 142 HG13 VAL 22 3HG1 VAL 22 -2.456 -3.507 3.916 143 HG21 VAL 22 1HG2 VAL 22 -4.876 -3.506 5.873 144 HG22 VAL 22 2HG2 VAL 22 -4.260 -4.914 4.974 145 HG23 VAL 22 3HG2 VAL 22 -4.400 -4.981 6.748 146 H SER 23 H SER 23 -2.688 -7.281 6.797 147 HA SER 23 HA SER 23 -2.049 -8.388 4.228 148 HB2 SER 23 1HB SER 23 -2.346 -10.491 5.223 149 HB3 SER 23 2HB SER 23 -1.782 -9.524 6.571 150 HG SER 23 HG SER 23 -4.142 -9.167 7.064 151 H VAL 24 H VAL 24 -3.486 -7.827 2.607 152 HA VAL 24 HA VAL 24 -6.336 -7.882 3.294 153 HB VAL 24 HB VAL 24 -4.879 -6.585 0.981 154 HG11 VAL 24 1HG1 VAL 24 -7.778 -6.873 1.685 155 HG12 VAL 24 2HG1 VAL 24 -7.226 -5.360 0.928 156 HG13 VAL 24 3HG1 VAL 24 -6.978 -6.914 0.096 157 HG21 VAL 24 1HG2 VAL 24 -5.919 -4.513 2.329 158 HG22 VAL 24 2HG2 VAL 24 -5.671 -5.630 3.692 159 HG23 VAL 24 3HG2 VAL 24 -4.296 -5.161 2.664 160 H LYS 25 H LYS 25 -7.557 -9.550 2.572 161 HA LYS 25 HA LYS 25 -6.291 -11.513 0.897 162 HB2 LYS 25 1HB LYS 25 -7.894 -11.804 2.974 163 HB3 LYS 25 2HB LYS 25 -9.159 -11.650 1.771 164 HG2 LYS 25 1HG LYS 25 -8.433 -13.580 0.571 165 HG3 LYS 25 2HG LYS 25 -6.839 -13.551 1.301 166 HD2 LYS 25 1HD LYS 25 -8.765 -13.764 3.436 167 HD3 LYS 25 2HD LYS 25 -9.205 -14.938 2.212 168 HE2 LYS 25 1HE LYS 25 -6.287 -14.844 2.736 169 HE3 LYS 25 2HE LYS 25 -7.226 -15.283 4.150 170 HZ1 LYS 25 1HZ LYS 25 -6.737 -16.785 1.812 171 HZ2 LYS 25 2HZ LYS 25 -7.315 -17.282 3.256 172 HZ3 LYS 25 3HZ LYS 25 -8.338 -16.700 2.123 173 H ALA 26 H ALA 26 -6.038 -10.835 -1.204 174 HA ALA 26 HA ALA 26 -8.434 -9.746 -2.503 175 HB1 ALA 26 1HB ALA 26 -7.015 -8.545 -3.914 176 HB2 ALA 26 2HB ALA 26 -6.107 -8.523 -2.384 177 HB3 ALA 26 3HB ALA 26 -5.654 -9.666 -3.671 178 H LYS 27 H LYS 27 -8.438 -10.374 -4.987 179 HA LYS 27 HA LYS 27 -8.385 -13.271 -5.007 180 HB2 LYS 27 1HB LYS 27 -9.398 -11.425 -7.177 181 HB3 LYS 27 2HB LYS 27 -9.791 -13.114 -6.925 182 HG2 LYS 27 1HG LYS 27 -10.414 -10.966 -4.851 183 HG3 LYS 27 2HG LYS 27 -11.540 -11.395 -6.124 184 HD2 LYS 27 1HD LYS 27 -11.685 -13.698 -5.329 185 HD3 LYS 27 2HD LYS 27 -10.363 -13.454 -4.205 186 HE2 LYS 27 1HE LYS 27 -11.733 -11.776 -2.952 187 HE3 LYS 27 2HE LYS 27 -13.055 -12.011 -4.078 188 HZ1 LYS 27 1HZ LYS 27 -12.596 -13.453 -1.839 189 HZ2 LYS 27 2HZ LYS 27 -13.635 -13.851 -3.034 190 HZ3 LYS 27 3HZ LYS 27 -12.121 -14.465 -3.029 191 H VAL 28 H VAL 28 -7.752 -14.175 -7.369 192 HA VAL 28 HA VAL 28 -4.963 -13.653 -7.564 193 HB VAL 28 HB VAL 28 -6.182 -15.854 -7.853 194 HG11 VAL 28 1HG1 VAL 28 -7.634 -16.199 -9.518 195 HG12 VAL 28 2HG1 VAL 28 -7.586 -14.445 -9.817 196 HG13 VAL 28 3HG1 VAL 28 -6.512 -15.533 -10.729 197 HG21 VAL 28 1HG2 VAL 28 -4.550 -16.716 -9.377 198 HG22 VAL 28 2HG2 VAL 28 -4.332 -15.124 -10.142 199 HG23 VAL 28 3HG2 VAL 28 -3.781 -15.391 -8.471 200 H SER 29 H SER 29 -7.761 -12.109 -8.790 201 HA SER 29 HA SER 29 -6.070 -10.699 -10.667 202 HB2 SER 29 1HB SER 29 -7.359 -12.444 -11.947 203 HB3 SER 29 2HB SER 29 -8.853 -11.723 -11.383 204 HG SER 29 HG SER 29 -8.669 -10.545 -13.172 205 H SER 30 H SER 30 -6.771 -9.878 -8.072 206 HA SER 30 HA SER 30 -9.097 -8.206 -8.363 207 HB2 SER 30 1HB SER 30 -9.137 -9.026 -6.207 208 HB3 SER 30 2HB SER 30 -7.393 -9.175 -6.112 209 HG SER 30 HG SER 30 -8.875 -7.267 -5.019 210 H ILE 31 H ILE 31 -8.973 -5.838 -7.915 211 HA ILE 31 HA ILE 31 -6.553 -4.750 -9.082 212 HB ILE 31 HB ILE 31 -7.918 -2.636 -9.066 213 HG12 ILE 31 1HG1 ILE 31 -10.304 -4.389 -8.511 214 HG13 ILE 31 2HG1 ILE 31 -9.451 -3.603 -7.198 215 HG21 ILE 31 1HG2 ILE 31 -9.016 -3.184 -11.060 216 HG22 ILE 31 2HG2 ILE 31 -7.657 -4.330 -10.971 217 HG23 ILE 31 3HG2 ILE 31 -9.302 -4.866 -10.552 218 HD11 ILE 31 1HD1 ILE 31 -9.676 -1.446 -8.763 219 HD12 ILE 31 2HD1 ILE 31 -11.035 -2.371 -9.445 220 HD13 ILE 31 3HD1 ILE 31 -11.019 -1.959 -7.714 221 H ALA 32 H ALA 32 -5.678 -2.651 -8.086 222 HA ALA 32 HA ALA 32 -4.819 -3.228 -5.484 223 HB1 ALA 32 1HB ALA 32 -4.708 -0.431 -6.544 224 HB2 ALA 32 2HB ALA 32 -3.429 -1.424 -5.805 225 HB3 ALA 32 3HB ALA 32 -3.904 -1.700 -7.498 226 H GLN 33 H GLN 33 -7.362 -1.048 -6.819 227 HA GLN 33 HA GLN 33 -7.963 0.365 -4.605 228 HB2 GLN 33 1HB GLN 33 -9.104 0.915 -6.609 229 HB3 GLN 33 2HB GLN 33 -9.674 -0.724 -6.854 230 HG2 GLN 33 1HG GLN 33 -11.580 -0.277 -5.711 231 HG3 GLN 33 2HG GLN 33 -10.660 0.188 -4.294 232 HE21 GLN 33 1HE2 GLN 33 -9.626 2.383 -4.396 233 HE22 GLN 33 2HE2 GLN 33 -10.560 3.690 -5.046 234 H GLU 34 H GLU 34 -8.971 -2.995 -5.431 235 HA GLU 34 HA GLU 34 -10.789 -3.329 -3.402 236 HB2 GLU 34 1HB GLU 34 -8.984 -5.238 -4.915 237 HB3 GLU 34 2HB GLU 34 -10.033 -5.834 -3.644 238 HG2 GLU 34 1HG GLU 34 -12.013 -4.852 -4.797 239 HG3 GLU 34 2HG GLU 34 -10.976 -4.211 -6.055 240 H ILE 35 H ILE 35 -7.374 -2.847 -3.237 241 HA ILE 35 HA ILE 35 -7.251 -4.096 -0.591 242 HB ILE 35 HB ILE 35 -4.938 -3.033 -2.195 243 HG12 ILE 35 1HG1 ILE 35 -6.030 -4.584 -3.671 244 HG13 ILE 35 2HG1 ILE 35 -4.592 -5.344 -3.018 245 HG21 ILE 35 1HG2 ILE 35 -4.400 -5.350 -0.587 246 HG22 ILE 35 2HG2 ILE 35 -3.711 -3.712 -0.479 247 HG23 ILE 35 3HG2 ILE 35 -5.204 -4.109 0.404 248 HD11 ILE 35 1HD1 ILE 35 -5.848 -6.726 -1.528 249 HD12 ILE 35 2HD1 ILE 35 -7.312 -5.731 -1.713 250 HD13 ILE 35 3HD1 ILE 35 -6.759 -6.759 -3.057 251 H LEU 36 H LEU 36 -6.480 -1.044 -2.388 252 HA LEU 36 HA LEU 36 -5.725 0.443 -0.185 253 HB2 LEU 36 1HB LEU 36 -5.422 1.027 -2.575 254 HB3 LEU 36 2HB LEU 36 -7.132 1.390 -2.685 255 HG LEU 36 HG LEU 36 -6.649 3.061 -0.729 256 HD11 LEU 36 1HD1 LEU 36 -4.553 3.410 -0.089 257 HD12 LEU 36 2HD1 LEU 36 -4.070 2.011 -1.078 258 HD13 LEU 36 3HD1 LEU 36 -4.020 3.650 -1.770 259 HD21 LEU 36 1HD2 LEU 36 -6.068 3.380 -3.655 260 HD22 LEU 36 2HD2 LEU 36 -7.415 4.017 -2.681 261 HD23 LEU 36 3HD2 LEU 36 -5.795 4.741 -2.541 262 H LYS 37 H LYS 37 -8.971 -0.336 -1.503 263 HA LYS 37 HA LYS 37 -10.379 1.465 0.119 264 HB2 LYS 37 1HB LYS 37 -12.340 0.159 -0.518 265 HB3 LYS 37 2HB LYS 37 -11.316 0.477 -1.904 266 HG2 LYS 37 1HG LYS 37 -11.340 -1.758 -2.307 267 HG3 LYS 37 2HG LYS 37 -10.301 -1.943 -0.908 268 HD2 LYS 37 1HD LYS 37 -12.160 -2.386 0.556 269 HD3 LYS 37 2HD LYS 37 -13.326 -1.797 -0.613 270 HE2 LYS 37 1HE LYS 37 -12.814 -3.702 -2.125 271 HE3 LYS 37 2HE LYS 37 -11.580 -4.273 -1.019 272 HZ1 LYS 37 1HZ LYS 37 -13.766 -5.358 -0.791 273 HZ2 LYS 37 2HZ LYS 37 -13.217 -4.705 0.602 274 HZ3 LYS 37 3HZ LYS 37 -14.393 -3.952 -0.245 275 H VAL 38 H VAL 38 -8.979 -1.754 0.670 276 HA VAL 38 HA VAL 38 -10.414 -2.076 3.151 277 HB VAL 38 HB VAL 38 -8.111 -3.693 2.057 278 HG11 VAL 38 1HG1 VAL 38 -9.501 -3.828 4.479 279 HG12 VAL 38 2HG1 VAL 38 -10.214 -5.118 3.480 280 HG13 VAL 38 3HG1 VAL 38 -8.458 -5.085 3.772 281 HG21 VAL 38 1HG2 VAL 38 -10.073 -3.353 0.433 282 HG22 VAL 38 2HG2 VAL 38 -9.592 -5.027 0.801 283 HG23 VAL 38 3HG2 VAL 38 -11.030 -4.322 1.579 284 H VAL 39 H VAL 39 -6.970 -1.604 2.093 285 HA VAL 39 HA VAL 39 -5.833 -1.440 4.574 286 HB VAL 39 HB VAL 39 -5.193 0.037 2.016 287 HG11 VAL 39 1HG1 VAL 39 -4.102 0.454 4.607 288 HG12 VAL 39 2HG1 VAL 39 -2.882 -0.428 3.657 289 HG13 VAL 39 3HG1 VAL 39 -3.538 1.112 3.052 290 HG21 VAL 39 1HG2 VAL 39 -4.162 -2.563 3.197 291 HG22 VAL 39 2HG2 VAL 39 -5.147 -2.364 1.728 292 HG23 VAL 39 3HG2 VAL 39 -3.475 -1.755 1.768 293 H ALA 40 H ALA 40 -7.173 1.291 2.584 294 HA ALA 40 HA ALA 40 -6.721 3.379 4.190 295 HB1 ALA 40 1HB ALA 40 -9.226 2.629 2.641 296 HB2 ALA 40 2HB ALA 40 -8.971 4.237 3.361 297 HB3 ALA 40 3HB ALA 40 -7.866 3.641 2.099 298 H GLU 41 H GLU 41 -9.397 0.968 4.594 299 HA GLU 41 HA GLU 41 -10.371 2.225 6.905 300 HB2 GLU 41 1HB GLU 41 -10.770 -0.698 6.168 301 HB3 GLU 41 2HB GLU 41 -11.852 0.334 7.082 302 HG2 GLU 41 1HG GLU 41 -11.316 1.577 4.511 303 HG3 GLU 41 2HG GLU 41 -11.800 -0.086 4.246 304 H LYS 42 H LYS 42 -8.150 -0.552 6.283 305 HA LYS 42 HA LYS 42 -7.894 -1.457 8.870 306 HB2 LYS 42 1HB LYS 42 -6.581 -1.811 6.336 307 HB3 LYS 42 2HB LYS 42 -5.365 -1.669 7.589 308 HG2 LYS 42 1HG LYS 42 -5.967 -4.009 7.449 309 HG3 LYS 42 2HG LYS 42 -6.640 -3.396 8.947 310 HD2 LYS 42 1HD LYS 42 -8.620 -4.267 8.236 311 HD3 LYS 42 2HD LYS 42 -8.705 -2.888 7.157 312 HE2 LYS 42 1HE LYS 42 -9.028 -5.069 5.957 313 HE3 LYS 42 2HE LYS 42 -7.664 -4.159 5.338 314 HZ1 LYS 42 1HZ LYS 42 -6.355 -5.825 5.875 315 HZ2 LYS 42 2HZ LYS 42 -6.813 -5.785 7.442 316 HZ3 LYS 42 3HZ LYS 42 -7.638 -6.703 6.372 317 H ILE 43 H ILE 43 -6.829 1.545 7.411 318 HA ILE 43 HA ILE 43 -5.199 2.071 9.796 319 HB ILE 43 HB ILE 43 -3.844 3.460 8.557 320 HG12 ILE 43 1HG1 ILE 43 -5.884 3.529 6.314 321 HG13 ILE 43 2HG1 ILE 43 -5.714 4.768 7.542 322 HG21 ILE 43 1HG2 ILE 43 -2.931 2.107 6.916 323 HG22 ILE 43 2HG2 ILE 43 -3.855 0.947 7.899 324 HG23 ILE 43 3HG2 ILE 43 -4.518 1.531 6.354 325 HD11 ILE 43 1HD1 ILE 43 -3.740 3.981 5.376 326 HD12 ILE 43 2HD1 ILE 43 -4.409 5.589 5.744 327 HD13 ILE 43 3HD1 ILE 43 -3.199 4.859 6.827 328 H GLN 44 H GLN 44 -8.140 2.755 8.090 329 HA GLN 44 HA GLN 44 -9.859 3.953 8.727 330 HB2 GLN 44 1HB GLN 44 -8.206 5.309 10.893 331 HB3 GLN 44 2HB GLN 44 -9.951 5.174 10.812 332 HG2 GLN 44 1HG GLN 44 -9.609 2.604 10.881 333 HG3 GLN 44 2HG GLN 44 -7.942 2.937 11.307 334 HE21 GLN 44 1HE2 GLN 44 -7.651 4.569 13.106 335 HE22 GLN 44 2HE2 GLN 44 -8.671 4.414 14.497 336 H TYR 45 H TYR 45 -8.648 4.731 6.514 337 HA TYR 45 HA TYR 45 -8.558 7.654 6.751 338 HB2 TYR 45 1HB TYR 45 -6.492 5.705 6.012 339 HB3 TYR 45 2HB TYR 45 -6.895 6.645 4.589 340 HD1 TYR 45 2HD TYR 45 -5.499 6.789 7.999 341 HD2 TYR 45 1HD TYR 45 -6.337 9.005 4.437 342 HE1 TYR 45 2HE TYR 45 -4.001 8.675 8.812 343 HE2 TYR 45 1HE TYR 45 -4.836 10.884 5.262 344 HH TYR 45 HH TYR 45 -2.606 10.643 7.302 345 H ALA 46 H ALA 46 -8.087 8.101 3.956 346 HA ALA 46 HA ALA 46 -10.601 7.028 2.870 347 HB1 ALA 46 1HB ALA 46 -9.375 9.542 1.807 348 HB2 ALA 46 2HB ALA 46 -11.088 9.109 2.024 349 HB3 ALA 46 3HB ALA 46 -10.113 9.614 3.425 350 H GLU 47 H GLU 47 -10.024 5.308 1.600 351 HA GLU 47 HA GLU 47 -7.637 4.831 0.486 352 HB2 GLU 47 1HB GLU 47 -8.895 3.432 -1.203 353 HB3 GLU 47 2HB GLU 47 -9.376 3.157 0.459 354 HG2 GLU 47 1HG GLU 47 -11.369 4.537 0.197 355 HG3 GLU 47 2HG GLU 47 -10.839 5.109 -1.373 356 H GLU 48 H GLU 48 -10.252 6.937 -0.784 357 HA GLU 48 HA GLU 48 -9.181 7.291 -3.310 358 HB2 GLU 48 1HB GLU 48 -10.628 9.321 -3.388 359 HB3 GLU 48 2HB GLU 48 -11.481 7.919 -2.773 360 HG2 GLU 48 1HG GLU 48 -10.760 8.787 -0.400 361 HG3 GLU 48 2HG GLU 48 -10.416 10.300 -1.214 362 H ASP 49 H ASP 49 -8.463 8.797 -0.156 363 HA ASP 49 HA ASP 49 -6.875 10.834 -1.366 364 HB2 ASP 49 1HB ASP 49 -7.244 9.928 1.527 365 HB3 ASP 49 2HB ASP 49 -6.243 11.292 1.070 366 H LEU 50 H LEU 50 -6.527 7.524 -0.839 367 HA LEU 50 HA LEU 50 -3.655 7.748 -0.282 368 HB2 LEU 50 1HB LEU 50 -5.559 5.433 0.090 369 HB3 LEU 50 2HB LEU 50 -3.826 5.351 0.336 370 HG LEU 50 HG LEU 50 -5.768 7.073 1.901 371 HD11 LEU 50 1HD1 LEU 50 -5.011 5.553 3.795 372 HD12 LEU 50 2HD1 LEU 50 -6.096 4.839 2.578 373 HD13 LEU 50 3HD1 LEU 50 -4.353 4.481 2.535 374 HD21 LEU 50 1HD2 LEU 50 -3.889 8.356 2.063 375 HD22 LEU 50 2HD2 LEU 50 -3.580 7.210 3.390 376 HD23 LEU 50 3HD2 LEU 50 -2.785 6.982 1.814 377 H ALA 51 H ALA 51 -2.560 5.569 -1.350 378 HA ALA 51 HA ALA 51 -3.579 4.848 -3.882 379 HB1 ALA 51 1HB ALA 51 -1.454 6.025 -5.006 380 HB2 ALA 51 2HB ALA 51 -3.018 6.861 -4.857 381 HB3 ALA 51 3HB ALA 51 -1.717 7.190 -3.687 382 H LEU 52 H LEU 52 -2.258 3.197 -4.864 383 HA LEU 52 HA LEU 52 -0.536 1.937 -2.924 384 HB2 LEU 52 1HB LEU 52 -1.646 1.113 -5.602 385 HB3 LEU 52 2HB LEU 52 -0.481 0.143 -4.723 386 HG LEU 52 HG LEU 52 -2.397 -0.861 -4.024 387 HD11 LEU 52 1HD1 LEU 52 -2.427 1.433 -2.050 388 HD12 LEU 52 2HD1 LEU 52 -2.930 -0.253 -1.782 389 HD13 LEU 52 3HD1 LEU 52 -1.212 0.132 -2.044 390 HD21 LEU 52 1HD2 LEU 52 -3.759 0.872 -5.379 391 HD22 LEU 52 2HD2 LEU 52 -4.555 -0.002 -4.048 392 HD23 LEU 52 3HD2 LEU 52 -4.003 1.674 -3.808 393 H VAL 53 H VAL 53 1.598 2.348 -2.793 394 HA VAL 53 HA VAL 53 2.890 3.399 -5.208 395 HB VAL 53 HB VAL 53 3.585 3.645 -2.275 396 HG11 VAL 53 1HG1 VAL 53 5.505 3.507 -4.052 397 HG12 VAL 53 2HG1 VAL 53 4.986 5.159 -4.465 398 HG13 VAL 53 3HG1 VAL 53 5.532 4.784 -2.813 399 HG21 VAL 53 1HG2 VAL 53 2.554 5.657 -4.301 400 HG22 VAL 53 2HG2 VAL 53 1.700 5.041 -2.866 401 HG23 VAL 53 3HG2 VAL 53 3.141 6.068 -2.672 402 H ALA 54 H ALA 54 4.378 2.162 -6.245 403 HA ALA 54 HA ALA 54 5.220 -0.282 -4.852 404 HB1 ALA 54 1HB ALA 54 5.306 -1.333 -6.964 405 HB2 ALA 54 2HB ALA 54 3.845 -0.319 -7.053 406 HB3 ALA 54 3HB ALA 54 5.350 0.218 -7.836 407 H ILE 55 H ILE 55 7.417 -0.779 -4.672 408 HA ILE 55 HA ILE 55 9.204 1.395 -5.510 409 HB ILE 55 HB ILE 55 9.662 -0.555 -3.259 410 HG12 ILE 55 1HG1 ILE 55 7.592 0.715 -2.830 411 HG13 ILE 55 2HG1 ILE 55 8.874 1.112 -1.703 412 HG21 ILE 55 1HG2 ILE 55 11.705 0.320 -3.338 413 HG22 ILE 55 2HG2 ILE 55 11.210 1.562 -4.513 414 HG23 ILE 55 3HG2 ILE 55 10.985 1.845 -2.770 415 HD11 ILE 55 1HD1 ILE 55 9.439 3.135 -3.081 416 HD12 ILE 55 2HD1 ILE 55 8.076 2.744 -4.157 417 HD13 ILE 55 3HD1 ILE 55 7.772 3.173 -2.456 418 H THR 56 H THR 56 10.718 0.937 -7.022 419 HA THR 56 HA THR 56 10.918 -1.835 -7.892 420 HB THR 56 HB THR 56 10.488 0.039 -9.514 421 HG1 THR 56 1HG THR 56 12.072 -0.865 -10.914 422 HG21 THR 56 1HG2 THR 56 12.158 1.623 -8.138 423 HG22 THR 56 2HG2 THR 56 13.384 0.853 -9.173 424 HG23 THR 56 3HG2 THR 56 12.043 1.764 -9.908 425 H PHE 57 H PHE 57 13.326 -2.306 -8.790 426 HA PHE 57 HA PHE 57 14.813 -2.778 -6.488 427 HB2 PHE 57 1HB PHE 57 16.361 -3.733 -8.091 428 HB3 PHE 57 2HB PHE 57 14.794 -3.890 -8.860 429 HD1 PHE 57 1HD PHE 57 17.839 -1.778 -8.761 430 HD2 PHE 57 2HD PHE 57 14.372 -2.883 -10.944 431 HE1 PHE 57 1HE PHE 57 18.693 -0.517 -10.757 432 HE2 PHE 57 2HE PHE 57 15.226 -1.623 -12.939 433 HZ PHE 57 HZ PHE 57 17.377 -0.455 -12.822 434 H SER 58 H SER 58 15.026 -0.206 -9.004 435 HA SER 58 HA SER 58 17.449 0.826 -8.273 436 HB2 SER 58 1HB SER 58 15.149 1.640 -9.861 437 HB3 SER 58 2HB SER 58 15.784 3.024 -8.995 438 HG SER 58 HG SER 58 16.901 2.860 -10.970 439 H GLY 59 H GLY 59 14.384 0.849 -6.590 440 HA2 GLY 59 1HA GLY 59 14.356 1.359 -4.273 441 HA3 GLY 59 2HA GLY 59 15.551 2.614 -4.537 442 H GLU 60 H GLU 60 14.033 3.384 -7.149 443 HA GLU 60 HA GLU 60 12.593 5.458 -6.015 444 HB2 GLU 60 1HB GLU 60 12.424 6.214 -8.170 445 HB3 GLU 60 2HB GLU 60 13.601 4.954 -8.484 446 HG2 GLU 60 1HG GLU 60 11.503 3.392 -8.806 447 HG3 GLU 60 2HG GLU 60 10.603 4.888 -8.960 448 H LYS 61 H LYS 61 10.246 5.916 -6.142 449 HA LYS 61 HA LYS 61 8.709 3.427 -5.903 450 HB2 LYS 61 1HB LYS 61 7.301 4.532 -4.339 451 HB3 LYS 61 2HB LYS 61 8.954 4.847 -3.852 452 HG2 LYS 61 1HG LYS 61 8.381 6.960 -5.618 453 HG3 LYS 61 2HG LYS 61 6.876 6.739 -4.749 454 HD2 LYS 61 1HD LYS 61 9.588 6.993 -3.368 455 HD3 LYS 61 2HD LYS 61 8.525 8.356 -3.661 456 HE2 LYS 61 1HE LYS 61 6.779 7.411 -2.254 457 HE3 LYS 61 2HE LYS 61 7.606 5.869 -2.153 458 HZ1 LYS 61 1HZ LYS 61 9.482 7.340 -1.183 459 HZ2 LYS 61 2HZ LYS 61 8.264 8.373 -0.842 460 HZ3 LYS 61 3HZ LYS 61 8.245 6.858 -0.233 461 H HIS 62 H HIS 62 6.398 3.565 -6.640 462 HA HIS 62 HA HIS 62 5.963 5.603 -8.656 463 HB2 HIS 62 1HB HIS 62 7.042 3.232 -9.453 464 HB3 HIS 62 2HB HIS 62 5.334 2.854 -9.563 465 HD1 HIS 62 1HD HIS 62 7.428 5.921 -10.580 466 HD2 HIS 62 2HD HIS 62 4.485 3.346 -12.097 467 HE1 HIS 62 1HE HIS 62 6.913 6.737 -12.942 468 H GLU 63 H GLU 63 3.770 6.104 -8.943 469 HA GLU 63 HA GLU 63 2.045 4.730 -7.047 470 HB2 GLU 63 1HB GLU 63 2.455 7.273 -6.917 471 HB3 GLU 63 2HB GLU 63 1.514 7.409 -8.389 472 HG2 GLU 63 1HG GLU 63 -0.109 5.782 -6.814 473 HG3 GLU 63 2HG GLU 63 0.610 6.844 -5.620 474 H LEU 64 H LEU 64 1.035 3.037 -8.086 475 HA LEU 64 HA LEU 64 0.369 3.214 -10.854 476 HB2 LEU 64 1HB LEU 64 -0.862 1.096 -9.227 477 HB3 LEU 64 2HB LEU 64 0.032 1.001 -10.731 478 HG LEU 64 HG LEU 64 2.045 1.640 -9.016 479 HD11 LEU 64 1HD1 LEU 64 1.643 1.189 -6.880 480 HD12 LEU 64 2HD1 LEU 64 -0.081 1.029 -7.293 481 HD13 LEU 64 3HD1 LEU 64 0.968 -0.408 -7.284 482 HD21 LEU 64 1HD2 LEU 64 2.620 -0.107 -10.312 483 HD22 LEU 64 2HD2 LEU 64 2.148 -1.066 -8.888 484 HD23 LEU 64 3HD2 LEU 64 1.001 -0.842 -10.231 485 H GLN 65 H GLN 65 -2.208 1.915 -10.816 486 HA GLN 65 HA GLN 65 -3.783 4.201 -9.927 487 HB2 GLN 65 1HB GLN 65 -3.941 2.391 -12.325 488 HB3 GLN 65 2HB GLN 65 -5.444 3.036 -11.695 489 HG2 GLN 65 1HG GLN 65 -3.575 5.212 -11.742 490 HG3 GLN 65 2HG GLN 65 -3.415 4.381 -13.277 491 HE21 GLN 65 1HE2 GLN 65 -5.363 6.358 -11.266 492 HE22 GLN 65 2HE2 GLN 65 -6.697 6.617 -12.340 493 HA PRO 66 HA PRO 66 -6.164 1.565 -7.434 494 HB2 PRO 66 1HB PRO 66 -8.701 2.563 -7.626 495 HB3 PRO 66 2HB PRO 66 -7.457 3.292 -6.631 496 HG2 PRO 66 1HG PRO 66 -8.523 4.207 -9.232 497 HG3 PRO 66 2HG PRO 66 -7.615 5.113 -8.039 498 HD2 PRO 66 1HD PRO 66 -6.618 4.046 -10.508 499 HD3 PRO 66 2HD PRO 66 -5.685 4.851 -9.261 500 H ASN 67 H ASN 67 -6.388 1.377 -10.676 501 HA ASN 67 HA ASN 67 -8.348 -0.765 -10.475 502 HB2 ASN 67 1HB ASN 67 -8.031 -0.480 -13.158 503 HB3 ASN 67 2HB ASN 67 -9.163 0.501 -12.248 504 HD21 ASN 67 1HD2 ASN 67 -8.875 2.635 -12.052 505 HD22 ASN 67 2HD2 ASN 67 -7.562 3.541 -12.725 506 H ASP 68 H ASP 68 -5.026 -0.093 -10.526 507 HA ASP 68 HA ASP 68 -4.103 -1.977 -12.357 508 HB2 ASP 68 1HB ASP 68 -2.831 -0.039 -11.220 509 HB3 ASP 68 2HB ASP 68 -2.693 -1.069 -9.810 510 H LEU 69 H LEU 69 -3.527 -4.201 -12.042 511 HA LEU 69 HA LEU 69 -4.868 -5.545 -9.946 512 HB2 LEU 69 1HB LEU 69 -2.923 -6.427 -12.075 513 HB3 LEU 69 2HB LEU 69 -3.630 -7.533 -10.914 514 HG LEU 69 HG LEU 69 -5.266 -5.811 -12.793 515 HD11 LEU 69 1HD1 LEU 69 -4.634 -7.147 -14.451 516 HD12 LEU 69 2HD1 LEU 69 -3.734 -8.210 -13.342 517 HD13 LEU 69 3HD1 LEU 69 -5.474 -8.474 -13.613 518 HD21 LEU 69 1HD2 LEU 69 -6.352 -6.627 -10.681 519 HD22 LEU 69 2HD2 LEU 69 -7.124 -7.177 -12.188 520 HD23 LEU 69 3HD2 LEU 69 -6.088 -8.289 -11.262 521 H VAL 70 H VAL 70 -4.042 -6.619 -8.111 522 HA VAL 70 HA VAL 70 -1.361 -5.691 -7.353 523 HB VAL 70 HB VAL 70 -2.479 -6.391 -5.020 524 HG11 VAL 70 1HG1 VAL 70 -3.074 -3.966 -4.745 525 HG12 VAL 70 2HG1 VAL 70 -1.445 -4.255 -5.400 526 HG13 VAL 70 3HG1 VAL 70 -2.763 -3.748 -6.484 527 HG21 VAL 70 1HG2 VAL 70 -4.804 -5.474 -6.745 528 HG22 VAL 70 2HG2 VAL 70 -4.619 -7.061 -5.961 529 HG23 VAL 70 3HG2 VAL 70 -4.829 -5.597 -4.970 530 H ILE 71 H ILE 71 -1.758 -7.961 -9.086 531 HA ILE 71 HA ILE 71 -0.384 -9.904 -7.507 532 HB ILE 71 HB ILE 71 -2.447 -10.665 -6.787 533 HG12 ILE 71 1HG1 ILE 71 -2.593 -12.487 -9.062 534 HG13 ILE 71 2HG1 ILE 71 -0.941 -12.234 -8.536 535 HG21 ILE 71 1HG2 ILE 71 -3.473 -10.058 -9.563 536 HG22 ILE 71 2HG2 ILE 71 -4.380 -11.041 -8.388 537 HG23 ILE 71 3HG2 ILE 71 -3.978 -9.349 -8.009 538 HD11 ILE 71 1HD1 ILE 71 -2.515 -14.074 -7.380 539 HD12 ILE 71 2HD1 ILE 71 -1.304 -13.170 -6.440 540 HD13 ILE 71 3HD1 ILE 71 -3.013 -12.674 -6.399 541 H SER 72 H SER 72 0.801 -8.552 -9.410 542 HA SER 72 HA SER 72 1.108 -10.518 -11.454 543 HB2 SER 72 1HB SER 72 0.901 -8.749 -13.299 544 HB3 SER 72 2HB SER 72 -0.602 -9.306 -12.589 545 HG SER 72 HG SER 72 0.589 -6.768 -12.507 546 H LYS 73 H LYS 73 3.140 -10.180 -12.680 547 HA LYS 73 HA LYS 73 4.884 -8.217 -11.360 548 HB2 LYS 73 1HB LYS 73 5.290 -11.118 -11.979 549 HB3 LYS 73 2HB LYS 73 6.670 -10.044 -12.093 550 HG2 LYS 73 1HG LYS 73 6.887 -10.258 -9.842 551 HG3 LYS 73 2HG LYS 73 5.460 -9.252 -9.692 552 HD2 LYS 73 1HD LYS 73 4.676 -11.997 -10.301 553 HD3 LYS 73 2HD LYS 73 5.744 -11.978 -8.912 554 HE2 LYS 73 1HE LYS 73 4.216 -9.976 -8.087 555 HE3 LYS 73 2HE LYS 73 3.063 -10.599 -9.251 556 HZ1 LYS 73 1HZ LYS 73 4.306 -12.484 -7.431 557 HZ2 LYS 73 2HZ LYS 73 3.148 -11.498 -6.836 558 HZ3 LYS 73 3HZ LYS 73 2.806 -12.502 -8.078 559 H SER 74 H SER 74 5.182 -6.560 -12.756 560 HA SER 74 HA SER 74 4.781 -6.837 -15.491 561 HB2 SER 74 1HB SER 74 5.702 -4.732 -13.615 562 HB3 SER 74 2HB SER 74 6.354 -4.566 -15.233 563 HG SER 74 HG SER 74 3.708 -4.261 -14.316 564 H LEU 75 H LEU 75 7.880 -6.019 -13.751 565 HA LEU 75 HA LEU 75 9.305 -7.968 -15.300 566 HB2 LEU 75 1HB LEU 75 10.862 -6.334 -16.294 567 HB3 LEU 75 2HB LEU 75 9.247 -6.296 -16.973 568 HG LEU 75 HG LEU 75 9.637 -4.378 -14.777 569 HD11 LEU 75 1HD1 LEU 75 11.905 -4.557 -16.086 570 HD12 LEU 75 2HD1 LEU 75 11.029 -3.622 -17.321 571 HD13 LEU 75 3HD1 LEU 75 11.215 -2.969 -15.676 572 HD21 LEU 75 1HD2 LEU 75 7.926 -3.429 -15.818 573 HD22 LEU 75 2HD2 LEU 75 8.892 -3.223 -17.300 574 HD23 LEU 75 3HD2 LEU 75 7.976 -4.727 -17.035 575 H GLU 76 H GLU 76 9.351 -8.611 -12.952 576 HA GLU 76 HA GLU 76 11.827 -7.840 -11.894 577 HB2 GLU 76 1HB GLU 76 9.454 -6.390 -10.933 578 HB3 GLU 76 2HB GLU 76 10.292 -7.207 -9.629 579 HG2 GLU 76 1HG GLU 76 12.234 -5.948 -11.403 580 HG3 GLU 76 2HG GLU 76 11.034 -4.768 -10.914 581 H ALA 77 H ALA 77 12.214 -9.010 -9.705 582 HA ALA 77 HA ALA 77 11.063 -11.638 -9.964 583 HB1 ALA 77 1HB ALA 77 13.340 -10.339 -8.506 584 HB2 ALA 77 2HB ALA 77 12.691 -11.863 -7.855 585 HB3 ALA 77 3HB ALA 77 13.321 -11.803 -9.519 586 H SER 78 H SER 78 11.445 -9.236 -7.254 587 HA SER 78 HA SER 78 8.745 -9.754 -6.486 588 HB2 SER 78 1HB SER 78 9.178 -10.618 -4.285 589 HB3 SER 78 2HB SER 78 10.091 -11.614 -5.402 590 HG SER 78 HG SER 78 11.797 -9.708 -4.810 591 H GLY 79 H GLY 79 8.025 -8.202 -4.768 592 HA2 GLY 79 1HA GLY 79 9.888 -6.116 -3.999 593 HA3 GLY 79 2HA GLY 79 8.666 -5.626 -5.156 594 H ARG 80 H ARG 80 7.919 -4.155 -3.387 595 HA ARG 80 HA ARG 80 5.910 -5.529 -1.873 596 HB2 ARG 80 1HB ARG 80 8.157 -3.907 -0.605 597 HB3 ARG 80 2HB ARG 80 6.615 -4.096 0.206 598 HG2 ARG 80 1HG ARG 80 7.698 -5.945 1.087 599 HG3 ARG 80 2HG ARG 80 7.026 -6.694 -0.348 600 HD2 ARG 80 1HD ARG 80 9.200 -7.333 -0.735 601 HD3 ARG 80 2HD ARG 80 9.365 -5.718 -1.394 602 HE ARG 80 HE ARG 80 10.276 -6.615 1.295 603 HH11 ARG 80 2HH2 ARG 80 10.009 -4.039 -1.088 604 HH12 ARG 80 1HH2 ARG 80 11.187 -3.030 -0.317 605 HH21 ARG 80 2HH1 ARG 80 11.831 -5.284 2.312 606 HH22 ARG 80 1HH1 ARG 80 12.230 -3.743 1.629 607 H ILE 81 H ILE 81 4.025 -4.318 -1.949 608 HA ILE 81 HA ILE 81 4.209 -1.684 -3.121 609 HB ILE 81 HB ILE 81 1.922 -3.528 -2.451 610 HG12 ILE 81 1HG1 ILE 81 3.496 -3.977 -4.423 611 HG13 ILE 81 2HG1 ILE 81 1.772 -3.962 -4.737 612 HG21 ILE 81 1HG2 ILE 81 1.164 -1.246 -2.086 613 HG22 ILE 81 2HG2 ILE 81 1.796 -0.759 -3.678 614 HG23 ILE 81 3HG2 ILE 81 0.446 -1.915 -3.571 615 HD11 ILE 81 1HD1 ILE 81 3.331 -2.638 -6.358 616 HD12 ILE 81 2HD1 ILE 81 1.843 -1.840 -5.794 617 HD13 ILE 81 3HD1 ILE 81 3.409 -1.426 -5.056 618 H TYR 82 H TYR 82 3.035 0.184 -2.166 619 HA TYR 82 HA TYR 82 2.743 -0.005 0.736 620 HB2 TYR 82 1HB TYR 82 4.317 2.098 -0.879 621 HB3 TYR 82 2HB TYR 82 4.122 2.120 0.862 622 HD1 TYR 82 2HD TYR 82 5.830 0.483 -1.959 623 HD2 TYR 82 1HD TYR 82 5.409 0.625 2.296 624 HE1 TYR 82 2HE TYR 82 7.952 -0.892 -1.696 625 HE2 TYR 82 1HE TYR 82 7.533 -0.751 2.545 626 HH TYR 82 HH TYR 82 8.724 -2.550 0.810 627 H VAL 83 H VAL 83 1.957 2.356 1.519 628 HA VAL 83 HA VAL 83 0.117 3.425 -0.487 629 HB VAL 83 HB VAL 83 -1.247 1.878 0.647 630 HG11 VAL 83 1HG1 VAL 83 0.513 2.381 2.869 631 HG12 VAL 83 2HG1 VAL 83 -1.176 2.593 3.389 632 HG13 VAL 83 3HG1 VAL 83 -0.661 1.063 2.638 633 HG21 VAL 83 1HG2 VAL 83 -2.357 3.989 0.360 634 HG22 VAL 83 2HG2 VAL 83 -2.818 3.342 1.953 635 HG23 VAL 83 3HG2 VAL 83 -1.611 4.646 1.836 636 H TYR 84 H TYR 84 0.130 5.627 -0.522 637 HA TYR 84 HA TYR 84 1.370 6.948 1.799 638 HB2 TYR 84 1HB TYR 84 1.430 7.363 -1.245 639 HB3 TYR 84 2HB TYR 84 1.911 8.655 -0.163 640 HD1 TYR 84 2HD TYR 84 2.607 4.963 -0.379 641 HD2 TYR 84 1HD TYR 84 4.203 8.916 -0.017 642 HE1 TYR 84 2HE TYR 84 4.962 4.011 -0.280 643 HE2 TYR 84 1HE TYR 84 6.553 7.951 0.080 644 HH TYR 84 HH TYR 84 7.290 5.086 0.874 645 H ARG 85 H ARG 85 0.657 9.223 2.156 646 HA ARG 85 HA ARG 85 -2.179 9.341 1.710 647 HB2 ARG 85 1HB ARG 85 -0.650 9.942 3.900 648 HB3 ARG 85 2HB ARG 85 -0.752 11.537 3.183 649 HG2 ARG 85 1HG ARG 85 -3.357 10.140 3.197 650 HG3 ARG 85 2HG ARG 85 -2.695 10.335 4.808 651 HD2 ARG 85 1HD ARG 85 -2.879 12.644 4.761 652 HD3 ARG 85 2HD ARG 85 -2.500 12.751 3.053 653 HE ARG 85 HE ARG 85 -5.034 11.458 3.312 654 HH11 ARG 85 2HH2 ARG 85 -3.575 14.619 3.826 655 HH12 ARG 85 1HH2 ARG 85 -5.050 15.486 3.551 656 HH21 ARG 85 2HH1 ARG 85 -6.979 12.601 2.950 657 HH22 ARG 85 1HH1 ARG 85 -6.999 14.330 3.050 658 H LYS 86 H LYS 86 -3.240 11.252 0.779 659 HA LYS 86 HA LYS 86 -1.447 12.703 -1.033 660 HB2 LYS 86 1HB LYS 86 -4.343 11.873 -1.261 661 HB3 LYS 86 2HB LYS 86 -3.652 13.113 -2.287 662 HG2 LYS 86 1HG LYS 86 -1.758 11.355 -2.771 663 HG3 LYS 86 2HG LYS 86 -2.875 10.181 -2.105 664 HD2 LYS 86 1HD LYS 86 -4.557 10.698 -3.789 665 HD3 LYS 86 2HD LYS 86 -3.659 12.096 -4.345 666 HE2 LYS 86 1HE LYS 86 -1.725 10.305 -4.782 667 HE3 LYS 86 2HE LYS 86 -3.054 9.163 -4.775 668 HZ1 LYS 86 1HZ LYS 86 -2.563 11.363 -6.611 669 HZ2 LYS 86 2HZ LYS 86 -2.983 9.819 -6.938 670 HZ3 LYS 86 3HZ LYS 86 -4.100 10.867 -6.373 671 H ASP 87 H ASP 87 -0.962 14.738 -0.432 672 HA ASP 87 HA ASP 87 -2.866 16.043 1.333 673 HB2 ASP 87 1HB ASP 87 -0.120 15.739 1.535 674 HB3 ASP 87 2HB ASP 87 -0.228 17.325 0.799 675 H LEU 88 H LEU 88 -0.620 16.629 -1.477 676 HA LEU 88 HA LEU 88 -2.562 18.045 -2.934 677 HB2 LEU 88 1HB LEU 88 -2.020 20.247 -2.691 678 HB3 LEU 88 2HB LEU 88 -1.893 19.665 -1.042 679 HG LEU 88 HG LEU 88 0.362 20.300 -2.955 680 HD11 LEU 88 1HD1 LEU 88 0.512 22.256 -1.912 681 HD12 LEU 88 2HD1 LEU 88 -1.041 21.879 -1.128 682 HD13 LEU 88 3HD1 LEU 88 0.488 21.480 -0.310 683 HD21 LEU 88 1HD2 LEU 88 0.877 19.356 -0.157 684 HD22 LEU 88 2HD2 LEU 88 0.607 18.165 -1.452 685 HD23 LEU 88 3HD2 LEU 88 1.939 19.338 -1.586 686 H ALA 89 H ALA 89 -1.655 18.815 -5.036 687 HA ALA 89 HA ALA 89 -0.402 18.509 -6.833 688 HB1 ALA 89 1HB ALA 89 1.710 19.229 -6.525 689 HB2 ALA 89 2HB ALA 89 1.386 19.182 -4.776 690 HB3 ALA 89 3HB ALA 89 2.133 17.781 -5.581 691 H ASP 90 H ASP 90 1.789 16.702 -7.344 692 HA ASP 90 HA ASP 90 0.296 14.224 -7.078 693 HB2 ASP 90 1HB ASP 90 2.344 15.262 -9.061 694 HB3 ASP 90 2HB ASP 90 2.075 13.537 -8.917 695 H THR 91 H THR 91 1.820 15.192 -4.827 696 HA THR 91 HA THR 91 4.233 13.510 -4.902 697 HB THR 91 HB THR 91 3.661 15.579 -2.770 698 HG1 THR 91 1HG THR 91 4.467 15.907 -5.572 699 HG21 THR 91 1HG2 THR 91 6.172 16.047 -3.477 700 HG22 THR 91 2HG2 THR 91 5.815 14.616 -2.481 701 HG23 THR 91 3HG2 THR 91 6.070 14.439 -4.234 702 H LEU 92 H LEU 92 4.754 12.235 -2.987 703 HA LEU 92 HA LEU 92 2.426 11.631 -1.335 704 HB2 LEU 92 1HB LEU 92 3.851 9.750 -3.178 705 HB3 LEU 92 2HB LEU 92 3.185 9.150 -1.672 706 HG LEU 92 HG LEU 92 1.660 10.482 -3.925 707 HD11 LEU 92 1HD1 LEU 92 2.405 7.770 -3.425 708 HD12 LEU 92 2HD1 LEU 92 0.641 7.919 -3.237 709 HD13 LEU 92 3HD1 LEU 92 1.422 8.439 -4.749 710 HD21 LEU 92 1HD2 LEU 92 0.975 10.148 -1.100 711 HD22 LEU 92 2HD2 LEU 92 0.213 11.146 -2.361 712 HD23 LEU 92 3HD2 LEU 92 -0.219 9.426 -2.206 713 H ASN 93 H ASN 93 2.941 11.085 0.786 714 HA ASN 93 HA ASN 93 5.761 11.409 1.383 715 HB2 ASN 93 1HB ASN 93 3.550 11.337 3.468 716 HB3 ASN 93 2HB ASN 93 5.090 12.170 3.547 717 HD21 ASN 93 1HD2 ASN 93 4.990 13.222 0.868 718 HD22 ASN 93 2HD2 ASN 93 3.833 14.511 0.838 719 HA PRO 94 HA PRO 94 5.745 7.137 2.454 720 HB2 PRO 94 1HB PRO 94 8.253 6.954 3.523 721 HB3 PRO 94 2HB PRO 94 7.938 6.883 1.800 722 HG2 PRO 94 1HG PRO 94 9.064 9.107 3.389 723 HG3 PRO 94 2HG PRO 94 9.133 8.850 1.657 724 HD2 PRO 94 1HD PRO 94 7.430 10.689 3.052 725 HD3 PRO 94 2HD PRO 94 7.419 10.347 1.333 726 H PHE 95 H PHE 95 4.062 8.367 4.046 727 HA PHE 95 HA PHE 95 3.361 8.620 6.147 728 HB2 PHE 95 1HB PHE 95 4.163 5.880 5.492 729 HB3 PHE 95 2HB PHE 95 4.410 6.130 7.209 730 HD1 PHE 95 1HD PHE 95 2.500 6.667 8.673 731 HD2 PHE 95 2HD PHE 95 1.951 5.790 4.557 732 HE1 PHE 95 1HE PHE 95 0.053 6.284 9.081 733 HE2 PHE 95 2HE PHE 95 -0.495 5.407 4.965 734 HZ PHE 95 HZ PHE 95 -1.415 5.658 7.222 735 H ALA 96 H ALA 96 4.271 7.474 8.628 736 HA ALA 96 HA ALA 96 5.493 8.198 10.344 737 HB1 ALA 96 1HB ALA 96 7.826 7.670 8.466 738 HB2 ALA 96 2HB ALA 96 7.800 7.517 10.239 739 HB3 ALA 96 3HB ALA 96 6.869 6.381 9.235 740 H GLU 97 H GLU 97 4.455 10.415 9.598 741 HA GLU 97 HA GLU 97 6.687 12.253 9.535 742 HB2 GLU 97 1HB GLU 97 5.026 11.785 7.268 743 HB3 GLU 97 2HB GLU 97 4.518 13.330 7.921 744 HG2 GLU 97 1HG GLU 97 6.707 14.277 7.713 745 HG3 GLU 97 2HG GLU 97 7.470 12.707 7.552 746 H ASN 98 H ASN 98 6.320 12.824 11.707 747 HA ASN 98 HA ASN 98 5.441 13.929 13.352 748 HB2 ASN 98 1HB ASN 98 4.290 15.236 11.013 749 HB3 ASN 98 2HB ASN 98 3.097 15.223 12.297 750 HD21 ASN 98 1HD2 ASN 98 5.469 16.975 10.964 751 HD22 ASN 98 2HD2 ASN 98 6.022 17.918 12.309 752 H SER 99 H SER 99 4.467 12.471 14.785 753 HA SER 99 HA SER 99 2.279 10.898 13.979 754 HB2 SER 99 1HB SER 99 3.529 11.386 16.718 755 HB3 SER 99 2HB SER 99 2.289 10.186 16.415 756 HG SER 99 HG SER 99 4.934 9.900 16.110 757 H GLY 100 H GLY 100 0.545 12.312 13.388 758 HA2 GLY 100 1HA GLY 100 -0.333 14.479 14.952 759 HA3 GLY 100 2HA GLY 100 -1.238 13.645 13.704 760 HA PRO 101 HA PRO 101 -3.456 12.602 17.446 761 HB2 PRO 101 1HB PRO 101 -5.965 12.728 16.371 762 HB3 PRO 101 2HB PRO 101 -5.179 14.097 17.131 763 HG2 PRO 101 1HG PRO 101 -5.612 13.572 14.255 764 HG3 PRO 101 2HG PRO 101 -5.227 15.086 15.048 765 HD2 PRO 101 1HD PRO 101 -3.427 13.424 13.556 766 HD3 PRO 101 2HD PRO 101 -3.018 14.877 14.446 767 H SER 102 H SER 102 -3.064 10.553 18.009 768 HA SER 102 HA SER 102 -3.214 8.390 17.979 769 HB2 SER 102 1HB SER 102 -5.759 9.153 17.515 770 HB3 SER 102 2HB SER 102 -5.482 8.308 16.005 771 HG SER 102 HG SER 102 -4.591 6.908 18.275 772 H SER 103 H SER 103 -1.247 7.918 16.913 773 HA SER 103 HA SER 103 -0.947 8.176 14.157 774 HB2 SER 103 1HB SER 103 0.953 8.149 15.737 775 HB3 SER 103 2HB SER 103 0.600 6.490 16.175 776 HG SER 103 HG SER 103 1.671 7.524 13.723 777 H GLY 104 H GLY 104 -2.758 7.099 13.147 778 HA2 GLY 104 1HA GLY 104 -2.344 4.245 12.808 779 HA3 GLY 104 2HA GLY 104 -3.859 4.699 13.563 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -3.386 -25.893 -2.819 2 HA2 GLY 1 1HA GLY 1 -2.968 -23.177 -3.376 3 HA3 GLY 1 2HA GLY 1 -1.565 -24.068 -3.932 4 H SER 2 H SER 2 -3.042 -22.795 -5.853 5 HA SER 2 HA SER 2 -3.846 -24.986 -7.435 6 HB2 SER 2 1HB SER 2 -5.898 -24.097 -5.876 7 HB3 SER 2 2HB SER 2 -6.075 -22.997 -7.228 8 HG SER 2 HG SER 2 -6.122 -25.888 -7.290 9 H SER 3 H SER 3 -4.650 -24.098 -9.688 10 HA SER 3 HA SER 3 -3.877 -21.383 -10.159 11 HB2 SER 3 1HB SER 3 -2.059 -21.778 -11.618 12 HB3 SER 3 2HB SER 3 -1.751 -22.860 -10.274 13 HG SER 3 HG SER 3 -1.574 -24.309 -11.866 14 H GLY 4 H GLY 4 -4.424 -20.722 -12.454 15 HA2 GLY 4 1HA GLY 4 -5.603 -20.890 -14.394 16 HA3 GLY 4 2HA GLY 4 -5.929 -22.580 -14.066 17 H SER 5 H SER 5 -8.091 -22.968 -13.921 18 HA SER 5 HA SER 5 -9.771 -20.818 -13.000 19 HB2 SER 5 1HB SER 5 -11.614 -22.107 -13.891 20 HB3 SER 5 2HB SER 5 -10.319 -22.148 -15.071 21 HG SER 5 HG SER 5 -10.561 -24.274 -14.973 22 H SER 6 H SER 6 -9.861 -20.668 -10.770 23 HA SER 6 HA SER 6 -11.137 -22.674 -9.345 24 HB2 SER 6 1HB SER 6 -8.312 -23.085 -9.587 25 HB3 SER 6 2HB SER 6 -8.605 -22.564 -7.940 26 HG SER 6 HG SER 6 -8.789 -24.971 -8.527 27 H GLY 7 H GLY 7 -10.794 -22.126 -6.778 28 HA2 GLY 7 1HA GLY 7 -11.853 -19.746 -6.190 29 HA3 GLY 7 2HA GLY 7 -10.730 -20.568 -5.126 30 H GLU 8 H GLU 8 -8.275 -20.375 -6.394 31 HA GLU 8 HA GLU 8 -6.581 -19.052 -6.693 32 HB2 GLU 8 1HB GLU 8 -8.740 -17.528 -8.127 33 HB3 GLU 8 2HB GLU 8 -7.215 -16.708 -7.861 34 HG2 GLU 8 1HG GLU 8 -6.008 -18.197 -9.211 35 HG3 GLU 8 2HG GLU 8 -7.114 -19.526 -8.927 36 H GLU 9 H GLU 9 -6.948 -19.050 -4.170 37 HA GLU 9 HA GLU 9 -7.681 -16.438 -3.210 38 HB2 GLU 9 1HB GLU 9 -7.578 -17.425 -0.994 39 HB3 GLU 9 2HB GLU 9 -8.434 -18.535 -2.046 40 HG2 GLU 9 1HG GLU 9 -6.123 -19.680 -2.430 41 HG3 GLU 9 2HG GLU 9 -5.563 -18.745 -1.058 42 H ILE 10 H ILE 10 -6.249 -15.008 -2.085 43 HA ILE 10 HA ILE 10 -3.544 -15.703 -1.630 44 HB ILE 10 HB ILE 10 -3.700 -15.437 -4.163 45 HG12 ILE 10 1HG1 ILE 10 -1.659 -13.510 -3.247 46 HG13 ILE 10 2HG1 ILE 10 -1.677 -15.023 -2.363 47 HG21 ILE 10 1HG2 ILE 10 -4.433 -13.551 -5.072 48 HG22 ILE 10 2HG2 ILE 10 -4.891 -12.993 -3.445 49 HG23 ILE 10 3HG2 ILE 10 -3.290 -12.584 -4.108 50 HD11 ILE 10 1HD1 ILE 10 -0.293 -14.770 -4.636 51 HD12 ILE 10 2HD1 ILE 10 -1.113 -16.297 -4.231 52 HD13 ILE 10 3HD1 ILE 10 -1.870 -15.155 -5.368 53 H PHE 11 H PHE 11 -2.297 -13.410 -1.229 54 HA PHE 11 HA PHE 11 -4.228 -11.615 0.041 55 HB2 PHE 11 1HB PHE 11 -1.856 -13.166 1.149 56 HB3 PHE 11 2HB PHE 11 -2.153 -11.570 1.808 57 HD1 PHE 11 1HD PHE 11 -3.786 -14.857 1.229 58 HD2 PHE 11 2HD PHE 11 -3.754 -11.264 3.486 59 HE1 PHE 11 1HE PHE 11 -5.501 -15.821 2.788 60 HE2 PHE 11 2HE PHE 11 -5.469 -12.228 5.045 61 HZ PHE 11 HZ PHE 11 -6.322 -14.494 4.677 62 H CYS 12 H CYS 12 -3.525 -9.412 0.232 63 HA CYS 12 HA CYS 12 -1.216 -8.849 -1.478 64 HB2 CYS 12 1HB CYS 12 -3.148 -7.942 -2.510 65 HB3 CYS 12 2HB CYS 12 -3.777 -7.317 -0.998 66 HG CYS 12 HG CYS 12 -2.044 -5.962 -3.166 67 H HIS 13 H HIS 13 0.572 -8.187 -0.339 68 HA HIS 13 HA HIS 13 0.126 -7.149 2.343 69 HB2 HIS 13 1HB HIS 13 2.514 -8.343 0.934 70 HB3 HIS 13 2HB HIS 13 2.681 -7.473 2.446 71 HD1 HIS 13 1HD HIS 13 1.799 -10.769 1.061 72 HD2 HIS 13 2HD HIS 13 1.209 -8.712 4.669 73 HE1 HIS 13 1HE HIS 13 1.131 -12.527 2.785 74 H VAL 14 H VAL 14 -0.024 -4.978 2.556 75 HA VAL 14 HA VAL 14 1.576 -3.362 0.692 76 HB VAL 14 HB VAL 14 -1.175 -3.034 1.840 77 HG11 VAL 14 1HG1 VAL 14 0.579 -0.776 0.814 78 HG12 VAL 14 2HG1 VAL 14 -1.165 -0.661 1.152 79 HG13 VAL 14 3HG1 VAL 14 -0.020 -0.981 2.478 80 HG21 VAL 14 1HG2 VAL 14 0.091 -2.935 -0.897 81 HG22 VAL 14 2HG2 VAL 14 -1.256 -3.943 -0.313 82 HG23 VAL 14 3HG2 VAL 14 -1.503 -2.202 -0.593 83 H TYR 15 H TYR 15 3.364 -2.599 1.692 84 HA TYR 15 HA TYR 15 3.348 -2.316 4.571 85 HB2 TYR 15 1HB TYR 15 5.312 -2.026 2.229 86 HB3 TYR 15 2HB TYR 15 5.795 -1.554 3.846 87 HD1 TYR 15 2HD TYR 15 3.920 -4.505 2.459 88 HD2 TYR 15 1HD TYR 15 7.230 -3.109 4.782 89 HE1 TYR 15 2HE TYR 15 4.583 -6.906 2.969 90 HE2 TYR 15 1HE TYR 15 7.883 -5.515 5.284 91 HH TYR 15 HH TYR 15 7.020 -7.640 5.324 92 H ILE 16 H ILE 16 3.239 -0.417 5.708 93 HA ILE 16 HA ILE 16 2.775 1.977 4.118 94 HB ILE 16 HB ILE 16 2.463 1.735 7.093 95 HG12 ILE 16 1HG1 ILE 16 1.150 -0.073 6.615 96 HG13 ILE 16 2HG1 ILE 16 -0.022 1.210 6.390 97 HG21 ILE 16 1HG2 ILE 16 2.236 3.882 5.480 98 HG22 ILE 16 2HG2 ILE 16 0.572 3.256 5.392 99 HG23 ILE 16 3HG2 ILE 16 1.289 3.659 6.970 100 HD11 ILE 16 1HD1 ILE 16 1.235 -0.584 4.374 101 HD12 ILE 16 2HD1 ILE 16 -0.365 0.195 4.364 102 HD13 ILE 16 3HD1 ILE 16 1.078 1.118 3.876 103 H THR 17 H THR 17 4.896 0.672 6.728 104 HA THR 17 HA THR 17 6.831 2.756 6.006 105 HB THR 17 HB THR 17 7.140 3.365 8.301 106 HG1 THR 17 1HG THR 17 6.252 1.918 9.948 107 HG21 THR 17 1HG2 THR 17 4.188 2.637 8.413 108 HG22 THR 17 2HG2 THR 17 5.006 4.064 9.094 109 HG23 THR 17 3HG2 THR 17 4.748 3.941 7.337 110 H GLU 18 H GLU 18 8.343 1.561 8.479 111 HA GLU 18 HA GLU 18 9.609 -0.449 6.854 112 HB2 GLU 18 1HB GLU 18 10.746 1.478 8.266 113 HB3 GLU 18 2HB GLU 18 10.550 0.371 9.611 114 HG2 GLU 18 1HG GLU 18 12.729 -0.082 8.710 115 HG3 GLU 18 2HG GLU 18 11.716 -1.415 8.192 116 H HIS 19 H HIS 19 7.624 -0.108 9.782 117 HA HIS 19 HA HIS 19 7.626 -3.027 9.976 118 HB2 HIS 19 1HB HIS 19 7.278 -1.424 12.468 119 HB3 HIS 19 2HB HIS 19 7.917 -3.041 12.251 120 HD1 HIS 19 1HD HIS 19 9.114 -0.075 13.493 121 HD2 HIS 19 2HD HIS 19 10.504 -2.529 10.387 122 HE1 HIS 19 1HE HIS 19 11.587 0.480 13.195 123 H SER 20 H SER 20 5.865 -1.314 8.437 124 HA SER 20 HA SER 20 3.429 -1.890 9.909 125 HB2 SER 20 1HB SER 20 3.654 0.601 8.194 126 HB3 SER 20 2HB SER 20 2.434 0.213 9.391 127 HG SER 20 HG SER 20 3.679 1.518 10.594 128 H TYR 21 H TYR 21 1.864 -2.912 8.646 129 HA TYR 21 HA TYR 21 1.859 -2.611 5.799 130 HB2 TYR 21 1HB TYR 21 2.669 -4.814 5.293 131 HB3 TYR 21 2HB TYR 21 3.721 -4.348 6.615 132 HD1 TYR 21 2HD TYR 21 2.726 -4.952 9.049 133 HD2 TYR 21 1HD TYR 21 1.684 -6.912 5.391 134 HE1 TYR 21 2HE TYR 21 1.991 -7.008 10.351 135 HE2 TYR 21 1HE TYR 21 0.952 -8.961 6.705 136 HH TYR 21 HH TYR 21 1.696 -9.907 9.124 137 H VAL 22 H VAL 22 0.238 -4.443 4.881 138 HA VAL 22 HA VAL 22 -1.790 -5.075 6.856 139 HB VAL 22 HB VAL 22 -2.634 -3.619 4.375 140 HG11 VAL 22 1HG1 VAL 22 -3.967 -4.866 6.511 141 HG12 VAL 22 2HG1 VAL 22 -4.140 -3.119 6.804 142 HG13 VAL 22 3HG1 VAL 22 -4.676 -3.820 5.257 143 HG21 VAL 22 1HG2 VAL 22 -1.686 -2.350 6.960 144 HG22 VAL 22 2HG2 VAL 22 -1.102 -2.043 5.307 145 HG23 VAL 22 3HG2 VAL 22 -2.735 -1.521 5.786 146 H SER 23 H SER 23 -2.802 -7.001 6.388 147 HA SER 23 HA SER 23 -1.950 -8.212 3.888 148 HB2 SER 23 1HB SER 23 -2.274 -9.168 6.631 149 HB3 SER 23 2HB SER 23 -3.196 -10.166 5.524 150 HG SER 23 HG SER 23 -1.280 -10.536 4.280 151 H VAL 24 H VAL 24 -3.525 -7.470 2.409 152 HA VAL 24 HA VAL 24 -6.318 -7.810 3.171 153 HB VAL 24 HB VAL 24 -5.046 -6.516 0.751 154 HG11 VAL 24 1HG1 VAL 24 -7.629 -7.422 0.992 155 HG12 VAL 24 2HG1 VAL 24 -7.774 -5.734 1.536 156 HG13 VAL 24 3HG1 VAL 24 -7.099 -6.096 -0.070 157 HG21 VAL 24 1HG2 VAL 24 -4.412 -5.055 2.403 158 HG22 VAL 24 2HG2 VAL 24 -6.044 -4.431 2.063 159 HG23 VAL 24 3HG2 VAL 24 -5.771 -5.489 3.468 160 H LYS 25 H LYS 25 -7.365 -9.657 2.665 161 HA LYS 25 HA LYS 25 -6.104 -11.479 0.816 162 HB2 LYS 25 1HB LYS 25 -7.072 -12.160 3.041 163 HB3 LYS 25 2HB LYS 25 -8.666 -11.824 2.396 164 HG2 LYS 25 1HG LYS 25 -8.030 -13.417 0.439 165 HG3 LYS 25 2HG LYS 25 -6.669 -13.909 1.427 166 HD2 LYS 25 1HD LYS 25 -8.364 -14.396 3.308 167 HD3 LYS 25 2HD LYS 25 -9.629 -14.158 2.118 168 HE2 LYS 25 1HE LYS 25 -7.412 -16.025 1.336 169 HE3 LYS 25 2HE LYS 25 -8.481 -16.583 2.608 170 HZ1 LYS 25 1HZ LYS 25 -10.256 -15.698 0.914 171 HZ2 LYS 25 2HZ LYS 25 -9.078 -16.043 -0.163 172 HZ3 LYS 25 3HZ LYS 25 -9.656 -17.214 0.818 173 H ALA 26 H ALA 26 -6.303 -10.795 -1.290 174 HA ALA 26 HA ALA 26 -9.063 -10.304 -2.183 175 HB1 ALA 26 1HB ALA 26 -6.452 -9.069 -3.148 176 HB2 ALA 26 2HB ALA 26 -8.039 -8.826 -3.916 177 HB3 ALA 26 3HB ALA 26 -7.754 -8.243 -2.258 178 H LYS 27 H LYS 27 -8.936 -10.566 -4.831 179 HA LYS 27 HA LYS 27 -8.333 -13.349 -5.142 180 HB2 LYS 27 1HB LYS 27 -9.316 -11.420 -7.255 181 HB3 LYS 27 2HB LYS 27 -9.478 -13.164 -7.230 182 HG2 LYS 27 1HG LYS 27 -10.674 -11.397 -5.053 183 HG3 LYS 27 2HG LYS 27 -11.550 -11.788 -6.520 184 HD2 LYS 27 1HD LYS 27 -10.318 -14.110 -5.080 185 HD3 LYS 27 2HD LYS 27 -11.642 -13.315 -4.252 186 HE2 LYS 27 1HE LYS 27 -12.354 -13.629 -7.048 187 HE3 LYS 27 2HE LYS 27 -11.791 -15.172 -6.436 188 HZ1 LYS 27 1HZ LYS 27 -14.136 -14.844 -6.049 189 HZ2 LYS 27 2HZ LYS 27 -13.343 -14.970 -4.627 190 HZ3 LYS 27 3HZ LYS 27 -13.847 -13.509 -5.154 191 H VAL 28 H VAL 28 -7.294 -13.891 -7.484 192 HA VAL 28 HA VAL 28 -4.620 -12.835 -7.266 193 HB VAL 28 HB VAL 28 -5.294 -15.269 -7.573 194 HG11 VAL 28 1HG1 VAL 28 -5.297 -14.926 -10.511 195 HG12 VAL 28 2HG1 VAL 28 -6.223 -16.043 -9.481 196 HG13 VAL 28 3HG1 VAL 28 -6.767 -14.360 -9.681 197 HG21 VAL 28 1HG2 VAL 28 -2.993 -14.109 -8.004 198 HG22 VAL 28 2HG2 VAL 28 -3.260 -15.773 -8.578 199 HG23 VAL 28 3HG2 VAL 28 -3.364 -14.410 -9.718 200 H SER 29 H SER 29 -7.489 -11.886 -8.781 201 HA SER 29 HA SER 29 -5.917 -10.416 -10.740 202 HB2 SER 29 1HB SER 29 -8.735 -11.248 -11.418 203 HB3 SER 29 2HB SER 29 -7.409 -10.858 -12.496 204 HG SER 29 HG SER 29 -8.123 -13.241 -12.106 205 H SER 30 H SER 30 -6.876 -9.744 -8.004 206 HA SER 30 HA SER 30 -9.154 -8.074 -8.418 207 HB2 SER 30 1HB SER 30 -8.404 -7.358 -5.964 208 HB3 SER 30 2HB SER 30 -9.197 -8.893 -6.253 209 HG SER 30 HG SER 30 -7.378 -9.975 -5.801 210 H ILE 31 H ILE 31 -9.090 -5.686 -7.894 211 HA ILE 31 HA ILE 31 -6.706 -4.535 -9.085 212 HB ILE 31 HB ILE 31 -8.133 -2.456 -9.056 213 HG12 ILE 31 1HG1 ILE 31 -10.453 -4.305 -8.514 214 HG13 ILE 31 2HG1 ILE 31 -9.647 -3.460 -7.207 215 HG21 ILE 31 1HG2 ILE 31 -9.210 -3.027 -11.060 216 HG22 ILE 31 2HG2 ILE 31 -7.801 -4.111 -10.978 217 HG23 ILE 31 3HG2 ILE 31 -9.422 -4.725 -10.571 218 HD11 ILE 31 1HD1 ILE 31 -9.969 -1.312 -8.684 219 HD12 ILE 31 2HD1 ILE 31 -11.173 -2.294 -9.552 220 HD13 ILE 31 3HD1 ILE 31 -11.375 -1.970 -7.813 221 H ALA 32 H ALA 32 -5.900 -2.405 -8.087 222 HA ALA 32 HA ALA 32 -4.989 -2.955 -5.505 223 HB1 ALA 32 1HB ALA 32 -3.684 -1.107 -5.849 224 HB2 ALA 32 2HB ALA 32 -4.237 -1.317 -7.528 225 HB3 ALA 32 3HB ALA 32 -5.039 -0.133 -6.468 226 H GLN 33 H GLN 33 -7.643 -0.853 -6.761 227 HA GLN 33 HA GLN 33 -8.293 0.464 -4.509 228 HB2 GLN 33 1HB GLN 33 -9.530 1.061 -6.404 229 HB3 GLN 33 2HB GLN 33 -9.900 -0.600 -6.825 230 HG2 GLN 33 1HG GLN 33 -11.770 -0.659 -5.496 231 HG3 GLN 33 2HG GLN 33 -10.991 0.208 -4.188 232 HE21 GLN 33 1HE2 GLN 33 -10.307 2.556 -4.996 233 HE22 GLN 33 2HE2 GLN 33 -11.608 3.492 -5.653 234 H GLU 34 H GLU 34 -9.237 -2.900 -5.434 235 HA GLU 34 HA GLU 34 -10.972 -3.361 -3.367 236 HB2 GLU 34 1HB GLU 34 -9.151 -5.164 -4.987 237 HB3 GLU 34 2HB GLU 34 -10.153 -5.832 -3.714 238 HG2 GLU 34 1HG GLU 34 -12.174 -4.763 -4.804 239 HG3 GLU 34 2HG GLU 34 -11.144 -4.223 -6.114 240 H ILE 35 H ILE 35 -7.510 -2.933 -3.333 241 HA ILE 35 HA ILE 35 -7.321 -4.191 -0.701 242 HB ILE 35 HB ILE 35 -5.054 -3.097 -2.348 243 HG12 ILE 35 1HG1 ILE 35 -6.098 -4.583 -3.868 244 HG13 ILE 35 2HG1 ILE 35 -4.750 -5.456 -3.168 245 HG21 ILE 35 1HG2 ILE 35 -3.808 -3.787 -0.652 246 HG22 ILE 35 2HG2 ILE 35 -5.272 -4.297 0.223 247 HG23 ILE 35 3HG2 ILE 35 -4.431 -5.443 -0.848 248 HD11 ILE 35 1HD1 ILE 35 -6.982 -6.730 -3.324 249 HD12 ILE 35 2HD1 ILE 35 -6.178 -6.748 -1.736 250 HD13 ILE 35 3HD1 ILE 35 -7.562 -5.665 -2.021 251 H LEU 36 H LEU 36 -6.612 -1.106 -2.463 252 HA LEU 36 HA LEU 36 -5.779 0.341 -0.262 253 HB2 LEU 36 1HB LEU 36 -5.591 0.955 -2.670 254 HB3 LEU 36 2HB LEU 36 -7.296 1.357 -2.668 255 HG LEU 36 HG LEU 36 -6.696 2.985 -0.735 256 HD11 LEU 36 1HD1 LEU 36 -4.581 3.251 -0.120 257 HD12 LEU 36 2HD1 LEU 36 -4.163 1.848 -1.132 258 HD13 LEU 36 3HD1 LEU 36 -4.061 3.492 -1.805 259 HD21 LEU 36 1HD2 LEU 36 -5.776 4.645 -2.557 260 HD22 LEU 36 2HD2 LEU 36 -6.181 3.313 -3.666 261 HD23 LEU 36 3HD2 LEU 36 -7.444 4.029 -2.636 262 H LYS 37 H LYS 37 -9.079 -0.370 -1.500 263 HA LYS 37 HA LYS 37 -10.424 1.378 0.216 264 HB2 LYS 37 1HB LYS 37 -12.406 0.090 -0.374 265 HB3 LYS 37 2HB LYS 37 -11.429 0.417 -1.791 266 HG2 LYS 37 1HG LYS 37 -11.506 -1.815 -2.212 267 HG3 LYS 37 2HG LYS 37 -10.382 -2.011 -0.881 268 HD2 LYS 37 1HD LYS 37 -12.139 -2.484 0.687 269 HD3 LYS 37 2HD LYS 37 -13.379 -1.862 -0.383 270 HE2 LYS 37 1HE LYS 37 -11.785 -4.082 -1.557 271 HE3 LYS 37 2HE LYS 37 -12.693 -4.541 -0.130 272 HZ1 LYS 37 1HZ LYS 37 -13.983 -4.777 -2.138 273 HZ2 LYS 37 2HZ LYS 37 -14.666 -3.662 -1.160 274 HZ3 LYS 37 3HZ LYS 37 -13.829 -3.187 -2.479 275 H VAL 38 H VAL 38 -9.012 -1.853 0.659 276 HA VAL 38 HA VAL 38 -10.359 -2.238 3.173 277 HB VAL 38 HB VAL 38 -8.052 -3.782 1.985 278 HG11 VAL 38 1HG1 VAL 38 -9.489 -5.627 3.266 279 HG12 VAL 38 2HG1 VAL 38 -8.262 -4.642 4.097 280 HG13 VAL 38 3HG1 VAL 38 -9.984 -4.212 4.226 281 HG21 VAL 38 1HG2 VAL 38 -9.492 -5.065 0.687 282 HG22 VAL 38 2HG2 VAL 38 -10.932 -4.574 1.610 283 HG23 VAL 38 3HG2 VAL 38 -10.162 -3.428 0.487 284 H VAL 39 H VAL 39 -6.903 -1.836 2.106 285 HA VAL 39 HA VAL 39 -5.758 -1.627 4.561 286 HB VAL 39 HB VAL 39 -5.124 -0.130 2.012 287 HG11 VAL 39 1HG1 VAL 39 -2.833 -0.714 3.683 288 HG12 VAL 39 2HG1 VAL 39 -3.381 0.841 3.012 289 HG13 VAL 39 3HG1 VAL 39 -4.021 0.269 4.572 290 HG21 VAL 39 1HG2 VAL 39 -3.458 -1.952 1.691 291 HG22 VAL 39 2HG2 VAL 39 -4.128 -2.777 3.119 292 HG23 VAL 39 3HG2 VAL 39 -5.142 -2.530 1.677 293 H ALA 40 H ALA 40 -7.120 1.098 2.578 294 HA ALA 40 HA ALA 40 -6.643 3.193 4.168 295 HB1 ALA 40 1HB ALA 40 -8.972 3.994 3.394 296 HB2 ALA 40 2HB ALA 40 -7.809 3.526 2.131 297 HB3 ALA 40 3HB ALA 40 -9.114 2.409 2.596 298 H GLU 41 H GLU 41 -9.229 0.714 4.658 299 HA GLU 41 HA GLU 41 -10.251 1.993 6.934 300 HB2 GLU 41 1HB GLU 41 -10.497 -0.971 6.300 301 HB3 GLU 41 2HB GLU 41 -11.628 0.033 7.187 302 HG2 GLU 41 1HG GLU 41 -11.179 1.217 4.575 303 HG3 GLU 41 2HG GLU 41 -11.564 -0.479 4.365 304 H LYS 42 H LYS 42 -7.908 -0.703 6.397 305 HA LYS 42 HA LYS 42 -7.582 -1.496 9.007 306 HB2 LYS 42 1HB LYS 42 -6.191 -1.791 6.473 307 HB3 LYS 42 2HB LYS 42 -5.053 -1.678 7.800 308 HG2 LYS 42 1HG LYS 42 -5.807 -4.036 7.347 309 HG3 LYS 42 2HG LYS 42 -6.130 -3.516 8.989 310 HD2 LYS 42 1HD LYS 42 -8.260 -4.242 8.597 311 HD3 LYS 42 2HD LYS 42 -8.460 -2.729 7.736 312 HE2 LYS 42 1HE LYS 42 -8.898 -3.935 5.863 313 HE3 LYS 42 2HE LYS 42 -7.216 -4.428 5.852 314 HZ1 LYS 42 1HZ LYS 42 -9.043 -5.850 7.602 315 HZ2 LYS 42 2HZ LYS 42 -9.111 -6.163 6.001 316 HZ3 LYS 42 3HZ LYS 42 -7.718 -6.399 6.820 317 H ILE 43 H ILE 43 -6.502 1.443 7.355 318 HA ILE 43 HA ILE 43 -4.934 2.150 9.726 319 HB ILE 43 HB ILE 43 -3.685 3.569 8.416 320 HG12 ILE 43 1HG1 ILE 43 -5.760 3.486 6.209 321 HG13 ILE 43 2HG1 ILE 43 -5.679 4.740 7.431 322 HG21 ILE 43 1HG2 ILE 43 -4.342 1.547 6.288 323 HG22 ILE 43 2HG2 ILE 43 -2.767 2.234 6.753 324 HG23 ILE 43 3HG2 ILE 43 -3.572 1.054 7.815 325 HD11 ILE 43 1HD1 ILE 43 -3.826 4.195 5.137 326 HD12 ILE 43 2HD1 ILE 43 -4.363 5.749 5.820 327 HD13 ILE 43 3HD1 ILE 43 -3.093 4.809 6.639 328 H GLN 44 H GLN 44 -7.952 2.635 8.088 329 HA GLN 44 HA GLN 44 -9.711 3.770 8.717 330 HB2 GLN 44 1HB GLN 44 -8.091 5.195 10.865 331 HB3 GLN 44 2HB GLN 44 -9.833 5.013 10.795 332 HG2 GLN 44 1HG GLN 44 -9.428 2.456 10.876 333 HG3 GLN 44 2HG GLN 44 -7.763 2.828 11.276 334 HE21 GLN 44 1HE2 GLN 44 -7.609 2.241 13.329 335 HE22 GLN 44 2HE2 GLN 44 -8.561 2.845 14.644 336 H TYR 45 H TYR 45 -8.541 4.592 6.490 337 HA TYR 45 HA TYR 45 -8.594 7.517 6.714 338 HB2 TYR 45 1HB TYR 45 -6.481 5.614 5.857 339 HB3 TYR 45 2HB TYR 45 -6.891 6.708 4.552 340 HD1 TYR 45 1HD TYR 45 -5.796 6.626 8.117 341 HD2 TYR 45 2HD TYR 45 -6.050 8.917 4.512 342 HE1 TYR 45 1HE TYR 45 -4.311 8.417 9.142 343 HE2 TYR 45 2HE TYR 45 -4.563 10.700 5.549 344 HH TYR 45 HH TYR 45 -3.794 10.674 8.908 345 H ALA 46 H ALA 46 -8.220 8.046 3.955 346 HA ALA 46 HA ALA 46 -10.659 6.813 2.871 347 HB1 ALA 46 1HB ALA 46 -9.633 9.584 3.026 348 HB2 ALA 46 2HB ALA 46 -10.245 9.115 1.422 349 HB3 ALA 46 3HB ALA 46 -11.302 8.989 2.849 350 H GLU 47 H GLU 47 -9.991 5.135 1.589 351 HA GLU 47 HA GLU 47 -7.635 4.707 0.478 352 HB2 GLU 47 1HB GLU 47 -8.924 3.510 -1.404 353 HB3 GLU 47 2HB GLU 47 -9.302 3.032 0.239 354 HG2 GLU 47 1HG GLU 47 -11.313 4.440 0.253 355 HG3 GLU 47 2HG GLU 47 -10.896 5.130 -1.303 356 H GLU 48 H GLU 48 -10.094 7.024 -0.679 357 HA GLU 48 HA GLU 48 -9.023 7.468 -3.186 358 HB2 GLU 48 1HB GLU 48 -10.390 9.589 -1.488 359 HB3 GLU 48 2HB GLU 48 -10.400 9.446 -3.234 360 HG2 GLU 48 1HG GLU 48 -11.421 6.987 -2.531 361 HG3 GLU 48 2HG GLU 48 -12.008 7.964 -1.200 362 H ASP 49 H ASP 49 -8.411 9.105 -0.012 363 HA ASP 49 HA ASP 49 -6.571 10.907 -1.121 364 HB2 ASP 49 1HB ASP 49 -6.914 9.941 1.757 365 HB3 ASP 49 2HB ASP 49 -5.971 11.340 1.283 366 H LEU 50 H LEU 50 -6.468 7.561 -0.653 367 HA LEU 50 HA LEU 50 -3.588 7.568 -0.094 368 HB2 LEU 50 1HB LEU 50 -5.708 5.454 0.285 369 HB3 LEU 50 2HB LEU 50 -3.990 5.126 0.399 370 HG LEU 50 HG LEU 50 -5.632 6.939 2.182 371 HD11 LEU 50 1HD1 LEU 50 -4.958 5.378 3.953 372 HD12 LEU 50 2HD1 LEU 50 -5.873 4.564 2.661 373 HD13 LEU 50 3HD1 LEU 50 -4.104 4.383 2.748 374 HD21 LEU 50 1HD2 LEU 50 -3.734 8.169 2.268 375 HD22 LEU 50 2HD2 LEU 50 -3.250 6.900 3.418 376 HD23 LEU 50 3HD2 LEU 50 -2.699 6.826 1.727 377 H ALA 51 H ALA 51 -2.541 5.475 -1.231 378 HA ALA 51 HA ALA 51 -3.616 4.762 -3.742 379 HB1 ALA 51 1HB ALA 51 -3.089 6.941 -4.521 380 HB2 ALA 51 2HB ALA 51 -1.550 6.979 -3.628 381 HB3 ALA 51 3HB ALA 51 -1.726 5.927 -5.053 382 H LEU 52 H LEU 52 -2.336 3.103 -4.743 383 HA LEU 52 HA LEU 52 -0.546 1.855 -2.858 384 HB2 LEU 52 1HB LEU 52 -1.664 0.996 -5.527 385 HB3 LEU 52 2HB LEU 52 -0.565 0.024 -4.569 386 HG LEU 52 HG LEU 52 -2.532 -0.893 -3.901 387 HD11 LEU 52 1HD1 LEU 52 -3.228 -0.055 -1.723 388 HD12 LEU 52 2HD1 LEU 52 -1.457 0.015 -1.891 389 HD13 LEU 52 3HD1 LEU 52 -2.425 1.501 -2.045 390 HD21 LEU 52 1HD2 LEU 52 -3.759 0.904 -5.369 391 HD22 LEU 52 2HD2 LEU 52 -4.645 -0.019 -4.132 392 HD23 LEU 52 3HD2 LEU 52 -4.118 1.647 -3.792 393 H VAL 53 H VAL 53 1.572 2.353 -2.780 394 HA VAL 53 HA VAL 53 2.788 3.364 -5.247 395 HB VAL 53 HB VAL 53 3.360 3.731 -2.317 396 HG11 VAL 53 1HG1 VAL 53 5.556 3.524 -2.878 397 HG12 VAL 53 2HG1 VAL 53 5.266 3.868 -4.600 398 HG13 VAL 53 3HG1 VAL 53 5.323 5.202 -3.423 399 HG21 VAL 53 1HG2 VAL 53 1.925 5.418 -2.931 400 HG22 VAL 53 2HG2 VAL 53 3.485 6.184 -3.317 401 HG23 VAL 53 3HG2 VAL 53 2.506 5.455 -4.613 402 H ALA 54 H ALA 54 3.767 1.791 -6.413 403 HA ALA 54 HA ALA 54 4.965 -0.430 -4.931 404 HB1 ALA 54 1HB ALA 54 3.226 -0.562 -6.944 405 HB2 ALA 54 2HB ALA 54 4.699 -0.365 -7.922 406 HB3 ALA 54 3HB ALA 54 4.556 -1.736 -6.797 407 H ILE 55 H ILE 55 7.082 -0.167 -4.436 408 HA ILE 55 HA ILE 55 8.681 1.504 -6.218 409 HB ILE 55 HB ILE 55 9.406 0.426 -3.497 410 HG12 ILE 55 1HG1 ILE 55 7.734 2.785 -4.275 411 HG13 ILE 55 2HG1 ILE 55 7.548 1.672 -2.934 412 HG21 ILE 55 1HG2 ILE 55 11.190 1.272 -5.130 413 HG22 ILE 55 2HG2 ILE 55 10.487 2.886 -4.868 414 HG23 ILE 55 3HG2 ILE 55 11.163 1.975 -3.496 415 HD11 ILE 55 1HD1 ILE 55 8.322 3.918 -2.178 416 HD12 ILE 55 2HD1 ILE 55 9.513 2.652 -1.798 417 HD13 ILE 55 3HD1 ILE 55 9.782 3.740 -3.180 418 H THR 56 H THR 56 10.790 0.759 -6.960 419 HA THR 56 HA THR 56 10.880 -2.181 -7.153 420 HB THR 56 HB THR 56 10.315 -1.026 -9.295 421 HG1 THR 56 1HG THR 56 12.107 -2.073 -10.386 422 HG21 THR 56 1HG2 THR 56 12.234 0.294 -10.365 423 HG22 THR 56 2HG2 THR 56 11.389 1.156 -9.057 424 HG23 THR 56 3HG2 THR 56 12.969 0.396 -8.747 425 H PHE 57 H PHE 57 13.301 -2.791 -7.929 426 HA PHE 57 HA PHE 57 14.857 -2.699 -5.744 427 HB2 PHE 57 1HB PHE 57 15.072 -3.218 -8.629 428 HB3 PHE 57 2HB PHE 57 16.565 -2.490 -8.070 429 HD1 PHE 57 1HD PHE 57 14.178 -5.140 -6.941 430 HD2 PHE 57 2HD PHE 57 18.221 -3.938 -7.406 431 HE1 PHE 57 1HE PHE 57 14.940 -7.369 -6.075 432 HE2 PHE 57 2HE PHE 57 18.983 -6.167 -6.540 433 HZ PHE 57 HZ PHE 57 17.334 -7.856 -5.885 434 H SER 58 H SER 58 17.087 -1.625 -5.463 435 HA SER 58 HA SER 58 18.319 0.140 -5.178 436 HB2 SER 58 1HB SER 58 17.080 0.700 -7.802 437 HB3 SER 58 2HB SER 58 17.566 2.156 -6.957 438 HG SER 58 HG SER 58 19.693 0.924 -6.605 439 H GLY 59 H GLY 59 15.220 1.659 -6.350 440 HA2 GLY 59 1HA GLY 59 13.844 2.229 -4.182 441 HA3 GLY 59 2HA GLY 59 15.182 3.337 -3.956 442 H GLU 60 H GLU 60 12.423 2.462 -6.052 443 HA GLU 60 HA GLU 60 12.412 5.209 -6.956 444 HB2 GLU 60 1HB GLU 60 12.612 2.772 -8.726 445 HB3 GLU 60 2HB GLU 60 11.694 4.152 -9.294 446 HG2 GLU 60 1HG GLU 60 13.711 5.620 -8.819 447 HG3 GLU 60 2HG GLU 60 14.616 4.178 -8.403 448 H LYS 61 H LYS 61 10.425 6.025 -6.469 449 HA LYS 61 HA LYS 61 8.310 4.289 -5.732 450 HB2 LYS 61 1HB LYS 61 8.432 7.291 -6.142 451 HB3 LYS 61 2HB LYS 61 7.042 6.438 -5.501 452 HG2 LYS 61 1HG LYS 61 8.926 5.396 -3.856 453 HG3 LYS 61 2HG LYS 61 9.736 6.901 -4.242 454 HD2 LYS 61 1HD LYS 61 7.314 7.943 -3.711 455 HD3 LYS 61 2HD LYS 61 7.129 6.466 -2.786 456 HE2 LYS 61 1HE LYS 61 8.267 7.481 -1.102 457 HE3 LYS 61 2HE LYS 61 9.708 7.361 -2.092 458 HZ1 LYS 61 1HZ LYS 61 8.780 9.492 -3.149 459 HZ2 LYS 61 2HZ LYS 61 7.912 9.627 -1.773 460 HZ3 LYS 61 3HZ LYS 61 9.543 9.587 -1.708 461 H HIS 62 H HIS 62 6.275 3.955 -6.774 462 HA HIS 62 HA HIS 62 5.997 4.949 -9.461 463 HB2 HIS 62 1HB HIS 62 7.148 2.386 -8.992 464 HB3 HIS 62 2HB HIS 62 5.529 2.121 -9.609 465 HD1 HIS 62 1HD HIS 62 8.573 4.275 -10.539 466 HD2 HIS 62 2HD HIS 62 5.416 2.175 -12.333 467 HE1 HIS 62 1HE HIS 62 8.938 4.451 -13.058 468 H GLU 63 H GLU 63 3.977 5.791 -9.357 469 HA GLU 63 HA GLU 63 2.075 4.449 -7.644 470 HB2 GLU 63 1HB GLU 63 2.628 7.096 -7.939 471 HB3 GLU 63 2HB GLU 63 1.336 6.952 -9.115 472 HG2 GLU 63 1HG GLU 63 0.592 5.507 -6.702 473 HG3 GLU 63 2HG GLU 63 1.101 7.127 -6.267 474 H LEU 64 H LEU 64 -0.032 3.768 -8.400 475 HA LEU 64 HA LEU 64 -0.240 3.598 -11.320 476 HB2 LEU 64 1HB LEU 64 -1.325 1.321 -9.819 477 HB3 LEU 64 2HB LEU 64 -0.468 1.373 -11.347 478 HG LEU 64 HG LEU 64 1.622 1.881 -9.805 479 HD11 LEU 64 1HD1 LEU 64 0.759 0.052 -7.802 480 HD12 LEU 64 2HD1 LEU 64 1.316 1.733 -7.616 481 HD13 LEU 64 3HD1 LEU 64 -0.413 1.390 -7.869 482 HD21 LEU 64 1HD2 LEU 64 0.336 -0.664 -10.642 483 HD22 LEU 64 2HD2 LEU 64 1.926 0.018 -11.057 484 HD23 LEU 64 3HD2 LEU 64 1.683 -0.778 -9.484 485 H GLN 65 H GLN 65 -2.767 2.174 -11.220 486 HA GLN 65 HA GLN 65 -4.374 4.385 -10.225 487 HB2 GLN 65 1HB GLN 65 -4.629 2.471 -12.529 488 HB3 GLN 65 2HB GLN 65 -6.113 3.051 -11.799 489 HG2 GLN 65 1HG GLN 65 -4.326 5.304 -12.108 490 HG3 GLN 65 2HG GLN 65 -4.371 4.434 -13.629 491 HE21 GLN 65 1HE2 GLN 65 -5.848 6.722 -11.734 492 HE22 GLN 65 2HE2 GLN 65 -7.404 6.816 -12.490 493 HA PRO 66 HA PRO 66 -6.420 1.769 -7.431 494 HB2 PRO 66 1HB PRO 66 -9.006 2.653 -7.450 495 HB3 PRO 66 2HB PRO 66 -7.718 3.478 -6.595 496 HG2 PRO 66 1HG PRO 66 -9.034 4.229 -9.133 497 HG3 PRO 66 2HG PRO 66 -8.071 5.224 -8.059 498 HD2 PRO 66 1HD PRO 66 -7.235 4.088 -10.557 499 HD3 PRO 66 2HD PRO 66 -6.240 4.986 -9.428 500 H ASN 67 H ASN 67 -7.013 1.498 -10.655 501 HA ASN 67 HA ASN 67 -8.748 -0.788 -10.162 502 HB2 ASN 67 1HB ASN 67 -9.809 0.697 -11.735 503 HB3 ASN 67 2HB ASN 67 -8.308 1.009 -12.584 504 HD21 ASN 67 1HD2 ASN 67 -10.660 -1.510 -11.786 505 HD22 ASN 67 2HD2 ASN 67 -10.468 -2.467 -13.216 506 H ASP 68 H ASP 68 -5.539 0.107 -10.617 507 HA ASP 68 HA ASP 68 -4.784 -1.786 -12.569 508 HB2 ASP 68 1HB ASP 68 -3.559 0.323 -11.009 509 HB3 ASP 68 2HB ASP 68 -2.584 -1.121 -10.831 510 H LEU 69 H LEU 69 -4.446 -3.990 -12.208 511 HA LEU 69 HA LEU 69 -5.118 -5.327 -9.986 512 HB2 LEU 69 1HB LEU 69 -2.973 -5.974 -12.008 513 HB3 LEU 69 2HB LEU 69 -3.527 -7.110 -10.794 514 HG LEU 69 HG LEU 69 -5.064 -5.963 -13.124 515 HD11 LEU 69 1HD1 LEU 69 -3.722 -7.902 -13.636 516 HD12 LEU 69 2HD1 LEU 69 -4.406 -8.789 -12.253 517 HD13 LEU 69 3HD1 LEU 69 -5.443 -8.357 -13.634 518 HD21 LEU 69 1HD2 LEU 69 -6.606 -5.772 -11.315 519 HD22 LEU 69 2HD2 LEU 69 -7.045 -7.227 -12.242 520 HD23 LEU 69 3HD2 LEU 69 -6.178 -7.385 -10.696 521 H VAL 70 H VAL 70 -3.970 -6.318 -8.188 522 HA VAL 70 HA VAL 70 -1.805 -4.572 -7.280 523 HB VAL 70 HB VAL 70 -2.671 -6.271 -5.214 524 HG11 VAL 70 1HG1 VAL 70 -3.069 -3.354 -5.890 525 HG12 VAL 70 2HG1 VAL 70 -3.728 -4.062 -4.395 526 HG13 VAL 70 3HG1 VAL 70 -1.973 -4.091 -4.696 527 HG21 VAL 70 1HG2 VAL 70 -4.655 -6.888 -6.430 528 HG22 VAL 70 2HG2 VAL 70 -5.120 -5.740 -5.152 529 HG23 VAL 70 3HG2 VAL 70 -4.994 -5.189 -6.840 530 H ILE 71 H ILE 71 -2.576 -7.938 -6.274 531 HA ILE 71 HA ILE 71 -0.045 -8.793 -5.964 532 HB ILE 71 HB ILE 71 -1.781 -10.152 -5.221 533 HG12 ILE 71 1HG1 ILE 71 -1.215 -12.063 -7.336 534 HG13 ILE 71 2HG1 ILE 71 0.237 -11.204 -6.863 535 HG21 ILE 71 1HG2 ILE 71 -3.731 -10.465 -6.249 536 HG22 ILE 71 2HG2 ILE 71 -3.149 -9.328 -7.488 537 HG23 ILE 71 3HG2 ILE 71 -2.947 -11.080 -7.724 538 HD11 ILE 71 1HD1 ILE 71 -0.609 -11.672 -4.394 539 HD12 ILE 71 2HD1 ILE 71 -1.566 -12.950 -5.181 540 HD13 ILE 71 3HD1 ILE 71 0.209 -12.960 -5.311 541 H SER 72 H SER 72 -1.929 -9.617 -8.962 542 HA SER 72 HA SER 72 -1.146 -10.278 -10.917 543 HB2 SER 72 1HB SER 72 -1.043 -7.539 -10.625 544 HB3 SER 72 2HB SER 72 0.582 -7.870 -11.192 545 HG SER 72 HG SER 72 -1.635 -9.087 -12.541 546 H LYS 73 H LYS 73 0.197 -12.059 -9.930 547 HA LYS 73 HA LYS 73 3.059 -11.456 -9.954 548 HB2 LYS 73 1HB LYS 73 1.488 -12.860 -8.151 549 HB3 LYS 73 2HB LYS 73 2.240 -14.135 -9.090 550 HG2 LYS 73 1HG LYS 73 4.361 -13.643 -8.326 551 HG3 LYS 73 2HG LYS 73 4.077 -11.913 -8.322 552 HD2 LYS 73 1HD LYS 73 2.367 -13.147 -6.325 553 HD3 LYS 73 2HD LYS 73 4.009 -13.714 -6.090 554 HE2 LYS 73 1HE LYS 73 4.857 -11.535 -5.714 555 HE3 LYS 73 2HE LYS 73 3.530 -10.760 -6.557 556 HZ1 LYS 73 1HZ LYS 73 3.176 -12.234 -4.044 557 HZ2 LYS 73 2HZ LYS 73 3.440 -10.624 -4.109 558 HZ3 LYS 73 3HZ LYS 73 2.092 -11.259 -4.778 559 H SER 74 H SER 74 0.998 -14.305 -10.875 560 HA SER 74 HA SER 74 0.955 -15.534 -12.666 561 HB2 SER 74 1HB SER 74 2.618 -13.548 -14.242 562 HB3 SER 74 2HB SER 74 1.365 -14.624 -14.828 563 HG SER 74 HG SER 74 1.147 -12.081 -13.646 564 H LEU 75 H LEU 75 4.163 -13.844 -13.046 565 HA LEU 75 HA LEU 75 5.467 -16.390 -12.464 566 HB2 LEU 75 1HB LEU 75 5.230 -15.210 -15.066 567 HB3 LEU 75 2HB LEU 75 6.909 -15.153 -14.565 568 HG LEU 75 HG LEU 75 6.680 -17.165 -15.749 569 HD11 LEU 75 1HD1 LEU 75 7.739 -17.237 -13.374 570 HD12 LEU 75 2HD1 LEU 75 6.321 -18.232 -12.963 571 HD13 LEU 75 3HD1 LEU 75 7.434 -18.757 -14.249 572 HD21 LEU 75 1HD2 LEU 75 4.043 -17.037 -15.320 573 HD22 LEU 75 2HD2 LEU 75 4.865 -18.521 -15.858 574 HD23 LEU 75 3HD2 LEU 75 4.452 -18.305 -14.140 575 H GLU 76 H GLU 76 6.002 -12.899 -13.325 576 HA GLU 76 HA GLU 76 8.415 -12.544 -12.255 577 HB2 GLU 76 1HB GLU 76 5.990 -10.804 -12.516 578 HB3 GLU 76 2HB GLU 76 7.277 -10.197 -11.494 579 HG2 GLU 76 1HG GLU 76 7.594 -11.110 -14.393 580 HG3 GLU 76 2HG GLU 76 7.557 -9.444 -13.849 581 H ALA 77 H ALA 77 9.128 -11.503 -10.143 582 HA ALA 77 HA ALA 77 7.392 -12.030 -7.889 583 HB1 ALA 77 1HB ALA 77 9.917 -13.584 -8.495 584 HB2 ALA 77 2HB ALA 77 9.367 -13.339 -6.820 585 HB3 ALA 77 3HB ALA 77 8.324 -14.192 -7.983 586 H SER 78 H SER 78 8.928 -11.516 -5.785 587 HA SER 78 HA SER 78 10.088 -10.035 -4.695 588 HB2 SER 78 1HB SER 78 11.326 -9.094 -7.315 589 HB3 SER 78 2HB SER 78 11.972 -8.855 -5.703 590 HG SER 78 HG SER 78 12.594 -10.969 -5.572 591 H GLY 79 H GLY 79 10.328 -7.546 -4.387 592 HA2 GLY 79 1HA GLY 79 9.642 -5.377 -5.105 593 HA3 GLY 79 2HA GLY 79 8.280 -6.096 -5.941 594 H ARG 80 H ARG 80 7.983 -3.964 -4.070 595 HA ARG 80 HA ARG 80 6.238 -5.300 -2.236 596 HB2 ARG 80 1HB ARG 80 8.799 -4.107 -1.406 597 HB3 ARG 80 2HB ARG 80 7.452 -3.341 -0.588 598 HG2 ARG 80 1HG ARG 80 7.451 -5.106 0.841 599 HG3 ARG 80 2HG ARG 80 6.793 -6.065 -0.470 600 HD2 ARG 80 1HD ARG 80 9.110 -6.648 -1.215 601 HD3 ARG 80 2HD ARG 80 9.776 -5.677 0.082 602 HE ARG 80 HE ARG 80 8.074 -7.402 1.417 603 HH11 ARG 80 2HH2 ARG 80 10.695 -7.873 -0.883 604 HH12 ARG 80 1HH2 ARG 80 11.140 -9.424 -0.253 605 HH21 ARG 80 2HH1 ARG 80 8.661 -9.448 2.249 606 HH22 ARG 80 1HH1 ARG 80 9.975 -10.326 1.540 607 H ILE 81 H ILE 81 4.329 -4.129 -2.128 608 HA ILE 81 HA ILE 81 4.358 -1.487 -3.339 609 HB ILE 81 HB ILE 81 2.243 -3.520 -2.708 610 HG12 ILE 81 1HG1 ILE 81 3.163 -2.139 -5.245 611 HG13 ILE 81 2HG1 ILE 81 3.448 -3.808 -4.794 612 HG21 ILE 81 1HG2 ILE 81 1.783 -0.623 -3.467 613 HG22 ILE 81 2HG2 ILE 81 0.549 -1.905 -3.510 614 HG23 ILE 81 3HG2 ILE 81 1.287 -1.431 -1.961 615 HD11 ILE 81 1HD1 ILE 81 1.032 -2.562 -5.948 616 HD12 ILE 81 2HD1 ILE 81 1.544 -4.266 -5.957 617 HD13 ILE 81 3HD1 ILE 81 0.682 -3.604 -4.547 618 H TYR 82 H TYR 82 3.130 0.305 -2.291 619 HA TYR 82 HA TYR 82 2.939 0.042 0.609 620 HB2 TYR 82 1HB TYR 82 4.466 2.192 -0.990 621 HB3 TYR 82 2HB TYR 82 4.283 2.198 0.753 622 HD1 TYR 82 1HD TYR 82 5.918 0.492 -2.094 623 HD2 TYR 82 2HD TYR 82 5.667 0.817 2.165 624 HE1 TYR 82 1HE TYR 82 8.057 -0.861 -1.857 625 HE2 TYR 82 2HE TYR 82 7.807 -0.538 2.387 626 HH TYR 82 HH TYR 82 9.868 -1.086 -0.188 627 H VAL 83 H VAL 83 2.149 2.381 1.468 628 HA VAL 83 HA VAL 83 0.177 3.386 -0.456 629 HB VAL 83 HB VAL 83 -0.799 1.722 1.134 630 HG11 VAL 83 1HG1 VAL 83 0.765 2.871 3.037 631 HG12 VAL 83 2HG1 VAL 83 -0.788 3.680 3.359 632 HG13 VAL 83 3HG1 VAL 83 -0.687 1.903 3.388 633 HG21 VAL 83 1HG2 VAL 83 -2.018 4.386 1.780 634 HG22 VAL 83 2HG2 VAL 83 -1.938 3.860 0.081 635 HG23 VAL 83 3HG2 VAL 83 -2.795 2.864 1.282 636 H TYR 84 H TYR 84 -0.031 5.607 -0.497 637 HA TYR 84 HA TYR 84 1.485 7.059 1.566 638 HB2 TYR 84 1HB TYR 84 1.217 7.314 -1.483 639 HB3 TYR 84 2HB TYR 84 1.766 8.676 -0.527 640 HD1 TYR 84 1HD TYR 84 2.549 5.000 -0.715 641 HD2 TYR 84 2HD TYR 84 4.054 9.001 -0.539 642 HE1 TYR 84 1HE TYR 84 4.931 4.116 -0.812 643 HE2 TYR 84 2HE TYR 84 6.431 8.103 -0.637 644 HH TYR 84 HH TYR 84 7.288 5.194 0.100 645 H ARG 85 H ARG 85 0.696 9.207 2.085 646 HA ARG 85 HA ARG 85 -2.152 9.294 1.818 647 HB2 ARG 85 1HB ARG 85 -0.577 9.871 3.919 648 HB3 ARG 85 2HB ARG 85 -0.548 11.464 3.189 649 HG2 ARG 85 1HG ARG 85 -3.274 10.349 3.261 650 HG3 ARG 85 2HG ARG 85 -2.564 10.428 4.861 651 HD2 ARG 85 1HD ARG 85 -2.219 12.798 4.724 652 HD3 ARG 85 2HD ARG 85 -2.404 12.814 2.981 653 HE ARG 85 HE ARG 85 -4.842 11.827 3.962 654 HH11 ARG 85 2HH2 ARG 85 -2.954 14.772 4.344 655 HH12 ARG 85 1HH2 ARG 85 -4.338 15.774 4.628 656 HH21 ARG 85 2HH1 ARG 85 -6.668 13.148 4.337 657 HH22 ARG 85 1HH1 ARG 85 -6.465 14.844 4.624 658 H LYS 86 H LYS 86 -3.326 11.173 0.964 659 HA LYS 86 HA LYS 86 -1.764 12.564 -1.074 660 HB2 LYS 86 1HB LYS 86 -4.659 11.810 -0.784 661 HB3 LYS 86 2HB LYS 86 -4.213 13.151 -1.820 662 HG2 LYS 86 1HG LYS 86 -2.405 11.437 -2.769 663 HG3 LYS 86 2HG LYS 86 -3.471 10.228 -2.082 664 HD2 LYS 86 1HD LYS 86 -4.703 10.381 -3.983 665 HD3 LYS 86 2HD LYS 86 -5.241 11.949 -3.416 666 HE2 LYS 86 1HE LYS 86 -2.830 12.672 -4.479 667 HE3 LYS 86 2HE LYS 86 -3.176 11.282 -5.488 668 HZ1 LYS 86 1HZ LYS 86 -5.330 13.164 -5.063 669 HZ2 LYS 86 2HZ LYS 86 -4.104 13.646 -6.028 670 HZ3 LYS 86 3HZ LYS 86 -4.952 12.299 -6.396 671 H ASP 87 H ASP 87 -1.530 14.785 -1.109 672 HA ASP 87 HA ASP 87 -2.601 16.107 1.254 673 HB2 ASP 87 1HB ASP 87 -0.757 17.764 0.892 674 HB3 ASP 87 2HB ASP 87 -0.161 16.140 1.169 675 H LEU 88 H LEU 88 -2.264 18.802 0.430 676 HA LEU 88 HA LEU 88 -4.521 19.208 -1.155 677 HB2 LEU 88 1HB LEU 88 -2.258 21.084 -0.457 678 HB3 LEU 88 2HB LEU 88 -3.790 21.567 -1.156 679 HG LEU 88 HG LEU 88 -4.863 20.455 0.925 680 HD11 LEU 88 1HD1 LEU 88 -3.283 19.286 2.070 681 HD12 LEU 88 2HD1 LEU 88 -1.967 20.398 1.624 682 HD13 LEU 88 3HD1 LEU 88 -3.121 20.852 2.900 683 HD21 LEU 88 1HD2 LEU 88 -5.136 22.748 0.753 684 HD22 LEU 88 2HD2 LEU 88 -4.272 22.578 2.300 685 HD23 LEU 88 3HD2 LEU 88 -3.387 23.071 0.836 686 H ALA 89 H ALA 89 -1.283 18.319 -1.983 687 HA ALA 89 HA ALA 89 -1.800 19.133 -4.762 688 HB1 ALA 89 1HB ALA 89 0.970 18.484 -4.210 689 HB2 ALA 89 2HB ALA 89 0.269 20.007 -4.806 690 HB3 ALA 89 3HB ALA 89 0.388 19.708 -3.056 691 H ASP 90 H ASP 90 -0.423 17.580 -6.303 692 HA ASP 90 HA ASP 90 -1.444 14.982 -5.707 693 HB2 ASP 90 1HB ASP 90 -0.121 16.321 -8.076 694 HB3 ASP 90 2HB ASP 90 -0.184 14.570 -8.031 695 H THR 91 H THR 91 0.460 15.518 -3.785 696 HA THR 91 HA THR 91 2.906 14.184 -4.745 697 HB THR 91 HB THR 91 2.761 15.728 -2.154 698 HG1 THR 91 1HG THR 91 2.857 17.677 -3.428 699 HG21 THR 91 1HG2 THR 91 4.766 15.274 -4.404 700 HG22 THR 91 2HG2 THR 91 4.961 16.630 -3.267 701 HG23 THR 91 3HG2 THR 91 4.969 14.955 -2.665 702 H LEU 92 H LEU 92 4.009 12.785 -3.084 703 HA LEU 92 HA LEU 92 2.123 11.575 -1.228 704 HB2 LEU 92 1HB LEU 92 3.445 10.145 -3.526 705 HB3 LEU 92 2HB LEU 92 2.897 9.302 -2.090 706 HG LEU 92 HG LEU 92 1.184 10.875 -4.032 707 HD11 LEU 92 1HD1 LEU 92 2.037 8.127 -3.930 708 HD12 LEU 92 2HD1 LEU 92 0.270 8.227 -3.738 709 HD13 LEU 92 3HD1 LEU 92 1.056 8.967 -5.154 710 HD21 LEU 92 1HD2 LEU 92 -0.495 9.428 -2.339 711 HD22 LEU 92 2HD2 LEU 92 0.703 10.177 -1.256 712 HD23 LEU 92 3HD2 LEU 92 -0.251 11.191 -2.364 713 H ASN 93 H ASN 93 3.090 11.096 0.691 714 HA ASN 93 HA ASN 93 6.002 10.995 0.632 715 HB2 ASN 93 1HB ASN 93 4.142 12.454 2.561 716 HB3 ASN 93 2HB ASN 93 5.773 12.026 3.038 717 HD21 ASN 93 1HD2 ASN 93 3.845 13.744 0.634 718 HD22 ASN 93 2HD2 ASN 93 5.032 14.922 0.179 719 HA PRO 94 HA PRO 94 5.308 7.360 2.989 720 HB2 PRO 94 1HB PRO 94 7.748 7.009 4.168 721 HB3 PRO 94 2HB PRO 94 7.409 6.547 2.512 722 HG2 PRO 94 1HG PRO 94 8.946 8.866 3.512 723 HG3 PRO 94 2HG PRO 94 8.950 8.155 1.910 724 HD2 PRO 94 1HD PRO 94 7.633 10.574 2.711 725 HD3 PRO 94 2HD PRO 94 7.542 9.802 1.141 726 H PHE 95 H PHE 95 4.241 6.793 4.792 727 HA PHE 95 HA PHE 95 3.892 8.780 6.729 728 HB2 PHE 95 1HB PHE 95 3.265 5.852 6.276 729 HB3 PHE 95 2HB PHE 95 3.100 6.424 7.924 730 HD1 PHE 95 1HD PHE 95 1.737 8.724 8.117 731 HD2 PHE 95 2HD PHE 95 1.398 5.941 4.932 732 HE1 PHE 95 1HE PHE 95 -0.546 9.617 7.579 733 HE2 PHE 95 2HE PHE 95 -0.885 6.834 4.394 734 HZ PHE 95 HZ PHE 95 -1.830 8.662 5.724 735 H ALA 96 H ALA 96 4.280 8.432 9.143 736 HA ALA 96 HA ALA 96 5.795 8.401 10.767 737 HB1 ALA 96 1HB ALA 96 6.824 5.737 9.864 738 HB2 ALA 96 2HB ALA 96 6.277 6.264 11.474 739 HB3 ALA 96 3HB ALA 96 5.084 5.873 10.212 740 H GLU 97 H GLU 97 7.018 10.172 9.768 741 HA GLU 97 HA GLU 97 8.940 9.954 7.917 742 HB2 GLU 97 1HB GLU 97 8.259 11.801 10.054 743 HB3 GLU 97 2HB GLU 97 10.002 11.703 9.905 744 HG2 GLU 97 1HG GLU 97 9.753 12.078 7.404 745 HG3 GLU 97 2HG GLU 97 8.035 12.315 7.650 746 H ASN 98 H ASN 98 11.055 9.200 7.751 747 HA ASN 98 HA ASN 98 12.121 8.032 10.201 748 HB2 ASN 98 1HB ASN 98 12.024 6.967 7.356 749 HB3 ASN 98 2HB ASN 98 13.329 6.461 8.412 750 HD21 ASN 98 1HD2 ASN 98 12.977 5.062 10.046 751 HD22 ASN 98 2HD2 ASN 98 11.470 4.275 10.374 752 H SER 99 H SER 99 14.520 8.120 10.357 753 HA SER 99 HA SER 99 15.556 10.337 8.821 754 HB2 SER 99 1HB SER 99 15.874 10.572 11.190 755 HB3 SER 99 2HB SER 99 16.456 8.927 11.358 756 HG SER 99 HG SER 99 18.398 9.481 10.303 757 H GLY 100 H GLY 100 16.598 7.023 9.920 758 HA2 GLY 100 1HA GLY 100 17.914 6.652 7.320 759 HA3 GLY 100 2HA GLY 100 18.865 6.482 8.782 760 HA PRO 101 HA PRO 101 16.350 2.643 7.865 761 HB2 PRO 101 1HB PRO 101 17.944 1.208 6.172 762 HB3 PRO 101 2HB PRO 101 16.583 2.166 5.624 763 HG2 PRO 101 1HG PRO 101 19.471 2.759 5.411 764 HG3 PRO 101 2HG PRO 101 18.137 3.464 4.520 765 HD2 PRO 101 1HD PRO 101 19.570 4.662 6.696 766 HD3 PRO 101 2HD PRO 101 18.163 5.316 5.881 767 H SER 102 H SER 102 17.001 0.232 8.258 768 HA SER 102 HA SER 102 19.422 0.187 9.814 769 HB2 SER 102 1HB SER 102 17.876 0.839 11.537 770 HB3 SER 102 2HB SER 102 16.652 -0.282 10.974 771 HG SER 102 HG SER 102 19.147 -0.892 12.296 772 H SER 103 H SER 103 19.797 -1.140 7.752 773 HA SER 103 HA SER 103 18.338 -3.455 7.305 774 HB2 SER 103 1HB SER 103 20.087 -4.043 5.748 775 HB3 SER 103 2HB SER 103 19.888 -2.303 5.675 776 HG SER 103 HG SER 103 21.922 -2.067 6.279 777 H GLY 104 H GLY 104 18.993 -5.732 7.667 778 HA2 GLY 104 1HA GLY 104 20.501 -6.015 10.187 779 HA3 GLY 104 2HA GLY 104 19.242 -7.088 9.609 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -24.993 -13.459 5.913 2 HA2 GLY 1 1HA GLY 1 -24.596 -14.945 7.781 3 HA3 GLY 1 2HA GLY 1 -24.043 -16.163 6.648 4 H SER 2 H SER 2 -21.917 -16.112 5.833 5 HA SER 2 HA SER 2 -20.332 -13.835 6.714 6 HB2 SER 2 1HB SER 2 -20.088 -16.634 7.538 7 HB3 SER 2 2HB SER 2 -18.612 -16.081 6.774 8 HG SER 2 HG SER 2 -18.977 -14.093 8.282 9 H SER 3 H SER 3 -19.061 -12.987 5.081 10 HA SER 3 HA SER 3 -19.120 -14.421 2.582 11 HB2 SER 3 1HB SER 3 -18.145 -12.247 1.686 12 HB3 SER 3 2HB SER 3 -19.739 -12.111 2.402 13 HG SER 3 HG SER 3 -17.246 -11.113 3.320 14 H GLY 4 H GLY 4 -17.261 -15.206 1.513 15 HA2 GLY 4 1HA GLY 4 -14.735 -14.740 1.496 16 HA3 GLY 4 2HA GLY 4 -14.824 -15.264 3.166 17 H SER 5 H SER 5 -14.372 -16.277 -0.053 18 HA SER 5 HA SER 5 -14.754 -19.029 0.808 19 HB2 SER 5 1HB SER 5 -15.677 -19.656 -1.346 20 HB3 SER 5 2HB SER 5 -16.627 -18.326 -0.715 21 HG SER 5 HG SER 5 -15.504 -16.869 -2.110 22 H SER 6 H SER 6 -13.291 -20.578 -0.294 23 HA SER 6 HA SER 6 -10.794 -19.316 -0.845 24 HB2 SER 6 1HB SER 6 -10.022 -21.752 -1.069 25 HB3 SER 6 2HB SER 6 -10.657 -21.282 0.495 26 HG SER 6 HG SER 6 -12.215 -22.729 0.289 27 H GLY 7 H GLY 7 -9.446 -20.344 -2.787 28 HA2 GLY 7 1HA GLY 7 -10.206 -21.492 -5.010 29 HA3 GLY 7 2HA GLY 7 -11.101 -19.994 -5.181 30 H GLU 8 H GLU 8 -9.734 -17.897 -4.770 31 HA GLU 8 HA GLU 8 -7.268 -18.291 -6.249 32 HB2 GLU 8 1HB GLU 8 -7.496 -15.685 -6.453 33 HB3 GLU 8 2HB GLU 8 -8.548 -16.710 -7.409 34 HG2 GLU 8 1HG GLU 8 -9.493 -15.922 -4.657 35 HG3 GLU 8 2HG GLU 8 -9.509 -14.690 -5.903 36 H GLU 9 H GLU 9 -6.756 -19.174 -3.813 37 HA GLU 9 HA GLU 9 -6.379 -17.495 -1.745 38 HB2 GLU 9 1HB GLU 9 -4.961 -19.968 -2.707 39 HB3 GLU 9 2HB GLU 9 -4.232 -19.081 -1.383 40 HG2 GLU 9 1HG GLU 9 -5.968 -19.554 0.088 41 HG3 GLU 9 2HG GLU 9 -7.184 -19.567 -1.174 42 H ILE 10 H ILE 10 -5.362 -15.546 -1.606 43 HA ILE 10 HA ILE 10 -2.658 -15.245 -2.221 44 HB ILE 10 HB ILE 10 -3.746 -15.358 -4.546 45 HG12 ILE 10 1HG1 ILE 10 -2.210 -12.845 -4.447 46 HG13 ILE 10 2HG1 ILE 10 -1.467 -14.169 -3.571 47 HG21 ILE 10 1HG2 ILE 10 -5.291 -13.880 -5.130 48 HG22 ILE 10 2HG2 ILE 10 -5.295 -13.267 -3.459 49 HG23 ILE 10 3HG2 ILE 10 -4.229 -12.526 -4.677 50 HD11 ILE 10 1HD1 ILE 10 -1.485 -15.599 -5.529 51 HD12 ILE 10 2HD1 ILE 10 -2.510 -14.451 -6.423 52 HD13 ILE 10 3HD1 ILE 10 -0.828 -14.023 -6.031 53 H PHE 11 H PHE 11 -1.868 -13.150 -1.541 54 HA PHE 11 HA PHE 11 -3.936 -11.491 -0.294 55 HB2 PHE 11 1HB PHE 11 -1.624 -13.019 0.826 56 HB3 PHE 11 2HB PHE 11 -1.610 -11.333 1.306 57 HD1 PHE 11 2HD PHE 11 -3.651 -14.419 1.362 58 HD2 PHE 11 1HD PHE 11 -3.089 -10.531 2.966 59 HE1 PHE 11 2HE PHE 11 -5.329 -14.919 3.161 60 HE2 PHE 11 1HE PHE 11 -4.767 -11.030 4.765 61 HZ PHE 11 HZ PHE 11 -5.866 -13.218 4.841 62 H CYS 12 H CYS 12 -3.091 -9.253 0.268 63 HA CYS 12 HA CYS 12 -0.974 -8.500 -1.612 64 HB2 CYS 12 1HB CYS 12 -3.152 -7.817 -2.513 65 HB3 CYS 12 2HB CYS 12 -3.529 -6.967 -1.027 66 HG CYS 12 HG CYS 12 -0.719 -6.448 -2.667 67 H HIS 13 H HIS 13 0.745 -8.151 -0.208 68 HA HIS 13 HA HIS 13 0.193 -6.940 2.358 69 HB2 HIS 13 1HB HIS 13 2.464 -8.412 1.107 70 HB3 HIS 13 2HB HIS 13 2.859 -7.253 2.360 71 HD1 HIS 13 1HD HIS 13 2.184 -10.712 2.012 72 HD2 HIS 13 2HD HIS 13 0.962 -7.790 4.763 73 HE1 HIS 13 1HE HIS 13 1.423 -11.968 4.099 74 H VAL 14 H VAL 14 -0.072 -4.759 2.375 75 HA VAL 14 HA VAL 14 1.586 -3.202 0.529 76 HB VAL 14 HB VAL 14 -0.049 -1.561 0.581 77 HG11 VAL 14 1HG1 VAL 14 -0.892 -3.403 -0.681 78 HG12 VAL 14 2HG1 VAL 14 -1.415 -4.259 0.789 79 HG13 VAL 14 3HG1 VAL 14 -2.250 -2.771 0.281 80 HG21 VAL 14 1HG2 VAL 14 -2.005 -1.738 2.283 81 HG22 VAL 14 2HG2 VAL 14 -0.895 -2.780 3.206 82 HG23 VAL 14 3HG2 VAL 14 -0.437 -1.101 2.836 83 H TYR 15 H TYR 15 3.266 -2.017 1.296 84 HA TYR 15 HA TYR 15 3.584 -1.933 4.198 85 HB2 TYR 15 1HB TYR 15 5.292 -1.568 1.678 86 HB3 TYR 15 2HB TYR 15 5.915 -1.036 3.227 87 HD1 TYR 15 2HD TYR 15 3.803 -4.054 2.784 88 HD2 TYR 15 1HD TYR 15 7.769 -2.549 3.347 89 HE1 TYR 15 2HE TYR 15 4.636 -6.408 3.262 90 HE2 TYR 15 1HE TYR 15 8.588 -4.909 3.822 91 HH TYR 15 HH TYR 15 7.215 -7.500 2.956 92 H ILE 16 H ILE 16 3.009 -0.127 5.292 93 HA ILE 16 HA ILE 16 2.349 2.251 3.889 94 HB ILE 16 HB ILE 16 2.689 1.858 6.860 95 HG12 ILE 16 1HG1 ILE 16 -0.033 1.625 5.834 96 HG13 ILE 16 2HG1 ILE 16 1.011 0.368 5.202 97 HG21 ILE 16 1HG2 ILE 16 2.350 4.186 5.672 98 HG22 ILE 16 2HG2 ILE 16 0.656 3.647 5.589 99 HG23 ILE 16 3HG2 ILE 16 1.472 3.775 7.165 100 HD11 ILE 16 1HD1 ILE 16 0.107 -0.461 7.279 101 HD12 ILE 16 2HD1 ILE 16 1.809 -0.048 7.598 102 HD13 ILE 16 3HD1 ILE 16 0.512 1.050 8.129 103 H THR 17 H THR 17 4.874 1.533 6.410 104 HA THR 17 HA THR 17 6.461 3.700 5.198 105 HB THR 17 HB THR 17 7.223 4.209 7.403 106 HG1 THR 17 1HG THR 17 6.175 1.511 7.864 107 HG21 THR 17 1HG2 THR 17 4.431 3.055 7.907 108 HG22 THR 17 2HG2 THR 17 5.251 4.311 8.865 109 HG23 THR 17 3HG2 THR 17 4.722 4.663 7.202 110 H GLU 18 H GLU 18 8.599 2.482 7.196 111 HA GLU 18 HA GLU 18 9.697 0.819 5.117 112 HB2 GLU 18 1HB GLU 18 10.830 2.740 6.689 113 HB3 GLU 18 2HB GLU 18 11.226 1.321 7.638 114 HG2 GLU 18 1HG GLU 18 12.871 0.755 6.186 115 HG3 GLU 18 2HG GLU 18 11.728 0.705 4.858 116 H HIS 19 H HIS 19 8.518 0.654 8.492 117 HA HIS 19 HA HIS 19 8.791 -2.255 8.300 118 HB2 HIS 19 1HB HIS 19 9.025 -0.746 10.902 119 HB3 HIS 19 2HB HIS 19 9.424 -2.420 10.574 120 HD1 HIS 19 1HD HIS 19 11.637 -2.852 9.104 121 HD2 HIS 19 2HD HIS 19 11.079 1.075 10.471 122 HE1 HIS 19 1HE HIS 19 13.889 -1.680 8.851 123 H SER 20 H SER 20 6.560 -0.621 7.428 124 HA SER 20 HA SER 20 4.611 -1.668 9.300 125 HB2 SER 20 1HB SER 20 4.042 1.010 8.050 126 HB3 SER 20 2HB SER 20 3.432 0.334 9.547 127 HG SER 20 HG SER 20 5.085 2.112 9.716 128 H TYR 21 H TYR 21 2.878 -2.667 8.255 129 HA TYR 21 HA TYR 21 2.169 -1.937 5.579 130 HB2 TYR 21 1HB TYR 21 2.911 -4.032 4.570 131 HB3 TYR 21 2HB TYR 21 4.284 -3.478 5.507 132 HD1 TYR 21 2HD TYR 21 1.565 -5.958 5.321 133 HD2 TYR 21 1HD TYR 21 5.004 -4.660 7.510 134 HE1 TYR 21 2HE TYR 21 1.602 -8.164 6.584 135 HE2 TYR 21 1HE TYR 21 5.029 -6.871 8.766 136 HH TYR 21 HH TYR 21 2.845 -8.684 9.262 137 H VAL 22 H VAL 22 0.439 -3.600 4.735 138 HA VAL 22 HA VAL 22 -0.932 -4.957 6.890 139 HB VAL 22 HB VAL 22 -1.887 -2.854 7.242 140 HG11 VAL 22 1HG1 VAL 22 -2.463 -1.250 5.632 141 HG12 VAL 22 2HG1 VAL 22 -0.942 -1.941 5.018 142 HG13 VAL 22 3HG1 VAL 22 -2.497 -2.445 4.313 143 HG21 VAL 22 1HG2 VAL 22 -4.231 -3.079 6.127 144 HG22 VAL 22 2HG2 VAL 22 -3.595 -4.616 5.494 145 HG23 VAL 22 3HG2 VAL 22 -3.677 -4.343 7.251 146 H SER 23 H SER 23 -1.717 -6.857 6.123 147 HA SER 23 HA SER 23 -1.521 -7.275 3.301 148 HB2 SER 23 1HB SER 23 -1.470 -9.531 3.804 149 HB3 SER 23 2HB SER 23 -0.931 -8.891 5.343 150 HG SER 23 HG SER 23 -3.343 -8.896 5.904 151 H VAL 24 H VAL 24 -3.338 -8.236 2.020 152 HA VAL 24 HA VAL 24 -5.981 -7.876 3.154 153 HB VAL 24 HB VAL 24 -4.972 -6.330 0.759 154 HG11 VAL 24 1HG1 VAL 24 -7.752 -5.992 1.802 155 HG12 VAL 24 2HG1 VAL 24 -7.113 -5.792 0.153 156 HG13 VAL 24 3HG1 VAL 24 -7.406 -7.423 0.802 157 HG21 VAL 24 1HG2 VAL 24 -5.723 -5.590 3.573 158 HG22 VAL 24 2HG2 VAL 24 -4.352 -5.042 2.578 159 HG23 VAL 24 3HG2 VAL 24 -5.990 -4.424 2.255 160 H LYS 25 H LYS 25 -7.343 -9.456 2.424 161 HA LYS 25 HA LYS 25 -6.257 -11.464 0.750 162 HB2 LYS 25 1HB LYS 25 -7.867 -11.779 2.675 163 HB3 LYS 25 2HB LYS 25 -9.131 -11.133 1.648 164 HG2 LYS 25 1HG LYS 25 -8.689 -12.922 -0.037 165 HG3 LYS 25 2HG LYS 25 -7.403 -13.561 0.968 166 HD2 LYS 25 1HD LYS 25 -9.398 -13.559 2.813 167 HD3 LYS 25 2HD LYS 25 -10.379 -13.701 1.368 168 HE2 LYS 25 1HE LYS 25 -8.350 -15.543 0.868 169 HE3 LYS 25 2HE LYS 25 -8.545 -15.682 2.604 170 HZ1 LYS 25 1HZ LYS 25 -10.271 -16.944 2.113 171 HZ2 LYS 25 2HZ LYS 25 -11.076 -15.593 1.669 172 HZ3 LYS 25 3HZ LYS 25 -10.307 -16.493 0.543 173 H ALA 26 H ALA 26 -5.783 -10.843 -1.332 174 HA ALA 26 HA ALA 26 -7.898 -9.450 -2.799 175 HB1 ALA 26 1HB ALA 26 -5.096 -9.974 -3.802 176 HB2 ALA 26 2HB ALA 26 -6.208 -8.644 -4.209 177 HB3 ALA 26 3HB ALA 26 -5.404 -8.678 -2.621 178 H LYS 27 H LYS 27 -7.645 -10.189 -5.344 179 HA LYS 27 HA LYS 27 -7.987 -13.105 -5.251 180 HB2 LYS 27 1HB LYS 27 -9.289 -11.235 -7.238 181 HB3 LYS 27 2HB LYS 27 -9.676 -12.912 -6.912 182 HG2 LYS 27 1HG LYS 27 -9.972 -10.659 -4.869 183 HG3 LYS 27 2HG LYS 27 -11.285 -11.267 -5.858 184 HD2 LYS 27 1HD LYS 27 -11.505 -13.200 -4.627 185 HD3 LYS 27 2HD LYS 27 -9.776 -13.385 -4.410 186 HE2 LYS 27 1HE LYS 27 -10.661 -12.913 -2.225 187 HE3 LYS 27 2HE LYS 27 -9.868 -11.439 -2.744 188 HZ1 LYS 27 1HZ LYS 27 -12.506 -11.411 -3.640 189 HZ2 LYS 27 2HZ LYS 27 -12.512 -11.767 -2.046 190 HZ3 LYS 27 3HZ LYS 27 -11.785 -10.404 -2.576 191 H VAL 28 H VAL 28 -7.752 -13.975 -7.707 192 HA VAL 28 HA VAL 28 -5.013 -13.449 -8.330 193 HB VAL 28 HB VAL 28 -6.192 -15.676 -8.367 194 HG11 VAL 28 1HG1 VAL 28 -7.854 -14.285 -10.258 195 HG12 VAL 28 2HG1 VAL 28 -7.079 -15.671 -11.062 196 HG13 VAL 28 3HG1 VAL 28 -8.042 -15.923 -9.586 197 HG21 VAL 28 1HG2 VAL 28 -4.922 -16.509 -10.284 198 HG22 VAL 28 2HG2 VAL 28 -4.756 -14.853 -10.915 199 HG23 VAL 28 3HG2 VAL 28 -3.973 -15.303 -9.381 200 H SER 29 H SER 29 -7.893 -11.833 -9.008 201 HA SER 29 HA SER 29 -6.586 -10.474 -11.177 202 HB2 SER 29 1HB SER 29 -7.972 -12.262 -12.265 203 HB3 SER 29 2HB SER 29 -9.400 -11.612 -11.485 204 HG SER 29 HG SER 29 -9.069 -10.861 -13.718 205 H SER 30 H SER 30 -6.978 -9.677 -8.490 206 HA SER 30 HA SER 30 -9.327 -7.988 -8.575 207 HB2 SER 30 1HB SER 30 -8.922 -9.331 -6.531 208 HB3 SER 30 2HB SER 30 -7.354 -8.577 -6.324 209 HG SER 30 HG SER 30 -8.316 -6.608 -5.824 210 H ILE 31 H ILE 31 -9.122 -5.647 -8.046 211 HA ILE 31 HA ILE 31 -6.690 -4.583 -9.222 212 HB ILE 31 HB ILE 31 -8.012 -2.440 -9.140 213 HG12 ILE 31 1HG1 ILE 31 -10.396 -4.208 -8.577 214 HG13 ILE 31 2HG1 ILE 31 -9.557 -3.352 -7.299 215 HG21 ILE 31 1HG2 ILE 31 -7.944 -4.461 -10.976 216 HG22 ILE 31 2HG2 ILE 31 -9.694 -4.255 -10.731 217 HG23 ILE 31 3HG2 ILE 31 -8.696 -2.868 -11.230 218 HD11 ILE 31 1HD1 ILE 31 -9.841 -1.285 -9.020 219 HD12 ILE 31 2HD1 ILE 31 -11.234 -2.266 -9.537 220 HD13 ILE 31 3HD1 ILE 31 -11.105 -1.723 -7.846 221 H ALA 32 H ALA 32 -5.814 -2.489 -8.170 222 HA ALA 32 HA ALA 32 -4.973 -3.169 -5.567 223 HB1 ALA 32 1HB ALA 32 -3.711 -1.857 -7.340 224 HB2 ALA 32 2HB ALA 32 -4.767 -0.474 -6.960 225 HB3 ALA 32 3HB ALA 32 -3.690 -1.141 -5.710 226 H GLN 33 H GLN 33 -7.433 -0.918 -6.918 227 HA GLN 33 HA GLN 33 -7.983 0.530 -4.703 228 HB2 GLN 33 1HB GLN 33 -9.041 1.061 -6.799 229 HB3 GLN 33 2HB GLN 33 -9.803 -0.514 -6.904 230 HG2 GLN 33 1HG GLN 33 -11.627 0.546 -6.018 231 HG3 GLN 33 2HG GLN 33 -10.796 0.347 -4.488 232 HE21 GLN 33 1HE2 GLN 33 -9.491 2.057 -3.675 233 HE22 GLN 33 2HE2 GLN 33 -9.807 3.709 -4.091 234 H GLU 34 H GLU 34 -9.054 -2.801 -5.530 235 HA GLU 34 HA GLU 34 -10.910 -3.043 -3.491 236 HB2 GLU 34 1HB GLU 34 -9.260 -5.045 -5.065 237 HB3 GLU 34 2HB GLU 34 -10.356 -5.580 -3.807 238 HG2 GLU 34 1HG GLU 34 -12.239 -4.373 -4.950 239 HG3 GLU 34 2HG GLU 34 -11.138 -3.871 -6.217 240 H ILE 35 H ILE 35 -7.516 -2.660 -3.342 241 HA ILE 35 HA ILE 35 -7.359 -4.078 -0.785 242 HB ILE 35 HB ILE 35 -5.143 -2.965 -2.508 243 HG12 ILE 35 1HG1 ILE 35 -6.254 -4.704 -3.746 244 HG13 ILE 35 2HG1 ILE 35 -4.726 -5.317 -3.148 245 HG21 ILE 35 1HG2 ILE 35 -3.739 -3.461 -0.862 246 HG22 ILE 35 2HG2 ILE 35 -5.148 -3.742 0.188 247 HG23 ILE 35 3HG2 ILE 35 -4.416 -5.100 -0.701 248 HD11 ILE 35 1HD1 ILE 35 -5.877 -6.446 -1.267 249 HD12 ILE 35 2HD1 ILE 35 -7.435 -5.787 -1.820 250 HD13 ILE 35 3HD1 ILE 35 -6.561 -6.966 -2.827 251 H LEU 36 H LEU 36 -6.689 -0.906 -2.393 252 HA LEU 36 HA LEU 36 -5.864 0.436 -0.115 253 HB2 LEU 36 1HB LEU 36 -5.625 1.191 -2.457 254 HB3 LEU 36 2HB LEU 36 -7.345 1.522 -2.515 255 HG LEU 36 HG LEU 36 -6.884 3.086 -0.483 256 HD11 LEU 36 1HD1 LEU 36 -4.798 3.468 0.183 257 HD12 LEU 36 2HD1 LEU 36 -4.304 2.080 -0.817 258 HD13 LEU 36 3HD1 LEU 36 -4.237 3.729 -1.486 259 HD21 LEU 36 1HD2 LEU 36 -5.993 4.863 -2.212 260 HD22 LEU 36 2HD2 LEU 36 -6.322 3.563 -3.383 261 HD23 LEU 36 3HD2 LEU 36 -7.633 4.183 -2.350 262 H LYS 37 H LYS 37 -9.156 -0.176 -1.445 263 HA LYS 37 HA LYS 37 -10.511 1.456 0.372 264 HB2 LYS 37 1HB LYS 37 -12.495 0.232 -0.335 265 HB3 LYS 37 2HB LYS 37 -11.493 0.643 -1.712 266 HG2 LYS 37 1HG LYS 37 -11.445 -1.547 -2.289 267 HG3 LYS 37 2HG LYS 37 -10.539 -1.887 -0.829 268 HD2 LYS 37 1HD LYS 37 -12.657 -2.169 0.446 269 HD3 LYS 37 2HD LYS 37 -13.589 -1.767 -0.982 270 HE2 LYS 37 1HE LYS 37 -11.616 -4.091 -0.946 271 HE3 LYS 37 2HE LYS 37 -13.287 -4.284 -0.454 272 HZ1 LYS 37 1HZ LYS 37 -13.156 -2.908 -2.892 273 HZ2 LYS 37 2HZ LYS 37 -12.309 -4.300 -3.008 274 HZ3 LYS 37 3HZ LYS 37 -13.879 -4.334 -2.559 275 H VAL 38 H VAL 38 -9.083 -1.778 0.628 276 HA VAL 38 HA VAL 38 -10.486 -2.340 3.083 277 HB VAL 38 HB VAL 38 -8.172 -3.797 1.796 278 HG11 VAL 38 1HG1 VAL 38 -9.407 -5.756 2.977 279 HG12 VAL 38 2HG1 VAL 38 -8.402 -4.659 3.953 280 HG13 VAL 38 3HG1 VAL 38 -10.173 -4.476 3.948 281 HG21 VAL 38 1HG2 VAL 38 -11.085 -4.504 1.413 282 HG22 VAL 38 2HG2 VAL 38 -10.238 -3.394 0.309 283 HG23 VAL 38 3HG2 VAL 38 -9.665 -5.068 0.500 284 H VAL 39 H VAL 39 -7.098 -1.596 2.024 285 HA VAL 39 HA VAL 39 -5.959 -1.638 4.544 286 HB VAL 39 HB VAL 39 -5.288 -0.004 2.089 287 HG11 VAL 39 1HG1 VAL 39 -2.910 -0.305 3.289 288 HG12 VAL 39 2HG1 VAL 39 -3.972 1.090 3.599 289 HG13 VAL 39 3HG1 VAL 39 -3.943 -0.278 4.738 290 HG21 VAL 39 1HG2 VAL 39 -3.822 -1.766 1.464 291 HG22 VAL 39 2HG2 VAL 39 -4.005 -2.579 3.037 292 HG23 VAL 39 3HG2 VAL 39 -5.368 -2.539 1.892 293 H ALA 40 H ALA 40 -7.360 1.153 2.688 294 HA ALA 40 HA ALA 40 -6.912 3.191 4.354 295 HB1 ALA 40 1HB ALA 40 -9.331 2.398 2.724 296 HB2 ALA 40 2HB ALA 40 -9.330 3.910 3.665 297 HB3 ALA 40 3HB ALA 40 -8.112 3.653 2.393 298 H GLU 41 H GLU 41 -9.336 0.565 4.819 299 HA GLU 41 HA GLU 41 -10.370 1.756 7.161 300 HB2 GLU 41 1HB GLU 41 -10.608 -1.177 6.402 301 HB3 GLU 41 2HB GLU 41 -11.735 -0.213 7.335 302 HG2 GLU 41 1HG GLU 41 -11.383 1.124 4.818 303 HG3 GLU 41 2HG GLU 41 -11.615 -0.576 4.461 304 H LYS 42 H LYS 42 -7.944 -0.797 6.408 305 HA LYS 42 HA LYS 42 -7.571 -1.697 9.016 306 HB2 LYS 42 1HB LYS 42 -6.330 -2.017 6.410 307 HB3 LYS 42 2HB LYS 42 -5.116 -1.936 7.671 308 HG2 LYS 42 1HG LYS 42 -5.912 -4.273 7.292 309 HG3 LYS 42 2HG LYS 42 -6.218 -3.735 8.932 310 HD2 LYS 42 1HD LYS 42 -8.247 -4.796 8.223 311 HD3 LYS 42 2HD LYS 42 -8.579 -3.077 8.169 312 HE2 LYS 42 1HE LYS 42 -7.682 -3.358 5.635 313 HE3 LYS 42 2HE LYS 42 -8.204 -5.012 5.890 314 HZ1 LYS 42 1HZ LYS 42 -10.323 -4.391 5.885 315 HZ2 LYS 42 2HZ LYS 42 -10.079 -3.051 6.787 316 HZ3 LYS 42 3HZ LYS 42 -9.808 -3.012 5.177 317 H ILE 43 H ILE 43 -6.440 1.196 7.294 318 HA ILE 43 HA ILE 43 -4.762 1.856 9.600 319 HB ILE 43 HB ILE 43 -3.471 3.136 8.236 320 HG12 ILE 43 1HG1 ILE 43 -5.748 3.431 6.256 321 HG13 ILE 43 2HG1 ILE 43 -5.339 4.601 7.495 322 HG21 ILE 43 1HG2 ILE 43 -2.981 1.918 6.216 323 HG22 ILE 43 2HG2 ILE 43 -3.417 0.766 7.500 324 HG23 ILE 43 3HG2 ILE 43 -4.595 1.166 6.227 325 HD11 ILE 43 1HD1 ILE 43 -2.879 4.279 6.348 326 HD12 ILE 43 2HD1 ILE 43 -3.927 3.962 4.944 327 HD13 ILE 43 3HD1 ILE 43 -4.054 5.507 5.819 328 H GLN 44 H GLN 44 -7.881 2.314 8.289 329 HA GLN 44 HA GLN 44 -9.544 3.589 8.857 330 HB2 GLN 44 1HB GLN 44 -7.868 4.823 11.077 331 HB3 GLN 44 2HB GLN 44 -9.614 4.689 11.009 332 HG2 GLN 44 1HG GLN 44 -9.281 2.125 10.941 333 HG3 GLN 44 2HG GLN 44 -7.600 2.424 11.338 334 HE21 GLN 44 1HE2 GLN 44 -7.157 3.760 13.255 335 HE22 GLN 44 2HE2 GLN 44 -8.172 3.601 14.649 336 H TYR 45 H TYR 45 -8.604 4.529 6.672 337 HA TYR 45 HA TYR 45 -8.396 7.418 7.085 338 HB2 TYR 45 1HB TYR 45 -6.380 5.511 6.148 339 HB3 TYR 45 2HB TYR 45 -6.848 6.512 4.787 340 HD1 TYR 45 2HD TYR 45 -5.304 6.516 8.139 341 HD2 TYR 45 1HD TYR 45 -6.276 8.868 4.699 342 HE1 TYR 45 2HE TYR 45 -3.761 8.364 8.957 343 HE2 TYR 45 1HE TYR 45 -4.730 10.708 5.530 344 HH TYR 45 HH TYR 45 -2.543 10.190 8.122 345 H ALA 46 H ALA 46 -8.017 7.981 4.270 346 HA ALA 46 HA ALA 46 -10.618 7.044 3.268 347 HB1 ALA 46 1HB ALA 46 -9.456 9.513 2.126 348 HB2 ALA 46 2HB ALA 46 -11.113 9.180 2.685 349 HB3 ALA 46 3HB ALA 46 -9.849 9.619 3.859 350 H GLU 47 H GLU 47 -10.153 5.347 1.919 351 HA GLU 47 HA GLU 47 -7.852 4.821 0.672 352 HB2 GLU 47 1HB GLU 47 -9.264 3.582 -1.041 353 HB3 GLU 47 2HB GLU 47 -9.636 3.215 0.631 354 HG2 GLU 47 1HG GLU 47 -11.532 4.853 0.565 355 HG3 GLU 47 2HG GLU 47 -11.163 5.209 -1.111 356 H GLU 48 H GLU 48 -10.480 7.001 -0.490 357 HA GLU 48 HA GLU 48 -9.427 7.449 -3.001 358 HB2 GLU 48 1HB GLU 48 -10.858 9.489 -2.993 359 HB3 GLU 48 2HB GLU 48 -11.715 8.079 -2.405 360 HG2 GLU 48 1HG GLU 48 -10.920 8.882 -0.020 361 HG3 GLU 48 2HG GLU 48 -10.622 10.418 -0.809 362 H ASP 49 H ASP 49 -8.597 8.765 0.195 363 HA ASP 49 HA ASP 49 -7.026 10.858 -0.957 364 HB2 ASP 49 1HB ASP 49 -7.328 9.835 1.906 365 HB3 ASP 49 2HB ASP 49 -6.355 11.227 1.473 366 H LEU 50 H LEU 50 -6.717 7.515 -0.513 367 HA LEU 50 HA LEU 50 -3.829 7.688 -0.031 368 HB2 LEU 50 1HB LEU 50 -5.748 5.379 0.305 369 HB3 LEU 50 2HB LEU 50 -4.012 5.281 0.524 370 HG LEU 50 HG LEU 50 -5.975 6.882 2.183 371 HD11 LEU 50 1HD1 LEU 50 -6.103 4.648 2.867 372 HD12 LEU 50 2HD1 LEU 50 -4.353 4.388 2.672 373 HD13 LEU 50 3HD1 LEU 50 -4.958 5.394 4.009 374 HD21 LEU 50 1HD2 LEU 50 -3.935 7.395 3.602 375 HD22 LEU 50 2HD2 LEU 50 -2.954 6.890 2.206 376 HD23 LEU 50 3HD2 LEU 50 -4.069 8.269 2.057 377 H ALA 51 H ALA 51 -2.788 5.528 -1.191 378 HA ALA 51 HA ALA 51 -3.880 4.942 -3.738 379 HB1 ALA 51 1HB ALA 51 -3.192 7.190 -4.307 380 HB2 ALA 51 2HB ALA 51 -1.594 6.942 -3.563 381 HB3 ALA 51 3HB ALA 51 -2.033 6.058 -5.044 382 H LEU 52 H LEU 52 -2.719 3.219 -4.747 383 HA LEU 52 HA LEU 52 -1.000 1.834 -2.893 384 HB2 LEU 52 1HB LEU 52 -2.176 1.090 -5.572 385 HB3 LEU 52 2HB LEU 52 -1.136 0.037 -4.634 386 HG LEU 52 HG LEU 52 -3.077 -0.784 -3.859 387 HD11 LEU 52 1HD1 LEU 52 -2.162 0.206 -1.862 388 HD12 LEU 52 2HD1 LEU 52 -2.943 1.764 -2.225 389 HD13 LEU 52 3HD1 LEU 52 -3.936 0.342 -1.822 390 HD21 LEU 52 1HD2 LEU 52 -4.256 0.815 -5.541 391 HD22 LEU 52 2HD2 LEU 52 -5.192 0.079 -4.218 392 HD23 LEU 52 3HD2 LEU 52 -4.645 1.768 -4.089 393 H VAL 53 H VAL 53 1.166 2.055 -2.853 394 HA VAL 53 HA VAL 53 2.422 3.173 -5.251 395 HB VAL 53 HB VAL 53 3.017 3.231 -2.316 396 HG11 VAL 53 1HG1 VAL 53 5.125 2.499 -3.134 397 HG12 VAL 53 2HG1 VAL 53 5.030 3.568 -4.555 398 HG13 VAL 53 3HG1 VAL 53 5.259 4.263 -2.932 399 HG21 VAL 53 1HG2 VAL 53 3.554 5.685 -3.117 400 HG22 VAL 53 2HG2 VAL 53 2.575 5.213 -4.526 401 HG23 VAL 53 3HG2 VAL 53 1.872 5.150 -2.892 402 H ALA 54 H ALA 54 4.482 2.255 -5.978 403 HA ALA 54 HA ALA 54 4.857 -0.518 -5.094 404 HB1 ALA 54 1HB ALA 54 5.049 0.378 -7.987 405 HB2 ALA 54 2HB ALA 54 4.984 -1.281 -7.344 406 HB3 ALA 54 3HB ALA 54 3.537 -0.245 -7.284 407 H ILE 55 H ILE 55 6.929 -0.915 -4.488 408 HA ILE 55 HA ILE 55 8.897 1.131 -5.167 409 HB ILE 55 HB ILE 55 9.063 -1.089 -3.129 410 HG12 ILE 55 1HG1 ILE 55 7.166 0.670 -2.870 411 HG13 ILE 55 2HG1 ILE 55 8.184 0.283 -1.497 412 HG21 ILE 55 1HG2 ILE 55 10.823 1.203 -3.900 413 HG22 ILE 55 2HG2 ILE 55 10.741 0.717 -2.190 414 HG23 ILE 55 3HG2 ILE 55 11.244 -0.460 -3.427 415 HD11 ILE 55 1HD1 ILE 55 9.330 2.318 -1.579 416 HD12 ILE 55 2HD1 ILE 55 9.047 2.525 -3.324 417 HD13 ILE 55 3HD1 ILE 55 7.726 2.816 -2.168 418 H THR 56 H THR 56 10.766 0.694 -6.329 419 HA THR 56 HA THR 56 10.721 -1.861 -7.748 420 HB THR 56 HB THR 56 10.770 0.287 -9.032 421 HG1 THR 56 1HG THR 56 11.984 -1.110 -10.251 422 HG21 THR 56 1HG2 THR 56 13.530 0.624 -7.746 423 HG22 THR 56 2HG2 THR 56 12.819 1.663 -9.004 424 HG23 THR 56 3HG2 THR 56 12.119 1.641 -7.367 425 H PHE 57 H PHE 57 12.929 -2.839 -8.268 426 HA PHE 57 HA PHE 57 14.099 -3.558 -5.821 427 HB2 PHE 57 1HB PHE 57 13.945 -4.920 -7.966 428 HB3 PHE 57 2HB PHE 57 15.039 -3.794 -8.743 429 HD1 PHE 57 2HD PHE 57 14.958 -5.855 -5.621 430 HD2 PHE 57 1HD PHE 57 17.222 -4.481 -8.937 431 HE1 PHE 57 2HE PHE 57 16.915 -7.226 -4.853 432 HE2 PHE 57 1HE PHE 57 19.179 -5.853 -8.170 433 HZ PHE 57 HZ PHE 57 19.002 -7.209 -6.137 434 H SER 58 H SER 58 14.526 -1.197 -5.125 435 HA SER 58 HA SER 58 17.251 -0.784 -5.194 436 HB2 SER 58 1HB SER 58 15.648 0.857 -7.169 437 HB3 SER 58 2HB SER 58 17.057 1.561 -6.401 438 HG SER 58 HG SER 58 17.863 0.619 -8.247 439 H GLY 59 H GLY 59 13.948 0.587 -4.907 440 HA2 GLY 59 1HA GLY 59 13.601 1.122 -2.420 441 HA3 GLY 59 2HA GLY 59 14.854 2.315 -2.699 442 H GLU 60 H GLU 60 14.110 2.989 -5.461 443 HA GLU 60 HA GLU 60 12.466 5.075 -5.027 444 HB2 GLU 60 1HB GLU 60 13.140 3.467 -7.494 445 HB3 GLU 60 2HB GLU 60 11.953 4.750 -7.618 446 HG2 GLU 60 1HG GLU 60 14.032 5.934 -6.143 447 HG3 GLU 60 2HG GLU 60 14.882 4.933 -7.304 448 H LYS 61 H LYS 61 10.238 5.502 -5.065 449 HA LYS 61 HA LYS 61 8.559 3.098 -5.162 450 HB2 LYS 61 1HB LYS 61 7.154 4.067 -3.565 451 HB3 LYS 61 2HB LYS 61 8.768 4.454 -3.003 452 HG2 LYS 61 1HG LYS 61 8.053 6.573 -4.767 453 HG3 LYS 61 2HG LYS 61 6.621 6.263 -3.807 454 HD2 LYS 61 1HD LYS 61 7.733 7.744 -2.395 455 HD3 LYS 61 2HD LYS 61 8.343 6.224 -1.774 456 HE2 LYS 61 1HE LYS 61 10.255 7.679 -2.077 457 HE3 LYS 61 2HE LYS 61 10.342 6.457 -3.330 458 HZ1 LYS 61 1HZ LYS 61 8.870 8.836 -4.006 459 HZ2 LYS 61 2HZ LYS 61 10.480 9.032 -3.818 460 HZ3 LYS 61 3HZ LYS 61 9.911 7.961 -4.911 461 H HIS 62 H HIS 62 6.395 3.333 -6.146 462 HA HIS 62 HA HIS 62 6.199 5.577 -7.984 463 HB2 HIS 62 1HB HIS 62 7.323 3.393 -8.966 464 HB3 HIS 62 2HB HIS 62 5.667 2.829 -9.056 465 HD1 HIS 62 1HD HIS 62 7.498 6.063 -10.056 466 HD2 HIS 62 2HD HIS 62 4.579 3.409 -11.479 467 HE1 HIS 62 1HE HIS 62 6.799 6.932 -12.351 468 H GLU 63 H GLU 63 3.986 5.915 -8.780 469 HA GLU 63 HA GLU 63 2.087 4.698 -6.936 470 HB2 GLU 63 1HB GLU 63 2.437 7.221 -6.864 471 HB3 GLU 63 2HB GLU 63 1.771 7.306 -8.483 472 HG2 GLU 63 1HG GLU 63 -0.053 5.712 -6.967 473 HG3 GLU 63 2HG GLU 63 0.368 7.068 -5.940 474 H LEU 64 H LEU 64 0.791 3.152 -7.818 475 HA LEU 64 HA LEU 64 0.524 3.085 -10.706 476 HB2 LEU 64 1HB LEU 64 -0.813 1.047 -9.053 477 HB3 LEU 64 2HB LEU 64 0.160 0.879 -10.501 478 HG LEU 64 HG LEU 64 2.067 1.622 -8.688 479 HD11 LEU 64 1HD1 LEU 64 -0.154 1.025 -7.087 480 HD12 LEU 64 2HD1 LEU 64 0.907 -0.400 -6.976 481 HD13 LEU 64 3HD1 LEU 64 1.539 1.214 -6.571 482 HD21 LEU 64 1HD2 LEU 64 2.789 -0.156 -9.843 483 HD22 LEU 64 2HD2 LEU 64 2.144 -1.106 -8.483 484 HD23 LEU 64 3HD2 LEU 64 1.164 -0.875 -9.951 485 H GLN 65 H GLN 65 -2.060 1.746 -10.738 486 HA GLN 65 HA GLN 65 -3.692 4.084 -10.132 487 HB2 GLN 65 1HB GLN 65 -3.696 2.091 -12.387 488 HB3 GLN 65 2HB GLN 65 -5.235 2.776 -11.906 489 HG2 GLN 65 1HG GLN 65 -3.374 4.953 -12.004 490 HG3 GLN 65 2HG GLN 65 -3.105 4.005 -13.453 491 HE21 GLN 65 1HE2 GLN 65 -3.922 6.149 -14.280 492 HE22 GLN 65 2HE2 GLN 65 -5.622 6.300 -14.578 493 HA PRO 66 HA PRO 66 -6.220 1.633 -7.596 494 HB2 PRO 66 1HB PRO 66 -8.741 2.599 -8.020 495 HB3 PRO 66 2HB PRO 66 -7.561 3.410 -7.009 496 HG2 PRO 66 1HG PRO 66 -8.464 4.116 -9.733 497 HG3 PRO 66 2HG PRO 66 -7.632 5.116 -8.559 498 HD2 PRO 66 1HD PRO 66 -6.483 3.870 -10.873 499 HD3 PRO 66 2HD PRO 66 -5.631 4.772 -9.636 500 H ASN 67 H ASN 67 -6.265 1.214 -10.831 501 HA ASN 67 HA ASN 67 -8.181 -0.962 -10.555 502 HB2 ASN 67 1HB ASN 67 -7.822 -0.805 -13.248 503 HB3 ASN 67 2HB ASN 67 -9.015 0.166 -12.408 504 HD21 ASN 67 1HD2 ASN 67 -5.645 0.112 -13.491 505 HD22 ASN 67 2HD2 ASN 67 -5.469 1.811 -13.776 506 H ASP 68 H ASP 68 -4.890 -0.182 -10.570 507 HA ASP 68 HA ASP 68 -3.787 -2.001 -12.311 508 HB2 ASP 68 1HB ASP 68 -2.719 -0.101 -10.839 509 HB3 ASP 68 2HB ASP 68 -2.577 -1.334 -9.603 510 H LEU 69 H LEU 69 -3.700 -4.258 -12.224 511 HA LEU 69 HA LEU 69 -5.008 -5.666 -10.199 512 HB2 LEU 69 1HB LEU 69 -3.312 -6.338 -12.555 513 HB3 LEU 69 2HB LEU 69 -3.583 -7.589 -11.358 514 HG LEU 69 HG LEU 69 -5.692 -6.117 -12.958 515 HD11 LEU 69 1HD1 LEU 69 -6.174 -8.520 -13.708 516 HD12 LEU 69 2HD1 LEU 69 -4.723 -7.721 -14.360 517 HD13 LEU 69 3HD1 LEU 69 -4.568 -8.914 -13.048 518 HD21 LEU 69 1HD2 LEU 69 -6.717 -6.423 -10.872 519 HD22 LEU 69 2HD2 LEU 69 -7.252 -7.814 -11.846 520 HD23 LEU 69 3HD2 LEU 69 -5.966 -8.019 -10.632 521 H VAL 70 H VAL 70 -4.360 -6.511 -8.267 522 HA VAL 70 HA VAL 70 -1.556 -6.027 -7.565 523 HB VAL 70 HB VAL 70 -2.593 -6.402 -5.207 524 HG11 VAL 70 1HG1 VAL 70 -3.382 -3.859 -6.647 525 HG12 VAL 70 2HG1 VAL 70 -2.874 -4.066 -4.954 526 HG13 VAL 70 3HG1 VAL 70 -1.690 -4.260 -6.268 527 HG21 VAL 70 1HG2 VAL 70 -4.833 -7.065 -6.464 528 HG22 VAL 70 2HG2 VAL 70 -4.862 -6.200 -4.909 529 HG23 VAL 70 3HG2 VAL 70 -5.098 -5.305 -6.430 530 H ILE 71 H ILE 71 -1.053 -8.014 -8.890 531 HA ILE 71 HA ILE 71 -0.703 -10.198 -7.173 532 HB ILE 71 HB ILE 71 -3.202 -10.313 -7.778 533 HG12 ILE 71 1HG1 ILE 71 -1.682 -12.098 -6.740 534 HG13 ILE 71 2HG1 ILE 71 -3.184 -12.625 -7.472 535 HG21 ILE 71 1HG2 ILE 71 -3.145 -9.910 -10.122 536 HG22 ILE 71 2HG2 ILE 71 -1.952 -11.205 -10.385 537 HG23 ILE 71 3HG2 ILE 71 -3.613 -11.612 -9.893 538 HD11 ILE 71 1HD1 ILE 71 -0.743 -13.729 -8.040 539 HD12 ILE 71 2HD1 ILE 71 -2.124 -13.759 -9.162 540 HD13 ILE 71 3HD1 ILE 71 -0.861 -12.517 -9.338 541 H SER 72 H SER 72 -1.019 -8.980 -10.546 542 HA SER 72 HA SER 72 0.975 -10.802 -11.448 543 HB2 SER 72 1HB SER 72 -0.420 -10.352 -13.220 544 HB3 SER 72 2HB SER 72 -0.816 -8.745 -12.643 545 HG SER 72 HG SER 72 1.419 -9.605 -14.216 546 H LYS 73 H LYS 73 3.123 -10.208 -12.206 547 HA LYS 73 HA LYS 73 4.048 -7.659 -11.073 548 HB2 LYS 73 1HB LYS 73 5.031 -10.414 -10.774 549 HB3 LYS 73 2HB LYS 73 6.280 -9.275 -11.234 550 HG2 LYS 73 1HG LYS 73 6.259 -8.261 -9.192 551 HG3 LYS 73 2HG LYS 73 4.510 -8.145 -9.176 552 HD2 LYS 73 1HD LYS 73 4.871 -10.868 -8.819 553 HD3 LYS 73 2HD LYS 73 6.281 -10.229 -7.998 554 HE2 LYS 73 1HE LYS 73 4.903 -9.904 -6.211 555 HE3 LYS 73 2HE LYS 73 4.280 -8.523 -7.092 556 HZ1 LYS 73 1HZ LYS 73 2.956 -10.626 -8.150 557 HZ2 LYS 73 2HZ LYS 73 3.033 -11.007 -6.564 558 HZ3 LYS 73 3HZ LYS 73 2.365 -9.593 -7.032 559 H SER 74 H SER 74 4.684 -6.197 -12.556 560 HA SER 74 HA SER 74 4.558 -6.585 -15.211 561 HB2 SER 74 1HB SER 74 4.942 -4.425 -13.769 562 HB3 SER 74 2HB SER 74 6.648 -4.734 -14.026 563 HG SER 74 HG SER 74 5.596 -3.287 -15.630 564 H LEU 75 H LEU 75 7.709 -6.334 -13.391 565 HA LEU 75 HA LEU 75 8.776 -8.668 -14.512 566 HB2 LEU 75 1HB LEU 75 10.365 -7.771 -16.083 567 HB3 LEU 75 2HB LEU 75 8.723 -7.431 -16.595 568 HG LEU 75 HG LEU 75 9.832 -5.235 -15.028 569 HD11 LEU 75 1HD1 LEU 75 11.461 -4.474 -16.726 570 HD12 LEU 75 2HD1 LEU 75 11.972 -5.960 -15.890 571 HD13 LEU 75 3HD1 LEU 75 11.316 -6.050 -17.542 572 HD21 LEU 75 1HD2 LEU 75 8.662 -5.493 -17.809 573 HD22 LEU 75 2HD2 LEU 75 7.840 -4.952 -16.326 574 HD23 LEU 75 3HD2 LEU 75 9.120 -3.950 -17.050 575 H GLU 76 H GLU 76 8.478 -7.612 -11.929 576 HA GLU 76 HA GLU 76 11.251 -6.926 -11.327 577 HB2 GLU 76 1HB GLU 76 8.654 -5.988 -10.082 578 HB3 GLU 76 2HB GLU 76 10.130 -5.975 -9.138 579 HG2 GLU 76 1HG GLU 76 11.170 -4.724 -11.215 580 HG3 GLU 76 2HG GLU 76 9.505 -4.431 -11.677 581 H ALA 77 H ALA 77 12.325 -8.606 -10.391 582 HA ALA 77 HA ALA 77 10.983 -10.901 -9.485 583 HB1 ALA 77 1HB ALA 77 13.471 -10.384 -10.339 584 HB2 ALA 77 2HB ALA 77 13.773 -10.271 -8.588 585 HB3 ALA 77 3HB ALA 77 13.108 -11.769 -9.282 586 H SER 78 H SER 78 9.479 -10.524 -7.852 587 HA SER 78 HA SER 78 8.809 -10.369 -5.786 588 HB2 SER 78 1HB SER 78 11.312 -11.266 -5.369 589 HB3 SER 78 2HB SER 78 11.508 -9.683 -4.643 590 HG SER 78 HG SER 78 10.116 -11.908 -3.705 591 H GLY 79 H GLY 79 7.592 -8.465 -6.081 592 HA2 GLY 79 1HA GLY 79 8.987 -5.898 -5.759 593 HA3 GLY 79 2HA GLY 79 7.388 -6.152 -6.429 594 H ARG 80 H ARG 80 6.526 -4.526 -4.959 595 HA ARG 80 HA ARG 80 5.479 -5.663 -2.659 596 HB2 ARG 80 1HB ARG 80 8.066 -4.344 -2.320 597 HB3 ARG 80 2HB ARG 80 6.838 -3.469 -1.427 598 HG2 ARG 80 1HG ARG 80 6.428 -5.230 0.029 599 HG3 ARG 80 2HG ARG 80 6.749 -6.455 -1.183 600 HD2 ARG 80 1HD ARG 80 8.993 -4.714 -0.086 601 HD3 ARG 80 2HD ARG 80 8.479 -6.161 0.758 602 HE ARG 80 HE ARG 80 8.853 -6.977 -1.897 603 HH11 ARG 80 2HH2 ARG 80 10.845 -5.508 0.605 604 HH12 ARG 80 1HH2 ARG 80 12.319 -6.208 0.021 605 HH21 ARG 80 2HH1 ARG 80 10.797 -7.899 -2.668 606 HH22 ARG 80 1HH1 ARG 80 12.291 -7.577 -1.853 607 H ILE 81 H ILE 81 3.641 -4.457 -2.042 608 HA ILE 81 HA ILE 81 3.253 -1.987 -3.555 609 HB ILE 81 HB ILE 81 1.222 -3.712 -2.137 610 HG12 ILE 81 1HG1 ILE 81 2.390 -4.953 -3.932 611 HG13 ILE 81 2HG1 ILE 81 0.690 -4.695 -4.267 612 HG21 ILE 81 1HG2 ILE 81 0.747 -1.229 -2.618 613 HG22 ILE 81 2HG2 ILE 81 0.692 -1.715 -4.330 614 HG23 ILE 81 3HG2 ILE 81 -0.441 -2.437 -3.163 615 HD11 ILE 81 1HD1 ILE 81 2.348 -2.483 -5.279 616 HD12 ILE 81 2HD1 ILE 81 2.812 -4.055 -5.972 617 HD13 ILE 81 3HD1 ILE 81 1.138 -3.472 -6.130 618 H TYR 82 H TYR 82 2.420 -0.076 -2.511 619 HA TYR 82 HA TYR 82 2.676 -0.106 0.410 620 HB2 TYR 82 1HB TYR 82 4.058 1.514 -1.771 621 HB3 TYR 82 2HB TYR 82 3.696 2.336 -0.266 622 HD1 TYR 82 1HD TYR 82 5.206 -0.927 -1.370 623 HD2 TYR 82 2HD TYR 82 5.385 2.399 1.315 624 HE1 TYR 82 1HE TYR 82 7.331 -1.865 -0.338 625 HE2 TYR 82 2HE TYR 82 7.510 1.449 2.339 626 HH TYR 82 HH TYR 82 9.381 -0.708 0.924 627 H VAL 83 H VAL 83 1.934 2.236 1.234 628 HA VAL 83 HA VAL 83 -0.263 3.203 -0.419 629 HB VAL 83 HB VAL 83 -1.308 1.521 0.915 630 HG11 VAL 83 1HG1 VAL 83 0.602 2.368 2.923 631 HG12 VAL 83 2HG1 VAL 83 -1.049 2.353 3.590 632 HG13 VAL 83 3HG1 VAL 83 -0.378 0.884 2.842 633 HG21 VAL 83 1HG2 VAL 83 -1.934 4.075 2.397 634 HG22 VAL 83 2HG2 VAL 83 -2.336 3.881 0.674 635 HG23 VAL 83 3HG2 VAL 83 -3.035 2.775 1.881 636 H TYR 84 H TYR 84 -0.170 5.387 -0.514 637 HA TYR 84 HA TYR 84 1.214 6.738 1.705 638 HB2 TYR 84 1HB TYR 84 1.036 7.140 -1.337 639 HB3 TYR 84 2HB TYR 84 1.597 8.435 -0.297 640 HD1 TYR 84 2HD TYR 84 2.297 4.809 -0.977 641 HD2 TYR 84 1HD TYR 84 3.881 8.640 0.080 642 HE1 TYR 84 2HE TYR 84 4.656 3.865 -1.062 643 HE2 TYR 84 1HE TYR 84 6.235 7.683 -0.008 644 HH TYR 84 HH TYR 84 6.807 4.410 -1.154 645 H ARG 85 H ARG 85 0.561 9.124 1.896 646 HA ARG 85 HA ARG 85 -2.323 9.176 1.728 647 HB2 ARG 85 1HB ARG 85 -0.614 9.836 3.789 648 HB3 ARG 85 2HB ARG 85 -0.860 11.416 3.074 649 HG2 ARG 85 1HG ARG 85 -3.403 9.981 3.261 650 HG3 ARG 85 2HG ARG 85 -2.618 10.032 4.827 651 HD2 ARG 85 1HD ARG 85 -2.741 12.565 3.170 652 HD3 ARG 85 2HD ARG 85 -4.175 12.045 4.032 653 HE ARG 85 HE ARG 85 -1.963 11.925 5.839 654 HH11 ARG 85 2HH2 ARG 85 -3.904 14.308 4.124 655 HH12 ARG 85 1HH2 ARG 85 -3.655 15.549 5.306 656 HH21 ARG 85 2HH1 ARG 85 -1.635 13.563 7.398 657 HH22 ARG 85 1HH1 ARG 85 -2.356 15.123 7.181 658 H LYS 86 H LYS 86 -3.453 11.056 0.829 659 HA LYS 86 HA LYS 86 -1.793 12.482 -1.121 660 HB2 LYS 86 1HB LYS 86 -4.733 11.759 -1.105 661 HB3 LYS 86 2HB LYS 86 -4.029 12.879 -2.253 662 HG2 LYS 86 1HG LYS 86 -2.328 11.032 -2.834 663 HG3 LYS 86 2HG LYS 86 -3.305 9.940 -1.873 664 HD2 LYS 86 1HD LYS 86 -4.440 9.568 -3.823 665 HD3 LYS 86 2HD LYS 86 -5.249 11.078 -3.456 666 HE2 LYS 86 1HE LYS 86 -3.360 12.272 -4.736 667 HE3 LYS 86 2HE LYS 86 -2.819 10.690 -5.260 668 HZ1 LYS 86 1HZ LYS 86 -5.104 12.182 -6.094 669 HZ2 LYS 86 2HZ LYS 86 -4.270 11.024 -6.888 670 HZ3 LYS 86 3HZ LYS 86 -5.425 10.606 -5.812 671 H ASP 87 H ASP 87 -1.275 14.542 -0.645 672 HA ASP 87 HA ASP 87 -3.040 15.898 1.231 673 HB2 ASP 87 1HB ASP 87 -0.239 15.554 1.207 674 HB3 ASP 87 2HB ASP 87 -0.461 17.203 0.659 675 H LEU 88 H LEU 88 -0.813 16.469 -1.605 676 HA LEU 88 HA LEU 88 -2.734 17.800 -3.125 677 HB2 LEU 88 1HB LEU 88 -1.901 20.098 -3.005 678 HB3 LEU 88 2HB LEU 88 -2.662 19.561 -1.520 679 HG LEU 88 HG LEU 88 -0.752 19.723 -0.299 680 HD11 LEU 88 1HD1 LEU 88 1.501 19.291 -1.066 681 HD12 LEU 88 2HD1 LEU 88 0.426 17.969 -1.581 682 HD13 LEU 88 3HD1 LEU 88 0.945 19.202 -2.755 683 HD21 LEU 88 1HD2 LEU 88 0.755 21.516 -1.856 684 HD22 LEU 88 2HD2 LEU 88 -0.943 21.758 -2.333 685 HD23 LEU 88 3HD2 LEU 88 -0.470 21.899 -0.623 686 H ALA 89 H ALA 89 -1.495 19.093 -4.993 687 HA ALA 89 HA ALA 89 -0.211 18.755 -6.776 688 HB1 ALA 89 1HB ALA 89 2.211 18.235 -5.126 689 HB2 ALA 89 2HB ALA 89 1.921 19.466 -6.378 690 HB3 ALA 89 3HB ALA 89 1.301 19.712 -4.728 691 H ASP 90 H ASP 90 1.889 17.202 -7.533 692 HA ASP 90 HA ASP 90 0.683 14.611 -7.392 693 HB2 ASP 90 1HB ASP 90 2.958 15.856 -8.970 694 HB3 ASP 90 2HB ASP 90 2.745 14.117 -8.969 695 H THR 91 H THR 91 1.510 15.069 -4.856 696 HA THR 91 HA THR 91 4.051 13.597 -4.644 697 HB THR 91 HB THR 91 4.369 15.038 -2.524 698 HG1 THR 91 1HG THR 91 2.374 16.587 -4.014 699 HG21 THR 91 1HG2 THR 91 5.655 15.671 -4.532 700 HG22 THR 91 2HG2 THR 91 4.216 16.439 -5.244 701 HG23 THR 91 3HG2 THR 91 4.979 17.145 -3.799 702 H LEU 92 H LEU 92 4.282 12.309 -2.667 703 HA LEU 92 HA LEU 92 1.673 11.610 -1.526 704 HB2 LEU 92 1HB LEU 92 3.591 9.904 -3.003 705 HB3 LEU 92 2HB LEU 92 2.920 9.220 -1.536 706 HG LEU 92 HG LEU 92 1.443 10.125 -4.011 707 HD11 LEU 92 1HD1 LEU 92 0.559 7.614 -3.313 708 HD12 LEU 92 2HD1 LEU 92 1.799 7.983 -4.536 709 HD13 LEU 92 3HD1 LEU 92 2.284 7.558 -2.877 710 HD21 LEU 92 1HD2 LEU 92 0.416 9.741 -1.226 711 HD22 LEU 92 2HD2 LEU 92 -0.058 10.920 -2.472 712 HD23 LEU 92 3HD2 LEU 92 -0.591 9.227 -2.601 713 H ASN 93 H ASN 93 5.245 10.982 -1.237 714 HA ASN 93 HA ASN 93 6.588 11.069 0.462 715 HB2 ASN 93 1HB ASN 93 4.414 12.695 1.886 716 HB3 ASN 93 2HB ASN 93 6.088 12.588 2.395 717 HD21 ASN 93 1HD2 ASN 93 3.820 13.963 0.199 718 HD22 ASN 93 2HD2 ASN 93 4.873 15.064 -0.624 719 HA PRO 94 HA PRO 94 5.084 7.826 3.017 720 HB2 PRO 94 1HB PRO 94 7.270 7.410 4.604 721 HB3 PRO 94 2HB PRO 94 7.121 6.753 2.986 722 HG2 PRO 94 1HG PRO 94 8.761 9.029 3.918 723 HG3 PRO 94 2HG PRO 94 8.911 8.100 2.440 724 HD2 PRO 94 1HD PRO 94 7.788 10.725 2.709 725 HD3 PRO 94 2HD PRO 94 7.834 9.749 1.255 726 H PHE 95 H PHE 95 4.004 7.371 4.921 727 HA PHE 95 HA PHE 95 3.235 9.620 6.351 728 HB2 PHE 95 1HB PHE 95 3.166 6.591 6.670 729 HB3 PHE 95 2HB PHE 95 2.634 7.566 8.025 730 HD1 PHE 95 1HD PHE 95 0.792 9.322 7.540 731 HD2 PHE 95 2HD PHE 95 1.677 6.076 4.954 732 HE1 PHE 95 1HE PHE 95 -1.481 9.535 6.495 733 HE2 PHE 95 2HE PHE 95 -0.595 6.289 3.909 734 HZ PHE 95 HZ PHE 95 -2.147 8.015 4.692 735 H ALA 96 H ALA 96 3.383 9.644 8.905 736 HA ALA 96 HA ALA 96 6.175 9.102 9.648 737 HB1 ALA 96 1HB ALA 96 4.625 11.627 9.625 738 HB2 ALA 96 2HB ALA 96 5.492 11.299 11.145 739 HB3 ALA 96 3HB ALA 96 6.385 11.364 9.606 740 H GLU 97 H GLU 97 6.253 9.476 12.259 741 HA GLU 97 HA GLU 97 4.728 7.373 13.253 742 HB2 GLU 97 1HB GLU 97 6.936 8.935 14.094 743 HB3 GLU 97 2HB GLU 97 5.728 9.157 15.343 744 HG2 GLU 97 1HG GLU 97 5.706 6.892 15.934 745 HG3 GLU 97 2HG GLU 97 6.169 6.354 14.332 746 H ASN 98 H ASN 98 2.506 7.527 13.323 747 HA ASN 98 HA ASN 98 1.485 9.851 14.752 748 HB2 ASN 98 1HB ASN 98 -0.571 9.703 13.305 749 HB3 ASN 98 2HB ASN 98 0.867 10.069 12.373 750 HD21 ASN 98 1HD2 ASN 98 -1.717 8.764 11.700 751 HD22 ASN 98 2HD2 ASN 98 -1.323 7.251 10.954 752 H SER 99 H SER 99 -0.104 9.331 16.354 753 HA SER 99 HA SER 99 -0.371 6.506 16.855 754 HB2 SER 99 1HB SER 99 -1.007 7.114 19.081 755 HB3 SER 99 2HB SER 99 0.302 8.195 18.645 756 HG SER 99 HG SER 99 -2.527 8.772 18.729 757 H GLY 100 H GLY 100 -2.383 5.399 16.914 758 HA2 GLY 100 1HA GLY 100 -4.827 6.916 16.439 759 HA3 GLY 100 2HA GLY 100 -4.319 5.836 15.157 760 HA PRO 101 HA PRO 101 -6.420 3.540 18.648 761 HB2 PRO 101 1HB PRO 101 -9.071 3.660 17.994 762 HB3 PRO 101 2HB PRO 101 -8.332 4.700 19.195 763 HG2 PRO 101 1HG PRO 101 -9.175 5.359 16.439 764 HG3 PRO 101 2HG PRO 101 -8.841 6.444 17.774 765 HD2 PRO 101 1HD PRO 101 -7.134 5.905 15.532 766 HD3 PRO 101 2HD PRO 101 -6.753 6.899 16.924 767 H SER 102 H SER 102 -4.954 2.345 16.971 768 HA SER 102 HA SER 102 -6.371 0.993 14.975 769 HB2 SER 102 1HB SER 102 -3.927 1.351 14.890 770 HB3 SER 102 2HB SER 102 -3.706 0.355 16.314 771 HG SER 102 HG SER 102 -3.340 -0.710 14.169 772 H SER 103 H SER 103 -7.954 -0.513 15.359 773 HA SER 103 HA SER 103 -7.699 -2.079 17.790 774 HB2 SER 103 1HB SER 103 -10.100 -2.583 17.485 775 HB3 SER 103 2HB SER 103 -9.818 -0.853 17.499 776 HG SER 103 HG SER 103 -10.285 -2.539 15.194 777 H GLY 104 H GLY 104 -6.035 -3.515 16.886 778 HA2 GLY 104 1HA GLY 104 -6.031 -5.842 16.284 779 HA3 GLY 104 2HA GLY 104 -7.183 -5.490 15.010 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -5.877 -19.209 -12.617 2 HA2 GLY 1 1HA GLY 1 -8.078 -19.556 -11.679 3 HA3 GLY 1 2HA GLY 1 -8.091 -17.877 -11.178 4 H SER 2 H SER 2 -9.886 -19.507 -13.054 5 HA SER 2 HA SER 2 -10.091 -17.452 -15.005 6 HB2 SER 2 1HB SER 2 -8.978 -20.141 -15.705 7 HB3 SER 2 2HB SER 2 -10.190 -19.504 -16.798 8 HG SER 2 HG SER 2 -8.730 -17.424 -16.562 9 H SER 3 H SER 3 -12.179 -17.150 -14.057 10 HA SER 3 HA SER 3 -14.350 -17.400 -14.076 11 HB2 SER 3 1HB SER 3 -14.137 -20.129 -15.397 12 HB3 SER 3 2HB SER 3 -15.496 -19.023 -15.430 13 HG SER 3 HG SER 3 -13.390 -19.176 -17.151 14 H GLY 4 H GLY 4 -12.887 -20.718 -13.692 15 HA2 GLY 4 1HA GLY 4 -13.491 -20.779 -10.892 16 HA3 GLY 4 2HA GLY 4 -14.603 -21.756 -11.830 17 H SER 5 H SER 5 -11.048 -21.109 -11.459 18 HA SER 5 HA SER 5 -10.684 -23.983 -11.746 19 HB2 SER 5 1HB SER 5 -9.254 -21.743 -13.183 20 HB3 SER 5 2HB SER 5 -8.370 -23.210 -12.814 21 HG SER 5 HG SER 5 -9.490 -24.313 -14.296 22 H SER 6 H SER 6 -10.312 -24.422 -9.557 23 HA SER 6 HA SER 6 -9.267 -24.506 -7.658 24 HB2 SER 6 1HB SER 6 -7.226 -24.304 -9.525 25 HB3 SER 6 2HB SER 6 -6.821 -23.009 -8.416 26 HG SER 6 HG SER 6 -6.687 -24.472 -6.697 27 H GLY 7 H GLY 7 -9.070 -23.270 -5.709 28 HA2 GLY 7 1HA GLY 7 -10.295 -20.782 -5.650 29 HA3 GLY 7 2HA GLY 7 -9.323 -21.483 -4.371 30 H GLU 8 H GLU 8 -9.602 -18.677 -5.835 31 HA GLU 8 HA GLU 8 -6.935 -18.314 -6.782 32 HB2 GLU 8 1HB GLU 8 -7.667 -15.937 -7.093 33 HB3 GLU 8 2HB GLU 8 -8.731 -17.089 -7.875 34 HG2 GLU 8 1HG GLU 8 -9.425 -16.376 -5.047 35 HG3 GLU 8 2HG GLU 8 -9.620 -15.097 -6.229 36 H GLU 9 H GLU 9 -6.143 -19.182 -4.546 37 HA GLU 9 HA GLU 9 -6.415 -17.401 -2.370 38 HB2 GLU 9 1HB GLU 9 -4.652 -19.822 -2.898 39 HB3 GLU 9 2HB GLU 9 -4.537 -18.904 -1.410 40 HG2 GLU 9 1HG GLU 9 -6.465 -19.796 -0.579 41 HG3 GLU 9 2HG GLU 9 -7.334 -19.531 -2.077 42 H ILE 10 H ILE 10 -5.321 -15.514 -2.050 43 HA ILE 10 HA ILE 10 -2.562 -15.289 -2.511 44 HB ILE 10 HB ILE 10 -3.568 -15.254 -4.876 45 HG12 ILE 10 1HG1 ILE 10 -1.851 -12.865 -4.210 46 HG13 ILE 10 2HG1 ILE 10 -1.242 -14.497 -4.025 47 HG21 ILE 10 1HG2 ILE 10 -4.213 -12.898 -5.572 48 HG22 ILE 10 2HG2 ILE 10 -5.424 -13.816 -4.645 49 HG23 ILE 10 3HG2 ILE 10 -4.455 -12.558 -3.841 50 HD11 ILE 10 1HD1 ILE 10 -1.464 -12.955 -6.436 51 HD12 ILE 10 2HD1 ILE 10 -0.834 -14.609 -6.245 52 HD13 ILE 10 3HD1 ILE 10 -2.562 -14.348 -6.582 53 H PHE 11 H PHE 11 -1.758 -13.144 -1.839 54 HA PHE 11 HA PHE 11 -3.824 -11.615 -0.427 55 HB2 PHE 11 1HB PHE 11 -1.297 -12.985 0.452 56 HB3 PHE 11 2HB PHE 11 -1.460 -11.345 1.048 57 HD1 PHE 11 1HD PHE 11 -2.874 -14.725 1.149 58 HD2 PHE 11 2HD PHE 11 -3.158 -10.774 2.672 59 HE1 PHE 11 1HE PHE 11 -4.371 -15.542 2.990 60 HE2 PHE 11 2HE PHE 11 -4.656 -11.591 4.513 61 HZ PHE 11 HZ PHE 11 -5.244 -13.966 4.650 62 H CYS 12 H CYS 12 -3.054 -9.351 0.157 63 HA CYS 12 HA CYS 12 -1.118 -8.422 -1.835 64 HB2 CYS 12 1HB CYS 12 -3.355 -7.842 -2.617 65 HB3 CYS 12 2HB CYS 12 -3.743 -7.099 -1.078 66 HG CYS 12 HG CYS 12 -1.740 -5.350 -1.145 67 H HIS 13 H HIS 13 0.660 -7.905 -0.581 68 HA HIS 13 HA HIS 13 0.244 -6.942 2.098 69 HB2 HIS 13 1HB HIS 13 2.726 -7.563 0.479 70 HB3 HIS 13 2HB HIS 13 2.775 -6.935 2.114 71 HD1 HIS 13 1HD HIS 13 2.585 -10.061 0.238 72 HD2 HIS 13 2HD HIS 13 1.435 -8.755 4.055 73 HE1 HIS 13 1HE HIS 13 2.223 -12.166 1.635 74 H VAL 14 H VAL 14 -0.071 -4.832 2.573 75 HA VAL 14 HA VAL 14 1.042 -2.879 0.679 76 HB VAL 14 HB VAL 14 -1.511 -2.858 2.291 77 HG11 VAL 14 1HG1 VAL 14 -0.482 -0.652 2.470 78 HG12 VAL 14 2HG1 VAL 14 -0.260 -0.590 0.705 79 HG13 VAL 14 3HG1 VAL 14 -1.900 -0.588 1.397 80 HG21 VAL 14 1HG2 VAL 14 -2.272 -2.236 -0.197 81 HG22 VAL 14 2HG2 VAL 14 -0.807 -3.166 -0.594 82 HG23 VAL 14 3HG2 VAL 14 -2.109 -3.920 0.358 83 H TYR 15 H TYR 15 2.981 -2.341 1.635 84 HA TYR 15 HA TYR 15 3.205 -2.131 4.475 85 HB2 TYR 15 1HB TYR 15 4.842 -1.548 1.955 86 HB3 TYR 15 2HB TYR 15 5.456 -1.007 3.505 87 HD1 TYR 15 1HD TYR 15 3.660 -4.183 2.661 88 HD2 TYR 15 2HD TYR 15 7.320 -2.360 3.922 89 HE1 TYR 15 1HE TYR 15 4.673 -6.480 3.068 90 HE2 TYR 15 2HE TYR 15 8.320 -4.662 4.325 91 HH TYR 15 HH TYR 15 6.445 -7.593 3.604 92 H ILE 16 H ILE 16 3.055 -0.343 5.777 93 HA ILE 16 HA ILE 16 2.178 2.100 4.460 94 HB ILE 16 HB ILE 16 2.055 1.077 7.288 95 HG12 ILE 16 1HG1 ILE 16 -0.180 0.753 6.944 96 HG13 ILE 16 2HG1 ILE 16 -0.318 2.051 5.774 97 HG21 ILE 16 1HG2 ILE 16 1.164 3.812 6.339 98 HG22 ILE 16 2HG2 ILE 16 1.037 3.143 7.983 99 HG23 ILE 16 3HG2 ILE 16 2.637 3.495 7.287 100 HD11 ILE 16 1HD1 ILE 16 -0.582 -0.134 4.661 101 HD12 ILE 16 2HD1 ILE 16 0.904 0.664 4.090 102 HD13 ILE 16 3HD1 ILE 16 1.004 -0.657 5.278 103 H THR 17 H THR 17 4.423 1.188 7.176 104 HA THR 17 HA THR 17 6.058 3.506 6.399 105 HB THR 17 HB THR 17 6.675 3.628 8.705 106 HG1 THR 17 1HG THR 17 5.623 0.889 8.659 107 HG21 THR 17 1HG2 THR 17 3.884 2.370 8.808 108 HG22 THR 17 2HG2 THR 17 4.612 3.442 10.029 109 HG23 THR 17 3HG2 THR 17 4.184 4.082 8.424 110 H GLU 18 H GLU 18 8.067 1.929 8.323 111 HA GLU 18 HA GLU 18 9.301 0.623 6.047 112 HB2 GLU 18 1HB GLU 18 10.510 2.419 7.417 113 HB3 GLU 18 2HB GLU 18 10.564 1.274 8.742 114 HG2 GLU 18 1HG GLU 18 12.494 0.493 7.829 115 HG3 GLU 18 2HG GLU 18 11.501 -0.244 6.588 116 H HIS 19 H HIS 19 7.743 0.017 9.132 117 HA HIS 19 HA HIS 19 8.283 -2.821 8.745 118 HB2 HIS 19 1HB HIS 19 8.364 -1.540 11.481 119 HB3 HIS 19 2HB HIS 19 8.768 -3.190 11.051 120 HD1 HIS 19 1HD HIS 19 11.108 -3.631 9.977 121 HD2 HIS 19 2HD HIS 19 10.381 0.383 10.955 122 HE1 HIS 19 1HE HIS 19 13.359 -2.439 9.825 123 H SER 20 H SER 20 6.026 -1.337 7.862 124 HA SER 20 HA SER 20 4.045 -2.555 9.589 125 HB2 SER 20 1HB SER 20 3.422 0.151 8.413 126 HB3 SER 20 2HB SER 20 2.726 -0.629 9.820 127 HG SER 20 HG SER 20 4.675 -0.227 10.996 128 H TYR 21 H TYR 21 2.336 -3.509 8.427 129 HA TYR 21 HA TYR 21 1.829 -2.748 5.711 130 HB2 TYR 21 1HB TYR 21 2.718 -4.748 4.715 131 HB3 TYR 21 2HB TYR 21 3.940 -4.367 5.912 132 HD1 TYR 21 2HD TYR 21 4.102 -5.678 8.009 133 HD2 TYR 21 1HD TYR 21 1.299 -6.700 4.942 134 HE1 TYR 21 2HE TYR 21 3.790 -7.977 9.049 135 HE2 TYR 21 1HE TYR 21 0.997 -8.995 5.992 136 HH TYR 21 HH TYR 21 2.147 -10.492 7.402 137 H VAL 22 H VAL 22 0.177 -4.443 4.728 138 HA VAL 22 HA VAL 22 -1.478 -5.513 6.895 139 HB VAL 22 HB VAL 22 -2.604 -3.986 4.553 140 HG11 VAL 22 1HG1 VAL 22 -4.088 -5.596 5.710 141 HG12 VAL 22 2HG1 VAL 22 -3.802 -4.736 7.241 142 HG13 VAL 22 3HG1 VAL 22 -4.632 -3.912 5.899 143 HG21 VAL 22 1HG2 VAL 22 -1.253 -2.389 5.752 144 HG22 VAL 22 2HG2 VAL 22 -2.962 -2.097 6.153 145 HG23 VAL 22 3HG2 VAL 22 -1.906 -2.937 7.314 146 H SER 23 H SER 23 -2.481 -7.471 6.415 147 HA SER 23 HA SER 23 -1.621 -8.602 3.885 148 HB2 SER 23 1HB SER 23 -1.834 -10.760 4.912 149 HB3 SER 23 2HB SER 23 -1.037 -9.733 6.087 150 HG SER 23 HG SER 23 -3.876 -10.323 6.046 151 H VAL 24 H VAL 24 -3.273 -7.690 2.519 152 HA VAL 24 HA VAL 24 -6.028 -8.283 3.247 153 HB VAL 24 HB VAL 24 -4.818 -6.696 0.973 154 HG11 VAL 24 1HG1 VAL 24 -7.679 -7.230 1.787 155 HG12 VAL 24 2HG1 VAL 24 -7.222 -5.779 0.863 156 HG13 VAL 24 3HG1 VAL 24 -6.920 -7.398 0.186 157 HG21 VAL 24 1HG2 VAL 24 -5.603 -6.021 3.756 158 HG22 VAL 24 2HG2 VAL 24 -4.397 -5.269 2.685 159 HG23 VAL 24 3HG2 VAL 24 -6.123 -4.878 2.494 160 H LYS 25 H LYS 25 -7.364 -9.689 2.079 161 HA LYS 25 HA LYS 25 -5.888 -11.554 0.394 162 HB2 LYS 25 1HB LYS 25 -7.489 -12.064 2.478 163 HB3 LYS 25 2HB LYS 25 -8.715 -12.036 1.227 164 HG2 LYS 25 1HG LYS 25 -7.523 -13.747 -0.069 165 HG3 LYS 25 2HG LYS 25 -6.152 -13.682 1.020 166 HD2 LYS 25 1HD LYS 25 -8.005 -14.261 2.869 167 HD3 LYS 25 2HD LYS 25 -8.890 -14.872 1.485 168 HE2 LYS 25 1HE LYS 25 -7.405 -16.618 1.121 169 HE3 LYS 25 2HE LYS 25 -6.014 -15.696 1.652 170 HZ1 LYS 25 1HZ LYS 25 -7.816 -16.096 3.775 171 HZ2 LYS 25 2HZ LYS 25 -7.401 -17.528 3.110 172 HZ3 LYS 25 3HZ LYS 25 -6.243 -16.521 3.667 173 H ALA 26 H ALA 26 -5.731 -10.688 -1.649 174 HA ALA 26 HA ALA 26 -8.210 -9.644 -2.813 175 HB1 ALA 26 1HB ALA 26 -5.479 -8.799 -2.836 176 HB2 ALA 26 2HB ALA 26 -5.903 -9.294 -4.492 177 HB3 ALA 26 3HB ALA 26 -6.870 -8.054 -3.659 178 H LYS 27 H LYS 27 -8.596 -10.237 -5.157 179 HA LYS 27 HA LYS 27 -8.401 -13.083 -5.388 180 HB2 LYS 27 1HB LYS 27 -9.505 -11.107 -7.399 181 HB3 LYS 27 2HB LYS 27 -9.845 -12.822 -7.289 182 HG2 LYS 27 1HG LYS 27 -10.601 -12.167 -4.794 183 HG3 LYS 27 2HG LYS 27 -10.799 -10.579 -5.509 184 HD2 LYS 27 1HD LYS 27 -12.303 -11.517 -7.247 185 HD3 LYS 27 2HD LYS 27 -12.058 -13.133 -6.616 186 HE2 LYS 27 1HE LYS 27 -13.715 -12.823 -5.100 187 HE3 LYS 27 2HE LYS 27 -12.857 -11.460 -4.409 188 HZ1 LYS 27 1HZ LYS 27 -13.842 -10.389 -6.623 189 HZ2 LYS 27 2HZ LYS 27 -15.017 -11.473 -6.288 190 HZ3 LYS 27 3HZ LYS 27 -14.606 -10.346 -5.180 191 H VAL 28 H VAL 28 -7.862 -13.869 -7.822 192 HA VAL 28 HA VAL 28 -5.080 -13.385 -8.082 193 HB VAL 28 HB VAL 28 -6.239 -15.542 -8.485 194 HG11 VAL 28 1HG1 VAL 28 -6.989 -15.105 -11.233 195 HG12 VAL 28 2HG1 VAL 28 -7.969 -15.724 -9.881 196 HG13 VAL 28 3HG1 VAL 28 -7.875 -13.972 -10.183 197 HG21 VAL 28 1HG2 VAL 28 -3.966 -15.047 -9.371 198 HG22 VAL 28 2HG2 VAL 28 -4.870 -16.211 -10.370 199 HG23 VAL 28 3HG2 VAL 28 -4.709 -14.520 -10.900 200 H SER 29 H SER 29 -7.842 -11.644 -9.058 201 HA SER 29 HA SER 29 -6.175 -10.131 -10.865 202 HB2 SER 29 1HB SER 29 -8.985 -11.036 -11.636 203 HB3 SER 29 2HB SER 29 -7.931 -10.015 -12.594 204 HG SER 29 HG SER 29 -6.482 -12.196 -12.045 205 H SER 30 H SER 30 -6.864 -9.541 -8.192 206 HA SER 30 HA SER 30 -9.181 -7.850 -8.292 207 HB2 SER 30 1HB SER 30 -9.177 -8.678 -6.167 208 HB3 SER 30 2HB SER 30 -7.465 -9.051 -6.210 209 HG SER 30 HG SER 30 -8.591 -7.081 -4.865 210 H ILE 31 H ILE 31 -9.099 -5.520 -7.853 211 HA ILE 31 HA ILE 31 -6.678 -4.345 -8.930 212 HB ILE 31 HB ILE 31 -8.104 -2.264 -8.891 213 HG12 ILE 31 1HG1 ILE 31 -10.425 -4.142 -8.440 214 HG13 ILE 31 2HG1 ILE 31 -9.671 -3.281 -7.113 215 HG21 ILE 31 1HG2 ILE 31 -8.907 -2.728 -10.979 216 HG22 ILE 31 2HG2 ILE 31 -7.767 -4.081 -10.785 217 HG23 ILE 31 3HG2 ILE 31 -9.508 -4.340 -10.518 218 HD11 ILE 31 1HD1 ILE 31 -9.973 -1.205 -8.851 219 HD12 ILE 31 2HD1 ILE 31 -11.340 -2.227 -9.358 220 HD13 ILE 31 3HD1 ILE 31 -11.221 -1.673 -7.670 221 H ALA 32 H ALA 32 -5.850 -2.278 -7.865 222 HA ALA 32 HA ALA 32 -5.106 -2.893 -5.227 223 HB1 ALA 32 1HB ALA 32 -4.909 -0.104 -6.319 224 HB2 ALA 32 2HB ALA 32 -3.697 -1.076 -5.451 225 HB3 ALA 32 3HB ALA 32 -4.037 -1.403 -7.167 226 H GLN 33 H GLN 33 -7.585 -0.726 -6.680 227 HA GLN 33 HA GLN 33 -8.261 0.729 -4.513 228 HB2 GLN 33 1HB GLN 33 -9.293 1.188 -6.629 229 HB3 GLN 33 2HB GLN 33 -9.959 -0.428 -6.751 230 HG2 GLN 33 1HG GLN 33 -11.863 0.633 -5.993 231 HG3 GLN 33 2HG GLN 33 -11.146 0.292 -4.430 232 HE21 GLN 33 1HE2 GLN 33 -9.554 1.957 -3.636 233 HE22 GLN 33 2HE2 GLN 33 -9.973 3.627 -3.826 234 H GLU 34 H GLU 34 -9.282 -2.633 -5.335 235 HA GLU 34 HA GLU 34 -11.155 -2.929 -3.355 236 HB2 GLU 34 1HB GLU 34 -9.327 -4.866 -4.800 237 HB3 GLU 34 2HB GLU 34 -10.401 -5.445 -3.543 238 HG2 GLU 34 1HG GLU 34 -12.354 -4.448 -4.748 239 HG3 GLU 34 2HG GLU 34 -11.282 -3.861 -6.003 240 H ILE 35 H ILE 35 -7.588 -3.106 -3.249 241 HA ILE 35 HA ILE 35 -7.628 -4.098 -0.535 242 HB ILE 35 HB ILE 35 -5.243 -3.150 -2.107 243 HG12 ILE 35 1HG1 ILE 35 -6.428 -4.675 -3.567 244 HG13 ILE 35 2HG1 ILE 35 -4.985 -5.447 -2.942 245 HG21 ILE 35 1HG2 ILE 35 -5.673 -4.408 0.468 246 HG22 ILE 35 2HG2 ILE 35 -4.630 -5.404 -0.574 247 HG23 ILE 35 3HG2 ILE 35 -4.192 -3.713 -0.233 248 HD11 ILE 35 1HD1 ILE 35 -6.209 -7.110 -2.015 249 HD12 ILE 35 2HD1 ILE 35 -7.202 -5.934 -1.122 250 HD13 ILE 35 3HD1 ILE 35 -7.654 -6.404 -2.778 251 H LEU 36 H LEU 36 -7.071 -1.052 -2.349 252 HA LEU 36 HA LEU 36 -6.061 0.451 -0.253 253 HB2 LEU 36 1HB LEU 36 -6.164 0.999 -2.710 254 HB3 LEU 36 2HB LEU 36 -7.845 1.436 -2.478 255 HG LEU 36 HG LEU 36 -7.038 3.104 -0.723 256 HD11 LEU 36 1HD1 LEU 36 -4.400 3.333 -1.962 257 HD12 LEU 36 2HD1 LEU 36 -4.878 3.393 -0.249 258 HD13 LEU 36 3HD1 LEU 36 -4.614 1.823 -1.045 259 HD21 LEU 36 1HD2 LEU 36 -6.552 3.328 -3.678 260 HD22 LEU 36 2HD2 LEU 36 -7.817 4.072 -2.670 261 HD23 LEU 36 3HD2 LEU 36 -6.146 4.681 -2.595 262 H LYS 37 H LYS 37 -9.473 -0.184 -1.268 263 HA LYS 37 HA LYS 37 -10.665 1.485 0.604 264 HB2 LYS 37 1HB LYS 37 -12.688 0.198 0.162 265 HB3 LYS 37 2HB LYS 37 -11.833 0.551 -1.326 266 HG2 LYS 37 1HG LYS 37 -11.529 -1.656 -1.784 267 HG3 LYS 37 2HG LYS 37 -10.885 -1.972 -0.185 268 HD2 LYS 37 1HD LYS 37 -13.268 -1.984 0.705 269 HD3 LYS 37 2HD LYS 37 -13.840 -1.832 -0.945 270 HE2 LYS 37 1HE LYS 37 -11.888 -4.049 -0.306 271 HE3 LYS 37 2HE LYS 37 -13.553 -4.236 0.207 272 HZ1 LYS 37 1HZ LYS 37 -13.905 -3.429 -2.271 273 HZ2 LYS 37 2HZ LYS 37 -12.468 -4.182 -2.455 274 HZ3 LYS 37 3HZ LYS 37 -13.752 -5.004 -1.868 275 H VAL 38 H VAL 38 -9.202 -1.739 0.886 276 HA VAL 38 HA VAL 38 -10.355 -2.200 3.476 277 HB VAL 38 HB VAL 38 -8.096 -3.630 2.066 278 HG11 VAL 38 1HG1 VAL 38 -9.250 -5.555 3.479 279 HG12 VAL 38 2HG1 VAL 38 -8.030 -4.479 4.202 280 HG13 VAL 38 3HG1 VAL 38 -9.762 -4.186 4.494 281 HG21 VAL 38 1HG2 VAL 38 -10.718 -4.921 1.973 282 HG22 VAL 38 2HG2 VAL 38 -10.695 -3.358 1.121 283 HG23 VAL 38 3HG2 VAL 38 -9.536 -4.634 0.674 284 H VAL 39 H VAL 39 -6.930 -1.856 2.293 285 HA VAL 39 HA VAL 39 -5.709 -1.563 4.683 286 HB VAL 39 HB VAL 39 -5.147 -0.070 2.113 287 HG11 VAL 39 1HG1 VAL 39 -3.592 0.987 3.348 288 HG12 VAL 39 2HG1 VAL 39 -3.756 -0.154 4.704 289 HG13 VAL 39 3HG1 VAL 39 -2.719 -0.564 3.316 290 HG21 VAL 39 1HG2 VAL 39 -4.952 -2.207 1.368 291 HG22 VAL 39 2HG2 VAL 39 -3.359 -2.094 2.153 292 HG23 VAL 39 3HG2 VAL 39 -4.716 -2.874 3.001 293 H ALA 40 H ALA 40 -7.192 1.102 2.711 294 HA ALA 40 HA ALA 40 -6.642 3.244 4.218 295 HB1 ALA 40 1HB ALA 40 -7.915 3.558 2.260 296 HB2 ALA 40 2HB ALA 40 -9.158 2.390 2.769 297 HB3 ALA 40 3HB ALA 40 -9.049 3.978 3.566 298 H GLU 41 H GLU 41 -9.154 0.743 4.918 299 HA GLU 41 HA GLU 41 -10.042 2.084 7.228 300 HB2 GLU 41 1HB GLU 41 -10.379 -0.880 6.634 301 HB3 GLU 41 2HB GLU 41 -11.432 0.147 7.586 302 HG2 GLU 41 1HG GLU 41 -11.120 1.297 4.932 303 HG3 GLU 41 2HG GLU 41 -11.580 -0.387 4.779 304 H LYS 42 H LYS 42 -7.789 -0.665 6.576 305 HA LYS 42 HA LYS 42 -7.317 -1.424 9.179 306 HB2 LYS 42 1HB LYS 42 -6.151 -1.848 6.568 307 HB3 LYS 42 2HB LYS 42 -4.883 -1.678 7.765 308 HG2 LYS 42 1HG LYS 42 -5.597 -4.040 7.590 309 HG3 LYS 42 2HG LYS 42 -5.950 -3.410 9.186 310 HD2 LYS 42 1HD LYS 42 -8.054 -4.227 8.832 311 HD3 LYS 42 2HD LYS 42 -8.290 -2.785 7.865 312 HE2 LYS 42 1HE LYS 42 -8.863 -4.341 6.255 313 HE3 LYS 42 2HE LYS 42 -7.135 -4.323 5.963 314 HZ1 LYS 42 1HZ LYS 42 -6.905 -6.211 7.395 315 HZ2 LYS 42 2HZ LYS 42 -8.494 -6.201 7.770 316 HZ3 LYS 42 3HZ LYS 42 -8.016 -6.549 6.248 317 H ILE 43 H ILE 43 -6.306 1.463 7.412 318 HA ILE 43 HA ILE 43 -4.545 2.164 9.647 319 HB ILE 43 HB ILE 43 -3.326 3.480 8.228 320 HG12 ILE 43 1HG1 ILE 43 -5.580 3.547 6.203 321 HG13 ILE 43 2HG1 ILE 43 -5.324 4.778 7.424 322 HG21 ILE 43 1HG2 ILE 43 -2.603 2.094 6.535 323 HG22 ILE 43 2HG2 ILE 43 -3.473 0.950 7.585 324 HG23 ILE 43 3HG2 ILE 43 -4.249 1.569 6.108 325 HD11 ILE 43 1HD1 ILE 43 -2.856 4.848 6.475 326 HD12 ILE 43 2HD1 ILE 43 -3.589 4.075 5.049 327 HD13 ILE 43 3HD1 ILE 43 -4.162 5.671 5.590 328 H GLN 44 H GLN 44 -7.650 2.711 8.197 329 HA GLN 44 HA GLN 44 -9.331 3.918 8.895 330 HB2 GLN 44 1HB GLN 44 -7.548 5.264 10.965 331 HB3 GLN 44 2HB GLN 44 -9.298 5.176 10.975 332 HG2 GLN 44 1HG GLN 44 -9.018 2.595 11.024 333 HG3 GLN 44 2HG GLN 44 -7.325 2.889 11.372 334 HE21 GLN 44 1HE2 GLN 44 -10.548 2.891 12.546 335 HE22 GLN 44 2HE2 GLN 44 -10.241 3.323 14.195 336 H TYR 45 H TYR 45 -8.372 4.720 6.613 337 HA TYR 45 HA TYR 45 -8.250 7.639 6.847 338 HB2 TYR 45 1HB TYR 45 -6.220 5.717 5.976 339 HB3 TYR 45 2HB TYR 45 -6.741 6.622 4.569 340 HD1 TYR 45 1HD TYR 45 -5.054 6.828 7.832 341 HD2 TYR 45 2HD TYR 45 -6.280 9.013 4.364 342 HE1 TYR 45 1HE TYR 45 -3.530 8.751 8.497 343 HE2 TYR 45 2HE TYR 45 -4.752 10.929 5.041 344 HH TYR 45 HH TYR 45 -2.492 10.588 7.675 345 H ALA 46 H ALA 46 -7.966 8.061 4.008 346 HA ALA 46 HA ALA 46 -10.556 6.991 3.117 347 HB1 ALA 46 1HB ALA 46 -9.480 9.458 1.865 348 HB2 ALA 46 2HB ALA 46 -11.132 9.074 2.403 349 HB3 ALA 46 3HB ALA 46 -9.912 9.607 3.585 350 H GLU 47 H GLU 47 -10.084 5.264 1.815 351 HA GLU 47 HA GLU 47 -7.787 4.756 0.543 352 HB2 GLU 47 1HB GLU 47 -9.215 3.413 -1.096 353 HB3 GLU 47 2HB GLU 47 -9.490 3.078 0.602 354 HG2 GLU 47 1HG GLU 47 -11.477 4.557 0.610 355 HG3 GLU 47 2HG GLU 47 -11.176 5.015 -1.055 356 H GLU 48 H GLU 48 -10.495 6.827 -0.618 357 HA GLU 48 HA GLU 48 -9.562 7.184 -3.186 358 HB2 GLU 48 1HB GLU 48 -11.032 9.163 -3.233 359 HB3 GLU 48 2HB GLU 48 -11.829 7.823 -2.433 360 HG2 GLU 48 1HG GLU 48 -10.860 8.856 -0.216 361 HG3 GLU 48 2HG GLU 48 -10.604 10.301 -1.174 362 H ASP 49 H ASP 49 -8.625 8.681 -0.091 363 HA ASP 49 HA ASP 49 -7.081 10.684 -1.432 364 HB2 ASP 49 1HB ASP 49 -7.420 9.894 1.495 365 HB3 ASP 49 2HB ASP 49 -6.335 11.173 0.989 366 H LEU 50 H LEU 50 -6.764 7.393 -0.824 367 HA LEU 50 HA LEU 50 -3.877 7.581 -0.338 368 HB2 LEU 50 1HB LEU 50 -5.812 5.305 0.108 369 HB3 LEU 50 2HB LEU 50 -4.075 5.193 0.314 370 HG LEU 50 HG LEU 50 -5.992 6.903 1.918 371 HD11 LEU 50 1HD1 LEU 50 -4.429 4.392 2.508 372 HD12 LEU 50 2HD1 LEU 50 -5.014 5.467 3.800 373 HD13 LEU 50 3HD1 LEU 50 -6.173 4.699 2.689 374 HD21 LEU 50 1HD2 LEU 50 -4.260 8.305 2.159 375 HD22 LEU 50 2HD2 LEU 50 -3.609 7.052 3.244 376 HD23 LEU 50 3HD2 LEU 50 -3.080 7.121 1.546 377 H ALA 51 H ALA 51 -2.836 5.373 -1.397 378 HA ALA 51 HA ALA 51 -3.895 4.556 -3.857 379 HB1 ALA 51 1HB ALA 51 -1.814 5.846 -5.054 380 HB2 ALA 51 2HB ALA 51 -3.480 6.473 -5.021 381 HB3 ALA 51 3HB ALA 51 -2.285 7.057 -3.838 382 H LEU 52 H LEU 52 -2.708 2.793 -4.642 383 HA LEU 52 HA LEU 52 -0.651 1.876 -2.841 384 HB2 LEU 52 1HB LEU 52 -1.915 0.571 -5.255 385 HB3 LEU 52 2HB LEU 52 -0.815 -0.202 -4.131 386 HG LEU 52 HG LEU 52 -2.861 -0.960 -3.396 387 HD11 LEU 52 1HD1 LEU 52 -2.762 1.559 -1.741 388 HD12 LEU 52 2HD1 LEU 52 -3.219 -0.090 -1.251 389 HD13 LEU 52 3HD1 LEU 52 -1.519 0.293 -1.611 390 HD21 LEU 52 1HD2 LEU 52 -4.876 -0.051 -3.815 391 HD22 LEU 52 2HD2 LEU 52 -4.370 1.579 -3.309 392 HD23 LEU 52 3HD2 LEU 52 -3.959 0.984 -4.935 393 H VAL 53 H VAL 53 1.453 2.365 -3.104 394 HA VAL 53 HA VAL 53 2.334 2.934 -5.850 395 HB VAL 53 HB VAL 53 3.566 4.673 -5.112 396 HG11 VAL 53 1HG1 VAL 53 2.295 6.047 -3.736 397 HG12 VAL 53 2HG1 VAL 53 1.096 4.848 -4.278 398 HG13 VAL 53 3HG1 VAL 53 1.822 4.710 -2.659 399 HG21 VAL 53 1HG2 VAL 53 5.142 3.582 -3.740 400 HG22 VAL 53 2HG2 VAL 53 4.423 4.833 -2.698 401 HG23 VAL 53 3HG2 VAL 53 3.913 3.135 -2.532 402 H ALA 54 H ALA 54 3.861 1.604 -6.707 403 HA ALA 54 HA ALA 54 4.956 -0.422 -4.911 404 HB1 ALA 54 1HB ALA 54 3.791 -0.512 -7.455 405 HB2 ALA 54 2HB ALA 54 5.533 -0.707 -7.765 406 HB3 ALA 54 3HB ALA 54 4.695 -1.821 -6.658 407 H ILE 55 H ILE 55 7.262 -0.969 -5.041 408 HA ILE 55 HA ILE 55 8.898 1.203 -6.125 409 HB ILE 55 HB ILE 55 9.286 -0.002 -3.385 410 HG12 ILE 55 1HG1 ILE 55 7.763 2.418 -4.283 411 HG13 ILE 55 2HG1 ILE 55 7.371 1.245 -3.041 412 HG21 ILE 55 1HG2 ILE 55 11.305 0.832 -4.646 413 HG22 ILE 55 2HG2 ILE 55 10.576 2.454 -4.590 414 HG23 ILE 55 3HG2 ILE 55 10.997 1.615 -3.078 415 HD11 ILE 55 1HD1 ILE 55 9.538 3.388 -2.892 416 HD12 ILE 55 2HD1 ILE 55 8.025 3.329 -1.956 417 HD13 ILE 55 3HD1 ILE 55 9.302 2.124 -1.662 418 H THR 56 H THR 56 11.127 0.551 -6.601 419 HA THR 56 HA THR 56 11.228 -2.320 -7.203 420 HB THR 56 HB THR 56 11.397 -0.734 -9.115 421 HG1 THR 56 1HG THR 56 12.707 -2.656 -9.190 422 HG21 THR 56 1HG2 THR 56 13.390 0.729 -9.309 423 HG22 THR 56 2HG2 THR 56 12.438 1.209 -7.885 424 HG23 THR 56 3HG2 THR 56 13.921 0.247 -7.680 425 H PHE 57 H PHE 57 13.602 -3.192 -7.242 426 HA PHE 57 HA PHE 57 14.429 -3.367 -4.632 427 HB2 PHE 57 1HB PHE 57 14.960 -4.802 -6.732 428 HB3 PHE 57 2HB PHE 57 16.125 -3.576 -7.190 429 HD1 PHE 57 2HD PHE 57 18.007 -3.062 -5.492 430 HD2 PHE 57 1HD PHE 57 15.602 -6.556 -5.337 431 HE1 PHE 57 2HE PHE 57 19.757 -4.206 -4.103 432 HE2 PHE 57 1HE PHE 57 17.353 -7.699 -3.949 433 HZ PHE 57 HZ PHE 57 19.409 -6.511 -3.348 434 H SER 58 H SER 58 16.095 -1.548 -7.314 435 HA SER 58 HA SER 58 18.097 -0.459 -5.992 436 HB2 SER 58 1HB SER 58 16.765 0.066 -8.393 437 HB3 SER 58 2HB SER 58 16.685 1.606 -7.561 438 HG SER 58 HG SER 58 18.711 0.827 -8.954 439 H GLY 59 H GLY 59 14.845 1.175 -6.240 440 HA2 GLY 59 1HA GLY 59 14.017 1.770 -3.901 441 HA3 GLY 59 2HA GLY 59 15.512 2.676 -3.789 442 H GLU 60 H GLU 60 12.602 2.255 -5.915 443 HA GLU 60 HA GLU 60 12.561 5.137 -6.173 444 HB2 GLU 60 1HB GLU 60 12.699 3.161 -8.470 445 HB3 GLU 60 2HB GLU 60 11.927 4.720 -8.683 446 HG2 GLU 60 1HG GLU 60 14.030 5.851 -7.894 447 HG3 GLU 60 2HG GLU 60 14.798 4.285 -7.728 448 H LYS 61 H LYS 61 10.519 5.910 -5.798 449 HA LYS 61 HA LYS 61 8.433 4.045 -5.306 450 HB2 LYS 61 1HB LYS 61 8.693 7.045 -5.211 451 HB3 LYS 61 2HB LYS 61 7.125 6.282 -5.046 452 HG2 LYS 61 1HG LYS 61 7.850 5.011 -3.101 453 HG3 LYS 61 2HG LYS 61 9.525 5.458 -3.355 454 HD2 LYS 61 1HD LYS 61 8.170 7.932 -3.213 455 HD3 LYS 61 2HD LYS 61 7.389 6.948 -1.991 456 HE2 LYS 61 1HE LYS 61 9.588 6.418 -0.968 457 HE3 LYS 61 2HE LYS 61 10.415 7.313 -2.228 458 HZ1 LYS 61 1HZ LYS 61 10.162 8.694 -0.343 459 HZ2 LYS 61 2HZ LYS 61 9.159 9.277 -1.493 460 HZ3 LYS 61 3HZ LYS 61 8.556 8.418 -0.242 461 H HIS 62 H HIS 62 6.416 3.823 -6.428 462 HA HIS 62 HA HIS 62 6.200 5.109 -8.994 463 HB2 HIS 62 1HB HIS 62 7.417 2.569 -8.818 464 HB3 HIS 62 2HB HIS 62 5.792 2.274 -9.402 465 HD1 HIS 62 1HD HIS 62 8.658 4.697 -10.237 466 HD2 HIS 62 2HD HIS 62 5.607 2.511 -12.110 467 HE1 HIS 62 1HE HIS 62 8.929 5.093 -12.743 468 H GLU 63 H GLU 63 4.141 5.843 -9.008 469 HA GLU 63 HA GLU 63 2.229 4.446 -7.365 470 HB2 GLU 63 1HB GLU 63 2.570 7.188 -8.399 471 HB3 GLU 63 2HB GLU 63 0.919 6.620 -8.541 472 HG2 GLU 63 1HG GLU 63 0.691 7.209 -6.353 473 HG3 GLU 63 2HG GLU 63 1.591 5.751 -5.989 474 H LEU 64 H LEU 64 0.050 3.883 -8.211 475 HA LEU 64 HA LEU 64 0.044 3.489 -11.115 476 HB2 LEU 64 1HB LEU 64 -1.106 1.370 -9.371 477 HB3 LEU 64 2HB LEU 64 -0.450 1.264 -10.992 478 HG LEU 64 HG LEU 64 1.786 1.926 -9.535 479 HD11 LEU 64 1HD1 LEU 64 -0.153 0.972 -7.646 480 HD12 LEU 64 2HD1 LEU 64 1.179 -0.202 -7.776 481 HD13 LEU 64 3HD1 LEU 64 1.526 1.497 -7.377 482 HD21 LEU 64 1HD2 LEU 64 0.640 -0.612 -10.616 483 HD22 LEU 64 2HD2 LEU 64 2.102 0.284 -11.092 484 HD23 LEU 64 3HD2 LEU 64 2.105 -0.701 -9.609 485 H GLN 65 H GLN 65 -2.548 2.067 -10.941 486 HA GLN 65 HA GLN 65 -4.147 4.387 -10.187 487 HB2 GLN 65 1HB GLN 65 -4.305 2.454 -12.491 488 HB3 GLN 65 2HB GLN 65 -5.804 3.131 -11.885 489 HG2 GLN 65 1HG GLN 65 -3.970 5.315 -12.050 490 HG3 GLN 65 2HG GLN 65 -3.760 4.399 -13.529 491 HE21 GLN 65 1HE2 GLN 65 -6.032 6.110 -11.484 492 HE22 GLN 65 2HE2 GLN 65 -7.259 6.401 -12.672 493 HA PRO 66 HA PRO 66 -6.465 1.835 -7.550 494 HB2 PRO 66 1HB PRO 66 -9.014 2.800 -7.753 495 HB3 PRO 66 2HB PRO 66 -7.765 3.583 -6.805 496 HG2 PRO 66 1HG PRO 66 -8.871 4.376 -9.430 497 HG3 PRO 66 2HG PRO 66 -7.958 5.340 -8.287 498 HD2 PRO 66 1HD PRO 66 -6.980 4.179 -10.721 499 HD3 PRO 66 2HD PRO 66 -6.041 5.045 -9.521 500 H ASN 67 H ASN 67 -6.798 1.560 -10.800 501 HA ASN 67 HA ASN 67 -8.675 -0.638 -10.456 502 HB2 ASN 67 1HB ASN 67 -8.494 -0.403 -13.159 503 HB3 ASN 67 2HB ASN 67 -9.618 0.555 -12.215 504 HD21 ASN 67 1HD2 ASN 67 -9.526 2.673 -12.338 505 HD22 ASN 67 2HD2 ASN 67 -8.237 3.622 -12.999 506 H ASP 68 H ASP 68 -5.402 0.063 -10.545 507 HA ASP 68 HA ASP 68 -4.473 -1.776 -12.434 508 HB2 ASP 68 1HB ASP 68 -3.248 0.200 -11.242 509 HB3 ASP 68 2HB ASP 68 -2.991 -0.917 -9.917 510 H LEU 69 H LEU 69 -3.327 -3.868 -11.913 511 HA LEU 69 HA LEU 69 -4.800 -5.355 -9.953 512 HB2 LEU 69 1HB LEU 69 -2.749 -6.003 -12.048 513 HB3 LEU 69 2HB LEU 69 -3.187 -7.185 -10.831 514 HG LEU 69 HG LEU 69 -4.557 -7.752 -12.603 515 HD11 LEU 69 1HD1 LEU 69 -5.813 -7.335 -10.450 516 HD12 LEU 69 2HD1 LEU 69 -6.368 -5.803 -11.165 517 HD13 LEU 69 3HD1 LEU 69 -6.795 -7.351 -11.934 518 HD21 LEU 69 1HD2 LEU 69 -5.453 -4.932 -13.151 519 HD22 LEU 69 2HD2 LEU 69 -3.932 -5.561 -13.830 520 HD23 LEU 69 3HD2 LEU 69 -5.476 -6.358 -14.217 521 H VAL 70 H VAL 70 -4.034 -6.256 -8.026 522 HA VAL 70 HA VAL 70 -1.473 -5.123 -7.143 523 HB VAL 70 HB VAL 70 -2.789 -5.951 -4.889 524 HG11 VAL 70 1HG1 VAL 70 -1.632 -3.857 -5.047 525 HG12 VAL 70 2HG1 VAL 70 -2.780 -3.247 -6.263 526 HG13 VAL 70 3HG1 VAL 70 -3.316 -3.508 -4.586 527 HG21 VAL 70 1HG2 VAL 70 -4.832 -6.475 -6.137 528 HG22 VAL 70 2HG2 VAL 70 -5.091 -5.099 -5.039 529 HG23 VAL 70 3HG2 VAL 70 -4.875 -4.817 -6.783 530 H ILE 71 H ILE 71 -1.602 -7.464 -8.829 531 HA ILE 71 HA ILE 71 -0.452 -9.361 -6.939 532 HB ILE 71 HB ILE 71 -1.607 -11.204 -8.249 533 HG12 ILE 71 1HG1 ILE 71 -4.018 -10.044 -8.901 534 HG13 ILE 71 2HG1 ILE 71 -2.874 -8.838 -9.457 535 HG21 ILE 71 1HG2 ILE 71 -3.404 -9.469 -6.539 536 HG22 ILE 71 2HG2 ILE 71 -3.480 -11.233 -6.767 537 HG23 ILE 71 3HG2 ILE 71 -2.108 -10.507 -5.896 538 HD11 ILE 71 1HD1 ILE 71 -2.803 -11.807 -10.170 539 HD12 ILE 71 2HD1 ILE 71 -3.334 -10.487 -11.240 540 HD13 ILE 71 3HD1 ILE 71 -1.632 -10.588 -10.729 541 H SER 72 H SER 72 -1.099 -8.458 -10.384 542 HA SER 72 HA SER 72 0.975 -9.973 -11.415 543 HB2 SER 72 1HB SER 72 -1.016 -8.746 -12.591 544 HB3 SER 72 2HB SER 72 0.043 -7.350 -12.626 545 HG SER 72 HG SER 72 0.832 -8.215 -14.416 546 H LYS 73 H LYS 73 3.176 -9.520 -11.825 547 HA LYS 73 HA LYS 73 4.150 -6.867 -11.161 548 HB2 LYS 73 1HB LYS 73 4.529 -9.249 -9.466 549 HB3 LYS 73 2HB LYS 73 6.016 -8.419 -9.875 550 HG2 LYS 73 1HG LYS 73 3.583 -6.881 -8.891 551 HG3 LYS 73 2HG LYS 73 4.699 -7.622 -7.762 552 HD2 LYS 73 1HD LYS 73 6.577 -6.369 -9.069 553 HD3 LYS 73 2HD LYS 73 5.284 -5.439 -9.800 554 HE2 LYS 73 1HE LYS 73 4.584 -4.534 -7.684 555 HE3 LYS 73 2HE LYS 73 5.488 -5.731 -6.777 556 HZ1 LYS 73 1HZ LYS 73 7.031 -4.094 -8.572 557 HZ2 LYS 73 2HZ LYS 73 6.394 -3.320 -7.283 558 HZ3 LYS 73 3HZ LYS 73 7.383 -4.601 -7.060 559 H SER 74 H SER 74 6.811 -7.143 -11.449 560 HA SER 74 HA SER 74 7.056 -7.561 -14.178 561 HB2 SER 74 1HB SER 74 8.972 -7.073 -11.900 562 HB3 SER 74 2HB SER 74 9.632 -7.544 -13.453 563 HG SER 74 HG SER 74 9.545 -5.338 -13.593 564 H LEU 75 H LEU 75 9.424 -9.154 -12.018 565 HA LEU 75 HA LEU 75 8.475 -11.781 -12.459 566 HB2 LEU 75 1HB LEU 75 10.536 -12.440 -13.837 567 HB3 LEU 75 2HB LEU 75 9.145 -11.747 -14.648 568 HG LEU 75 HG LEU 75 11.574 -10.977 -15.250 569 HD11 LEU 75 1HD1 LEU 75 10.185 -8.493 -15.135 570 HD12 LEU 75 2HD1 LEU 75 10.389 -9.598 -16.516 571 HD13 LEU 75 3HD1 LEU 75 8.993 -9.782 -15.428 572 HD21 LEU 75 1HD2 LEU 75 12.020 -10.421 -12.787 573 HD22 LEU 75 2HD2 LEU 75 12.525 -9.233 -14.013 574 HD23 LEU 75 3HD2 LEU 75 11.039 -8.963 -13.071 575 H GLU 76 H GLU 76 9.317 -9.951 -10.308 576 HA GLU 76 HA GLU 76 11.547 -11.564 -9.345 577 HB2 GLU 76 1HB GLU 76 12.428 -9.604 -8.156 578 HB3 GLU 76 2HB GLU 76 12.312 -9.263 -9.871 579 HG2 GLU 76 1HG GLU 76 10.730 -7.634 -9.570 580 HG3 GLU 76 2HG GLU 76 9.834 -8.584 -8.401 581 H ALA 77 H ALA 77 8.674 -12.070 -9.077 582 HA ALA 77 HA ALA 77 7.191 -12.635 -7.537 583 HB1 ALA 77 1HB ALA 77 8.238 -13.878 -5.988 584 HB2 ALA 77 2HB ALA 77 9.764 -13.041 -6.357 585 HB3 ALA 77 3HB ALA 77 8.684 -12.406 -5.092 586 H SER 78 H SER 78 6.176 -11.838 -5.280 587 HA SER 78 HA SER 78 5.278 -9.319 -5.710 588 HB2 SER 78 1HB SER 78 5.119 -11.321 -3.594 589 HB3 SER 78 2HB SER 78 5.167 -9.714 -2.897 590 HG SER 78 HG SER 78 2.984 -10.394 -3.385 591 H GLY 79 H GLY 79 6.740 -7.628 -6.027 592 HA2 GLY 79 1HA GLY 79 9.160 -7.293 -4.676 593 HA3 GLY 79 2HA GLY 79 8.263 -6.053 -5.529 594 H ARG 80 H ARG 80 7.761 -4.305 -4.293 595 HA ARG 80 HA ARG 80 6.799 -4.832 -1.626 596 HB2 ARG 80 1HB ARG 80 8.245 -2.820 -0.826 597 HB3 ARG 80 2HB ARG 80 9.068 -4.348 -1.067 598 HG2 ARG 80 1HG ARG 80 9.147 -3.119 -3.608 599 HG3 ARG 80 2HG ARG 80 9.423 -1.799 -2.490 600 HD2 ARG 80 1HD ARG 80 11.562 -2.495 -2.195 601 HD3 ARG 80 2HD ARG 80 10.980 -4.010 -1.533 602 HE ARG 80 HE ARG 80 11.884 -3.532 -4.300 603 HH11 ARG 80 2HH2 ARG 80 10.194 -5.696 -2.099 604 HH12 ARG 80 1HH2 ARG 80 10.395 -7.088 -3.109 605 HH21 ARG 80 2HH1 ARG 80 12.150 -5.368 -5.634 606 HH22 ARG 80 1HH1 ARG 80 11.515 -6.900 -5.134 607 H ILE 81 H ILE 81 4.785 -3.877 -1.670 608 HA ILE 81 HA ILE 81 4.535 -1.374 -3.180 609 HB ILE 81 HB ILE 81 2.531 -3.517 -2.482 610 HG12 ILE 81 1HG1 ILE 81 2.307 -3.366 -5.082 611 HG13 ILE 81 2HG1 ILE 81 3.890 -2.617 -5.012 612 HG21 ILE 81 1HG2 ILE 81 0.880 -2.134 -3.708 613 HG22 ILE 81 2HG2 ILE 81 1.427 -1.393 -2.186 614 HG23 ILE 81 3HG2 ILE 81 2.059 -0.802 -3.741 615 HD11 ILE 81 1HD1 ILE 81 4.792 -4.690 -4.900 616 HD12 ILE 81 2HD1 ILE 81 4.064 -4.863 -3.285 617 HD13 ILE 81 3HD1 ILE 81 3.181 -5.426 -4.724 618 H TYR 82 H TYR 82 3.094 0.301 -2.231 619 HA TYR 82 HA TYR 82 2.696 0.076 0.637 620 HB2 TYR 82 1HB TYR 82 4.282 2.309 -0.777 621 HB3 TYR 82 2HB TYR 82 3.995 2.212 0.949 622 HD1 TYR 82 1HD TYR 82 5.760 0.557 -1.879 623 HD2 TYR 82 2HD TYR 82 5.438 0.963 2.368 624 HE1 TYR 82 1HE TYR 82 7.927 -0.738 -1.583 625 HE2 TYR 82 2HE TYR 82 7.607 -0.333 2.649 626 HH TYR 82 HH TYR 82 9.720 -0.877 0.123 627 H VAL 83 H VAL 83 1.731 2.357 1.412 628 HA VAL 83 HA VAL 83 -0.013 3.361 -0.718 629 HB VAL 83 HB VAL 83 -1.400 1.827 0.372 630 HG11 VAL 83 1HG1 VAL 83 0.224 1.539 2.333 631 HG12 VAL 83 2HG1 VAL 83 -0.648 2.885 3.105 632 HG13 VAL 83 3HG1 VAL 83 -1.513 1.385 2.689 633 HG21 VAL 83 1HG2 VAL 83 -2.522 3.755 2.131 634 HG22 VAL 83 2HG2 VAL 83 -1.831 4.642 0.752 635 HG23 VAL 83 3HG2 VAL 83 -3.023 3.351 0.471 636 H TYR 84 H TYR 84 -0.128 5.566 -0.789 637 HA TYR 84 HA TYR 84 1.019 6.984 1.522 638 HB2 TYR 84 1HB TYR 84 1.086 7.344 -1.527 639 HB3 TYR 84 2HB TYR 84 1.482 8.684 -0.470 640 HD1 TYR 84 1HD TYR 84 2.381 5.031 -0.526 641 HD2 TYR 84 2HD TYR 84 3.759 9.079 -0.378 642 HE1 TYR 84 1HE TYR 84 4.785 4.215 -0.383 643 HE2 TYR 84 2HE TYR 84 6.158 8.249 -0.235 644 HH TYR 84 HH TYR 84 7.410 6.442 0.237 645 H ARG 85 H ARG 85 0.134 9.126 1.977 646 HA ARG 85 HA ARG 85 -2.670 9.165 1.307 647 HB2 ARG 85 1HB ARG 85 -2.688 11.034 3.097 648 HB3 ARG 85 2HB ARG 85 -2.284 9.424 3.659 649 HG2 ARG 85 1HG ARG 85 -0.144 10.019 4.212 650 HG3 ARG 85 2HG ARG 85 0.088 10.925 2.730 651 HD2 ARG 85 1HD ARG 85 -1.650 12.614 3.946 652 HD3 ARG 85 2HD ARG 85 -0.983 11.863 5.383 653 HE ARG 85 HE ARG 85 0.421 13.653 3.535 654 HH11 ARG 85 2HH2 ARG 85 0.808 11.161 5.989 655 HH12 ARG 85 1HH2 ARG 85 2.422 11.636 6.400 656 HH21 ARG 85 2HH1 ARG 85 2.550 14.281 4.077 657 HH22 ARG 85 1HH1 ARG 85 3.420 13.423 5.305 658 H LYS 86 H LYS 86 -3.624 10.791 0.043 659 HA LYS 86 HA LYS 86 -1.856 12.399 -1.505 660 HB2 LYS 86 1HB LYS 86 -4.882 12.243 -1.380 661 HB3 LYS 86 2HB LYS 86 -3.985 13.194 -2.547 662 HG2 LYS 86 1HG LYS 86 -2.785 10.625 -2.635 663 HG3 LYS 86 2HG LYS 86 -4.505 10.309 -2.520 664 HD2 LYS 86 1HD LYS 86 -4.416 10.590 -4.804 665 HD3 LYS 86 2HD LYS 86 -4.586 12.282 -4.383 666 HE2 LYS 86 1HE LYS 86 -2.688 12.504 -5.669 667 HE3 LYS 86 2HE LYS 86 -1.881 12.076 -4.173 668 HZ1 LYS 86 1HZ LYS 86 -1.964 9.763 -4.892 669 HZ2 LYS 86 2HZ LYS 86 -2.639 10.208 -6.310 670 HZ3 LYS 86 3HZ LYS 86 -1.124 10.693 -5.940 671 H ASP 87 H ASP 87 -2.048 14.789 -1.714 672 HA ASP 87 HA ASP 87 -2.827 15.958 0.839 673 HB2 ASP 87 1HB ASP 87 -0.390 16.550 -0.897 674 HB3 ASP 87 2HB ASP 87 -0.922 17.632 0.375 675 H LEU 88 H LEU 88 -2.431 18.673 0.188 676 HA LEU 88 HA LEU 88 -4.652 19.436 -1.108 677 HB2 LEU 88 1HB LEU 88 -1.966 20.814 -1.051 678 HB3 LEU 88 2HB LEU 88 -3.455 21.581 -1.566 679 HG LEU 88 HG LEU 88 -3.087 22.263 0.663 680 HD11 LEU 88 1HD1 LEU 88 -5.403 21.089 -0.074 681 HD12 LEU 88 2HD1 LEU 88 -5.006 20.119 1.364 682 HD13 LEU 88 3HD1 LEU 88 -5.149 21.888 1.496 683 HD21 LEU 88 1HD2 LEU 88 -1.533 20.147 1.028 684 HD22 LEU 88 2HD2 LEU 88 -2.261 21.026 2.393 685 HD23 LEU 88 3HD2 LEU 88 -2.997 19.511 1.817 686 H ALA 89 H ALA 89 -1.629 18.260 -2.556 687 HA ALA 89 HA ALA 89 -2.873 18.640 -5.195 688 HB1 ALA 89 1HB ALA 89 -0.336 19.478 -4.181 689 HB2 ALA 89 2HB ALA 89 -0.040 18.179 -5.361 690 HB3 ALA 89 3HB ALA 89 -0.962 19.624 -5.840 691 H ASP 90 H ASP 90 -1.104 16.926 -6.614 692 HA ASP 90 HA ASP 90 -2.163 14.421 -5.682 693 HB2 ASP 90 1HB ASP 90 -0.913 15.447 -8.235 694 HB3 ASP 90 2HB ASP 90 -0.897 13.719 -7.944 695 H THR 91 H THR 91 -0.089 15.551 -4.030 696 HA THR 91 HA THR 91 2.344 14.115 -4.790 697 HB THR 91 HB THR 91 2.121 15.836 -2.327 698 HG1 THR 91 1HG THR 91 1.601 17.592 -3.596 699 HG21 THR 91 1HG2 THR 91 4.090 15.508 -4.645 700 HG22 THR 91 2HG2 THR 91 4.234 16.807 -3.436 701 HG23 THR 91 3HG2 THR 91 4.361 15.105 -2.932 702 H LEU 92 H LEU 92 3.446 12.718 -3.273 703 HA LEU 92 HA LEU 92 1.646 11.605 -1.248 704 HB2 LEU 92 1HB LEU 92 3.104 10.130 -3.431 705 HB3 LEU 92 2HB LEU 92 2.614 9.341 -1.945 706 HG LEU 92 HG LEU 92 0.803 10.632 -4.001 707 HD11 LEU 92 1HD1 LEU 92 0.775 8.634 -4.959 708 HD12 LEU 92 2HD1 LEU 92 1.874 7.991 -3.716 709 HD13 LEU 92 3HD1 LEU 92 0.113 7.937 -3.461 710 HD21 LEU 92 1HD2 LEU 92 -0.668 10.974 -2.370 711 HD22 LEU 92 2HD2 LEU 92 -0.782 9.206 -2.203 712 HD23 LEU 92 3HD2 LEU 92 0.347 10.126 -1.179 713 H ASN 93 H ASN 93 2.636 11.049 0.683 714 HA ASN 93 HA ASN 93 5.529 11.405 0.695 715 HB2 ASN 93 1HB ASN 93 3.426 12.426 2.658 716 HB3 ASN 93 2HB ASN 93 5.101 12.250 3.142 717 HD21 ASN 93 1HD2 ASN 93 2.966 13.719 0.735 718 HD22 ASN 93 2HD2 ASN 93 3.932 15.114 0.391 719 HA PRO 94 HA PRO 94 5.407 7.589 2.856 720 HB2 PRO 94 1HB PRO 94 7.813 7.609 4.153 721 HB3 PRO 94 2HB PRO 94 7.640 7.192 2.460 722 HG2 PRO 94 1HG PRO 94 8.685 9.684 3.658 723 HG3 PRO 94 2HG PRO 94 8.892 9.080 2.026 724 HD2 PRO 94 1HD PRO 94 7.124 11.176 2.868 725 HD3 PRO 94 2HD PRO 94 7.248 10.492 1.259 726 H PHE 95 H PHE 95 3.877 7.217 4.331 727 HA PHE 95 HA PHE 95 3.264 8.838 6.386 728 HB2 PHE 95 1HB PHE 95 3.177 5.865 5.814 729 HB3 PHE 95 2HB PHE 95 2.798 6.339 7.458 730 HD1 PHE 95 2HD PHE 95 1.138 8.547 7.446 731 HD2 PHE 95 1HD PHE 95 1.342 5.517 4.482 732 HE1 PHE 95 2HE PHE 95 -1.217 9.067 6.752 733 HE2 PHE 95 1HE PHE 95 -1.013 6.037 3.788 734 HZ PHE 95 HZ PHE 95 -2.265 7.806 4.932 735 H ALA 96 H ALA 96 3.495 8.378 8.832 736 HA ALA 96 HA ALA 96 4.765 8.277 10.641 737 HB1 ALA 96 1HB ALA 96 5.898 6.326 10.950 738 HB2 ALA 96 2HB ALA 96 5.218 5.904 9.360 739 HB3 ALA 96 3HB ALA 96 6.876 6.541 9.479 740 H GLU 97 H GLU 97 7.139 8.723 11.466 741 HA GLU 97 HA GLU 97 8.926 9.966 11.464 742 HB2 GLU 97 1HB GLU 97 8.927 8.997 8.842 743 HB3 GLU 97 2HB GLU 97 9.085 10.727 8.617 744 HG2 GLU 97 1HG GLU 97 11.265 10.621 9.221 745 HG3 GLU 97 2HG GLU 97 10.809 10.015 10.800 746 H ASN 98 H ASN 98 7.229 11.397 12.548 747 HA ASN 98 HA ASN 98 7.550 13.992 11.601 748 HB2 ASN 98 1HB ASN 98 5.199 14.569 11.074 749 HB3 ASN 98 2HB ASN 98 5.753 13.307 9.991 750 HD21 ASN 98 1HD2 ASN 98 3.241 14.286 11.784 751 HD22 ASN 98 2HD2 ASN 98 2.453 12.788 12.151 752 H SER 99 H SER 99 6.749 15.533 13.251 753 HA SER 99 HA SER 99 6.650 14.420 15.800 754 HB2 SER 99 1HB SER 99 6.336 16.719 16.573 755 HB3 SER 99 2HB SER 99 7.518 16.698 15.280 756 HG SER 99 HG SER 99 6.189 18.343 14.669 757 H GLY 100 H GLY 100 4.885 14.350 17.350 758 HA2 GLY 100 1HA GLY 100 2.209 15.000 16.456 759 HA3 GLY 100 2HA GLY 100 2.536 13.284 16.597 760 HA PRO 101 HA PRO 101 1.712 15.236 20.757 761 HB2 PRO 101 1HB PRO 101 -0.996 14.992 21.032 762 HB3 PRO 101 2HB PRO 101 -0.212 16.484 20.550 763 HG2 PRO 101 1HG PRO 101 -1.728 14.566 18.888 764 HG3 PRO 101 2HG PRO 101 -1.312 16.232 18.538 765 HD2 PRO 101 1HD PRO 101 -0.058 13.888 17.461 766 HD3 PRO 101 2HD PRO 101 0.431 15.551 17.203 767 H SER 102 H SER 102 2.456 13.875 22.244 768 HA SER 102 HA SER 102 2.663 12.052 23.401 769 HB2 SER 102 1HB SER 102 -0.254 12.076 22.787 770 HB3 SER 102 2HB SER 102 0.377 10.523 23.298 771 HG SER 102 HG SER 102 1.404 11.799 25.137 772 H SER 103 H SER 103 2.610 9.500 23.263 773 HA SER 103 HA SER 103 3.418 8.883 20.570 774 HB2 SER 103 1HB SER 103 4.656 8.296 22.836 775 HB3 SER 103 2HB SER 103 3.543 6.944 22.891 776 HG SER 103 HG SER 103 5.248 6.114 21.766 777 H GLY 104 H GLY 104 1.350 7.396 23.177 778 HA2 GLY 104 1HA GLY 104 0.112 5.536 21.423 779 HA3 GLY 104 2HA GLY 104 -0.381 5.957 23.050 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -7.592 -10.948 -16.893 2 HA2 GLY 1 1HA GLY 1 -6.592 -11.304 -19.350 3 HA3 GLY 1 2HA GLY 1 -5.123 -11.166 -18.404 4 H SER 2 H SER 2 -7.508 -13.307 -19.539 5 HA SER 2 HA SER 2 -7.902 -15.418 -19.232 6 HB2 SER 2 1HB SER 2 -5.341 -15.387 -17.575 7 HB3 SER 2 2HB SER 2 -6.174 -16.849 -18.065 8 HG SER 2 HG SER 2 -4.474 -15.215 -19.525 9 H SER 3 H SER 3 -9.776 -15.718 -18.069 10 HA SER 3 HA SER 3 -9.478 -15.656 -15.171 11 HB2 SER 3 1HB SER 3 -10.937 -13.793 -16.610 12 HB3 SER 3 2HB SER 3 -12.171 -14.975 -16.222 13 HG SER 3 HG SER 3 -10.824 -14.679 -13.953 14 H GLY 4 H GLY 4 -11.133 -17.050 -14.026 15 HA2 GLY 4 1HA GLY 4 -12.985 -18.663 -14.558 16 HA3 GLY 4 2HA GLY 4 -11.880 -19.343 -15.737 17 H SER 5 H SER 5 -12.250 -21.362 -14.394 18 HA SER 5 HA SER 5 -11.475 -22.876 -13.046 19 HB2 SER 5 1HB SER 5 -9.210 -21.052 -13.328 20 HB3 SER 5 2HB SER 5 -9.195 -21.801 -11.744 21 HG SER 5 HG SER 5 -9.034 -23.834 -12.645 22 H SER 6 H SER 6 -11.272 -23.459 -10.679 23 HA SER 6 HA SER 6 -12.320 -21.285 -9.039 24 HB2 SER 6 1HB SER 6 -13.739 -22.862 -7.877 25 HB3 SER 6 2HB SER 6 -14.013 -23.070 -9.595 26 HG SER 6 HG SER 6 -12.389 -24.734 -7.869 27 H GLY 7 H GLY 7 -11.001 -20.764 -7.331 28 HA2 GLY 7 1HA GLY 7 -9.932 -21.760 -5.332 29 HA3 GLY 7 2HA GLY 7 -9.079 -22.828 -6.430 30 H GLU 8 H GLU 8 -9.699 -19.288 -5.884 31 HA GLU 8 HA GLU 8 -6.901 -18.885 -6.600 32 HB2 GLU 8 1HB GLU 8 -9.288 -17.108 -7.265 33 HB3 GLU 8 2HB GLU 8 -7.620 -16.615 -7.480 34 HG2 GLU 8 1HG GLU 8 -7.239 -18.149 -9.226 35 HG3 GLU 8 2HG GLU 8 -8.505 -19.237 -8.693 36 H GLU 9 H GLU 9 -5.794 -18.338 -4.774 37 HA GLU 9 HA GLU 9 -7.067 -16.388 -3.041 38 HB2 GLU 9 1HB GLU 9 -6.341 -19.162 -2.349 39 HB3 GLU 9 2HB GLU 9 -5.612 -17.991 -1.269 40 HG2 GLU 9 1HG GLU 9 -8.149 -16.962 -1.425 41 HG3 GLU 9 2HG GLU 9 -8.501 -18.661 -1.675 42 H ILE 10 H ILE 10 -5.649 -14.819 -2.218 43 HA ILE 10 HA ILE 10 -2.847 -15.233 -2.169 44 HB ILE 10 HB ILE 10 -3.334 -14.967 -4.632 45 HG12 ILE 10 1HG1 ILE 10 -1.537 -12.727 -3.851 46 HG13 ILE 10 2HG1 ILE 10 -1.175 -14.297 -3.160 47 HG21 ILE 10 1HG2 ILE 10 -4.572 -13.279 -5.356 48 HG22 ILE 10 2HG2 ILE 10 -4.737 -12.669 -3.692 49 HG23 ILE 10 3HG2 ILE 10 -3.384 -12.122 -4.710 50 HD11 ILE 10 1HD1 ILE 10 -0.432 -13.432 -5.705 51 HD12 ILE 10 2HD1 ILE 10 -0.436 -15.123 -5.147 52 HD13 ILE 10 3HD1 ILE 10 -1.839 -14.472 -6.028 53 H PHE 11 H PHE 11 -1.729 -13.034 -1.620 54 HA PHE 11 HA PHE 11 -3.651 -11.393 -0.129 55 HB2 PHE 11 1HB PHE 11 -1.365 -13.055 0.699 56 HB3 PHE 11 2HB PHE 11 -1.038 -11.380 1.096 57 HD1 PHE 11 1HD PHE 11 -3.338 -10.197 2.097 58 HD2 PHE 11 2HD PHE 11 -2.216 -14.275 2.446 59 HE1 PHE 11 1HE PHE 11 -4.752 -10.410 4.159 60 HE2 PHE 11 2HE PHE 11 -3.630 -14.487 4.508 61 HZ PHE 11 HZ PHE 11 -4.882 -12.552 5.340 62 H CYS 12 H CYS 12 -3.256 -9.151 -0.092 63 HA CYS 12 HA CYS 12 -1.103 -8.321 -1.896 64 HB2 CYS 12 1HB CYS 12 -3.205 -7.746 -2.874 65 HB3 CYS 12 2HB CYS 12 -3.825 -7.105 -1.366 66 HG CYS 12 HG CYS 12 -2.414 -5.038 -1.177 67 H HIS 13 H HIS 13 0.496 -8.252 -0.184 68 HA HIS 13 HA HIS 13 -0.052 -6.859 2.221 69 HB2 HIS 13 1HB HIS 13 2.468 -7.932 0.945 70 HB3 HIS 13 2HB HIS 13 2.492 -7.060 2.465 71 HD1 HIS 13 1HD HIS 13 1.403 -10.326 0.931 72 HD2 HIS 13 2HD HIS 13 1.458 -8.466 4.691 73 HE1 HIS 13 1HE HIS 13 0.873 -12.147 2.637 74 H VAL 14 H VAL 14 0.000 -4.699 2.611 75 HA VAL 14 HA VAL 14 1.331 -3.044 0.578 76 HB VAL 14 HB VAL 14 -0.403 -1.606 0.571 77 HG11 VAL 14 1HG1 VAL 14 -1.204 -4.126 0.292 78 HG12 VAL 14 2HG1 VAL 14 -2.168 -3.725 1.734 79 HG13 VAL 14 3HG1 VAL 14 -2.354 -2.768 0.244 80 HG21 VAL 14 1HG2 VAL 14 -0.177 -0.937 2.912 81 HG22 VAL 14 2HG2 VAL 14 -1.892 -1.128 2.479 82 HG23 VAL 14 3HG2 VAL 14 -1.069 -2.387 3.430 83 H TYR 15 H TYR 15 3.236 -2.293 1.346 84 HA TYR 15 HA TYR 15 3.654 -2.122 4.189 85 HB2 TYR 15 1HB TYR 15 5.165 -1.677 1.567 86 HB3 TYR 15 2HB TYR 15 5.886 -1.099 3.056 87 HD1 TYR 15 2HD TYR 15 3.899 -4.226 2.609 88 HD2 TYR 15 1HD TYR 15 7.767 -2.515 3.253 89 HE1 TYR 15 2HE TYR 15 4.858 -6.539 3.047 90 HE2 TYR 15 1HE TYR 15 8.713 -4.834 3.689 91 HH TYR 15 HH TYR 15 8.155 -6.940 4.176 92 H ILE 16 H ILE 16 2.934 -0.401 5.343 93 HA ILE 16 HA ILE 16 2.301 2.054 4.063 94 HB ILE 16 HB ILE 16 2.518 1.421 7.007 95 HG12 ILE 16 1HG1 ILE 16 -0.061 1.330 5.475 96 HG13 ILE 16 2HG1 ILE 16 1.005 -0.060 5.432 97 HG21 ILE 16 1HG2 ILE 16 1.611 3.761 5.452 98 HG22 ILE 16 2HG2 ILE 16 0.512 3.230 6.747 99 HG23 ILE 16 3HG2 ILE 16 2.201 3.643 7.127 100 HD11 ILE 16 1HD1 ILE 16 1.010 -0.182 7.902 101 HD12 ILE 16 2HD1 ILE 16 -0.006 1.277 7.984 102 HD13 ILE 16 3HD1 ILE 16 -0.658 -0.223 7.281 103 H THR 17 H THR 17 4.746 1.186 6.615 104 HA THR 17 HA THR 17 6.336 3.464 5.638 105 HB THR 17 HB THR 17 7.252 3.488 7.955 106 HG1 THR 17 1HG THR 17 6.851 1.057 8.076 107 HG21 THR 17 1HG2 THR 17 4.221 3.139 8.152 108 HG22 THR 17 2HG2 THR 17 5.267 4.137 9.190 109 HG23 THR 17 3HG2 THR 17 4.971 4.616 7.502 110 H GLU 18 H GLU 18 8.469 2.076 7.521 111 HA GLU 18 HA GLU 18 9.584 0.610 5.298 112 HB2 GLU 18 1HB GLU 18 10.742 2.460 6.849 113 HB3 GLU 18 2HB GLU 18 11.076 1.080 7.875 114 HG2 GLU 18 1HG GLU 18 12.906 0.763 6.550 115 HG3 GLU 18 2HG GLU 18 11.782 0.077 5.394 116 H HIS 19 H HIS 19 8.482 0.197 8.681 117 HA HIS 19 HA HIS 19 8.836 -2.686 8.300 118 HB2 HIS 19 1HB HIS 19 8.980 -1.363 11.003 119 HB3 HIS 19 2HB HIS 19 9.498 -2.972 10.539 120 HD1 HIS 19 1HD HIS 19 11.207 -0.471 11.851 121 HD2 HIS 19 2HD HIS 19 11.438 -2.026 7.962 122 HE1 HIS 19 1HE HIS 19 13.517 0.155 10.966 123 H SER 20 H SER 20 6.552 -1.019 7.548 124 HA SER 20 HA SER 20 4.629 -2.300 9.296 125 HB2 SER 20 1HB SER 20 4.159 0.537 8.328 126 HB3 SER 20 2HB SER 20 3.301 -0.337 9.582 127 HG SER 20 HG SER 20 5.409 -0.339 10.788 128 H TYR 21 H TYR 21 2.810 -3.108 8.178 129 HA TYR 21 HA TYR 21 2.213 -2.186 5.532 130 HB2 TYR 21 1HB TYR 21 2.833 -4.303 4.443 131 HB3 TYR 21 2HB TYR 21 4.234 -3.804 5.369 132 HD1 TYR 21 2HD TYR 21 1.276 -6.068 5.437 133 HD2 TYR 21 1HD TYR 21 5.131 -5.191 7.071 134 HE1 TYR 21 2HE TYR 21 1.277 -8.302 6.650 135 HE2 TYR 21 1HE TYR 21 5.120 -7.428 8.279 136 HH TYR 21 HH TYR 21 3.095 -9.887 7.496 137 H VAL 22 H VAL 22 0.478 -3.833 4.540 138 HA VAL 22 HA VAL 22 -1.113 -4.967 6.711 139 HB VAL 22 HB VAL 22 -2.378 -3.241 4.600 140 HG11 VAL 22 1HG1 VAL 22 -3.480 -4.972 6.376 141 HG12 VAL 22 2HG1 VAL 22 -3.492 -3.474 7.338 142 HG13 VAL 22 3HG1 VAL 22 -4.306 -3.522 5.755 143 HG21 VAL 22 1HG2 VAL 22 -1.353 -2.316 7.305 144 HG22 VAL 22 2HG2 VAL 22 -0.760 -1.795 5.710 145 HG23 VAL 22 3HG2 VAL 22 -2.411 -1.375 6.226 146 H SER 23 H SER 23 -1.877 -6.962 6.184 147 HA SER 23 HA SER 23 -1.373 -7.813 3.476 148 HB2 SER 23 1HB SER 23 -1.400 -10.022 4.306 149 HB3 SER 23 2HB SER 23 -0.692 -9.106 5.622 150 HG SER 23 HG SER 23 -2.278 -10.440 6.527 151 H VAL 24 H VAL 24 -3.018 -7.472 2.023 152 HA VAL 24 HA VAL 24 -5.760 -7.735 3.034 153 HB VAL 24 HB VAL 24 -4.632 -6.294 0.626 154 HG11 VAL 24 1HG1 VAL 24 -7.425 -6.968 1.442 155 HG12 VAL 24 2HG1 VAL 24 -7.126 -5.346 0.773 156 HG13 VAL 24 3HG1 VAL 24 -6.713 -6.791 -0.180 157 HG21 VAL 24 1HG2 VAL 24 -5.276 -5.486 3.400 158 HG22 VAL 24 2HG2 VAL 24 -4.156 -4.763 2.220 159 HG23 VAL 24 3HG2 VAL 24 -5.898 -4.407 2.128 160 H LYS 25 H LYS 25 -6.536 -9.762 2.725 161 HA LYS 25 HA LYS 25 -5.475 -11.400 0.631 162 HB2 LYS 25 1HB LYS 25 -6.908 -13.119 1.552 163 HB3 LYS 25 2HB LYS 25 -6.050 -12.306 2.845 164 HG2 LYS 25 1HG LYS 25 -8.354 -10.765 2.648 165 HG3 LYS 25 2HG LYS 25 -8.962 -12.360 2.252 166 HD2 LYS 25 1HD LYS 25 -7.338 -11.659 4.744 167 HD3 LYS 25 2HD LYS 25 -9.072 -11.910 4.704 168 HE2 LYS 25 1HE LYS 25 -7.385 -14.115 3.559 169 HE3 LYS 25 2HE LYS 25 -7.297 -13.893 5.295 170 HZ1 LYS 25 1HZ LYS 25 -9.866 -14.053 3.897 171 HZ2 LYS 25 2HZ LYS 25 -9.091 -15.386 4.435 172 HZ3 LYS 25 3HZ LYS 25 -9.575 -14.241 5.493 173 H ALA 26 H ALA 26 -5.959 -10.647 -1.408 174 HA ALA 26 HA ALA 26 -8.823 -10.246 -1.948 175 HB1 ALA 26 1HB ALA 26 -8.205 -8.253 -2.780 176 HB2 ALA 26 2HB ALA 26 -6.489 -8.619 -2.483 177 HB3 ALA 26 3HB ALA 26 -7.251 -9.107 -4.016 178 H LYS 27 H LYS 27 -9.055 -10.537 -4.581 179 HA LYS 27 HA LYS 27 -8.514 -13.318 -4.946 180 HB2 LYS 27 1HB LYS 27 -9.713 -11.363 -6.923 181 HB3 LYS 27 2HB LYS 27 -9.862 -13.108 -6.925 182 HG2 LYS 27 1HG LYS 27 -10.703 -11.826 -4.375 183 HG3 LYS 27 2HG LYS 27 -11.673 -11.363 -5.759 184 HD2 LYS 27 1HD LYS 27 -12.137 -13.726 -6.289 185 HD3 LYS 27 2HD LYS 27 -11.049 -14.261 -5.024 186 HE2 LYS 27 1HE LYS 27 -12.544 -12.944 -3.369 187 HE3 LYS 27 2HE LYS 27 -13.694 -12.783 -4.681 188 HZ1 LYS 27 1HZ LYS 27 -14.309 -14.874 -4.420 189 HZ2 LYS 27 2HZ LYS 27 -12.780 -15.447 -4.393 190 HZ3 LYS 27 3HZ LYS 27 -13.471 -14.897 -3.019 191 H VAL 28 H VAL 28 -7.748 -13.905 -7.375 192 HA VAL 28 HA VAL 28 -5.051 -12.895 -7.472 193 HB VAL 28 HB VAL 28 -5.721 -15.307 -7.665 194 HG11 VAL 28 1HG1 VAL 28 -6.321 -14.902 -10.562 195 HG12 VAL 28 2HG1 VAL 28 -6.881 -16.164 -9.438 196 HG13 VAL 28 3HG1 VAL 28 -7.614 -14.543 -9.392 197 HG21 VAL 28 1HG2 VAL 28 -4.019 -13.953 -9.765 198 HG22 VAL 28 2HG2 VAL 28 -3.507 -14.796 -8.283 199 HG23 VAL 28 3HG2 VAL 28 -4.151 -15.725 -9.658 200 H SER 29 H SER 29 -8.005 -11.789 -8.579 201 HA SER 29 HA SER 29 -6.658 -10.446 -10.780 202 HB2 SER 29 1HB SER 29 -8.339 -10.890 -12.310 203 HB3 SER 29 2HB SER 29 -8.414 -12.364 -11.365 204 HG SER 29 HG SER 29 -10.492 -11.815 -11.195 205 H SER 30 H SER 30 -7.296 -9.799 -7.877 206 HA SER 30 HA SER 30 -9.415 -7.897 -8.066 207 HB2 SER 30 1HB SER 30 -8.469 -9.370 -6.004 208 HB3 SER 30 2HB SER 30 -7.518 -7.922 -5.737 209 HG SER 30 HG SER 30 -9.295 -7.301 -4.680 210 H ILE 31 H ILE 31 -9.196 -5.600 -8.044 211 HA ILE 31 HA ILE 31 -6.676 -4.675 -9.089 212 HB ILE 31 HB ILE 31 -7.967 -2.496 -9.210 213 HG12 ILE 31 1HG1 ILE 31 -10.397 -4.215 -8.698 214 HG13 ILE 31 2HG1 ILE 31 -9.632 -3.295 -7.417 215 HG21 ILE 31 1HG2 ILE 31 -7.603 -4.081 -11.095 216 HG22 ILE 31 2HG2 ILE 31 -9.156 -4.852 -10.695 217 HG23 ILE 31 3HG2 ILE 31 -9.115 -3.150 -11.215 218 HD11 ILE 31 1HD1 ILE 31 -9.785 -1.340 -9.302 219 HD12 ILE 31 2HD1 ILE 31 -11.182 -2.330 -9.787 220 HD13 ILE 31 3HD1 ILE 31 -11.092 -1.665 -8.138 221 H ALA 32 H ALA 32 -5.709 -2.591 -8.187 222 HA ALA 32 HA ALA 32 -4.929 -3.029 -5.557 223 HB1 ALA 32 1HB ALA 32 -3.822 -1.688 -7.477 224 HB2 ALA 32 2HB ALA 32 -4.855 -0.338 -6.946 225 HB3 ALA 32 3HB ALA 32 -3.670 -1.047 -5.824 226 H GLN 33 H GLN 33 -7.451 -0.883 -6.989 227 HA GLN 33 HA GLN 33 -8.071 0.574 -4.796 228 HB2 GLN 33 1HB GLN 33 -9.110 1.077 -6.900 229 HB3 GLN 33 2HB GLN 33 -9.811 -0.523 -7.033 230 HG2 GLN 33 1HG GLN 33 -11.664 0.693 -6.296 231 HG3 GLN 33 2HG GLN 33 -11.034 0.114 -4.766 232 HE21 GLN 33 1HE2 GLN 33 -9.405 1.529 -3.689 233 HE22 GLN 33 2HE2 GLN 33 -9.664 3.241 -3.706 234 H GLU 34 H GLU 34 -9.108 -2.773 -5.635 235 HA GLU 34 HA GLU 34 -10.960 -3.025 -3.590 236 HB2 GLU 34 1HB GLU 34 -9.322 -5.013 -5.192 237 HB3 GLU 34 2HB GLU 34 -10.402 -5.562 -3.926 238 HG2 GLU 34 1HG GLU 34 -11.658 -3.581 -5.735 239 HG3 GLU 34 2HG GLU 34 -11.131 -5.029 -6.570 240 H ILE 35 H ILE 35 -7.563 -2.652 -3.457 241 HA ILE 35 HA ILE 35 -7.399 -4.081 -0.906 242 HB ILE 35 HB ILE 35 -5.127 -2.933 -2.516 243 HG12 ILE 35 1HG1 ILE 35 -6.359 -4.473 -3.959 244 HG13 ILE 35 2HG1 ILE 35 -4.800 -5.132 -3.507 245 HG21 ILE 35 1HG2 ILE 35 -3.889 -3.594 -0.802 246 HG22 ILE 35 2HG2 ILE 35 -5.337 -4.190 0.043 247 HG23 ILE 35 3HG2 ILE 35 -4.440 -5.267 -1.053 248 HD11 ILE 35 1HD1 ILE 35 -7.266 -5.797 -1.870 249 HD12 ILE 35 2HD1 ILE 35 -6.899 -6.688 -3.366 250 HD13 ILE 35 3HD1 ILE 35 -5.744 -6.709 -2.012 251 H LEU 36 H LEU 36 -6.516 -0.931 -2.484 252 HA LEU 36 HA LEU 36 -5.718 0.410 -0.245 253 HB2 LEU 36 1HB LEU 36 -5.566 1.181 -2.586 254 HB3 LEU 36 2HB LEU 36 -7.288 1.506 -2.582 255 HG LEU 36 HG LEU 36 -6.760 3.061 -0.557 256 HD11 LEU 36 1HD1 LEU 36 -4.222 2.059 -0.885 257 HD12 LEU 36 2HD1 LEU 36 -4.128 3.629 -1.718 258 HD13 LEU 36 3HD1 LEU 36 -4.648 3.554 -0.018 259 HD21 LEU 36 1HD2 LEU 36 -7.589 4.144 -2.407 260 HD22 LEU 36 2HD2 LEU 36 -5.964 4.861 -2.292 261 HD23 LEU 36 3HD2 LEU 36 -6.285 3.568 -3.472 262 H LYS 37 H LYS 37 -9.050 -0.263 -1.412 263 HA LYS 37 HA LYS 37 -10.360 1.392 0.413 264 HB2 LYS 37 1HB LYS 37 -12.341 0.079 -0.148 265 HB3 LYS 37 2HB LYS 37 -11.425 0.487 -1.585 266 HG2 LYS 37 1HG LYS 37 -11.189 -1.705 -2.107 267 HG3 LYS 37 2HG LYS 37 -10.406 -2.018 -0.571 268 HD2 LYS 37 1HD LYS 37 -12.693 -2.178 0.510 269 HD3 LYS 37 2HD LYS 37 -13.419 -1.989 -1.074 270 HE2 LYS 37 1HE LYS 37 -11.758 -4.026 -1.683 271 HE3 LYS 37 2HE LYS 37 -11.869 -4.324 0.040 272 HZ1 LYS 37 1HZ LYS 37 -13.998 -4.920 -0.144 273 HZ2 LYS 37 2HZ LYS 37 -14.369 -3.797 -1.269 274 HZ3 LYS 37 3HZ LYS 37 -13.638 -5.188 -1.714 275 H VAL 38 H VAL 38 -8.848 -1.803 0.712 276 HA VAL 38 HA VAL 38 -10.127 -2.341 3.228 277 HB VAL 38 HB VAL 38 -7.748 -3.709 1.968 278 HG11 VAL 38 1HG1 VAL 38 -9.627 -4.319 4.208 279 HG12 VAL 38 2HG1 VAL 38 -9.091 -5.674 3.186 280 HG13 VAL 38 3HG1 VAL 38 -7.890 -4.671 4.037 281 HG21 VAL 38 1HG2 VAL 38 -9.022 -4.641 0.382 282 HG22 VAL 38 2HG2 VAL 38 -10.316 -5.024 1.542 283 HG23 VAL 38 3HG2 VAL 38 -10.253 -3.418 0.776 284 H VAL 39 H VAL 39 -6.679 -1.810 2.187 285 HA VAL 39 HA VAL 39 -5.554 -1.584 4.639 286 HB VAL 39 HB VAL 39 -4.977 -0.021 2.116 287 HG11 VAL 39 1HG1 VAL 39 -2.998 0.745 2.989 288 HG12 VAL 39 2HG1 VAL 39 -3.992 0.744 4.466 289 HG13 VAL 39 3HG1 VAL 39 -2.861 -0.595 4.153 290 HG21 VAL 39 1HG2 VAL 39 -3.371 -2.372 3.056 291 HG22 VAL 39 2HG2 VAL 39 -4.942 -2.663 2.271 292 HG23 VAL 39 3HG2 VAL 39 -3.665 -1.774 1.405 293 H ALA 40 H ALA 40 -7.003 1.133 2.707 294 HA ALA 40 HA ALA 40 -6.615 3.212 4.334 295 HB1 ALA 40 1HB ALA 40 -9.032 2.347 2.729 296 HB2 ALA 40 2HB ALA 40 -9.010 3.901 3.597 297 HB3 ALA 40 3HB ALA 40 -7.803 3.573 2.330 298 H GLU 41 H GLU 41 -9.045 0.586 4.813 299 HA GLU 41 HA GLU 41 -10.106 1.798 7.123 300 HB2 GLU 41 1HB GLU 41 -10.285 -1.152 6.408 301 HB3 GLU 41 2HB GLU 41 -11.430 -0.203 7.335 302 HG2 GLU 41 1HG GLU 41 -11.032 1.057 4.744 303 HG3 GLU 41 2HG GLU 41 -11.400 -0.640 4.504 304 H LYS 42 H LYS 42 -7.700 -0.818 6.479 305 HA LYS 42 HA LYS 42 -7.323 -1.669 9.068 306 HB2 LYS 42 1HB LYS 42 -6.000 -1.913 6.506 307 HB3 LYS 42 2HB LYS 42 -4.811 -1.752 7.783 308 HG2 LYS 42 1HG LYS 42 -5.421 -4.131 7.438 309 HG3 LYS 42 2HG LYS 42 -5.860 -3.600 9.050 310 HD2 LYS 42 1HD LYS 42 -7.899 -4.515 8.544 311 HD3 LYS 42 2HD LYS 42 -8.177 -2.994 7.718 312 HE2 LYS 42 1HE LYS 42 -8.568 -4.291 5.876 313 HE3 LYS 42 2HE LYS 42 -6.822 -4.393 5.762 314 HZ1 LYS 42 1HZ LYS 42 -7.710 -6.272 7.613 315 HZ2 LYS 42 2HZ LYS 42 -8.599 -6.443 6.254 316 HZ3 LYS 42 3HZ LYS 42 -6.970 -6.533 6.180 317 H ILE 43 H ILE 43 -6.324 1.324 7.461 318 HA ILE 43 HA ILE 43 -4.739 2.011 9.828 319 HB ILE 43 HB ILE 43 -3.507 3.448 8.534 320 HG12 ILE 43 1HG1 ILE 43 -5.657 3.446 6.396 321 HG13 ILE 43 2HG1 ILE 43 -5.470 4.684 7.622 322 HG21 ILE 43 1HG2 ILE 43 -3.578 0.891 7.787 323 HG22 ILE 43 2HG2 ILE 43 -4.101 1.627 6.253 324 HG23 ILE 43 3HG2 ILE 43 -2.546 2.096 6.980 325 HD11 ILE 43 1HD1 ILE 43 -4.261 5.613 5.845 326 HD12 ILE 43 2HD1 ILE 43 -2.966 4.787 6.745 327 HD13 ILE 43 3HD1 ILE 43 -3.662 4.031 5.292 328 H GLN 44 H GLN 44 -7.775 2.481 8.220 329 HA GLN 44 HA GLN 44 -9.542 3.600 8.844 330 HB2 GLN 44 1HB GLN 44 -7.950 4.912 11.085 331 HB3 GLN 44 2HB GLN 44 -9.692 4.771 10.972 332 HG2 GLN 44 1HG GLN 44 -9.320 2.197 10.922 333 HG3 GLN 44 2HG GLN 44 -7.673 2.535 11.416 334 HE21 GLN 44 1HE2 GLN 44 -8.013 1.437 13.352 335 HE22 GLN 44 2HE2 GLN 44 -8.882 2.127 14.681 336 H TYR 45 H TYR 45 -8.416 4.534 6.670 337 HA TYR 45 HA TYR 45 -8.389 7.446 7.049 338 HB2 TYR 45 1HB TYR 45 -6.332 5.577 6.126 339 HB3 TYR 45 2HB TYR 45 -6.829 6.550 4.755 340 HD1 TYR 45 2HD TYR 45 -5.415 6.708 8.185 341 HD2 TYR 45 1HD TYR 45 -6.169 8.840 4.553 342 HE1 TYR 45 2HE TYR 45 -3.913 8.601 8.975 343 HE2 TYR 45 1HE TYR 45 -4.665 10.726 5.356 344 HH TYR 45 HH TYR 45 -3.934 11.339 8.245 345 H ALA 46 H ALA 46 -8.045 8.006 4.238 346 HA ALA 46 HA ALA 46 -10.622 6.989 3.251 347 HB1 ALA 46 1HB ALA 46 -9.868 9.598 3.799 348 HB2 ALA 46 2HB ALA 46 -9.562 9.463 2.051 349 HB3 ALA 46 3HB ALA 46 -11.181 9.111 2.700 350 H GLU 47 H GLU 47 -10.022 5.236 2.001 351 HA GLU 47 HA GLU 47 -7.740 4.798 0.719 352 HB2 GLU 47 1HB GLU 47 -9.113 3.462 -0.955 353 HB3 GLU 47 2HB GLU 47 -9.454 3.117 0.729 354 HG2 GLU 47 1HG GLU 47 -11.431 4.631 0.658 355 HG3 GLU 47 2HG GLU 47 -11.077 5.035 -1.010 356 H GLU 48 H GLU 48 -10.460 6.853 -0.453 357 HA GLU 48 HA GLU 48 -9.492 7.280 -2.992 358 HB2 GLU 48 1HB GLU 48 -10.960 9.279 -2.994 359 HB3 GLU 48 2HB GLU 48 -11.769 7.891 -2.292 360 HG2 GLU 48 1HG GLU 48 -10.879 8.810 0.007 361 HG3 GLU 48 2HG GLU 48 -10.605 10.307 -0.864 362 H ASP 49 H ASP 49 -8.751 8.897 0.132 363 HA ASP 49 HA ASP 49 -7.183 10.893 -1.126 364 HB2 ASP 49 1HB ASP 49 -7.386 9.972 1.779 365 HB3 ASP 49 2HB ASP 49 -6.469 11.375 1.267 366 H LEU 50 H LEU 50 -6.786 7.581 -0.607 367 HA LEU 50 HA LEU 50 -3.897 7.826 -0.160 368 HB2 LEU 50 1HB LEU 50 -5.739 5.458 0.202 369 HB3 LEU 50 2HB LEU 50 -4.005 5.444 0.455 370 HG LEU 50 HG LEU 50 -6.101 6.915 2.062 371 HD11 LEU 50 1HD1 LEU 50 -6.027 4.787 2.922 372 HD12 LEU 50 2HD1 LEU 50 -4.307 4.561 2.523 373 HD13 LEU 50 3HD1 LEU 50 -4.774 5.588 3.900 374 HD21 LEU 50 1HD2 LEU 50 -4.386 8.515 1.928 375 HD22 LEU 50 2HD2 LEU 50 -4.109 7.668 3.469 376 HD23 LEU 50 3HD2 LEU 50 -3.106 7.285 2.049 377 H ALA 51 H ALA 51 -2.829 5.659 -1.297 378 HA ALA 51 HA ALA 51 -3.922 5.004 -3.820 379 HB1 ALA 51 1HB ALA 51 -2.871 6.432 -5.256 380 HB2 ALA 51 2HB ALA 51 -2.878 7.519 -3.846 381 HB3 ALA 51 3HB ALA 51 -1.424 6.567 -4.229 382 H LEU 52 H LEU 52 -2.680 3.332 -4.843 383 HA LEU 52 HA LEU 52 -0.912 2.022 -2.980 384 HB2 LEU 52 1HB LEU 52 -2.038 1.219 -5.665 385 HB3 LEU 52 2HB LEU 52 -0.975 0.211 -4.704 386 HG LEU 52 HG LEU 52 -2.915 -0.669 -3.977 387 HD11 LEU 52 1HD1 LEU 52 -2.827 1.850 -2.297 388 HD12 LEU 52 2HD1 LEU 52 -3.797 0.406 -1.921 389 HD13 LEU 52 3HD1 LEU 52 -2.021 0.299 -1.961 390 HD21 LEU 52 1HD2 LEU 52 -4.538 1.850 -4.150 391 HD22 LEU 52 2HD2 LEU 52 -4.117 0.955 -5.630 392 HD23 LEU 52 3HD2 LEU 52 -5.041 0.153 -4.337 393 H VAL 53 H VAL 53 1.253 2.270 -2.954 394 HA VAL 53 HA VAL 53 2.470 3.402 -5.373 395 HB VAL 53 HB VAL 53 3.100 3.591 -2.437 396 HG11 VAL 53 1HG1 VAL 53 5.223 3.056 -3.459 397 HG12 VAL 53 2HG1 VAL 53 4.951 4.248 -4.753 398 HG13 VAL 53 3HG1 VAL 53 5.195 4.794 -3.076 399 HG21 VAL 53 1HG2 VAL 53 3.302 6.079 -3.252 400 HG22 VAL 53 2HG2 VAL 53 2.355 5.495 -4.641 401 HG23 VAL 53 3HG2 VAL 53 1.699 5.349 -2.992 402 H ALA 54 H ALA 54 4.408 2.472 -6.202 403 HA ALA 54 HA ALA 54 4.904 -0.239 -5.175 404 HB1 ALA 54 1HB ALA 54 5.327 -0.929 -7.443 405 HB2 ALA 54 2HB ALA 54 3.778 -0.052 -7.438 406 HB3 ALA 54 3HB ALA 54 5.253 0.750 -8.029 407 H ILE 55 H ILE 55 6.986 -0.734 -4.590 408 HA ILE 55 HA ILE 55 9.011 1.288 -5.259 409 HB ILE 55 HB ILE 55 8.846 -0.326 -2.714 410 HG12 ILE 55 1HG1 ILE 55 7.103 1.668 -3.353 411 HG13 ILE 55 2HG1 ILE 55 7.587 1.243 -1.723 412 HG21 ILE 55 1HG2 ILE 55 10.505 1.453 -1.966 413 HG22 ILE 55 2HG2 ILE 55 11.099 0.230 -3.116 414 HG23 ILE 55 3HG2 ILE 55 10.684 1.863 -3.689 415 HD11 ILE 55 1HD1 ILE 55 7.788 3.719 -2.303 416 HD12 ILE 55 2HD1 ILE 55 9.275 2.976 -1.665 417 HD13 ILE 55 3HD1 ILE 55 9.108 3.275 -3.412 418 H THR 56 H THR 56 10.108 0.366 -6.939 419 HA THR 56 HA THR 56 10.420 -2.412 -7.247 420 HB THR 56 HB THR 56 10.519 -0.653 -9.060 421 HG1 THR 56 1HG THR 56 12.932 -2.243 -8.532 422 HG21 THR 56 1HG2 THR 56 12.346 0.652 -7.416 423 HG22 THR 56 2HG2 THR 56 13.416 -0.196 -8.558 424 HG23 THR 56 3HG2 THR 56 12.184 0.937 -9.165 425 H PHE 57 H PHE 57 12.390 -3.695 -7.171 426 HA PHE 57 HA PHE 57 13.574 -3.599 -4.680 427 HB2 PHE 57 1HB PHE 57 15.026 -5.350 -5.675 428 HB3 PHE 57 2HB PHE 57 13.408 -5.543 -6.320 429 HD1 PHE 57 1HD PHE 57 12.908 -4.767 -8.639 430 HD2 PHE 57 2HD PHE 57 16.861 -4.819 -7.096 431 HE1 PHE 57 1HE PHE 57 13.821 -4.626 -10.973 432 HE2 PHE 57 2HE PHE 57 17.774 -4.678 -9.430 433 HZ PHE 57 HZ PHE 57 16.243 -4.583 -11.340 434 H SER 58 H SER 58 14.601 -1.704 -4.038 435 HA SER 58 HA SER 58 17.137 -1.276 -4.395 436 HB2 SER 58 1HB SER 58 15.740 -0.376 -6.870 437 HB3 SER 58 2HB SER 58 16.890 0.772 -6.214 438 HG SER 58 HG SER 58 18.504 -0.965 -6.222 439 H GLY 59 H GLY 59 14.458 1.026 -5.300 440 HA2 GLY 59 1HA GLY 59 13.705 2.067 -2.970 441 HA3 GLY 59 2HA GLY 59 15.277 2.818 -3.157 442 H GLU 60 H GLU 60 12.300 2.120 -5.132 443 HA GLU 60 HA GLU 60 12.310 4.901 -5.898 444 HB2 GLU 60 1HB GLU 60 12.717 2.591 -7.793 445 HB3 GLU 60 2HB GLU 60 11.766 3.957 -8.342 446 HG2 GLU 60 1HG GLU 60 13.734 5.445 -7.500 447 HG3 GLU 60 2HG GLU 60 14.661 3.962 -7.399 448 H LYS 61 H LYS 61 10.329 5.448 -5.053 449 HA LYS 61 HA LYS 61 8.173 3.547 -5.136 450 HB2 LYS 61 1HB LYS 61 7.088 4.945 -3.646 451 HB3 LYS 61 2HB LYS 61 8.772 5.213 -3.246 452 HG2 LYS 61 1HG LYS 61 8.417 7.110 -5.215 453 HG3 LYS 61 2HG LYS 61 6.808 7.064 -4.522 454 HD2 LYS 61 1HD LYS 61 7.750 8.608 -3.079 455 HD3 LYS 61 2HD LYS 61 8.181 7.149 -2.208 456 HE2 LYS 61 1HE LYS 61 10.428 7.150 -3.133 457 HE3 LYS 61 2HE LYS 61 10.020 8.392 -4.300 458 HZ1 LYS 61 1HZ LYS 61 10.887 8.715 -1.678 459 HZ2 LYS 61 2HZ LYS 61 10.596 9.868 -2.796 460 HZ3 LYS 61 3HZ LYS 61 9.400 9.378 -1.799 461 H HIS 62 H HIS 62 6.198 3.782 -6.294 462 HA HIS 62 HA HIS 62 6.120 5.910 -8.259 463 HB2 HIS 62 1HB HIS 62 7.303 3.714 -9.112 464 HB3 HIS 62 2HB HIS 62 5.663 3.110 -9.237 465 HD1 HIS 62 1HD HIS 62 7.526 6.288 -10.344 466 HD2 HIS 62 2HD HIS 62 4.592 3.609 -11.689 467 HE1 HIS 62 1HE HIS 62 6.879 7.055 -12.690 468 H GLU 63 H GLU 63 3.932 6.082 -9.283 469 HA GLU 63 HA GLU 63 1.955 4.999 -7.433 470 HB2 GLU 63 1HB GLU 63 2.071 7.436 -7.331 471 HB3 GLU 63 2HB GLU 63 1.948 7.567 -9.074 472 HG2 GLU 63 1HG GLU 63 -0.292 5.998 -8.253 473 HG3 GLU 63 2HG GLU 63 -0.185 7.317 -7.103 474 H LEU 64 H LEU 64 0.314 3.712 -8.235 475 HA LEU 64 HA LEU 64 0.281 3.392 -11.153 476 HB2 LEU 64 1HB LEU 64 -0.916 1.317 -9.426 477 HB3 LEU 64 2HB LEU 64 0.004 1.169 -10.910 478 HG LEU 64 HG LEU 64 1.984 1.991 -9.281 479 HD11 LEU 64 1HD1 LEU 64 -0.122 1.561 -7.472 480 HD12 LEU 64 2HD1 LEU 64 0.970 0.168 -7.287 481 HD13 LEU 64 3HD1 LEU 64 1.599 1.823 -7.103 482 HD21 LEU 64 1HD2 LEU 64 2.341 -0.567 -8.865 483 HD22 LEU 64 2HD2 LEU 64 0.930 -0.740 -9.937 484 HD23 LEU 64 3HD2 LEU 64 2.393 0.091 -10.518 485 H GLN 65 H GLN 65 -2.238 1.875 -11.067 486 HA GLN 65 HA GLN 65 -3.986 4.150 -10.553 487 HB2 GLN 65 1HB GLN 65 -3.924 2.040 -12.700 488 HB3 GLN 65 2HB GLN 65 -5.487 2.676 -12.226 489 HG2 GLN 65 1HG GLN 65 -3.752 4.937 -12.474 490 HG3 GLN 65 2HG GLN 65 -3.431 3.923 -13.867 491 HE21 GLN 65 1HE2 GLN 65 -5.498 6.167 -12.428 492 HE22 GLN 65 2HE2 GLN 65 -6.811 6.132 -13.557 493 HA PRO 66 HA PRO 66 -6.320 1.700 -7.837 494 HB2 PRO 66 1HB PRO 66 -8.895 2.526 -8.237 495 HB3 PRO 66 2HB PRO 66 -7.732 3.437 -7.295 496 HG2 PRO 66 1HG PRO 66 -8.734 3.974 -10.023 497 HG3 PRO 66 2HG PRO 66 -7.923 5.065 -8.917 498 HD2 PRO 66 1HD PRO 66 -6.771 3.769 -11.203 499 HD3 PRO 66 2HD PRO 66 -5.933 4.767 -10.031 500 H ASN 67 H ASN 67 -6.513 1.188 -11.081 501 HA ASN 67 HA ASN 67 -8.228 -1.122 -10.614 502 HB2 ASN 67 1HB ASN 67 -7.792 0.707 -12.969 503 HB3 ASN 67 2HB ASN 67 -8.085 -0.980 -13.339 504 HD21 ASN 67 1HD2 ASN 67 -9.373 1.978 -12.116 505 HD22 ASN 67 2HD2 ASN 67 -11.032 1.504 -11.964 506 H ASP 68 H ASP 68 -5.210 -0.659 -10.141 507 HA ASP 68 HA ASP 68 -4.028 -2.264 -12.205 508 HB2 ASP 68 1HB ASP 68 -2.924 -0.246 -11.035 509 HB3 ASP 68 2HB ASP 68 -2.760 -1.263 -9.618 510 H LEU 69 H LEU 69 -3.724 -4.499 -11.981 511 HA LEU 69 HA LEU 69 -4.842 -5.848 -9.789 512 HB2 LEU 69 1HB LEU 69 -3.202 -6.625 -12.173 513 HB3 LEU 69 2HB LEU 69 -3.511 -7.797 -10.907 514 HG LEU 69 HG LEU 69 -5.122 -8.105 -12.649 515 HD11 LEU 69 1HD1 LEU 69 -6.750 -6.672 -10.574 516 HD12 LEU 69 2HD1 LEU 69 -7.050 -8.228 -11.386 517 HD13 LEU 69 3HD1 LEU 69 -5.796 -8.107 -10.128 518 HD21 LEU 69 1HD2 LEU 69 -4.891 -5.727 -13.521 519 HD22 LEU 69 2HD2 LEU 69 -6.517 -6.448 -13.575 520 HD23 LEU 69 3HD2 LEU 69 -6.108 -5.272 -12.304 521 H VAL 70 H VAL 70 -3.947 -5.144 -7.827 522 HA VAL 70 HA VAL 70 -1.422 -4.594 -7.178 523 HB VAL 70 HB VAL 70 -2.117 -5.996 -4.990 524 HG11 VAL 70 1HG1 VAL 70 -1.803 -3.703 -4.753 525 HG12 VAL 70 2HG1 VAL 70 -3.004 -3.303 -6.005 526 HG13 VAL 70 3HG1 VAL 70 -3.540 -3.889 -4.412 527 HG21 VAL 70 1HG2 VAL 70 -4.307 -6.567 -4.807 528 HG22 VAL 70 2HG2 VAL 70 -4.857 -5.243 -5.862 529 HG23 VAL 70 3HG2 VAL 70 -4.178 -6.726 -6.575 530 H ILE 71 H ILE 71 -2.804 -7.906 -7.577 531 HA ILE 71 HA ILE 71 -0.502 -9.271 -6.778 532 HB ILE 71 HB ILE 71 -2.719 -10.262 -6.905 533 HG12 ILE 71 1HG1 ILE 71 -0.410 -11.495 -8.363 534 HG13 ILE 71 2HG1 ILE 71 -1.099 -11.908 -6.806 535 HG21 ILE 71 1HG2 ILE 71 -3.280 -9.033 -9.097 536 HG22 ILE 71 2HG2 ILE 71 -2.479 -10.402 -9.905 537 HG23 ILE 71 3HG2 ILE 71 -3.900 -10.686 -8.871 538 HD11 ILE 71 1HD1 ILE 71 -3.118 -12.832 -7.907 539 HD12 ILE 71 2HD1 ILE 71 -2.466 -12.369 -9.498 540 HD13 ILE 71 3HD1 ILE 71 -1.646 -13.617 -8.529 541 H SER 72 H SER 72 -1.696 -8.358 -10.085 542 HA SER 72 HA SER 72 0.280 -9.417 -11.550 543 HB2 SER 72 1HB SER 72 -1.588 -8.304 -12.600 544 HB3 SER 72 2HB SER 72 -1.176 -6.765 -11.868 545 HG SER 72 HG SER 72 0.100 -8.136 -14.040 546 H LYS 73 H LYS 73 2.314 -8.565 -12.473 547 HA LYS 73 HA LYS 73 3.488 -6.190 -11.653 548 HB2 LYS 73 1HB LYS 73 3.426 -7.996 -9.528 549 HB3 LYS 73 2HB LYS 73 5.046 -8.167 -10.174 550 HG2 LYS 73 1HG LYS 73 3.701 -5.578 -9.279 551 HG3 LYS 73 2HG LYS 73 5.053 -6.380 -8.505 552 HD2 LYS 73 1HD LYS 73 6.578 -5.518 -9.983 553 HD3 LYS 73 2HD LYS 73 5.543 -5.802 -11.368 554 HE2 LYS 73 1HE LYS 73 4.506 -3.717 -11.209 555 HE3 LYS 73 2HE LYS 73 4.683 -3.636 -9.468 556 HZ1 LYS 73 1HZ LYS 73 7.110 -3.607 -11.041 557 HZ2 LYS 73 2HZ LYS 73 6.189 -2.259 -11.071 558 HZ3 LYS 73 3HZ LYS 73 6.763 -2.825 -9.650 559 H SER 74 H SER 74 4.770 -5.804 -13.370 560 HA SER 74 HA SER 74 5.330 -7.554 -15.307 561 HB2 SER 74 1HB SER 74 5.954 -4.919 -14.788 562 HB3 SER 74 2HB SER 74 7.549 -5.644 -14.762 563 HG SER 74 HG SER 74 7.183 -5.102 -16.903 564 H LEU 75 H LEU 75 7.954 -6.450 -13.039 565 HA LEU 75 HA LEU 75 8.674 -9.016 -12.209 566 HB2 LEU 75 1HB LEU 75 10.477 -9.620 -13.523 567 HB3 LEU 75 2HB LEU 75 9.245 -9.143 -14.674 568 HG LEU 75 HG LEU 75 11.340 -8.308 -15.445 569 HD11 LEU 75 1HD1 LEU 75 10.708 -6.185 -15.976 570 HD12 LEU 75 2HD1 LEU 75 9.169 -6.783 -15.311 571 HD13 LEU 75 3HD1 LEU 75 10.242 -5.779 -14.307 572 HD21 LEU 75 1HD2 LEU 75 11.997 -8.088 -12.733 573 HD22 LEU 75 2HD2 LEU 75 13.020 -7.684 -14.133 574 HD23 LEU 75 3HD2 LEU 75 12.030 -6.422 -13.360 575 H GLU 76 H GLU 76 9.996 -8.823 -10.431 576 HA GLU 76 HA GLU 76 11.922 -6.873 -10.154 577 HB2 GLU 76 1HB GLU 76 10.965 -5.189 -8.796 578 HB3 GLU 76 2HB GLU 76 9.775 -5.430 -10.060 579 HG2 GLU 76 1HG GLU 76 8.461 -6.925 -8.570 580 HG3 GLU 76 2HG GLU 76 9.671 -6.765 -7.313 581 H ALA 77 H ALA 77 13.132 -7.183 -8.196 582 HA ALA 77 HA ALA 77 12.757 -9.725 -7.021 583 HB1 ALA 77 1HB ALA 77 14.729 -7.584 -7.085 584 HB2 ALA 77 2HB ALA 77 14.535 -8.221 -5.434 585 HB3 ALA 77 3HB ALA 77 14.956 -9.321 -6.769 586 H SER 78 H SER 78 11.158 -10.203 -5.601 587 HA SER 78 HA SER 78 9.665 -9.992 -4.033 588 HB2 SER 78 1HB SER 78 11.546 -10.084 -2.527 589 HB3 SER 78 2HB SER 78 11.940 -8.397 -2.796 590 HG SER 78 HG SER 78 10.253 -9.481 -0.942 591 H GLY 79 H GLY 79 7.922 -8.874 -4.955 592 HA2 GLY 79 1HA GLY 79 8.022 -5.994 -5.239 593 HA3 GLY 79 2HA GLY 79 6.720 -7.076 -5.695 594 H ARG 80 H ARG 80 7.241 -4.514 -3.797 595 HA ARG 80 HA ARG 80 5.426 -5.539 -1.774 596 HB2 ARG 80 1HB ARG 80 8.058 -4.166 -1.415 597 HB3 ARG 80 2HB ARG 80 6.766 -3.543 -0.408 598 HG2 ARG 80 1HG ARG 80 6.689 -5.433 0.887 599 HG3 ARG 80 2HG ARG 80 6.837 -6.504 -0.492 600 HD2 ARG 80 1HD ARG 80 8.808 -6.509 1.172 601 HD3 ARG 80 2HD ARG 80 9.227 -6.340 -0.521 602 HE ARG 80 HE ARG 80 9.277 -4.167 1.519 603 HH11 ARG 80 2HH2 ARG 80 9.895 -5.228 -1.779 604 HH12 ARG 80 1HH2 ARG 80 10.872 -3.853 -2.174 605 HH21 ARG 80 2HH1 ARG 80 10.566 -2.353 0.998 606 HH22 ARG 80 1HH1 ARG 80 11.256 -2.207 -0.584 607 H ILE 81 H ILE 81 3.507 -4.442 -2.039 608 HA ILE 81 HA ILE 81 3.512 -1.905 -3.391 609 HB ILE 81 HB ILE 81 1.272 -3.565 -2.230 610 HG12 ILE 81 1HG1 ILE 81 2.356 -4.813 -3.956 611 HG13 ILE 81 2HG1 ILE 81 0.860 -4.177 -4.608 612 HG21 ILE 81 1HG2 ILE 81 1.324 -0.870 -3.290 613 HG22 ILE 81 2HG2 ILE 81 0.297 -1.933 -4.282 614 HG23 ILE 81 3HG2 ILE 81 -0.009 -1.777 -2.536 615 HD11 ILE 81 1HD1 ILE 81 2.189 -3.470 -6.332 616 HD12 ILE 81 2HD1 ILE 81 2.588 -2.127 -5.234 617 HD13 ILE 81 3HD1 ILE 81 3.668 -3.537 -5.344 618 H TYR 82 H TYR 82 2.790 0.102 -2.517 619 HA TYR 82 HA TYR 82 2.798 0.157 0.426 620 HB2 TYR 82 1HB TYR 82 4.034 1.925 -1.762 621 HB3 TYR 82 2HB TYR 82 3.815 2.542 -0.137 622 HD1 TYR 82 2HD TYR 82 5.171 -0.607 -1.689 623 HD2 TYR 82 1HD TYR 82 5.726 2.533 1.164 624 HE1 TYR 82 2HE TYR 82 7.400 -1.617 -0.999 625 HE2 TYR 82 1HE TYR 82 7.953 1.512 1.844 626 HH TYR 82 HH TYR 82 9.057 -0.580 1.807 627 H VAL 83 H VAL 83 1.920 2.469 1.161 628 HA VAL 83 HA VAL 83 -0.255 3.308 -0.587 629 HB VAL 83 HB VAL 83 -1.298 1.615 0.717 630 HG11 VAL 83 1HG1 VAL 83 -1.048 2.561 3.407 631 HG12 VAL 83 2HG1 VAL 83 -0.542 0.999 2.721 632 HG13 VAL 83 3HG1 VAL 83 0.584 2.378 2.721 633 HG21 VAL 83 1HG2 VAL 83 -1.976 4.243 2.072 634 HG22 VAL 83 2HG2 VAL 83 -2.487 3.816 0.421 635 HG23 VAL 83 3HG2 VAL 83 -3.045 2.845 1.804 636 H TYR 84 H TYR 84 -0.174 5.484 -0.749 637 HA TYR 84 HA TYR 84 1.098 6.924 1.479 638 HB2 TYR 84 1HB TYR 84 0.814 7.318 -1.556 639 HB3 TYR 84 2HB TYR 84 1.334 8.638 -0.529 640 HD1 TYR 84 1HD TYR 84 2.212 4.990 -0.813 641 HD2 TYR 84 2HD TYR 84 3.609 9.030 -0.643 642 HE1 TYR 84 1HE TYR 84 4.615 4.174 -0.970 643 HE2 TYR 84 2HE TYR 84 6.007 8.200 -0.800 644 HH TYR 84 HH TYR 84 7.290 6.343 -0.488 645 H ARG 85 H ARG 85 0.291 9.206 1.800 646 HA ARG 85 HA ARG 85 -2.590 9.184 1.413 647 HB2 ARG 85 1HB ARG 85 -2.664 10.744 3.375 648 HB3 ARG 85 2HB ARG 85 -1.908 9.217 3.783 649 HG2 ARG 85 1HG ARG 85 -0.084 10.358 4.493 650 HG3 ARG 85 2HG ARG 85 0.213 10.848 2.837 651 HD2 ARG 85 1HD ARG 85 -0.760 12.954 3.129 652 HD3 ARG 85 2HD ARG 85 -1.878 12.392 4.355 653 HE ARG 85 HE ARG 85 0.794 13.431 4.809 654 HH11 ARG 85 2HH2 ARG 85 -1.592 11.174 6.072 655 HH12 ARG 85 1HH2 ARG 85 -0.984 11.239 7.692 656 HH21 ARG 85 2HH1 ARG 85 1.596 13.517 6.947 657 HH22 ARG 85 1HH1 ARG 85 0.842 12.581 8.194 658 H LYS 86 H LYS 86 -3.465 10.735 0.060 659 HA LYS 86 HA LYS 86 -1.715 12.578 -1.218 660 HB2 LYS 86 1HB LYS 86 -4.641 11.900 -1.403 661 HB3 LYS 86 2HB LYS 86 -4.025 13.340 -2.188 662 HG2 LYS 86 1HG LYS 86 -2.140 11.627 -3.067 663 HG3 LYS 86 2HG LYS 86 -3.400 10.447 -2.764 664 HD2 LYS 86 1HD LYS 86 -4.404 11.018 -4.712 665 HD3 LYS 86 2HD LYS 86 -4.660 12.641 -4.104 666 HE2 LYS 86 1HE LYS 86 -2.678 13.477 -5.094 667 HE3 LYS 86 2HE LYS 86 -1.931 11.894 -5.183 668 HZ1 LYS 86 1HZ LYS 86 -2.802 11.611 -7.170 669 HZ2 LYS 86 2HZ LYS 86 -4.319 11.930 -6.656 670 HZ3 LYS 86 3HZ LYS 86 -3.351 13.149 -7.148 671 H ASP 87 H ASP 87 -1.166 14.598 -0.595 672 HA ASP 87 HA ASP 87 -2.967 16.345 0.560 673 HB2 ASP 87 1HB ASP 87 -1.207 14.780 2.449 674 HB3 ASP 87 2HB ASP 87 -1.469 16.478 2.795 675 H LEU 88 H LEU 88 -2.003 18.478 0.559 676 HA LEU 88 HA LEU 88 -0.550 20.044 0.010 677 HB2 LEU 88 1HB LEU 88 1.276 18.054 1.321 678 HB3 LEU 88 2HB LEU 88 1.917 19.524 0.615 679 HG LEU 88 HG LEU 88 -0.042 19.275 2.905 680 HD11 LEU 88 1HD1 LEU 88 1.993 19.073 3.901 681 HD12 LEU 88 2HD1 LEU 88 2.840 19.982 2.627 682 HD13 LEU 88 3HD1 LEU 88 1.882 20.849 3.851 683 HD21 LEU 88 1HD2 LEU 88 0.329 21.899 2.865 684 HD22 LEU 88 2HD2 LEU 88 0.532 21.600 1.122 685 HD23 LEU 88 3HD2 LEU 88 -0.975 21.120 1.938 686 H ALA 89 H ALA 89 -0.156 20.637 -2.048 687 HA ALA 89 HA ALA 89 0.310 20.476 -4.210 688 HB1 ALA 89 1HB ALA 89 2.624 18.968 -2.955 689 HB2 ALA 89 2HB ALA 89 2.551 19.307 -4.701 690 HB3 ALA 89 3HB ALA 89 2.581 20.650 -3.534 691 H ASP 90 H ASP 90 1.164 18.598 -5.990 692 HA ASP 90 HA ASP 90 -0.922 16.622 -5.689 693 HB2 ASP 90 1HB ASP 90 0.687 17.737 -7.996 694 HB3 ASP 90 2HB ASP 90 -0.064 16.165 -8.182 695 H THR 91 H THR 91 1.161 16.063 -3.958 696 HA THR 91 HA THR 91 2.734 14.007 -5.367 697 HB THR 91 HB THR 91 4.046 15.959 -4.443 698 HG1 THR 91 1HG THR 91 5.407 14.239 -4.155 699 HG21 THR 91 1HG2 THR 91 4.304 15.641 -1.804 700 HG22 THR 91 2HG2 THR 91 3.029 16.706 -2.445 701 HG23 THR 91 3HG2 THR 91 2.628 15.053 -1.920 702 H LEU 92 H LEU 92 3.666 12.765 -2.942 703 HA LEU 92 HA LEU 92 1.187 11.834 -1.721 704 HB2 LEU 92 1HB LEU 92 3.033 10.237 -3.433 705 HB3 LEU 92 2HB LEU 92 2.348 9.466 -2.016 706 HG LEU 92 HG LEU 92 0.728 10.779 -4.217 707 HD11 LEU 92 1HD1 LEU 92 1.204 8.966 -5.420 708 HD12 LEU 92 2HD1 LEU 92 1.962 8.143 -4.035 709 HD13 LEU 92 3HD1 LEU 92 0.199 8.060 -4.263 710 HD21 LEU 92 1HD2 LEU 92 -0.102 9.123 -1.820 711 HD22 LEU 92 2HD2 LEU 92 -0.472 10.836 -2.133 712 HD23 LEU 92 3HD2 LEU 92 -1.175 9.570 -3.168 713 H ASN 93 H ASN 93 4.718 10.965 -1.806 714 HA ASN 93 HA ASN 93 6.244 11.007 -0.259 715 HB2 ASN 93 1HB ASN 93 4.419 12.438 1.714 716 HB3 ASN 93 2HB ASN 93 6.162 12.554 1.577 717 HD21 ASN 93 1HD2 ASN 93 6.404 12.814 -1.196 718 HD22 ASN 93 2HD2 ASN 93 5.790 14.355 -1.695 719 HA PRO 94 HA PRO 94 4.870 7.626 2.196 720 HB2 PRO 94 1HB PRO 94 7.220 6.967 3.426 721 HB3 PRO 94 2HB PRO 94 6.811 6.452 1.802 722 HG2 PRO 94 1HG PRO 94 8.705 8.554 2.658 723 HG3 PRO 94 2HG PRO 94 8.594 7.741 1.109 724 HD2 PRO 94 1HD PRO 94 7.688 10.393 1.725 725 HD3 PRO 94 2HD PRO 94 7.473 9.537 0.210 726 H PHE 95 H PHE 95 4.274 6.924 4.303 727 HA PHE 95 HA PHE 95 3.765 9.138 5.963 728 HB2 PHE 95 1HB PHE 95 3.492 6.122 5.961 729 HB3 PHE 95 2HB PHE 95 3.376 6.899 7.527 730 HD1 PHE 95 2HD PHE 95 1.647 8.790 7.776 731 HD2 PHE 95 1HD PHE 95 1.632 6.032 4.551 732 HE1 PHE 95 2HE PHE 95 -0.766 9.321 7.333 733 HE2 PHE 95 1HE PHE 95 -0.781 6.563 4.108 734 HZ PHE 95 HZ PHE 95 -1.951 8.201 5.504 735 H ALA 96 H ALA 96 4.296 8.929 8.459 736 HA ALA 96 HA ALA 96 5.798 8.954 10.086 737 HB1 ALA 96 1HB ALA 96 7.254 7.175 10.298 738 HB2 ALA 96 2HB ALA 96 6.191 6.534 9.023 739 HB3 ALA 96 3HB ALA 96 7.764 7.248 8.594 740 H GLU 97 H GLU 97 6.024 11.240 9.495 741 HA GLU 97 HA GLU 97 8.736 11.734 8.615 742 HB2 GLU 97 1HB GLU 97 6.273 12.540 7.172 743 HB3 GLU 97 2HB GLU 97 7.390 13.861 7.452 744 HG2 GLU 97 1HG GLU 97 8.372 11.202 6.351 745 HG3 GLU 97 2HG GLU 97 7.682 12.413 5.287 746 H ASN 98 H ASN 98 9.343 14.138 9.077 747 HA ASN 98 HA ASN 98 8.962 14.616 11.729 748 HB2 ASN 98 1HB ASN 98 9.910 16.249 9.376 749 HB3 ASN 98 2HB ASN 98 9.569 17.124 10.855 750 HD21 ASN 98 1HD2 ASN 98 12.012 17.367 10.239 751 HD22 ASN 98 2HD2 ASN 98 13.101 16.334 11.102 752 H SER 99 H SER 99 6.897 14.940 12.619 753 HA SER 99 HA SER 99 5.550 17.311 12.026 754 HB2 SER 99 1HB SER 99 4.840 15.929 10.034 755 HB3 SER 99 2HB SER 99 4.113 14.773 11.132 756 HG SER 99 HG SER 99 2.710 16.560 10.160 757 H GLY 100 H GLY 100 3.307 17.301 13.286 758 HA2 GLY 100 1HA GLY 100 3.859 16.257 15.909 759 HA3 GLY 100 2HA GLY 100 2.498 17.239 15.407 760 HA PRO 101 HA PRO 101 1.246 12.797 15.825 761 HB2 PRO 101 1HB PRO 101 0.045 12.809 18.280 762 HB3 PRO 101 2HB PRO 101 1.690 12.262 18.020 763 HG2 PRO 101 1HG PRO 101 0.746 14.793 19.223 764 HG3 PRO 101 2HG PRO 101 2.327 14.046 19.336 765 HD2 PRO 101 1HD PRO 101 1.601 16.286 17.699 766 HD3 PRO 101 2HD PRO 101 3.150 15.467 17.727 767 H SER 102 H SER 102 -0.848 11.856 15.539 768 HA SER 102 HA SER 102 -2.795 14.004 15.206 769 HB2 SER 102 1HB SER 102 -1.750 12.263 13.254 770 HB3 SER 102 2HB SER 102 -3.323 11.585 13.624 771 HG SER 102 HG SER 102 -3.122 13.365 11.905 772 H SER 103 H SER 103 -5.164 13.078 15.238 773 HA SER 103 HA SER 103 -5.666 10.649 16.451 774 HB2 SER 103 1HB SER 103 -4.541 12.146 18.355 775 HB3 SER 103 2HB SER 103 -6.143 12.846 18.466 776 HG SER 103 HG SER 103 -5.462 10.773 19.775 777 H GLY 104 H GLY 104 -6.764 14.116 16.713 778 HA2 GLY 104 1HA GLY 104 -9.097 13.550 15.107 779 HA3 GLY 104 2HA GLY 104 -9.448 13.831 16.801 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -21.518 -7.560 7.724 2 HA2 GLY 1 1HA GLY 1 -22.678 -9.044 5.620 3 HA3 GLY 1 2HA GLY 1 -21.753 -7.714 4.951 4 H SER 2 H SER 2 -20.958 -10.346 4.442 5 HA SER 2 HA SER 2 -18.397 -10.305 5.751 6 HB2 SER 2 1HB SER 2 -19.659 -11.823 7.195 7 HB3 SER 2 2HB SER 2 -20.257 -12.719 5.813 8 HG SER 2 HG SER 2 -17.539 -12.582 6.789 9 H SER 3 H SER 3 -20.518 -12.322 3.578 10 HA SER 3 HA SER 3 -20.242 -13.074 1.561 11 HB2 SER 3 1HB SER 3 -18.195 -10.827 1.359 12 HB3 SER 3 2HB SER 3 -18.634 -11.832 -0.008 13 HG SER 3 HG SER 3 -20.568 -10.352 1.557 14 H GLY 4 H GLY 4 -19.261 -14.967 0.877 15 HA2 GLY 4 1HA GLY 4 -16.792 -15.742 2.206 16 HA3 GLY 4 2HA GLY 4 -17.870 -16.757 1.269 17 H SER 5 H SER 5 -15.800 -17.551 0.271 18 HA SER 5 HA SER 5 -15.473 -16.408 -2.229 19 HB2 SER 5 1HB SER 5 -13.461 -15.605 -0.135 20 HB3 SER 5 2HB SER 5 -12.873 -15.940 -1.751 21 HG SER 5 HG SER 5 -15.030 -14.403 -2.106 22 H SER 6 H SER 6 -13.755 -17.630 -3.514 23 HA SER 6 HA SER 6 -12.426 -19.769 -2.297 24 HB2 SER 6 1HB SER 6 -15.182 -20.258 -3.074 25 HB3 SER 6 2HB SER 6 -14.120 -21.224 -4.079 26 HG SER 6 HG SER 6 -14.043 -21.135 -1.182 27 H GLY 7 H GLY 7 -11.382 -21.218 -4.063 28 HA2 GLY 7 1HA GLY 7 -10.491 -21.526 -6.137 29 HA3 GLY 7 2HA GLY 7 -11.453 -20.202 -6.763 30 H GLU 8 H GLU 8 -10.425 -18.300 -7.241 31 HA GLU 8 HA GLU 8 -7.686 -18.120 -6.994 32 HB2 GLU 8 1HB GLU 8 -7.991 -15.766 -7.745 33 HB3 GLU 8 2HB GLU 8 -8.939 -16.890 -8.699 34 HG2 GLU 8 1HG GLU 8 -10.735 -16.282 -6.693 35 HG3 GLU 8 2HG GLU 8 -9.850 -14.773 -6.804 36 H GLU 9 H GLU 9 -6.715 -18.201 -4.983 37 HA GLU 9 HA GLU 9 -7.680 -16.218 -3.072 38 HB2 GLU 9 1HB GLU 9 -6.673 -19.047 -2.636 39 HB3 GLU 9 2HB GLU 9 -6.610 -17.866 -1.343 40 HG2 GLU 9 1HG GLU 9 -9.230 -17.777 -2.619 41 HG3 GLU 9 2HG GLU 9 -8.854 -19.427 -2.162 42 H ILE 10 H ILE 10 -6.126 -14.893 -2.061 43 HA ILE 10 HA ILE 10 -3.400 -15.432 -2.015 44 HB ILE 10 HB ILE 10 -3.995 -15.024 -4.561 45 HG12 ILE 10 1HG1 ILE 10 -1.535 -13.575 -3.817 46 HG13 ILE 10 2HG1 ILE 10 -1.703 -15.146 -3.058 47 HG21 ILE 10 1HG2 ILE 10 -4.821 -12.617 -3.632 48 HG22 ILE 10 2HG2 ILE 10 -3.132 -12.243 -4.052 49 HG23 ILE 10 3HG2 ILE 10 -4.230 -12.907 -5.286 50 HD11 ILE 10 1HD1 ILE 10 -1.427 -16.273 -5.030 51 HD12 ILE 10 2HD1 ILE 10 -2.435 -15.120 -5.938 52 HD13 ILE 10 3HD1 ILE 10 -0.729 -14.740 -5.605 53 H PHE 11 H PHE 11 -2.149 -13.260 -1.516 54 HA PHE 11 HA PHE 11 -4.013 -11.514 -0.069 55 HB2 PHE 11 1HB PHE 11 -1.554 -13.071 0.694 56 HB3 PHE 11 2HB PHE 11 -1.569 -11.421 1.285 57 HD1 PHE 11 2HD PHE 11 -3.637 -10.672 2.625 58 HD2 PHE 11 1HD PHE 11 -2.718 -14.740 1.841 59 HE1 PHE 11 2HE PHE 11 -5.096 -11.371 4.544 60 HE2 PHE 11 1HE PHE 11 -4.177 -15.439 3.759 61 HZ PHE 11 HZ PHE 11 -5.349 -13.747 5.088 62 H CYS 12 H CYS 12 -3.183 -9.291 0.320 63 HA CYS 12 HA CYS 12 -1.243 -8.550 -1.750 64 HB2 CYS 12 1HB CYS 12 -3.352 -7.737 -2.497 65 HB3 CYS 12 2HB CYS 12 -3.791 -7.155 -0.904 66 HG CYS 12 HG CYS 12 -0.965 -6.161 -2.216 67 H HIS 13 H HIS 13 0.644 -8.223 -0.583 68 HA HIS 13 HA HIS 13 0.518 -7.256 2.100 69 HB2 HIS 13 1HB HIS 13 2.771 -7.953 0.211 70 HB3 HIS 13 2HB HIS 13 3.067 -7.260 1.794 71 HD1 HIS 13 1HD HIS 13 2.880 -10.440 0.189 72 HD2 HIS 13 2HD HIS 13 1.604 -8.963 3.902 73 HE1 HIS 13 1HE HIS 13 2.560 -12.474 1.696 74 H VAL 14 H VAL 14 -0.015 -5.157 2.475 75 HA VAL 14 HA VAL 14 1.178 -3.166 0.672 76 HB VAL 14 HB VAL 14 -1.489 -3.442 1.959 77 HG11 VAL 14 1HG1 VAL 14 -1.101 -1.446 3.038 78 HG12 VAL 14 2HG1 VAL 14 0.058 -0.879 1.812 79 HG13 VAL 14 3HG1 VAL 14 -1.687 -0.851 1.466 80 HG21 VAL 14 1HG2 VAL 14 -1.844 -1.971 -0.285 81 HG22 VAL 14 2HG2 VAL 14 -0.336 -2.818 -0.704 82 HG23 VAL 14 3HG2 VAL 14 -1.788 -3.750 -0.268 83 H TYR 15 H TYR 15 2.987 -2.356 1.613 84 HA TYR 15 HA TYR 15 3.196 -2.298 4.486 85 HB2 TYR 15 1HB TYR 15 4.848 -1.620 2.003 86 HB3 TYR 15 2HB TYR 15 5.415 -1.061 3.564 87 HD1 TYR 15 1HD TYR 15 3.769 -4.306 2.675 88 HD2 TYR 15 2HD TYR 15 7.326 -2.337 4.009 89 HE1 TYR 15 1HE TYR 15 4.871 -6.560 3.087 90 HE2 TYR 15 2HE TYR 15 8.415 -4.598 4.416 91 HH TYR 15 HH TYR 15 6.644 -7.604 3.724 92 H ILE 16 H ILE 16 2.825 -0.577 5.811 93 HA ILE 16 HA ILE 16 1.903 1.860 4.545 94 HB ILE 16 HB ILE 16 1.981 1.098 7.465 95 HG12 ILE 16 1HG1 ILE 16 -0.457 0.917 5.704 96 HG13 ILE 16 2HG1 ILE 16 0.664 -0.425 5.812 97 HG21 ILE 16 1HG2 ILE 16 0.496 2.885 7.853 98 HG22 ILE 16 2HG2 ILE 16 1.780 3.549 6.814 99 HG23 ILE 16 3HG2 ILE 16 0.198 3.128 6.115 100 HD11 ILE 16 1HD1 ILE 16 0.014 -0.966 7.937 101 HD12 ILE 16 2HD1 ILE 16 -0.064 0.738 8.446 102 HD13 ILE 16 3HD1 ILE 16 -1.425 0.011 7.559 103 H THR 17 H THR 17 4.316 0.890 7.085 104 HA THR 17 HA THR 17 5.824 3.311 6.341 105 HB THR 17 HB THR 17 6.384 3.554 8.641 106 HG1 THR 17 1HG THR 17 5.530 0.750 8.666 107 HG21 THR 17 1HG2 THR 17 4.335 3.336 9.951 108 HG22 THR 17 2HG2 THR 17 3.853 3.808 8.304 109 HG23 THR 17 3HG2 THR 17 3.690 2.115 8.828 110 H GLU 18 H GLU 18 7.920 1.977 8.278 111 HA GLU 18 HA GLU 18 9.225 0.643 6.083 112 HB2 GLU 18 1HB GLU 18 10.372 2.426 7.465 113 HB3 GLU 18 2HB GLU 18 10.317 1.345 8.843 114 HG2 GLU 18 1HG GLU 18 12.450 0.884 7.982 115 HG3 GLU 18 2HG GLU 18 11.497 -0.384 7.237 116 H HIS 19 H HIS 19 7.765 -0.008 9.259 117 HA HIS 19 HA HIS 19 8.254 -2.846 8.767 118 HB2 HIS 19 1HB HIS 19 8.256 -1.867 11.589 119 HB3 HIS 19 2HB HIS 19 9.023 -3.279 10.890 120 HD1 HIS 19 1HD HIS 19 10.046 -0.382 12.484 121 HD2 HIS 19 2HD HIS 19 11.105 -2.065 8.790 122 HE1 HIS 19 1HE HIS 19 12.320 0.602 11.875 123 H SER 20 H SER 20 5.977 -1.328 7.972 124 HA SER 20 HA SER 20 4.033 -2.598 9.706 125 HB2 SER 20 1HB SER 20 3.407 0.147 8.617 126 HB3 SER 20 2HB SER 20 2.706 -0.678 9.994 127 HG SER 20 HG SER 20 4.089 0.953 10.776 128 H TYR 21 H TYR 21 2.212 -3.422 8.571 129 HA TYR 21 HA TYR 21 1.761 -2.642 5.844 130 HB2 TYR 21 1HB TYR 21 2.485 -4.726 4.882 131 HB3 TYR 21 2HB TYR 21 3.737 -4.415 6.067 132 HD1 TYR 21 2HD TYR 21 3.075 -5.368 8.541 133 HD2 TYR 21 1HD TYR 21 1.655 -6.886 4.801 134 HE1 TYR 21 2HE TYR 21 2.597 -7.617 9.626 135 HE2 TYR 21 1HE TYR 21 1.183 -9.129 5.899 136 HH TYR 21 HH TYR 21 2.439 -9.992 8.848 137 H VAL 22 H VAL 22 0.084 -4.473 4.900 138 HA VAL 22 HA VAL 22 -1.681 -5.307 7.060 139 HB VAL 22 HB VAL 22 -2.541 -3.159 6.631 140 HG11 VAL 22 1HG1 VAL 22 -2.491 -3.748 3.653 141 HG12 VAL 22 2HG1 VAL 22 -2.979 -2.228 4.440 142 HG13 VAL 22 3HG1 VAL 22 -1.283 -2.764 4.514 143 HG21 VAL 22 1HG2 VAL 22 -4.757 -3.595 5.821 144 HG22 VAL 22 2HG2 VAL 22 -4.200 -5.000 4.882 145 HG23 VAL 22 3HG2 VAL 22 -4.189 -5.058 6.661 146 H SER 23 H SER 23 -2.544 -7.300 6.660 147 HA SER 23 HA SER 23 -1.849 -8.447 4.109 148 HB2 SER 23 1HB SER 23 -2.143 -10.568 5.143 149 HB3 SER 23 2HB SER 23 -1.412 -9.568 6.383 150 HG SER 23 HG SER 23 -3.095 -10.031 7.607 151 H VAL 24 H VAL 24 -3.388 -7.610 2.631 152 HA VAL 24 HA VAL 24 -6.199 -7.958 3.341 153 HB VAL 24 HB VAL 24 -4.865 -6.499 1.051 154 HG11 VAL 24 1HG1 VAL 24 -7.431 -7.453 1.093 155 HG12 VAL 24 2HG1 VAL 24 -7.644 -5.826 1.784 156 HG13 VAL 24 3HG1 VAL 24 -6.890 -6.021 0.183 157 HG21 VAL 24 1HG2 VAL 24 -5.927 -4.514 2.445 158 HG22 VAL 24 2HG2 VAL 24 -5.742 -5.662 3.792 159 HG23 VAL 24 3HG2 VAL 24 -4.320 -5.164 2.845 160 H LYS 25 H LYS 25 -7.528 -9.428 2.319 161 HA LYS 25 HA LYS 25 -6.189 -11.466 0.808 162 HB2 LYS 25 1HB LYS 25 -8.078 -11.664 2.621 163 HB3 LYS 25 2HB LYS 25 -9.157 -11.360 1.274 164 HG2 LYS 25 1HG LYS 25 -8.578 -13.350 0.168 165 HG3 LYS 25 2HG LYS 25 -6.989 -13.426 0.904 166 HD2 LYS 25 1HD LYS 25 -8.408 -13.707 3.163 167 HD3 LYS 25 2HD LYS 25 -9.656 -14.248 2.059 168 HE2 LYS 25 1HE LYS 25 -8.577 -16.219 1.603 169 HE3 LYS 25 2HE LYS 25 -7.010 -15.445 1.475 170 HZ1 LYS 25 1HZ LYS 25 -8.341 -15.892 4.051 171 HZ2 LYS 25 2HZ LYS 25 -7.304 -16.967 3.391 172 HZ3 LYS 25 3HZ LYS 25 -6.783 -15.474 3.797 173 H ALA 26 H ALA 26 -5.570 -10.795 -1.220 174 HA ALA 26 HA ALA 26 -7.586 -9.412 -2.824 175 HB1 ALA 26 1HB ALA 26 -4.658 -9.914 -3.465 176 HB2 ALA 26 2HB ALA 26 -5.753 -8.723 -4.206 177 HB3 ALA 26 3HB ALA 26 -5.220 -8.514 -2.521 178 H LYS 27 H LYS 27 -7.182 -10.119 -5.347 179 HA LYS 27 HA LYS 27 -7.419 -13.048 -5.327 180 HB2 LYS 27 1HB LYS 27 -8.837 -11.184 -7.241 181 HB3 LYS 27 2HB LYS 27 -9.107 -12.899 -7.005 182 HG2 LYS 27 1HG LYS 27 -9.544 -10.803 -4.826 183 HG3 LYS 27 2HG LYS 27 -10.818 -11.391 -5.875 184 HD2 LYS 27 1HD LYS 27 -9.356 -13.644 -4.729 185 HD3 LYS 27 2HD LYS 27 -9.891 -12.570 -3.452 186 HE2 LYS 27 1HE LYS 27 -12.126 -12.704 -5.146 187 HE3 LYS 27 2HE LYS 27 -11.486 -14.334 -5.205 188 HZ1 LYS 27 1HZ LYS 27 -11.787 -14.601 -2.973 189 HZ2 LYS 27 2HZ LYS 27 -11.743 -13.006 -2.627 190 HZ3 LYS 27 3HZ LYS 27 -13.069 -13.653 -3.328 191 H VAL 28 H VAL 28 -7.133 -13.830 -7.807 192 HA VAL 28 HA VAL 28 -4.429 -13.165 -8.402 193 HB VAL 28 HB VAL 28 -5.708 -15.405 -8.598 194 HG11 VAL 28 1HG1 VAL 28 -6.130 -15.006 -11.450 195 HG12 VAL 28 2HG1 VAL 28 -7.214 -15.705 -10.223 196 HG13 VAL 28 3HG1 VAL 28 -7.175 -13.944 -10.477 197 HG21 VAL 28 1HG2 VAL 28 -3.341 -15.004 -9.244 198 HG22 VAL 28 2HG2 VAL 28 -4.154 -16.197 -10.285 199 HG23 VAL 28 3HG2 VAL 28 -3.891 -14.537 -10.872 200 H SER 29 H SER 29 -7.443 -11.721 -9.112 201 HA SER 29 HA SER 29 -6.134 -10.134 -11.133 202 HB2 SER 29 1HB SER 29 -7.380 -11.905 -12.379 203 HB3 SER 29 2HB SER 29 -8.862 -11.430 -11.572 204 HG SER 29 HG SER 29 -7.321 -9.499 -13.050 205 H SER 30 H SER 30 -6.556 -9.431 -8.470 206 HA SER 30 HA SER 30 -9.030 -7.926 -8.466 207 HB2 SER 30 1HB SER 30 -8.497 -9.300 -6.472 208 HB3 SER 30 2HB SER 30 -6.985 -8.438 -6.260 209 HG SER 30 HG SER 30 -8.814 -6.517 -6.371 210 H ILE 31 H ILE 31 -9.040 -5.604 -8.075 211 HA ILE 31 HA ILE 31 -6.685 -4.330 -9.163 212 HB ILE 31 HB ILE 31 -8.172 -2.298 -9.042 213 HG12 ILE 31 1HG1 ILE 31 -10.399 -4.267 -8.492 214 HG13 ILE 31 2HG1 ILE 31 -9.635 -3.341 -7.214 215 HG21 ILE 31 1HG2 ILE 31 -9.684 -4.258 -10.654 216 HG22 ILE 31 2HG2 ILE 31 -8.877 -2.745 -11.131 217 HG23 ILE 31 3HG2 ILE 31 -7.925 -4.234 -10.926 218 HD11 ILE 31 1HD1 ILE 31 -11.266 -1.808 -7.736 219 HD12 ILE 31 2HD1 ILE 31 -10.112 -1.331 -9.004 220 HD13 ILE 31 3HD1 ILE 31 -11.458 -2.428 -9.394 221 H ALA 32 H ALA 32 -5.959 -2.199 -8.082 222 HA ALA 32 HA ALA 32 -5.041 -2.843 -5.505 223 HB1 ALA 32 1HB ALA 32 -3.575 -1.403 -6.489 224 HB2 ALA 32 2HB ALA 32 -4.843 -0.610 -7.455 225 HB3 ALA 32 3HB ALA 32 -4.608 -0.156 -5.750 226 H GLN 33 H GLN 33 -7.674 -0.714 -6.755 227 HA GLN 33 HA GLN 33 -8.345 0.581 -4.501 228 HB2 GLN 33 1HB GLN 33 -9.471 1.039 -6.591 229 HB3 GLN 33 2HB GLN 33 -10.118 -0.587 -6.680 230 HG2 GLN 33 1HG GLN 33 -11.989 0.278 -5.707 231 HG3 GLN 33 2HG GLN 33 -11.073 0.249 -4.212 232 HE21 GLN 33 1HE2 GLN 33 -9.677 2.148 -3.774 233 HE22 GLN 33 2HE2 GLN 33 -10.270 3.726 -4.174 234 H GLU 34 H GLU 34 -9.221 -2.793 -5.433 235 HA GLU 34 HA GLU 34 -10.989 -3.275 -3.393 236 HB2 GLU 34 1HB GLU 34 -9.090 -5.096 -4.917 237 HB3 GLU 34 2HB GLU 34 -10.219 -5.727 -3.735 238 HG2 GLU 34 1HG GLU 34 -11.611 -3.881 -5.505 239 HG3 GLU 34 2HG GLU 34 -10.742 -5.060 -6.466 240 H ILE 35 H ILE 35 -7.493 -2.920 -3.352 241 HA ILE 35 HA ILE 35 -7.351 -4.119 -0.694 242 HB ILE 35 HB ILE 35 -5.089 -3.087 -2.398 243 HG12 ILE 35 1HG1 ILE 35 -6.295 -4.737 -3.714 244 HG13 ILE 35 2HG1 ILE 35 -4.758 -5.385 -3.177 245 HG21 ILE 35 1HG2 ILE 35 -5.212 -3.984 0.260 246 HG22 ILE 35 2HG2 ILE 35 -4.502 -5.324 -0.672 247 HG23 ILE 35 3HG2 ILE 35 -3.761 -3.707 -0.733 248 HD11 ILE 35 1HD1 ILE 35 -7.402 -5.884 -1.735 249 HD12 ILE 35 2HD1 ILE 35 -6.679 -6.999 -2.920 250 HD13 ILE 35 3HD1 ILE 35 -5.837 -6.658 -1.389 251 H LEU 36 H LEU 36 -6.626 -1.057 -2.487 252 HA LEU 36 HA LEU 36 -5.775 0.413 -0.312 253 HB2 LEU 36 1HB LEU 36 -5.603 1.013 -2.717 254 HB3 LEU 36 2HB LEU 36 -7.315 1.388 -2.721 255 HG LEU 36 HG LEU 36 -6.749 3.055 -0.816 256 HD11 LEU 36 1HD1 LEU 36 -4.225 1.936 -1.085 257 HD12 LEU 36 2HD1 LEU 36 -4.087 3.505 -1.916 258 HD13 LEU 36 3HD1 LEU 36 -4.637 3.438 -0.224 259 HD21 LEU 36 1HD2 LEU 36 -5.840 4.703 -2.647 260 HD22 LEU 36 2HD2 LEU 36 -6.197 3.348 -3.746 261 HD23 LEU 36 3HD2 LEU 36 -7.493 4.050 -2.748 262 H LYS 37 H LYS 37 -9.092 -0.297 -1.511 263 HA LYS 37 HA LYS 37 -10.417 1.463 0.203 264 HB2 LYS 37 1HB LYS 37 -12.404 0.165 -0.345 265 HB3 LYS 37 2HB LYS 37 -11.444 0.469 -1.779 266 HG2 LYS 37 1HG LYS 37 -11.509 -1.769 -2.164 267 HG3 LYS 37 2HG LYS 37 -10.391 -1.946 -0.827 268 HD2 LYS 37 1HD LYS 37 -12.146 -2.404 0.740 269 HD3 LYS 37 2HD LYS 37 -13.384 -1.774 -0.328 270 HE2 LYS 37 1HE LYS 37 -12.955 -3.664 -1.926 271 HE3 LYS 37 2HE LYS 37 -11.736 -4.298 -0.838 272 HZ1 LYS 37 1HZ LYS 37 -13.292 -5.101 0.508 273 HZ2 LYS 37 2HZ LYS 37 -14.253 -3.784 0.412 274 HZ3 LYS 37 3HZ LYS 37 -14.319 -4.931 -0.749 275 H VAL 38 H VAL 38 -9.021 -1.778 0.665 276 HA VAL 38 HA VAL 38 -10.330 -2.131 3.199 277 HB VAL 38 HB VAL 38 -8.018 -3.666 2.007 278 HG11 VAL 38 1HG1 VAL 38 -8.963 -3.879 4.501 279 HG12 VAL 38 2HG1 VAL 38 -10.147 -4.924 3.681 280 HG13 VAL 38 3HG1 VAL 38 -8.409 -5.289 3.568 281 HG21 VAL 38 1HG2 VAL 38 -9.449 -4.964 0.729 282 HG22 VAL 38 2HG2 VAL 38 -10.883 -4.523 1.688 283 HG23 VAL 38 3HG2 VAL 38 -10.177 -3.350 0.550 284 H VAL 39 H VAL 39 -6.859 -1.806 2.149 285 HA VAL 39 HA VAL 39 -5.705 -1.533 4.569 286 HB VAL 39 HB VAL 39 -5.127 -0.063 1.992 287 HG11 VAL 39 1HG1 VAL 39 -2.754 -0.436 3.504 288 HG12 VAL 39 2HG1 VAL 39 -3.543 1.094 3.052 289 HG13 VAL 39 3HG1 VAL 39 -3.954 0.302 4.592 290 HG21 VAL 39 1HG2 VAL 39 -4.746 -2.213 1.373 291 HG22 VAL 39 2HG2 VAL 39 -3.199 -1.945 2.213 292 HG23 VAL 39 3HG2 VAL 39 -4.533 -2.776 3.048 293 H ALA 40 H ALA 40 -7.118 1.178 2.602 294 HA ALA 40 HA ALA 40 -6.649 3.273 4.201 295 HB1 ALA 40 1HB ALA 40 -9.089 2.470 2.597 296 HB2 ALA 40 2HB ALA 40 -9.010 4.036 3.439 297 HB3 ALA 40 3HB ALA 40 -7.813 3.640 2.182 298 H GLU 41 H GLU 41 -9.181 0.745 4.691 299 HA GLU 41 HA GLU 41 -10.194 2.021 6.992 300 HB2 GLU 41 1HB GLU 41 -10.520 -0.921 6.304 301 HB3 GLU 41 2HB GLU 41 -11.626 0.103 7.197 302 HG2 GLU 41 1HG GLU 41 -11.149 1.321 4.614 303 HG3 GLU 41 2HG GLU 41 -11.542 -0.368 4.360 304 H LYS 42 H LYS 42 -7.881 -0.672 6.350 305 HA LYS 42 HA LYS 42 -7.564 -1.532 8.960 306 HB2 LYS 42 1HB LYS 42 -6.284 -1.903 6.395 307 HB3 LYS 42 2HB LYS 42 -5.071 -1.778 7.652 308 HG2 LYS 42 1HG LYS 42 -5.741 -4.118 7.451 309 HG3 LYS 42 2HG LYS 42 -6.305 -3.509 8.995 310 HD2 LYS 42 1HD LYS 42 -8.384 -4.212 8.419 311 HD3 LYS 42 2HD LYS 42 -8.424 -2.920 7.236 312 HE2 LYS 42 1HE LYS 42 -8.916 -5.044 6.114 313 HE3 LYS 42 2HE LYS 42 -7.371 -4.445 5.544 314 HZ1 LYS 42 1HZ LYS 42 -7.323 -6.786 6.136 315 HZ2 LYS 42 2HZ LYS 42 -6.272 -5.926 7.042 316 HZ3 LYS 42 3HZ LYS 42 -7.684 -6.430 7.688 317 H ILE 43 H ILE 43 -6.600 1.448 7.400 318 HA ILE 43 HA ILE 43 -4.901 2.057 9.717 319 HB ILE 43 HB ILE 43 -3.581 3.392 8.407 320 HG12 ILE 43 1HG1 ILE 43 -5.720 3.501 6.261 321 HG13 ILE 43 2HG1 ILE 43 -5.470 4.733 7.481 322 HG21 ILE 43 1HG2 ILE 43 -3.720 0.861 7.718 323 HG22 ILE 43 2HG2 ILE 43 -4.340 1.528 6.189 324 HG23 ILE 43 3HG2 ILE 43 -2.733 2.009 6.782 325 HD11 ILE 43 1HD1 ILE 43 -3.647 3.937 5.197 326 HD12 ILE 43 2HD1 ILE 43 -4.222 5.557 5.659 327 HD13 ILE 43 3HD1 ILE 43 -2.976 4.743 6.636 328 H GLN 44 H GLN 44 -7.909 2.637 8.107 329 HA GLN 44 HA GLN 44 -9.616 3.859 8.701 330 HB2 GLN 44 1HB GLN 44 -7.955 5.145 10.908 331 HB3 GLN 44 2HB GLN 44 -9.704 5.089 10.800 332 HG2 GLN 44 1HG GLN 44 -9.469 2.503 10.819 333 HG3 GLN 44 2HG GLN 44 -7.800 2.761 11.288 334 HE21 GLN 44 1HE2 GLN 44 -9.528 1.390 12.892 335 HE22 GLN 44 2HE2 GLN 44 -9.874 2.279 14.338 336 H TYR 45 H TYR 45 -8.486 4.688 6.502 337 HA TYR 45 HA TYR 45 -8.336 7.603 6.801 338 HB2 TYR 45 1HB TYR 45 -6.317 5.646 5.979 339 HB3 TYR 45 2HB TYR 45 -6.751 6.596 4.572 340 HD1 TYR 45 1HD TYR 45 -5.282 6.726 7.957 341 HD2 TYR 45 2HD TYR 45 -6.147 8.937 4.397 342 HE1 TYR 45 1HE TYR 45 -3.742 8.593 8.734 343 HE2 TYR 45 2HE TYR 45 -4.603 10.796 5.186 344 HH TYR 45 HH TYR 45 -2.651 10.408 8.090 345 H ALA 46 H ALA 46 -7.905 8.059 3.979 346 HA ALA 46 HA ALA 46 -10.490 7.094 2.962 347 HB1 ALA 46 1HB ALA 46 -10.970 9.214 2.329 348 HB2 ALA 46 2HB ALA 46 -9.676 9.694 3.453 349 HB3 ALA 46 3HB ALA 46 -9.322 9.500 1.720 350 H GLU 47 H GLU 47 -9.968 5.317 1.731 351 HA GLU 47 HA GLU 47 -7.656 4.752 0.534 352 HB2 GLU 47 1HB GLU 47 -9.033 3.425 -1.139 353 HB3 GLU 47 2HB GLU 47 -9.439 3.141 0.542 354 HG2 GLU 47 1HG GLU 47 -11.340 4.758 0.359 355 HG3 GLU 47 2HG GLU 47 -10.932 5.050 -1.320 356 H GLU 48 H GLU 48 -10.244 6.915 -0.723 357 HA GLU 48 HA GLU 48 -9.202 7.235 -3.257 358 HB2 GLU 48 1HB GLU 48 -10.554 9.359 -3.276 359 HB3 GLU 48 2HB GLU 48 -11.456 7.957 -2.737 360 HG2 GLU 48 1HG GLU 48 -10.440 8.856 -0.336 361 HG3 GLU 48 2HG GLU 48 -10.606 10.371 -1.201 362 H ASP 49 H ASP 49 -8.466 8.865 -0.143 363 HA ASP 49 HA ASP 49 -6.797 10.783 -1.400 364 HB2 ASP 49 1HB ASP 49 -7.133 9.932 1.514 365 HB3 ASP 49 2HB ASP 49 -6.122 11.272 1.011 366 H LEU 50 H LEU 50 -6.538 7.474 -0.847 367 HA LEU 50 HA LEU 50 -3.659 7.612 -0.301 368 HB2 LEU 50 1HB LEU 50 -5.597 5.317 0.024 369 HB3 LEU 50 2HB LEU 50 -3.875 5.248 0.341 370 HG LEU 50 HG LEU 50 -5.935 6.889 1.837 371 HD11 LEU 50 1HD1 LEU 50 -4.377 4.391 2.472 372 HD12 LEU 50 2HD1 LEU 50 -5.007 5.446 3.760 373 HD13 LEU 50 3HD1 LEU 50 -6.126 4.695 2.597 374 HD21 LEU 50 1HD2 LEU 50 -2.975 7.099 1.739 375 HD22 LEU 50 2HD2 LEU 50 -4.210 8.330 2.096 376 HD23 LEU 50 3HD2 LEU 50 -3.732 7.159 3.348 377 H ALA 51 H ALA 51 -2.626 5.411 -1.383 378 HA ALA 51 HA ALA 51 -3.639 4.647 -3.874 379 HB1 ALA 51 1HB ALA 51 -1.853 7.068 -3.806 380 HB2 ALA 51 2HB ALA 51 -1.681 5.904 -5.142 381 HB3 ALA 51 3HB ALA 51 -3.242 6.711 -4.860 382 H LEU 52 H LEU 52 -2.467 2.875 -4.637 383 HA LEU 52 HA LEU 52 -0.426 1.939 -2.832 384 HB2 LEU 52 1HB LEU 52 -1.750 0.694 -5.244 385 HB3 LEU 52 2HB LEU 52 -0.562 -0.109 -4.237 386 HG LEU 52 HG LEU 52 -3.264 0.893 -3.297 387 HD11 LEU 52 1HD1 LEU 52 -2.596 -1.436 -4.765 388 HD12 LEU 52 2HD1 LEU 52 -2.946 -1.947 -3.096 389 HD13 LEU 52 3HD1 LEU 52 -4.151 -1.008 -4.011 390 HD21 LEU 52 1HD2 LEU 52 -2.749 -0.456 -1.256 391 HD22 LEU 52 2HD2 LEU 52 -1.082 -0.631 -1.855 392 HD23 LEU 52 3HD2 LEU 52 -1.725 0.984 -1.469 393 H VAL 53 H VAL 53 1.657 2.534 -3.056 394 HA VAL 53 HA VAL 53 2.585 3.059 -5.795 395 HB VAL 53 HB VAL 53 3.617 4.898 -5.083 396 HG11 VAL 53 1HG1 VAL 53 2.087 4.609 -2.487 397 HG12 VAL 53 2HG1 VAL 53 2.509 6.098 -3.365 398 HG13 VAL 53 3HG1 VAL 53 1.293 4.984 -4.035 399 HG21 VAL 53 1HG2 VAL 53 4.288 3.567 -2.437 400 HG22 VAL 53 2HG2 VAL 53 5.322 3.557 -3.885 401 HG23 VAL 53 3HG2 VAL 53 4.959 5.092 -3.061 402 H ALA 54 H ALA 54 3.803 1.430 -6.589 403 HA ALA 54 HA ALA 54 5.072 -0.378 -4.707 404 HB1 ALA 54 1HB ALA 54 3.675 -1.035 -6.783 405 HB2 ALA 54 2HB ALA 54 5.101 -0.549 -7.732 406 HB3 ALA 54 3HB ALA 54 5.231 -1.865 -6.541 407 H ILE 55 H ILE 55 7.346 -0.830 -4.715 408 HA ILE 55 HA ILE 55 8.945 1.190 -6.119 409 HB ILE 55 HB ILE 55 9.446 0.239 -3.300 410 HG12 ILE 55 1HG1 ILE 55 7.843 2.545 -4.342 411 HG13 ILE 55 2HG1 ILE 55 7.529 1.487 -2.981 412 HG21 ILE 55 1HG2 ILE 55 11.401 0.983 -4.705 413 HG22 ILE 55 2HG2 ILE 55 10.647 2.594 -4.771 414 HG23 ILE 55 3HG2 ILE 55 11.138 1.904 -3.205 415 HD11 ILE 55 1HD1 ILE 55 8.201 3.728 -2.193 416 HD12 ILE 55 2HD1 ILE 55 9.427 2.523 -1.731 417 HD13 ILE 55 3HD1 ILE 55 9.722 3.609 -3.110 418 H THR 56 H THR 56 11.175 0.497 -6.579 419 HA THR 56 HA THR 56 11.308 -2.437 -6.796 420 HB THR 56 HB THR 56 11.138 -1.200 -8.958 421 HG1 THR 56 1HG THR 56 13.119 -2.203 -9.752 422 HG21 THR 56 1HG2 THR 56 12.475 0.595 -9.514 423 HG22 THR 56 2HG2 THR 56 12.678 0.775 -7.755 424 HG23 THR 56 3HG2 THR 56 13.897 -0.107 -8.706 425 H PHE 57 H PHE 57 13.929 -2.873 -7.309 426 HA PHE 57 HA PHE 57 15.028 -2.613 -4.722 427 HB2 PHE 57 1HB PHE 57 16.757 -3.989 -5.700 428 HB3 PHE 57 2HB PHE 57 15.323 -4.420 -6.609 429 HD1 PHE 57 1HD PHE 57 18.520 -2.636 -6.723 430 HD2 PHE 57 2HD PHE 57 15.087 -3.793 -8.934 431 HE1 PHE 57 1HE PHE 57 19.695 -2.040 -8.860 432 HE2 PHE 57 2HE PHE 57 16.262 -3.196 -11.071 433 HZ PHE 57 HZ PHE 57 18.552 -2.327 -11.008 434 H SER 58 H SER 58 15.724 -1.073 -7.922 435 HA SER 58 HA SER 58 17.985 0.249 -7.277 436 HB2 SER 58 1HB SER 58 15.850 0.503 -9.257 437 HB3 SER 58 2HB SER 58 16.471 2.083 -8.821 438 HG SER 58 HG SER 58 17.560 0.557 -10.585 439 H GLY 59 H GLY 59 14.631 0.928 -6.292 440 HA2 GLY 59 1HA GLY 59 14.131 2.101 -4.333 441 HA3 GLY 59 2HA GLY 59 15.635 2.991 -4.463 442 H GLU 60 H GLU 60 12.581 2.434 -6.362 443 HA GLU 60 HA GLU 60 12.455 5.311 -6.699 444 HB2 GLU 60 1HB GLU 60 12.310 5.271 -9.021 445 HB3 GLU 60 2HB GLU 60 13.468 3.984 -8.750 446 HG2 GLU 60 1HG GLU 60 11.547 2.323 -8.785 447 HG3 GLU 60 2HG GLU 60 10.466 3.638 -9.199 448 H LYS 61 H LYS 61 10.386 6.124 -6.425 449 HA LYS 61 HA LYS 61 8.382 4.241 -5.616 450 HB2 LYS 61 1HB LYS 61 8.775 7.192 -5.519 451 HB3 LYS 61 2HB LYS 61 7.120 6.618 -5.529 452 HG2 LYS 61 1HG LYS 61 7.655 5.087 -3.607 453 HG3 LYS 61 2HG LYS 61 9.294 5.707 -3.584 454 HD2 LYS 61 1HD LYS 61 7.708 8.033 -3.536 455 HD3 LYS 61 2HD LYS 61 6.826 6.913 -2.517 456 HE2 LYS 61 1HE LYS 61 8.280 7.411 -0.846 457 HE3 LYS 61 2HE LYS 61 9.514 6.549 -1.743 458 HZ1 LYS 61 1HZ LYS 61 9.968 8.631 -2.919 459 HZ2 LYS 61 2HZ LYS 61 8.895 9.411 -1.968 460 HZ3 LYS 61 3HZ LYS 61 10.238 8.752 -1.313 461 H HIS 62 H HIS 62 6.319 3.916 -6.600 462 HA HIS 62 HA HIS 62 5.895 5.108 -9.186 463 HB2 HIS 62 1HB HIS 62 7.029 2.457 -8.899 464 HB3 HIS 62 2HB HIS 62 5.459 2.366 -9.671 465 HD1 HIS 62 1HD HIS 62 8.400 4.817 -10.071 466 HD2 HIS 62 2HD HIS 62 5.853 2.395 -12.361 467 HE1 HIS 62 1HE HIS 62 9.061 5.187 -12.507 468 H GLU 63 H GLU 63 3.853 5.864 -8.949 469 HA GLU 63 HA GLU 63 2.080 4.399 -7.216 470 HB2 GLU 63 1HB GLU 63 2.225 7.166 -8.326 471 HB3 GLU 63 2HB GLU 63 0.606 6.535 -8.096 472 HG2 GLU 63 1HG GLU 63 0.801 7.105 -5.907 473 HG3 GLU 63 2HG GLU 63 1.928 5.773 -5.739 474 H LEU 64 H LEU 64 0.515 3.012 -7.944 475 HA LEU 64 HA LEU 64 0.231 2.734 -10.808 476 HB2 LEU 64 1HB LEU 64 -0.926 1.130 -8.524 477 HB3 LEU 64 2HB LEU 64 -1.041 0.722 -10.224 478 HG LEU 64 HG LEU 64 0.663 -0.646 -9.386 479 HD11 LEU 64 1HD1 LEU 64 2.512 -0.128 -10.703 480 HD12 LEU 64 2HD1 LEU 64 1.183 0.760 -11.488 481 HD13 LEU 64 3HD1 LEU 64 2.336 1.624 -10.442 482 HD21 LEU 64 1HD2 LEU 64 0.921 0.581 -7.231 483 HD22 LEU 64 2HD2 LEU 64 2.457 0.025 -7.941 484 HD23 LEU 64 3HD2 LEU 64 1.986 1.737 -8.066 485 H GLN 65 H GLN 65 -2.643 1.677 -9.541 486 HA GLN 65 HA GLN 65 -3.951 4.203 -9.393 487 HB2 GLN 65 1HB GLN 65 -4.271 2.414 -11.826 488 HB3 GLN 65 2HB GLN 65 -5.554 3.499 -11.328 489 HG2 GLN 65 1HG GLN 65 -3.456 5.241 -11.243 490 HG3 GLN 65 2HG GLN 65 -2.855 4.142 -12.468 491 HE21 GLN 65 1HE2 GLN 65 -5.088 6.611 -11.669 492 HE22 GLN 65 2HE2 GLN 65 -5.873 6.784 -13.203 493 HA PRO 66 HA PRO 66 -6.899 1.775 -7.319 494 HB2 PRO 66 1HB PRO 66 -9.335 2.832 -7.964 495 HB3 PRO 66 2HB PRO 66 -8.248 3.570 -6.805 496 HG2 PRO 66 1HG PRO 66 -8.841 4.401 -9.579 497 HG3 PRO 66 2HG PRO 66 -8.111 5.332 -8.286 498 HD2 PRO 66 1HD PRO 66 -6.759 4.136 -10.515 499 HD3 PRO 66 2HD PRO 66 -6.017 4.967 -9.163 500 H ASN 67 H ASN 67 -6.313 1.182 -10.339 501 HA ASN 67 HA ASN 67 -8.380 -0.872 -10.402 502 HB2 ASN 67 1HB ASN 67 -7.790 -0.619 -13.050 503 HB3 ASN 67 2HB ASN 67 -9.071 0.299 -12.284 504 HD21 ASN 67 1HD2 ASN 67 -6.026 0.367 -13.826 505 HD22 ASN 67 2HD2 ASN 67 -5.719 2.070 -13.772 506 H ASP 68 H ASP 68 -5.054 0.247 -11.200 507 HA ASP 68 HA ASP 68 -3.999 -1.806 -12.508 508 HB2 ASP 68 1HB ASP 68 -3.033 0.201 -10.590 509 HB3 ASP 68 2HB ASP 68 -2.077 -1.265 -10.498 510 H LEU 69 H LEU 69 -3.776 -4.018 -12.107 511 HA LEU 69 HA LEU 69 -4.827 -5.231 -9.872 512 HB2 LEU 69 1HB LEU 69 -3.680 -5.985 -12.308 513 HB3 LEU 69 2HB LEU 69 -2.707 -6.785 -11.089 514 HG LEU 69 HG LEU 69 -4.746 -7.794 -10.121 515 HD11 LEU 69 1HD1 LEU 69 -6.149 -6.411 -12.423 516 HD12 LEU 69 2HD1 LEU 69 -6.865 -7.700 -11.425 517 HD13 LEU 69 3HD1 LEU 69 -6.406 -6.149 -10.681 518 HD21 LEU 69 1HD2 LEU 69 -3.985 -9.433 -11.433 519 HD22 LEU 69 2HD2 LEU 69 -5.311 -8.988 -12.535 520 HD23 LEU 69 3HD2 LEU 69 -3.677 -8.330 -12.796 521 H VAL 70 H VAL 70 -3.917 -6.198 -7.988 522 HA VAL 70 HA VAL 70 -1.355 -4.972 -7.244 523 HB VAL 70 HB VAL 70 -2.615 -5.900 -4.945 524 HG11 VAL 70 1HG1 VAL 70 -2.510 -3.125 -6.170 525 HG12 VAL 70 2HG1 VAL 70 -2.957 -3.469 -4.482 526 HG13 VAL 70 3HG1 VAL 70 -1.323 -3.864 -5.068 527 HG21 VAL 70 1HG2 VAL 70 -4.644 -4.664 -6.832 528 HG22 VAL 70 2HG2 VAL 70 -4.721 -6.258 -6.043 529 HG23 VAL 70 3HG2 VAL 70 -4.860 -4.775 -5.069 530 H ILE 71 H ILE 71 -1.355 -7.266 -8.909 531 HA ILE 71 HA ILE 71 -0.176 -9.166 -7.036 532 HB ILE 71 HB ILE 71 -2.378 -10.027 -7.363 533 HG12 ILE 71 1HG1 ILE 71 -1.022 -11.826 -9.263 534 HG13 ILE 71 2HG1 ILE 71 -0.065 -11.429 -7.850 535 HG21 ILE 71 1HG2 ILE 71 -2.614 -8.708 -9.612 536 HG22 ILE 71 2HG2 ILE 71 -2.036 -10.228 -10.336 537 HG23 ILE 71 3HG2 ILE 71 -3.520 -10.218 -9.353 538 HD11 ILE 71 1HD1 ILE 71 -2.905 -12.024 -7.228 539 HD12 ILE 71 2HD1 ILE 71 -2.008 -13.391 -7.931 540 HD13 ILE 71 3HD1 ILE 71 -1.421 -12.613 -6.442 541 H SER 72 H SER 72 -0.752 -8.230 -10.488 542 HA SER 72 HA SER 72 1.278 -9.620 -11.607 543 HB2 SER 72 1HB SER 72 -0.423 -8.273 -12.838 544 HB3 SER 72 2HB SER 72 0.365 -6.796 -12.320 545 HG SER 72 HG SER 72 2.335 -7.617 -13.435 546 H LYS 73 H LYS 73 3.522 -9.463 -11.683 547 HA LYS 73 HA LYS 73 4.900 -7.061 -11.206 548 HB2 LYS 73 1HB LYS 73 5.991 -7.761 -9.041 549 HB3 LYS 73 2HB LYS 73 4.330 -7.216 -8.917 550 HG2 LYS 73 1HG LYS 73 3.682 -9.209 -8.051 551 HG3 LYS 73 2HG LYS 73 4.326 -10.069 -9.435 552 HD2 LYS 73 1HD LYS 73 6.039 -9.116 -7.093 553 HD3 LYS 73 2HD LYS 73 5.355 -10.726 -7.200 554 HE2 LYS 73 1HE LYS 73 6.595 -11.162 -9.295 555 HE3 LYS 73 2HE LYS 73 7.200 -9.517 -9.315 556 HZ1 LYS 73 1HZ LYS 73 8.639 -11.344 -8.323 557 HZ2 LYS 73 2HZ LYS 73 8.542 -9.928 -7.515 558 HZ3 LYS 73 3HZ LYS 73 7.691 -11.223 -6.999 559 H SER 74 H SER 74 6.434 -7.357 -12.728 560 HA SER 74 HA SER 74 7.492 -10.050 -12.990 561 HB2 SER 74 1HB SER 74 7.540 -7.650 -14.868 562 HB3 SER 74 2HB SER 74 8.414 -9.134 -15.191 563 HG SER 74 HG SER 74 5.601 -9.219 -14.598 564 H LEU 75 H LEU 75 8.815 -6.711 -13.584 565 HA LEU 75 HA LEU 75 10.921 -7.241 -11.658 566 HB2 LEU 75 1HB LEU 75 11.310 -7.062 -14.611 567 HB3 LEU 75 2HB LEU 75 12.506 -6.321 -13.566 568 HG LEU 75 HG LEU 75 12.148 -8.853 -12.456 569 HD11 LEU 75 1HD1 LEU 75 10.863 -9.381 -14.587 570 HD12 LEU 75 2HD1 LEU 75 12.419 -9.235 -15.440 571 HD13 LEU 75 3HD1 LEU 75 12.211 -10.467 -14.172 572 HD21 LEU 75 1HD2 LEU 75 14.218 -7.288 -13.156 573 HD22 LEU 75 2HD2 LEU 75 14.388 -9.007 -12.727 574 HD23 LEU 75 3HD2 LEU 75 14.332 -8.518 -14.437 575 H GLU 76 H GLU 76 9.644 -4.993 -14.205 576 HA GLU 76 HA GLU 76 10.718 -2.702 -13.272 577 HB2 GLU 76 1HB GLU 76 8.155 -3.369 -14.707 578 HB3 GLU 76 2HB GLU 76 8.376 -1.724 -14.144 579 HG2 GLU 76 1HG GLU 76 10.738 -1.878 -15.290 580 HG3 GLU 76 2HG GLU 76 10.085 -3.277 -16.120 581 H ALA 77 H ALA 77 7.646 -4.293 -12.200 582 HA ALA 77 HA ALA 77 7.783 -2.606 -9.797 583 HB1 ALA 77 1HB ALA 77 5.097 -3.527 -10.508 584 HB2 ALA 77 2HB ALA 77 5.673 -1.886 -10.129 585 HB3 ALA 77 3HB ALA 77 5.817 -2.519 -11.786 586 H SER 78 H SER 78 8.035 -3.782 -7.967 587 HA SER 78 HA SER 78 6.582 -6.022 -7.381 588 HB2 SER 78 1HB SER 78 7.789 -7.873 -7.999 589 HB3 SER 78 2HB SER 78 8.341 -6.811 -9.278 590 HG SER 78 HG SER 78 10.225 -6.305 -8.004 591 H GLY 79 H GLY 79 7.704 -7.263 -5.403 592 HA2 GLY 79 1HA GLY 79 9.413 -7.072 -3.712 593 HA3 GLY 79 2HA GLY 79 9.391 -5.333 -3.929 594 H ARG 80 H ARG 80 7.712 -4.052 -3.002 595 HA ARG 80 HA ARG 80 5.644 -5.477 -1.608 596 HB2 ARG 80 1HB ARG 80 7.811 -3.837 -0.250 597 HB3 ARG 80 2HB ARG 80 6.213 -3.915 0.465 598 HG2 ARG 80 1HG ARG 80 6.728 -5.925 1.372 599 HG3 ARG 80 2HG ARG 80 6.893 -6.601 -0.237 600 HD2 ARG 80 1HD ARG 80 9.295 -5.383 -0.120 601 HD3 ARG 80 2HD ARG 80 9.034 -5.539 1.606 602 HE ARG 80 HE ARG 80 8.440 -8.043 0.311 603 HH11 ARG 80 2HH2 ARG 80 11.154 -6.004 1.235 604 HH12 ARG 80 1HH2 ARG 80 12.268 -7.324 1.361 605 HH21 ARG 80 2HH1 ARG 80 9.909 -9.785 0.477 606 HH22 ARG 80 1HH1 ARG 80 11.555 -9.490 0.926 607 H ILE 81 H ILE 81 3.735 -4.352 -1.901 608 HA ILE 81 HA ILE 81 3.850 -1.786 -3.152 609 HB ILE 81 HB ILE 81 1.580 -3.554 -2.246 610 HG12 ILE 81 1HG1 ILE 81 2.763 -4.555 -4.055 611 HG13 ILE 81 2HG1 ILE 81 1.288 -3.870 -4.708 612 HG21 ILE 81 1HG2 ILE 81 0.954 -1.446 -4.183 613 HG22 ILE 81 2HG2 ILE 81 0.059 -1.996 -2.746 614 HG23 ILE 81 3HG2 ILE 81 1.392 -0.830 -2.572 615 HD11 ILE 81 1HD1 ILE 81 4.133 -2.954 -5.069 616 HD12 ILE 81 2HD1 ILE 81 2.822 -3.076 -6.266 617 HD13 ILE 81 3HD1 ILE 81 2.845 -1.726 -5.106 618 H TYR 82 H TYR 82 3.353 0.230 -2.295 619 HA TYR 82 HA TYR 82 2.913 0.255 0.616 620 HB2 TYR 82 1HB TYR 82 4.588 1.947 -1.330 621 HB3 TYR 82 2HB TYR 82 4.218 2.528 0.282 622 HD1 TYR 82 1HD TYR 82 5.057 1.217 2.287 623 HD2 TYR 82 2HD TYR 82 6.354 0.394 -1.706 624 HE1 TYR 82 1HE TYR 82 7.079 -0.029 3.193 625 HE2 TYR 82 2HE TYR 82 8.371 -0.850 -0.786 626 HH TYR 82 HH TYR 82 9.668 -0.537 1.768 627 H VAL 83 H VAL 83 1.854 2.294 1.415 628 HA VAL 83 HA VAL 83 0.125 3.458 -0.651 629 HB VAL 83 HB VAL 83 -1.267 1.901 0.400 630 HG11 VAL 83 1HG1 VAL 83 -0.480 0.975 2.291 631 HG12 VAL 83 2HG1 VAL 83 0.396 2.452 2.760 632 HG13 VAL 83 3HG1 VAL 83 -1.338 2.291 3.129 633 HG21 VAL 83 1HG2 VAL 83 -2.984 3.228 1.188 634 HG22 VAL 83 2HG2 VAL 83 -1.897 4.252 2.157 635 HG23 VAL 83 3HG2 VAL 83 -1.959 4.444 0.388 636 H TYR 84 H TYR 84 -0.024 5.671 -0.592 637 HA TYR 84 HA TYR 84 1.222 6.967 1.739 638 HB2 TYR 84 1HB TYR 84 1.208 7.474 -1.291 639 HB3 TYR 84 2HB TYR 84 1.655 8.753 -0.181 640 HD1 TYR 84 1HD TYR 84 2.498 5.100 -0.503 641 HD2 TYR 84 2HD TYR 84 3.937 9.107 -0.081 642 HE1 TYR 84 1HE TYR 84 4.892 4.244 -0.472 643 HE2 TYR 84 2HE TYR 84 6.326 8.238 -0.052 644 HH TYR 84 HH TYR 84 7.238 5.440 -1.159 645 H ARG 85 H ARG 85 0.355 9.061 2.354 646 HA ARG 85 HA ARG 85 -2.453 9.188 1.702 647 HB2 ARG 85 1HB ARG 85 -2.491 10.850 3.654 648 HB3 ARG 85 2HB ARG 85 -2.008 9.220 4.078 649 HG2 ARG 85 1HG ARG 85 0.060 9.902 4.736 650 HG3 ARG 85 2HG ARG 85 0.319 10.792 3.249 651 HD2 ARG 85 1HD ARG 85 -0.799 12.759 4.111 652 HD3 ARG 85 2HD ARG 85 -1.465 11.877 5.470 653 HE ARG 85 HE ARG 85 1.289 12.889 5.215 654 HH11 ARG 85 2HH2 ARG 85 -0.882 10.728 6.946 655 HH12 ARG 85 1HH2 ARG 85 0.125 10.636 8.352 656 HH21 ARG 85 2HH1 ARG 85 2.618 12.767 7.069 657 HH22 ARG 85 1HH1 ARG 85 2.130 11.803 8.422 658 H LYS 86 H LYS 86 -3.232 10.729 0.286 659 HA LYS 86 HA LYS 86 -1.472 12.504 -0.989 660 HB2 LYS 86 1HB LYS 86 -4.479 12.192 -0.973 661 HB3 LYS 86 2HB LYS 86 -3.678 13.435 -1.913 662 HG2 LYS 86 1HG LYS 86 -2.190 11.496 -2.851 663 HG3 LYS 86 2HG LYS 86 -3.395 10.417 -2.176 664 HD2 LYS 86 1HD LYS 86 -4.568 10.704 -4.101 665 HD3 LYS 86 2HD LYS 86 -4.953 12.314 -3.524 666 HE2 LYS 86 1HE LYS 86 -3.214 13.330 -4.789 667 HE3 LYS 86 2HE LYS 86 -2.325 11.829 -4.959 668 HZ1 LYS 86 1HZ LYS 86 -4.610 12.767 -6.448 669 HZ2 LYS 86 2HZ LYS 86 -3.321 11.902 -6.954 670 HZ3 LYS 86 3HZ LYS 86 -4.543 11.160 -6.165 671 H ASP 87 H ASP 87 -1.459 14.854 -0.963 672 HA ASP 87 HA ASP 87 -2.881 16.432 0.687 673 HB2 ASP 87 1HB ASP 87 -0.715 14.967 2.120 674 HB3 ASP 87 2HB ASP 87 -0.704 16.700 2.378 675 H LEU 88 H LEU 88 0.729 15.907 0.508 676 HA LEU 88 HA LEU 88 1.206 18.584 -0.276 677 HB2 LEU 88 1HB LEU 88 2.846 16.097 0.025 678 HB3 LEU 88 2HB LEU 88 3.527 17.489 -0.795 679 HG LEU 88 HG LEU 88 2.516 17.378 2.058 680 HD11 LEU 88 1HD1 LEU 88 5.186 17.199 0.777 681 HD12 LEU 88 2HD1 LEU 88 5.069 18.201 2.244 682 HD13 LEU 88 3HD1 LEU 88 4.581 16.490 2.294 683 HD21 LEU 88 1HD2 LEU 88 2.126 19.561 1.914 684 HD22 LEU 88 2HD2 LEU 88 3.879 19.784 1.697 685 HD23 LEU 88 3HD2 LEU 88 2.816 19.648 0.275 686 H ALA 89 H ALA 89 -0.589 18.345 -2.040 687 HA ALA 89 HA ALA 89 -1.085 18.399 -4.194 688 HB1 ALA 89 1HB ALA 89 0.499 19.551 -5.290 689 HB2 ALA 89 2HB ALA 89 1.674 19.116 -4.026 690 HB3 ALA 89 3HB ALA 89 1.481 18.076 -5.458 691 H ASP 90 H ASP 90 0.101 17.052 -6.456 692 HA ASP 90 HA ASP 90 -1.099 14.615 -6.218 693 HB2 ASP 90 1HB ASP 90 0.216 16.085 -8.215 694 HB3 ASP 90 2HB ASP 90 1.191 14.634 -8.089 695 H THR 91 H THR 91 2.128 15.744 -5.301 696 HA THR 91 HA THR 91 3.590 13.398 -5.359 697 HB THR 91 HB THR 91 3.856 15.432 -3.125 698 HG1 THR 91 1HG THR 91 3.826 16.965 -4.717 699 HG21 THR 91 1HG2 THR 91 5.631 13.721 -4.844 700 HG22 THR 91 2HG2 THR 91 6.230 15.355 -4.471 701 HG23 THR 91 3HG2 THR 91 5.847 14.225 -3.150 702 H LEU 92 H LEU 92 4.438 12.288 -3.244 703 HA LEU 92 HA LEU 92 2.219 11.803 -1.420 704 HB2 LEU 92 1HB LEU 92 3.473 9.770 -3.239 705 HB3 LEU 92 2HB LEU 92 2.810 9.295 -1.688 706 HG LEU 92 HG LEU 92 1.233 10.741 -3.833 707 HD11 LEU 92 1HD1 LEU 92 2.078 8.010 -3.744 708 HD12 LEU 92 2HD1 LEU 92 0.318 8.077 -3.490 709 HD13 LEU 92 3HD1 LEU 92 1.038 8.829 -4.934 710 HD21 LEU 92 1HD2 LEU 92 -0.394 9.240 -2.040 711 HD22 LEU 92 2HD2 LEU 92 0.711 10.249 -1.075 712 HD23 LEU 92 3HD2 LEU 92 -0.342 11.001 -2.297 713 H ASN 93 H ASN 93 2.886 11.390 0.677 714 HA ASN 93 HA ASN 93 5.781 11.423 1.001 715 HB2 ASN 93 1HB ASN 93 3.865 12.070 3.257 716 HB3 ASN 93 2HB ASN 93 5.488 12.676 2.992 717 HD21 ASN 93 1HD2 ASN 93 5.818 14.031 1.039 718 HD22 ASN 93 2HD2 ASN 93 4.590 15.173 0.604 719 HA PRO 94 HA PRO 94 5.254 7.509 2.923 720 HB2 PRO 94 1HB PRO 94 7.642 7.269 4.230 721 HB3 PRO 94 2HB PRO 94 7.447 6.929 2.522 722 HG2 PRO 94 1HG PRO 94 8.698 9.276 3.813 723 HG3 PRO 94 2HG PRO 94 8.864 8.713 2.162 724 HD2 PRO 94 1HD PRO 94 7.282 10.927 3.071 725 HD3 PRO 94 2HD PRO 94 7.357 10.292 1.439 726 H PHE 95 H PHE 95 4.116 6.711 4.586 727 HA PHE 95 HA PHE 95 3.367 8.426 6.611 728 HB2 PHE 95 1HB PHE 95 3.386 5.448 6.036 729 HB3 PHE 95 2HB PHE 95 2.995 5.919 7.678 730 HD1 PHE 95 1HD PHE 95 1.202 7.947 7.761 731 HD2 PHE 95 2HD PHE 95 1.612 5.137 4.609 732 HE1 PHE 95 1HE PHE 95 -1.174 8.373 7.073 733 HE2 PHE 95 2HE PHE 95 -0.764 5.563 3.920 734 HZ PHE 95 HZ PHE 95 -2.128 7.176 5.160 735 H ALA 96 H ALA 96 3.633 7.758 9.073 736 HA ALA 96 HA ALA 96 5.017 7.946 10.803 737 HB1 ALA 96 1HB ALA 96 5.092 5.610 10.817 738 HB2 ALA 96 2HB ALA 96 5.995 5.528 9.285 739 HB3 ALA 96 3HB ALA 96 6.820 6.035 10.778 740 H GLU 97 H GLU 97 5.665 10.113 9.868 741 HA GLU 97 HA GLU 97 7.789 10.540 8.277 742 HB2 GLU 97 1HB GLU 97 6.480 12.049 10.500 743 HB3 GLU 97 2HB GLU 97 8.074 12.614 10.039 744 HG2 GLU 97 1HG GLU 97 5.915 12.080 7.960 745 HG3 GLU 97 2HG GLU 97 6.029 13.622 8.785 746 H ASN 98 H ASN 98 7.962 10.557 11.919 747 HA ASN 98 HA ASN 98 10.742 10.542 11.926 748 HB2 ASN 98 1HB ASN 98 8.729 10.862 13.820 749 HB3 ASN 98 2HB ASN 98 9.372 9.294 14.268 750 HD21 ASN 98 1HD2 ASN 98 9.488 12.032 15.482 751 HD22 ASN 98 2HD2 ASN 98 11.160 12.338 15.812 752 H SER 99 H SER 99 12.230 8.768 12.175 753 HA SER 99 HA SER 99 11.252 6.287 11.234 754 HB2 SER 99 1HB SER 99 13.575 5.598 11.230 755 HB3 SER 99 2HB SER 99 13.504 7.252 10.656 756 HG SER 99 HG SER 99 15.053 6.395 12.573 757 H GLY 100 H GLY 100 10.848 4.386 12.393 758 HA2 GLY 100 1HA GLY 100 11.518 4.385 15.263 759 HA3 GLY 100 2HA GLY 100 9.869 4.099 14.744 760 HA PRO 101 HA PRO 101 12.715 0.396 13.823 761 HB2 PRO 101 1HB PRO 101 14.240 -0.283 15.987 762 HB3 PRO 101 2HB PRO 101 14.865 0.615 14.619 763 HG2 PRO 101 1HG PRO 101 14.170 1.598 17.318 764 HG3 PRO 101 2HG PRO 101 15.172 2.358 16.098 765 HD2 PRO 101 1HD PRO 101 12.472 3.049 16.776 766 HD3 PRO 101 2HD PRO 101 13.434 3.730 15.478 767 H SER 102 H SER 102 12.187 -1.795 14.157 768 HA SER 102 HA SER 102 10.985 -2.533 16.566 769 HB2 SER 102 1HB SER 102 8.652 -2.851 15.772 770 HB3 SER 102 2HB SER 102 9.104 -1.158 15.798 771 HG SER 102 HG SER 102 9.487 -2.652 13.383 772 H SER 103 H SER 103 12.292 -4.390 16.396 773 HA SER 103 HA SER 103 11.351 -6.302 14.469 774 HB2 SER 103 1HB SER 103 14.294 -5.514 14.655 775 HB3 SER 103 2HB SER 103 13.690 -6.898 13.765 776 HG SER 103 HG SER 103 12.372 -5.367 12.490 777 H GLY 104 H GLY 104 10.611 -7.704 16.076 778 HA2 GLY 104 1HA GLY 104 12.104 -8.161 18.484 779 HA3 GLY 104 2HA GLY 104 10.634 -8.960 17.963 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.192 -20.529 14.502 2 HA2 GLY 1 1HA GLY 1 -1.893 -19.314 13.754 3 HA3 GLY 1 2HA GLY 1 -0.839 -17.930 13.547 4 H SER 2 H SER 2 -2.405 -20.126 11.765 5 HA SER 2 HA SER 2 -0.959 -19.714 9.498 6 HB2 SER 2 1HB SER 2 0.262 -21.751 11.119 7 HB3 SER 2 2HB SER 2 -0.444 -22.547 9.727 8 HG SER 2 HG SER 2 1.047 -20.150 9.284 9 H SER 3 H SER 3 -2.698 -19.771 8.125 10 HA SER 3 HA SER 3 -4.122 -22.177 7.800 11 HB2 SER 3 1HB SER 3 -5.596 -19.817 9.049 12 HB3 SER 3 2HB SER 3 -6.399 -21.196 8.327 13 HG SER 3 HG SER 3 -5.560 -22.565 9.922 14 H GLY 4 H GLY 4 -5.156 -22.200 5.747 15 HA2 GLY 4 1HA GLY 4 -6.287 -20.498 4.174 16 HA3 GLY 4 2HA GLY 4 -4.687 -19.784 4.134 17 H SER 5 H SER 5 -6.639 -21.616 2.305 18 HA SER 5 HA SER 5 -4.728 -22.476 0.601 19 HB2 SER 5 1HB SER 5 -5.202 -24.414 2.819 20 HB3 SER 5 2HB SER 5 -5.229 -25.107 1.209 21 HG SER 5 HG SER 5 -3.074 -24.593 2.632 22 H SER 6 H SER 6 -5.673 -23.890 -1.166 23 HA SER 6 HA SER 6 -7.310 -24.716 -2.370 24 HB2 SER 6 1HB SER 6 -8.340 -25.328 0.012 25 HB3 SER 6 2HB SER 6 -9.469 -24.044 -0.368 26 HG SER 6 HG SER 6 -8.928 -26.143 -2.267 27 H GLY 7 H GLY 7 -8.008 -23.543 -4.124 28 HA2 GLY 7 1HA GLY 7 -9.084 -21.933 -5.304 29 HA3 GLY 7 2HA GLY 7 -9.733 -21.270 -3.817 30 H GLU 8 H GLU 8 -9.196 -19.176 -5.024 31 HA GLU 8 HA GLU 8 -6.793 -18.331 -5.763 32 HB2 GLU 8 1HB GLU 8 -8.920 -16.835 -4.182 33 HB3 GLU 8 2HB GLU 8 -7.529 -16.029 -4.878 34 HG2 GLU 8 1HG GLU 8 -8.945 -15.796 -6.683 35 HG3 GLU 8 2HG GLU 8 -8.330 -17.388 -7.080 36 H GLU 9 H GLU 9 -8.032 -17.839 -2.370 37 HA GLU 9 HA GLU 9 -6.919 -17.317 -0.543 38 HB2 GLU 9 1HB GLU 9 -5.702 -19.914 -1.507 39 HB3 GLU 9 2HB GLU 9 -5.133 -19.200 -0.011 40 HG2 GLU 9 1HG GLU 9 -8.115 -19.458 -0.431 41 HG3 GLU 9 2HG GLU 9 -7.203 -20.902 -0.038 42 H ILE 10 H ILE 10 -6.029 -15.296 -1.593 43 HA ILE 10 HA ILE 10 -3.112 -15.427 -1.517 44 HB ILE 10 HB ILE 10 -4.000 -15.523 -3.886 45 HG12 ILE 10 1HG1 ILE 10 -2.435 -13.312 -4.358 46 HG13 ILE 10 2HG1 ILE 10 -1.938 -13.758 -2.738 47 HG21 ILE 10 1HG2 ILE 10 -5.003 -12.807 -3.070 48 HG22 ILE 10 2HG2 ILE 10 -4.548 -13.145 -4.757 49 HG23 ILE 10 3HG2 ILE 10 -5.830 -14.099 -3.973 50 HD11 ILE 10 1HD1 ILE 10 -1.299 -15.969 -3.416 51 HD12 ILE 10 2HD1 ILE 10 -2.157 -15.819 -4.968 52 HD13 ILE 10 3HD1 ILE 10 -0.670 -14.883 -4.679 53 H PHE 11 H PHE 11 -2.110 -13.508 -0.733 54 HA PHE 11 HA PHE 11 -4.022 -11.550 0.329 55 HB2 PHE 11 1HB PHE 11 -1.786 -13.187 1.536 56 HB3 PHE 11 2HB PHE 11 -1.868 -11.520 2.069 57 HD1 PHE 11 2HD PHE 11 -3.870 -10.704 3.278 58 HD2 PHE 11 1HD PHE 11 -3.413 -14.794 2.243 59 HE1 PHE 11 2HE PHE 11 -5.651 -11.322 4.935 60 HE2 PHE 11 1HE PHE 11 -5.195 -15.412 3.900 61 HZ PHE 11 HZ PHE 11 -6.293 -13.669 5.226 62 H CYS 12 H CYS 12 -3.468 -9.385 0.103 63 HA CYS 12 HA CYS 12 -1.077 -8.924 -1.492 64 HB2 CYS 12 1HB CYS 12 -3.170 -8.087 -2.432 65 HB3 CYS 12 2HB CYS 12 -3.497 -7.165 -0.979 66 HG CYS 12 HG CYS 12 -2.489 -5.197 -1.820 67 H HIS 13 H HIS 13 0.728 -8.403 -0.303 68 HA HIS 13 HA HIS 13 0.426 -7.409 2.359 69 HB2 HIS 13 1HB HIS 13 2.765 -8.153 0.610 70 HB3 HIS 13 2HB HIS 13 3.011 -7.331 2.138 71 HD1 HIS 13 1HD HIS 13 2.684 -10.652 0.727 72 HD2 HIS 13 2HD HIS 13 1.751 -8.864 4.405 73 HE1 HIS 13 1HE HIS 13 2.419 -12.558 2.402 74 H VAL 14 H VAL 14 -0.058 -5.311 2.756 75 HA VAL 14 HA VAL 14 1.017 -3.329 0.876 76 HB VAL 14 HB VAL 14 -1.507 -3.590 2.432 77 HG11 VAL 14 1HG1 VAL 14 -1.704 -0.981 1.858 78 HG12 VAL 14 2HG1 VAL 14 -1.092 -1.574 3.421 79 HG13 VAL 14 3HG1 VAL 14 0.049 -1.059 2.156 80 HG21 VAL 14 1HG2 VAL 14 -1.776 -4.036 0.152 81 HG22 VAL 14 2HG2 VAL 14 -2.302 -2.343 0.304 82 HG23 VAL 14 3HG2 VAL 14 -0.684 -2.719 -0.337 83 H TYR 15 H TYR 15 3.023 -2.810 1.698 84 HA TYR 15 HA TYR 15 3.403 -2.577 4.533 85 HB2 TYR 15 1HB TYR 15 5.081 -1.718 2.094 86 HB3 TYR 15 2HB TYR 15 5.707 -1.951 3.714 87 HD1 TYR 15 2HD TYR 15 4.915 -4.455 4.671 88 HD2 TYR 15 1HD TYR 15 5.695 -3.376 0.606 89 HE1 TYR 15 2HE TYR 15 5.426 -6.883 4.117 90 HE2 TYR 15 1HE TYR 15 6.203 -5.807 0.065 91 HH TYR 15 HH TYR 15 6.600 -8.158 2.537 92 H ILE 16 H ILE 16 2.689 -0.843 5.670 93 HA ILE 16 HA ILE 16 1.984 1.576 4.408 94 HB ILE 16 HB ILE 16 2.419 0.937 7.328 95 HG12 ILE 16 1HG1 ILE 16 -0.271 1.041 6.006 96 HG13 ILE 16 2HG1 ILE 16 0.704 -0.403 5.824 97 HG21 ILE 16 1HG2 ILE 16 1.474 3.355 5.890 98 HG22 ILE 16 2HG2 ILE 16 0.538 2.858 7.320 99 HG23 ILE 16 3HG2 ILE 16 2.280 3.189 7.469 100 HD11 ILE 16 1HD1 ILE 16 -0.943 0.177 7.996 101 HD12 ILE 16 2HD1 ILE 16 0.348 -1.048 7.978 102 HD13 ILE 16 3HD1 ILE 16 0.679 0.585 8.605 103 H THR 17 H THR 17 4.665 0.782 6.737 104 HA THR 17 HA THR 17 6.237 2.873 5.389 105 HB THR 17 HB THR 17 5.328 3.722 7.554 106 HG1 THR 17 1HG THR 17 7.379 4.537 7.687 107 HG21 THR 17 1HG2 THR 17 5.100 2.214 9.269 108 HG22 THR 17 2HG2 THR 17 6.166 1.037 8.464 109 HG23 THR 17 3HG2 THR 17 6.866 2.339 9.457 110 H GLU 18 H GLU 18 8.175 1.954 7.782 111 HA GLU 18 HA GLU 18 9.644 0.268 6.062 112 HB2 GLU 18 1HB GLU 18 10.682 1.907 7.640 113 HB3 GLU 18 2HB GLU 18 10.105 0.961 8.998 114 HG2 GLU 18 1HG GLU 18 12.198 0.005 8.828 115 HG3 GLU 18 2HG GLU 18 11.380 -1.022 7.667 116 H HIS 19 H HIS 19 8.807 -0.365 9.538 117 HA HIS 19 HA HIS 19 8.411 -3.155 8.775 118 HB2 HIS 19 1HB HIS 19 8.731 -2.112 11.587 119 HB3 HIS 19 2HB HIS 19 8.965 -3.745 10.995 120 HD1 HIS 19 1HD HIS 19 11.086 -1.758 12.513 121 HD2 HIS 19 2HD HIS 19 11.049 -2.884 8.473 122 HE1 HIS 19 1HE HIS 19 13.473 -1.457 11.666 123 H SER 20 H SER 20 6.336 -1.557 7.957 124 HA SER 20 HA SER 20 4.292 -2.393 9.830 125 HB2 SER 20 1HB SER 20 4.122 0.324 8.485 126 HB3 SER 20 2HB SER 20 3.149 -0.289 9.806 127 HG SER 20 HG SER 20 5.983 -0.068 10.165 128 H TYR 21 H TYR 21 2.433 -3.204 8.796 129 HA TYR 21 HA TYR 21 1.923 -2.582 6.044 130 HB2 TYR 21 1HB TYR 21 2.539 -4.728 5.175 131 HB3 TYR 21 2HB TYR 21 3.815 -4.458 6.346 132 HD1 TYR 21 2HD TYR 21 2.892 -5.191 8.893 133 HD2 TYR 21 1HD TYR 21 1.775 -6.908 5.137 134 HE1 TYR 21 2HE TYR 21 2.269 -7.361 10.062 135 HE2 TYR 21 1HE TYR 21 1.156 -9.073 6.319 136 HH TYR 21 HH TYR 21 0.397 -9.431 9.137 137 H VAL 22 H VAL 22 0.133 -4.412 5.286 138 HA VAL 22 HA VAL 22 -1.556 -5.126 7.520 139 HB VAL 22 HB VAL 22 -2.268 -2.887 7.245 140 HG11 VAL 22 1HG1 VAL 22 -1.737 -3.397 4.398 141 HG12 VAL 22 2HG1 VAL 22 -3.238 -2.489 4.698 142 HG13 VAL 22 3HG1 VAL 22 -1.688 -1.877 5.323 143 HG21 VAL 22 1HG2 VAL 22 -4.148 -4.268 7.582 144 HG22 VAL 22 2HG2 VAL 22 -4.604 -3.208 6.226 145 HG23 VAL 22 3HG2 VAL 22 -4.104 -4.887 5.914 146 H SER 23 H SER 23 -2.345 -7.126 7.112 147 HA SER 23 HA SER 23 -1.905 -8.235 4.549 148 HB2 SER 23 1HB SER 23 -2.492 -10.300 5.532 149 HB3 SER 23 2HB SER 23 -1.788 -9.402 6.862 150 HG SER 23 HG SER 23 -3.651 -9.500 7.905 151 H VAL 24 H VAL 24 -3.316 -8.287 2.829 152 HA VAL 24 HA VAL 24 -6.149 -7.796 3.437 153 HB VAL 24 HB VAL 24 -4.509 -6.718 1.134 154 HG11 VAL 24 1HG1 VAL 24 -6.410 -6.386 0.019 155 HG12 VAL 24 2HG1 VAL 24 -7.296 -7.253 1.297 156 HG13 VAL 24 3HG1 VAL 24 -7.090 -5.488 1.398 157 HG21 VAL 24 1HG2 VAL 24 -5.920 -4.823 2.884 158 HG22 VAL 24 2HG2 VAL 24 -4.637 -5.742 3.707 159 HG23 VAL 24 3HG2 VAL 24 -4.255 -4.786 2.255 160 H LYS 25 H LYS 25 -7.431 -9.454 2.820 161 HA LYS 25 HA LYS 25 -6.267 -11.450 1.057 162 HB2 LYS 25 1HB LYS 25 -7.247 -12.157 3.199 163 HB3 LYS 25 2HB LYS 25 -8.795 -11.484 2.733 164 HG2 LYS 25 1HG LYS 25 -8.824 -13.020 0.729 165 HG3 LYS 25 2HG LYS 25 -7.319 -13.729 1.278 166 HD2 LYS 25 1HD LYS 25 -8.908 -13.868 3.568 167 HD3 LYS 25 2HD LYS 25 -10.075 -14.143 2.289 168 HE2 LYS 25 1HE LYS 25 -8.210 -15.811 1.354 169 HE3 LYS 25 2HE LYS 25 -7.631 -15.778 3.008 170 HZ1 LYS 25 1HZ LYS 25 -9.939 -16.331 3.669 171 HZ2 LYS 25 2HZ LYS 25 -10.305 -16.568 2.095 172 HZ3 LYS 25 3HZ LYS 25 -9.185 -17.507 2.824 173 H ALA 26 H ALA 26 -6.375 -10.743 -1.050 174 HA ALA 26 HA ALA 26 -9.060 -9.969 -1.970 175 HB1 ALA 26 1HB ALA 26 -6.347 -8.827 -2.432 176 HB2 ALA 26 2HB ALA 26 -7.402 -8.942 -3.861 177 HB3 ALA 26 3HB ALA 26 -7.939 -8.031 -2.429 178 H LYS 27 H LYS 27 -8.965 -10.288 -4.609 179 HA LYS 27 HA LYS 27 -8.661 -13.129 -4.875 180 HB2 LYS 27 1HB LYS 27 -9.488 -11.150 -7.008 181 HB3 LYS 27 2HB LYS 27 -9.826 -12.868 -6.941 182 HG2 LYS 27 1HG LYS 27 -10.769 -11.036 -4.710 183 HG3 LYS 27 2HG LYS 27 -11.691 -11.167 -6.195 184 HD2 LYS 27 1HD LYS 27 -11.470 -13.782 -5.781 185 HD3 LYS 27 2HD LYS 27 -11.118 -13.309 -4.131 186 HE2 LYS 27 1HE LYS 27 -13.316 -11.766 -4.525 187 HE3 LYS 27 2HE LYS 27 -13.679 -13.028 -5.685 188 HZ1 LYS 27 1HZ LYS 27 -14.126 -13.169 -3.043 189 HZ2 LYS 27 2HZ LYS 27 -14.086 -14.450 -4.056 190 HZ3 LYS 27 3HZ LYS 27 -12.757 -14.047 -3.196 191 H VAL 28 H VAL 28 -7.496 -14.100 -6.775 192 HA VAL 28 HA VAL 28 -4.820 -13.217 -6.754 193 HB VAL 28 HB VAL 28 -4.501 -15.015 -8.402 194 HG11 VAL 28 1HG1 VAL 28 -5.089 -15.256 -5.758 195 HG12 VAL 28 2HG1 VAL 28 -6.321 -16.327 -6.468 196 HG13 VAL 28 3HG1 VAL 28 -4.596 -16.611 -6.802 197 HG21 VAL 28 1HG2 VAL 28 -7.234 -14.543 -8.989 198 HG22 VAL 28 2HG2 VAL 28 -6.137 -15.728 -9.737 199 HG23 VAL 28 3HG2 VAL 28 -7.126 -16.194 -8.332 200 H SER 29 H SER 29 -7.597 -12.108 -8.421 201 HA SER 29 HA SER 29 -5.836 -10.774 -10.319 202 HB2 SER 29 1HB SER 29 -7.146 -12.563 -11.469 203 HB3 SER 29 2HB SER 29 -8.636 -11.837 -10.902 204 HG SER 29 HG SER 29 -7.957 -9.849 -12.076 205 H SER 30 H SER 30 -6.759 -9.914 -7.668 206 HA SER 30 HA SER 30 -8.935 -8.130 -8.168 207 HB2 SER 30 1HB SER 30 -7.507 -9.196 -5.845 208 HB3 SER 30 2HB SER 30 -7.729 -7.464 -5.696 209 HG SER 30 HG SER 30 -10.078 -8.161 -6.499 210 H ILE 31 H ILE 31 -8.751 -5.745 -7.848 211 HA ILE 31 HA ILE 31 -6.254 -4.799 -8.981 212 HB ILE 31 HB ILE 31 -7.583 -2.637 -9.103 213 HG12 ILE 31 1HG1 ILE 31 -9.990 -4.402 -8.653 214 HG13 ILE 31 2HG1 ILE 31 -9.257 -3.506 -7.338 215 HG21 ILE 31 1HG2 ILE 31 -7.168 -4.059 -11.034 216 HG22 ILE 31 2HG2 ILE 31 -8.566 -5.076 -10.610 217 HG23 ILE 31 3HG2 ILE 31 -8.813 -3.381 -11.094 218 HD11 ILE 31 1HD1 ILE 31 -9.406 -1.518 -9.208 219 HD12 ILE 31 2HD1 ILE 31 -10.807 -2.507 -9.685 220 HD13 ILE 31 3HD1 ILE 31 -10.698 -1.856 -8.032 221 H ALA 32 H ALA 32 -5.308 -2.716 -8.076 222 HA ALA 32 HA ALA 32 -4.531 -3.130 -5.449 223 HB1 ALA 32 1HB ALA 32 -4.524 -0.419 -6.792 224 HB2 ALA 32 2HB ALA 32 -3.302 -1.142 -5.718 225 HB3 ALA 32 3HB ALA 32 -3.485 -1.737 -7.386 226 H GLN 33 H GLN 33 -7.111 -1.046 -6.869 227 HA GLN 33 HA GLN 33 -7.764 0.380 -4.661 228 HB2 GLN 33 1HB GLN 33 -8.809 0.887 -6.760 229 HB3 GLN 33 2HB GLN 33 -9.470 -0.728 -6.919 230 HG2 GLN 33 1HG GLN 33 -11.346 0.483 -6.189 231 HG3 GLN 33 2HG GLN 33 -10.748 -0.185 -4.683 232 HE21 GLN 33 1HE2 GLN 33 -11.517 2.604 -6.434 233 HE22 GLN 33 2HE2 GLN 33 -10.950 3.813 -5.331 234 H GLU 34 H GLU 34 -8.765 -2.969 -5.557 235 HA GLU 34 HA GLU 34 -10.635 -3.324 -3.585 236 HB2 GLU 34 1HB GLU 34 -8.764 -5.247 -5.010 237 HB3 GLU 34 2HB GLU 34 -9.928 -5.819 -3.832 238 HG2 GLU 34 1HG GLU 34 -11.201 -3.963 -5.704 239 HG3 GLU 34 2HG GLU 34 -10.400 -5.255 -6.576 240 H ILE 35 H ILE 35 -7.215 -2.871 -3.319 241 HA ILE 35 HA ILE 35 -7.163 -4.156 -0.693 242 HB ILE 35 HB ILE 35 -4.820 -2.994 -2.178 243 HG12 ILE 35 1HG1 ILE 35 -5.870 -4.515 -3.740 244 HG13 ILE 35 2HG1 ILE 35 -4.398 -5.230 -3.113 245 HG21 ILE 35 1HG2 ILE 35 -3.708 -3.643 -0.375 246 HG22 ILE 35 2HG2 ILE 35 -5.198 -4.297 0.346 247 HG23 ILE 35 3HG2 ILE 35 -4.189 -5.326 -0.700 248 HD11 ILE 35 1HD1 ILE 35 -7.063 -5.809 -1.782 249 HD12 ILE 35 2HD1 ILE 35 -6.549 -6.712 -3.227 250 HD13 ILE 35 3HD1 ILE 35 -5.566 -6.772 -1.744 251 H LEU 36 H LEU 36 -6.475 -1.034 -2.391 252 HA LEU 36 HA LEU 36 -5.786 0.416 -0.138 253 HB2 LEU 36 1HB LEU 36 -5.495 1.061 -2.525 254 HB3 LEU 36 2HB LEU 36 -7.212 1.403 -2.610 255 HG LEU 36 HG LEU 36 -6.762 3.029 -0.627 256 HD11 LEU 36 1HD1 LEU 36 -4.139 3.726 -1.529 257 HD12 LEU 36 2HD1 LEU 36 -4.686 3.278 0.105 258 HD13 LEU 36 3HD1 LEU 36 -4.140 2.018 -1.028 259 HD21 LEU 36 1HD2 LEU 36 -5.804 4.726 -2.422 260 HD22 LEU 36 2HD2 LEU 36 -6.194 3.393 -3.535 261 HD23 LEU 36 3HD2 LEU 36 -7.468 4.101 -2.513 262 H LYS 37 H LYS 37 -8.996 -0.389 -1.542 263 HA LYS 37 HA LYS 37 -10.472 1.299 0.135 264 HB2 LYS 37 1HB LYS 37 -12.388 -0.041 -0.577 265 HB3 LYS 37 2HB LYS 37 -11.363 0.377 -1.934 266 HG2 LYS 37 1HG LYS 37 -11.279 -1.832 -2.445 267 HG3 LYS 37 2HG LYS 37 -10.288 -2.060 -1.018 268 HD2 LYS 37 1HD LYS 37 -12.294 -2.471 0.364 269 HD3 LYS 37 2HD LYS 37 -13.343 -2.110 -0.993 270 HE2 LYS 37 1HE LYS 37 -11.716 -4.066 -2.086 271 HE3 LYS 37 2HE LYS 37 -11.780 -4.580 -0.412 272 HZ1 LYS 37 1HZ LYS 37 -14.165 -3.928 -1.998 273 HZ2 LYS 37 2HZ LYS 37 -13.588 -5.443 -1.800 274 HZ3 LYS 37 3HZ LYS 37 -14.134 -4.603 -0.511 275 H VAL 38 H VAL 38 -8.921 -1.843 0.612 276 HA VAL 38 HA VAL 38 -10.409 -2.335 3.041 277 HB VAL 38 HB VAL 38 -8.022 -3.814 1.929 278 HG11 VAL 38 1HG1 VAL 38 -8.385 -4.591 4.100 279 HG12 VAL 38 2HG1 VAL 38 -10.153 -4.426 3.973 280 HG13 VAL 38 3HG1 VAL 38 -9.317 -5.736 3.105 281 HG21 VAL 38 1HG2 VAL 38 -9.384 -5.107 0.550 282 HG22 VAL 38 2HG2 VAL 38 -10.875 -4.627 1.397 283 HG23 VAL 38 3HG2 VAL 38 -10.046 -3.470 0.328 284 H VAL 39 H VAL 39 -6.951 -1.736 2.088 285 HA VAL 39 HA VAL 39 -5.915 -1.580 4.623 286 HB VAL 39 HB VAL 39 -5.140 0.023 2.177 287 HG11 VAL 39 1HG1 VAL 39 -3.699 0.958 3.640 288 HG12 VAL 39 2HG1 VAL 39 -3.935 -0.326 4.851 289 HG13 VAL 39 3HG1 VAL 39 -2.818 -0.581 3.489 290 HG21 VAL 39 1HG2 VAL 39 -4.552 -1.896 1.210 291 HG22 VAL 39 2HG2 VAL 39 -3.467 -2.253 2.575 292 HG23 VAL 39 3HG2 VAL 39 -5.158 -2.806 2.615 293 H ALA 40 H ALA 40 -7.248 1.110 2.576 294 HA ALA 40 HA ALA 40 -6.868 3.231 4.150 295 HB1 ALA 40 1HB ALA 40 -8.009 3.686 2.187 296 HB2 ALA 40 2HB ALA 40 -9.142 2.331 2.403 297 HB3 ALA 40 3HB ALA 40 -9.340 3.818 3.360 298 H GLU 41 H GLU 41 -9.430 0.715 4.608 299 HA GLU 41 HA GLU 41 -10.473 1.999 6.882 300 HB2 GLU 41 1HB GLU 41 -10.772 -0.953 6.230 301 HB3 GLU 41 2HB GLU 41 -11.902 0.081 7.081 302 HG2 GLU 41 1HG GLU 41 -11.385 1.271 4.500 303 HG3 GLU 41 2HG GLU 41 -11.733 -0.427 4.247 304 H LYS 42 H LYS 42 -8.073 -0.616 6.303 305 HA LYS 42 HA LYS 42 -7.821 -1.378 8.994 306 HB2 LYS 42 1HB LYS 42 -6.576 -1.981 6.432 307 HB3 LYS 42 2HB LYS 42 -5.386 -1.909 7.715 308 HG2 LYS 42 1HG LYS 42 -6.370 -4.195 7.468 309 HG3 LYS 42 2HG LYS 42 -6.645 -3.526 9.064 310 HD2 LYS 42 1HD LYS 42 -8.784 -4.322 8.547 311 HD3 LYS 42 2HD LYS 42 -8.920 -2.653 8.031 312 HE2 LYS 42 1HE LYS 42 -8.407 -3.310 5.687 313 HE3 LYS 42 2HE LYS 42 -8.192 -4.977 6.183 314 HZ1 LYS 42 1HZ LYS 42 -10.593 -3.552 5.716 315 HZ2 LYS 42 2HZ LYS 42 -10.344 -5.164 5.796 316 HZ3 LYS 42 3HZ LYS 42 -10.619 -4.312 7.162 317 H ILE 43 H ILE 43 -6.899 1.479 7.278 318 HA ILE 43 HA ILE 43 -5.031 2.143 9.447 319 HB ILE 43 HB ILE 43 -3.690 3.276 8.007 320 HG12 ILE 43 1HG1 ILE 43 -6.134 3.691 6.287 321 HG13 ILE 43 2HG1 ILE 43 -5.164 4.891 7.118 322 HG21 ILE 43 1HG2 ILE 43 -4.621 1.569 5.775 323 HG22 ILE 43 2HG2 ILE 43 -3.012 1.723 6.521 324 HG23 ILE 43 3HG2 ILE 43 -4.265 0.731 7.305 325 HD11 ILE 43 1HD1 ILE 43 -4.074 5.162 5.141 326 HD12 ILE 43 2HD1 ILE 43 -3.289 3.604 5.490 327 HD13 ILE 43 3HD1 ILE 43 -4.751 3.656 4.477 328 H GLN 44 H GLN 44 -8.167 2.526 8.335 329 HA GLN 44 HA GLN 44 -9.772 3.912 8.796 330 HB2 GLN 44 1HB GLN 44 -7.974 5.309 10.814 331 HB3 GLN 44 2HB GLN 44 -9.723 5.212 10.834 332 HG2 GLN 44 1HG GLN 44 -9.452 2.649 11.000 333 HG3 GLN 44 2HG GLN 44 -7.747 2.935 11.283 334 HE21 GLN 44 1HE2 GLN 44 -7.257 4.616 12.989 335 HE22 GLN 44 2HE2 GLN 44 -8.172 4.554 14.459 336 H TYR 45 H TYR 45 -8.975 4.635 6.497 337 HA TYR 45 HA TYR 45 -8.786 7.536 6.598 338 HB2 TYR 45 1HB TYR 45 -6.600 5.741 6.090 339 HB3 TYR 45 2HB TYR 45 -7.103 6.284 4.502 340 HD1 TYR 45 2HD TYR 45 -8.017 9.103 5.416 341 HD2 TYR 45 1HD TYR 45 -4.465 6.826 6.125 342 HE1 TYR 45 2HE TYR 45 -6.696 11.251 5.737 343 HE2 TYR 45 1HE TYR 45 -3.155 8.982 6.444 344 HH TYR 45 HH TYR 45 -4.666 11.958 6.892 345 H ALA 46 H ALA 46 -8.454 8.000 3.851 346 HA ALA 46 HA ALA 46 -10.863 6.690 2.789 347 HB1 ALA 46 1HB ALA 46 -10.701 9.276 3.343 348 HB2 ALA 46 2HB ALA 46 -9.831 9.335 1.792 349 HB3 ALA 46 3HB ALA 46 -11.499 8.717 1.853 350 H GLU 47 H GLU 47 -10.176 5.040 1.489 351 HA GLU 47 HA GLU 47 -7.826 4.612 0.401 352 HB2 GLU 47 1HB GLU 47 -9.115 3.514 -1.564 353 HB3 GLU 47 2HB GLU 47 -9.476 2.958 0.058 354 HG2 GLU 47 1HG GLU 47 -11.435 4.547 0.136 355 HG3 GLU 47 2HG GLU 47 -11.093 5.016 -1.518 356 H GLU 48 H GLU 48 -10.366 6.746 -1.045 357 HA GLU 48 HA GLU 48 -9.076 7.302 -3.387 358 HB2 GLU 48 1HB GLU 48 -10.444 9.423 -3.373 359 HB3 GLU 48 2HB GLU 48 -11.373 7.974 -3.042 360 HG2 GLU 48 1HG GLU 48 -10.748 8.586 -0.492 361 HG3 GLU 48 2HG GLU 48 -10.583 10.196 -1.163 362 H ASP 49 H ASP 49 -8.816 8.943 -0.171 363 HA ASP 49 HA ASP 49 -7.053 10.901 -1.088 364 HB2 ASP 49 1HB ASP 49 -7.397 9.752 1.723 365 HB3 ASP 49 2HB ASP 49 -6.600 11.267 1.346 366 H LEU 50 H LEU 50 -6.724 7.528 -0.654 367 HA LEU 50 HA LEU 50 -3.872 7.733 -0.018 368 HB2 LEU 50 1HB LEU 50 -5.892 5.519 0.229 369 HB3 LEU 50 2HB LEU 50 -4.170 5.195 0.251 370 HG LEU 50 HG LEU 50 -3.849 6.200 2.305 371 HD11 LEU 50 1HD1 LEU 50 -4.846 8.375 1.665 372 HD12 LEU 50 2HD1 LEU 50 -6.458 7.715 2.032 373 HD13 LEU 50 3HD1 LEU 50 -5.248 7.880 3.327 374 HD21 LEU 50 1HD2 LEU 50 -5.546 5.363 3.826 375 HD22 LEU 50 2HD2 LEU 50 -6.711 5.222 2.488 376 HD23 LEU 50 3HD2 LEU 50 -5.259 4.193 2.516 377 H ALA 51 H ALA 51 -2.698 5.664 -1.193 378 HA ALA 51 HA ALA 51 -3.597 5.133 -3.821 379 HB1 ALA 51 1HB ALA 51 -1.323 6.406 -4.635 380 HB2 ALA 51 2HB ALA 51 -2.948 7.128 -4.710 381 HB3 ALA 51 3HB ALA 51 -1.869 7.503 -3.344 382 H LEU 52 H LEU 52 -2.381 3.437 -4.744 383 HA LEU 52 HA LEU 52 -0.654 2.117 -2.856 384 HB2 LEU 52 1HB LEU 52 -1.801 1.375 -5.542 385 HB3 LEU 52 2HB LEU 52 -0.638 0.366 -4.704 386 HG LEU 52 HG LEU 52 -2.449 -0.645 -3.860 387 HD11 LEU 52 1HD1 LEU 52 -1.567 0.395 -1.870 388 HD12 LEU 52 2HD1 LEU 52 -2.517 1.870 -2.171 389 HD13 LEU 52 3HD1 LEU 52 -3.344 0.345 -1.771 390 HD21 LEU 52 1HD2 LEU 52 -4.642 0.001 -4.157 391 HD22 LEU 52 2HD2 LEU 52 -4.277 1.732 -3.963 392 HD23 LEU 52 3HD2 LEU 52 -3.826 0.890 -5.465 393 H VAL 53 H VAL 53 1.465 2.592 -2.703 394 HA VAL 53 HA VAL 53 2.764 3.696 -5.079 395 HB VAL 53 HB VAL 53 3.304 3.792 -2.122 396 HG11 VAL 53 1HG1 VAL 53 5.466 3.303 -3.022 397 HG12 VAL 53 2HG1 VAL 53 5.235 4.446 -4.367 398 HG13 VAL 53 3HG1 VAL 53 5.412 5.054 -2.703 399 HG21 VAL 53 1HG2 VAL 53 1.791 5.478 -3.004 400 HG22 VAL 53 2HG2 VAL 53 3.337 6.235 -2.550 401 HG23 VAL 53 3HG2 VAL 53 2.970 5.920 -4.263 402 H ALA 54 H ALA 54 4.273 2.551 -6.206 403 HA ALA 54 HA ALA 54 5.014 -0.050 -5.060 404 HB1 ALA 54 1HB ALA 54 3.742 -0.301 -7.088 405 HB2 ALA 54 2HB ALA 54 4.715 0.934 -7.922 406 HB3 ALA 54 3HB ALA 54 5.444 -0.632 -7.492 407 H ILE 55 H ILE 55 7.148 -0.484 -4.656 408 HA ILE 55 HA ILE 55 9.040 1.597 -5.502 409 HB ILE 55 HB ILE 55 9.398 -0.274 -3.175 410 HG12 ILE 55 1HG1 ILE 55 7.266 0.961 -2.890 411 HG13 ILE 55 2HG1 ILE 55 8.473 1.366 -1.687 412 HG21 ILE 55 1HG2 ILE 55 10.747 1.891 -2.481 413 HG22 ILE 55 2HG2 ILE 55 11.450 0.658 -3.555 414 HG23 ILE 55 3HG2 ILE 55 10.774 2.155 -4.241 415 HD11 ILE 55 1HD1 ILE 55 9.057 3.241 -3.609 416 HD12 ILE 55 2HD1 ILE 55 7.301 3.056 -3.839 417 HD13 ILE 55 3HD1 ILE 55 7.946 3.525 -2.248 418 H THR 56 H THR 56 10.246 0.982 -7.209 419 HA THR 56 HA THR 56 10.416 -1.701 -8.048 420 HB THR 56 HB THR 56 10.593 0.348 -9.505 421 HG1 THR 56 1HG THR 56 11.638 -1.269 -10.607 422 HG21 THR 56 1HG2 THR 56 12.068 1.750 -8.045 423 HG22 THR 56 2HG2 THR 56 13.367 0.544 -8.215 424 HG23 THR 56 3HG2 THR 56 12.820 1.471 -9.634 425 H PHE 57 H PHE 57 12.495 -2.916 -8.388 426 HA PHE 57 HA PHE 57 13.564 -3.661 -6.012 427 HB2 PHE 57 1HB PHE 57 13.726 -4.513 -8.549 428 HB3 PHE 57 2HB PHE 57 15.186 -3.545 -8.602 429 HD1 PHE 57 1HD PHE 57 16.965 -4.035 -6.776 430 HD2 PHE 57 2HD PHE 57 13.822 -6.705 -7.775 431 HE1 PHE 57 1HE PHE 57 18.264 -5.938 -5.779 432 HE2 PHE 57 2HE PHE 57 15.121 -8.608 -6.779 433 HZ PHE 57 HZ PHE 57 17.327 -8.202 -5.793 434 H SER 58 H SER 58 15.313 -1.610 -8.462 435 HA SER 58 HA SER 58 17.500 -1.030 -7.110 436 HB2 SER 58 1HB SER 58 15.794 0.959 -8.673 437 HB3 SER 58 2HB SER 58 17.473 1.226 -8.247 438 HG SER 58 HG SER 58 17.454 -1.179 -9.386 439 H GLY 59 H GLY 59 14.701 1.299 -7.010 440 HA2 GLY 59 1HA GLY 59 14.085 1.474 -4.429 441 HA3 GLY 59 2HA GLY 59 15.635 2.293 -4.437 442 H GLU 60 H GLU 60 12.463 2.229 -6.202 443 HA GLU 60 HA GLU 60 12.430 5.095 -6.038 444 HB2 GLU 60 1HB GLU 60 12.630 3.582 -8.652 445 HB3 GLU 60 2HB GLU 60 11.752 5.097 -8.592 446 HG2 GLU 60 1HG GLU 60 13.801 6.186 -7.565 447 HG3 GLU 60 2HG GLU 60 14.667 4.677 -7.779 448 H LYS 61 H LYS 61 10.421 5.600 -5.290 449 HA LYS 61 HA LYS 61 8.348 3.638 -5.415 450 HB2 LYS 61 1HB LYS 61 7.178 5.029 -3.930 451 HB3 LYS 61 2HB LYS 61 8.861 5.206 -3.477 452 HG2 LYS 61 1HG LYS 61 8.735 7.227 -5.275 453 HG3 LYS 61 2HG LYS 61 7.040 7.181 -4.833 454 HD2 LYS 61 1HD LYS 61 7.818 8.638 -3.198 455 HD3 LYS 61 2HD LYS 61 8.006 7.120 -2.342 456 HE2 LYS 61 1HE LYS 61 10.075 8.383 -2.096 457 HE3 LYS 61 2HE LYS 61 10.403 7.007 -3.131 458 HZ1 LYS 61 1HZ LYS 61 10.560 8.333 -4.953 459 HZ2 LYS 61 2HZ LYS 61 9.590 9.509 -4.367 460 HZ3 LYS 61 3HZ LYS 61 11.124 9.368 -3.823 461 H HIS 62 H HIS 62 6.185 4.024 -6.336 462 HA HIS 62 HA HIS 62 6.026 6.090 -8.333 463 HB2 HIS 62 1HB HIS 62 7.126 3.749 -9.169 464 HB3 HIS 62 2HB HIS 62 5.429 3.400 -9.430 465 HD1 HIS 62 1HD HIS 62 7.609 6.498 -10.118 466 HD2 HIS 62 2HD HIS 62 4.800 4.017 -12.001 467 HE1 HIS 62 1HE HIS 62 7.292 7.434 -12.470 468 H GLU 63 H GLU 63 3.834 6.498 -8.996 469 HA GLU 63 HA GLU 63 1.941 5.185 -7.215 470 HB2 GLU 63 1HB GLU 63 2.138 7.607 -6.855 471 HB3 GLU 63 2HB GLU 63 1.847 7.923 -8.554 472 HG2 GLU 63 1HG GLU 63 -0.291 6.247 -7.509 473 HG3 GLU 63 2HG GLU 63 -0.093 7.645 -6.471 474 H LEU 64 H LEU 64 0.723 3.631 -8.193 475 HA LEU 64 HA LEU 64 0.348 3.808 -11.071 476 HB2 LEU 64 1HB LEU 64 -0.775 1.511 -9.639 477 HB3 LEU 64 2HB LEU 64 0.226 1.578 -11.077 478 HG LEU 64 HG LEU 64 2.090 2.237 -9.249 479 HD11 LEU 64 1HD1 LEU 64 0.915 0.138 -7.594 480 HD12 LEU 64 2HD1 LEU 64 1.671 1.682 -7.132 481 HD13 LEU 64 3HD1 LEU 64 -0.046 1.637 -7.597 482 HD21 LEU 64 1HD2 LEU 64 2.796 0.514 -10.511 483 HD22 LEU 64 2HD2 LEU 64 2.293 -0.465 -9.111 484 HD23 LEU 64 3HD2 LEU 64 1.205 -0.285 -10.508 485 H GLN 65 H GLN 65 -2.128 2.283 -11.127 486 HA GLN 65 HA GLN 65 -3.889 4.431 -10.251 487 HB2 GLN 65 1HB GLN 65 -3.881 2.582 -12.623 488 HB3 GLN 65 2HB GLN 65 -5.438 3.103 -12.011 489 HG2 GLN 65 1HG GLN 65 -3.735 5.422 -12.084 490 HG3 GLN 65 2HG GLN 65 -3.544 4.592 -13.616 491 HE21 GLN 65 1HE2 GLN 65 -5.735 6.205 -11.445 492 HE22 GLN 65 2HE2 GLN 65 -7.054 6.440 -12.542 493 HA PRO 66 HA PRO 66 -6.077 1.653 -7.734 494 HB2 PRO 66 1HB PRO 66 -8.685 2.436 -7.968 495 HB3 PRO 66 2HB PRO 66 -7.516 3.283 -6.975 496 HG2 PRO 66 1HG PRO 66 -8.625 4.060 -9.602 497 HG3 PRO 66 2HG PRO 66 -7.807 5.059 -8.418 498 HD2 PRO 66 1HD PRO 66 -6.700 4.034 -10.857 499 HD3 PRO 66 2HD PRO 66 -5.850 4.935 -9.617 500 H ASN 67 H ASN 67 -6.278 1.408 -10.983 501 HA ASN 67 HA ASN 67 -7.994 -0.932 -10.728 502 HB2 ASN 67 1HB ASN 67 -7.776 -0.567 -13.437 503 HB3 ASN 67 2HB ASN 67 -9.041 0.169 -12.474 504 HD21 ASN 67 1HD2 ASN 67 -6.345 0.656 -14.466 505 HD22 ASN 67 2HD2 ASN 67 -6.196 2.378 -14.344 506 H ASP 68 H ASP 68 -4.877 -0.244 -10.400 507 HA ASP 68 HA ASP 68 -3.778 -1.909 -12.455 508 HB2 ASP 68 1HB ASP 68 -2.638 0.167 -11.533 509 HB3 ASP 68 2HB ASP 68 -2.440 -0.668 -10.006 510 H LEU 69 H LEU 69 -3.824 -4.143 -12.166 511 HA LEU 69 HA LEU 69 -4.654 -5.484 -9.985 512 HB2 LEU 69 1HB LEU 69 -2.926 -6.131 -12.306 513 HB3 LEU 69 2HB LEU 69 -2.902 -7.268 -10.973 514 HG LEU 69 HG LEU 69 -5.329 -6.396 -12.562 515 HD11 LEU 69 1HD1 LEU 69 -4.039 -7.913 -13.850 516 HD12 LEU 69 2HD1 LEU 69 -3.752 -8.974 -12.449 517 HD13 LEU 69 3HD1 LEU 69 -5.383 -8.849 -13.152 518 HD21 LEU 69 1HD2 LEU 69 -6.448 -8.267 -11.202 519 HD22 LEU 69 2HD2 LEU 69 -5.100 -8.059 -10.059 520 HD23 LEU 69 3HD2 LEU 69 -6.188 -6.695 -10.410 521 H VAL 70 H VAL 70 -3.680 -6.557 -8.179 522 HA VAL 70 HA VAL 70 -1.151 -5.289 -7.390 523 HB VAL 70 HB VAL 70 -2.306 -6.350 -5.119 524 HG11 VAL 70 1HG1 VAL 70 -2.371 -3.556 -6.291 525 HG12 VAL 70 2HG1 VAL 70 -2.894 -3.932 -4.631 526 HG13 VAL 70 3HG1 VAL 70 -1.210 -4.234 -5.124 527 HG21 VAL 70 1HG2 VAL 70 -4.402 -6.838 -6.229 528 HG22 VAL 70 2HG2 VAL 70 -4.633 -5.464 -5.122 529 HG23 VAL 70 3HG2 VAL 70 -4.491 -5.181 -6.874 530 H ILE 71 H ILE 71 -2.735 -8.225 -8.320 531 HA ILE 71 HA ILE 71 -0.426 -9.731 -7.301 532 HB ILE 71 HB ILE 71 -3.297 -10.631 -7.561 533 HG12 ILE 71 1HG1 ILE 71 -1.970 -10.901 -4.967 534 HG13 ILE 71 2HG1 ILE 71 -2.068 -9.234 -5.496 535 HG21 ILE 71 1HG2 ILE 71 -1.190 -12.232 -8.051 536 HG22 ILE 71 2HG2 ILE 71 -1.269 -12.373 -6.279 537 HG23 ILE 71 3HG2 ILE 71 -2.690 -12.787 -7.268 538 HD11 ILE 71 1HD1 ILE 71 -4.371 -11.209 -5.204 539 HD12 ILE 71 2HD1 ILE 71 -4.102 -9.710 -4.283 540 HD13 ILE 71 3HD1 ILE 71 -4.541 -9.629 -6.006 541 H SER 72 H SER 72 0.436 -8.804 -9.437 542 HA SER 72 HA SER 72 0.615 -10.815 -11.250 543 HB2 SER 72 1HB SER 72 -1.867 -9.444 -11.582 544 HB3 SER 72 2HB SER 72 -0.846 -8.927 -12.909 545 HG SER 72 HG SER 72 -1.859 -11.516 -12.300 546 H LYS 73 H LYS 73 1.458 -9.797 -13.542 547 HA LYS 73 HA LYS 73 2.887 -8.473 -14.592 548 HB2 LYS 73 1HB LYS 73 1.515 -6.626 -12.832 549 HB3 LYS 73 2HB LYS 73 3.187 -6.144 -13.034 550 HG2 LYS 73 1HG LYS 73 2.410 -5.169 -14.961 551 HG3 LYS 73 2HG LYS 73 2.596 -6.780 -15.624 552 HD2 LYS 73 1HD LYS 73 0.126 -7.120 -14.641 553 HD3 LYS 73 2HD LYS 73 0.074 -5.372 -14.739 554 HE2 LYS 73 1HE LYS 73 1.116 -6.836 -17.153 555 HE3 LYS 73 2HE LYS 73 -0.600 -6.971 -16.825 556 HZ1 LYS 73 1HZ LYS 73 0.888 -4.710 -17.705 557 HZ2 LYS 73 2HZ LYS 73 -0.706 -5.031 -17.861 558 HZ3 LYS 73 3HZ LYS 73 -0.139 -4.357 -16.485 559 H SER 74 H SER 74 5.023 -8.923 -14.667 560 HA SER 74 HA SER 74 6.433 -8.845 -12.119 561 HB2 SER 74 1HB SER 74 5.877 -11.163 -13.669 562 HB3 SER 74 2HB SER 74 7.571 -10.812 -13.947 563 HG SER 74 HG SER 74 7.798 -10.674 -11.555 564 H LEU 75 H LEU 75 6.293 -6.686 -13.957 565 HA LEU 75 HA LEU 75 9.076 -6.616 -14.815 566 HB2 LEU 75 1HB LEU 75 6.707 -6.034 -16.591 567 HB3 LEU 75 2HB LEU 75 8.336 -5.490 -16.940 568 HG LEU 75 HG LEU 75 8.918 -8.058 -16.673 569 HD11 LEU 75 1HD1 LEU 75 6.787 -9.176 -17.899 570 HD12 LEU 75 2HD1 LEU 75 7.065 -9.226 -16.141 571 HD13 LEU 75 3HD1 LEU 75 5.962 -8.012 -16.834 572 HD21 LEU 75 1HD2 LEU 75 7.809 -6.563 -19.025 573 HD22 LEU 75 2HD2 LEU 75 9.471 -7.109 -18.697 574 HD23 LEU 75 3HD2 LEU 75 8.228 -8.286 -19.187 575 H GLU 76 H GLU 76 5.983 -4.704 -14.729 576 HA GLU 76 HA GLU 76 6.958 -2.246 -14.596 577 HB2 GLU 76 1HB GLU 76 4.613 -3.582 -13.275 578 HB3 GLU 76 2HB GLU 76 4.989 -1.946 -12.771 579 HG2 GLU 76 1HG GLU 76 4.500 -2.856 -15.646 580 HG3 GLU 76 2HG GLU 76 3.375 -1.948 -14.657 581 H ALA 77 H ALA 77 6.218 -4.100 -11.547 582 HA ALA 77 HA ALA 77 8.705 -3.123 -10.413 583 HB1 ALA 77 1HB ALA 77 6.714 -1.470 -10.018 584 HB2 ALA 77 2HB ALA 77 6.144 -2.701 -8.866 585 HB3 ALA 77 3HB ALA 77 7.736 -1.938 -8.638 586 H SER 78 H SER 78 5.596 -4.572 -9.206 587 HA SER 78 HA SER 78 5.289 -6.308 -7.901 588 HB2 SER 78 1HB SER 78 5.525 -7.205 -10.320 589 HB3 SER 78 2HB SER 78 7.099 -7.803 -9.836 590 HG SER 78 HG SER 78 5.516 -8.647 -7.903 591 H GLY 79 H GLY 79 6.372 -5.759 -5.942 592 HA2 GLY 79 1HA GLY 79 8.524 -7.465 -5.202 593 HA3 GLY 79 2HA GLY 79 9.095 -5.830 -5.472 594 H ARG 80 H ARG 80 7.209 -4.131 -4.543 595 HA ARG 80 HA ARG 80 6.069 -5.044 -2.130 596 HB2 ARG 80 1HB ARG 80 7.506 -3.097 -0.891 597 HB3 ARG 80 2HB ARG 80 8.017 -4.773 -0.909 598 HG2 ARG 80 1HG ARG 80 8.838 -3.084 -3.257 599 HG3 ARG 80 2HG ARG 80 9.622 -2.743 -1.727 600 HD2 ARG 80 1HD ARG 80 9.626 -5.578 -1.934 601 HD3 ARG 80 2HD ARG 80 10.027 -5.007 -3.542 602 HE ARG 80 HE ARG 80 11.516 -3.558 -1.512 603 HH11 ARG 80 2HH2 ARG 80 11.421 -6.583 -3.307 604 HH12 ARG 80 1HH2 ARG 80 13.121 -6.878 -3.148 605 HH21 ARG 80 2HH1 ARG 80 13.758 -3.947 -1.303 606 HH22 ARG 80 1HH1 ARG 80 14.459 -5.369 -2.001 607 H ILE 81 H ILE 81 4.203 -3.835 -1.934 608 HA ILE 81 HA ILE 81 4.201 -1.211 -3.243 609 HB ILE 81 HB ILE 81 2.075 -3.280 -2.769 610 HG12 ILE 81 1HG1 ILE 81 3.194 -1.885 -5.211 611 HG13 ILE 81 2HG1 ILE 81 3.318 -3.583 -4.796 612 HG21 ILE 81 1HG2 ILE 81 1.578 -0.424 -3.647 613 HG22 ILE 81 2HG2 ILE 81 0.375 -1.724 -3.474 614 HG23 ILE 81 3HG2 ILE 81 1.200 -1.078 -2.036 615 HD11 ILE 81 1HD1 ILE 81 0.604 -3.320 -4.743 616 HD12 ILE 81 2HD1 ILE 81 1.011 -2.071 -5.944 617 HD13 ILE 81 3HD1 ILE 81 1.512 -3.758 -6.210 618 H TYR 82 H TYR 82 2.913 0.519 -2.168 619 HA TYR 82 HA TYR 82 2.581 0.125 0.701 620 HB2 TYR 82 1HB TYR 82 4.149 2.407 -0.648 621 HB3 TYR 82 2HB TYR 82 3.973 2.176 1.080 622 HD1 TYR 82 2HD TYR 82 5.408 0.571 -1.975 623 HD2 TYR 82 1HD TYR 82 5.566 0.933 2.285 624 HE1 TYR 82 2HE TYR 82 7.555 -0.790 -1.932 625 HE2 TYR 82 1HE TYR 82 7.712 -0.430 2.314 626 HH TYR 82 HH TYR 82 9.577 -0.908 -0.292 627 H VAL 83 H VAL 83 1.696 2.351 1.656 628 HA VAL 83 HA VAL 83 -0.117 3.519 -0.333 629 HB VAL 83 HB VAL 83 -1.540 2.048 0.733 630 HG11 VAL 83 1HG1 VAL 83 -1.443 2.108 3.437 631 HG12 VAL 83 2HG1 VAL 83 -0.531 0.948 2.442 632 HG13 VAL 83 3HG1 VAL 83 0.269 2.414 3.059 633 HG21 VAL 83 1HG2 VAL 83 -1.622 4.694 2.199 634 HG22 VAL 83 2HG2 VAL 83 -2.609 4.157 0.819 635 HG23 VAL 83 3HG2 VAL 83 -2.860 3.435 2.427 636 H TYR 84 H TYR 84 -0.001 5.707 -0.385 637 HA TYR 84 HA TYR 84 1.273 6.999 1.931 638 HB2 TYR 84 1HB TYR 84 1.150 7.472 -1.100 639 HB3 TYR 84 2HB TYR 84 1.648 8.766 -0.028 640 HD1 TYR 84 1HD TYR 84 2.447 5.094 -0.107 641 HD2 TYR 84 2HD TYR 84 3.934 9.103 -0.224 642 HE1 TYR 84 1HE TYR 84 4.832 4.215 -0.147 643 HE2 TYR 84 2HE TYR 84 6.314 8.212 -0.264 644 HH TYR 84 HH TYR 84 7.019 4.926 0.389 645 H ARG 85 H ARG 85 0.654 9.492 1.945 646 HA ARG 85 HA ARG 85 -2.247 9.511 1.798 647 HB2 ARG 85 1HB ARG 85 -0.452 11.410 3.384 648 HB3 ARG 85 2HB ARG 85 -2.187 11.226 3.549 649 HG2 ARG 85 1HG ARG 85 -2.004 9.118 4.611 650 HG3 ARG 85 2HG ARG 85 -0.410 8.808 3.953 651 HD2 ARG 85 1HD ARG 85 -0.547 9.451 6.465 652 HD3 ARG 85 2HD ARG 85 0.659 10.274 5.497 653 HE ARG 85 HE ARG 85 -1.951 11.640 5.635 654 HH11 ARG 85 2HH2 ARG 85 1.273 11.332 7.009 655 HH12 ARG 85 1HH2 ARG 85 1.245 12.896 7.753 656 HH21 ARG 85 2HH1 ARG 85 -1.989 13.704 6.615 657 HH22 ARG 85 1HH1 ARG 85 -0.623 14.254 7.527 658 H LYS 86 H LYS 86 -3.331 11.208 0.686 659 HA LYS 86 HA LYS 86 -1.581 12.798 -1.027 660 HB2 LYS 86 1HB LYS 86 -4.469 11.935 -1.225 661 HB3 LYS 86 2HB LYS 86 -3.811 13.201 -2.242 662 HG2 LYS 86 1HG LYS 86 -1.931 11.532 -2.863 663 HG3 LYS 86 2HG LYS 86 -2.898 10.297 -2.080 664 HD2 LYS 86 1HD LYS 86 -4.813 10.835 -3.604 665 HD3 LYS 86 2HD LYS 86 -3.841 12.063 -4.390 666 HE2 LYS 86 1HE LYS 86 -2.446 10.497 -5.443 667 HE3 LYS 86 2HE LYS 86 -2.694 9.279 -4.208 668 HZ1 LYS 86 1HZ LYS 86 -5.094 9.976 -5.559 669 HZ2 LYS 86 2HZ LYS 86 -3.961 9.381 -6.574 670 HZ3 LYS 86 3HZ LYS 86 -4.446 8.501 -5.287 671 H ASP 87 H ASP 87 -1.123 14.841 -0.433 672 HA ASP 87 HA ASP 87 -3.098 16.141 1.272 673 HB2 ASP 87 1HB ASP 87 -0.183 16.962 0.980 674 HB3 ASP 87 2HB ASP 87 -1.299 17.411 2.255 675 H LEU 88 H LEU 88 -1.568 18.748 0.905 676 HA LEU 88 HA LEU 88 -2.786 19.482 -1.611 677 HB2 LEU 88 1HB LEU 88 -1.361 21.189 0.433 678 HB3 LEU 88 2HB LEU 88 -2.334 21.755 -0.910 679 HG LEU 88 HG LEU 88 -4.317 20.604 0.129 680 HD11 LEU 88 1HD1 LEU 88 -4.003 20.240 2.678 681 HD12 LEU 88 2HD1 LEU 88 -3.492 18.965 1.546 682 HD13 LEU 88 3HD1 LEU 88 -2.281 20.050 2.271 683 HD21 LEU 88 1HD2 LEU 88 -3.452 23.091 0.453 684 HD22 LEU 88 2HD2 LEU 88 -4.879 22.468 1.315 685 HD23 LEU 88 3HD2 LEU 88 -3.308 22.558 2.146 686 H ALA 89 H ALA 89 0.093 18.069 -0.720 687 HA ALA 89 HA ALA 89 1.638 19.586 -2.698 688 HB1 ALA 89 1HB ALA 89 3.075 17.538 -1.186 689 HB2 ALA 89 2HB ALA 89 3.399 19.283 -1.326 690 HB3 ALA 89 3HB ALA 89 2.241 18.687 -0.113 691 H ASP 90 H ASP 90 1.950 18.719 -4.688 692 HA ASP 90 HA ASP 90 0.678 16.629 -5.663 693 HB2 ASP 90 1HB ASP 90 2.988 18.196 -6.409 694 HB3 ASP 90 2HB ASP 90 3.322 16.526 -6.822 695 H THR 91 H THR 91 3.682 16.612 -3.717 696 HA THR 91 HA THR 91 4.487 13.972 -4.226 697 HB THR 91 HB THR 91 4.915 15.408 -1.585 698 HG1 THR 91 1HG THR 91 6.024 16.994 -2.736 699 HG21 THR 91 1HG2 THR 91 7.104 14.495 -1.725 700 HG22 THR 91 2HG2 THR 91 6.109 13.190 -2.414 701 HG23 THR 91 3HG2 THR 91 7.002 14.290 -3.490 702 H LEU 92 H LEU 92 4.449 12.131 -2.689 703 HA LEU 92 HA LEU 92 1.756 11.947 -1.550 704 HB2 LEU 92 1HB LEU 92 3.582 10.059 -2.928 705 HB3 LEU 92 2HB LEU 92 2.619 9.404 -1.619 706 HG LEU 92 HG LEU 92 1.548 10.827 -4.071 707 HD11 LEU 92 1HD1 LEU 92 1.649 8.866 -5.098 708 HD12 LEU 92 2HD1 LEU 92 2.352 8.114 -3.646 709 HD13 LEU 92 3HD1 LEU 92 0.585 8.168 -3.853 710 HD21 LEU 92 1HD2 LEU 92 0.159 9.697 -1.641 711 HD22 LEU 92 2HD2 LEU 92 0.029 11.326 -2.346 712 HD23 LEU 92 3HD2 LEU 92 -0.672 9.930 -3.198 713 H ASN 93 H ASN 93 5.251 11.281 -0.931 714 HA ASN 93 HA ASN 93 6.388 11.153 0.910 715 HB2 ASN 93 1HB ASN 93 4.021 12.179 2.538 716 HB3 ASN 93 2HB ASN 93 5.727 12.407 2.866 717 HD21 ASN 93 1HD2 ASN 93 2.942 13.559 1.274 718 HD22 ASN 93 2HD2 ASN 93 3.620 14.940 0.477 719 HA PRO 94 HA PRO 94 4.863 7.360 2.550 720 HB2 PRO 94 1HB PRO 94 7.035 6.630 4.039 721 HB3 PRO 94 2HB PRO 94 6.915 6.343 2.315 722 HG2 PRO 94 1HG PRO 94 8.511 8.377 3.748 723 HG3 PRO 94 2HG PRO 94 8.693 7.797 2.105 724 HD2 PRO 94 1HD PRO 94 7.530 10.286 2.927 725 HD3 PRO 94 2HD PRO 94 7.607 9.655 1.295 726 H PHE 95 H PHE 95 4.795 6.112 4.784 727 HA PHE 95 HA PHE 95 3.567 8.079 6.518 728 HB2 PHE 95 1HB PHE 95 3.589 5.110 6.019 729 HB3 PHE 95 2HB PHE 95 3.364 5.556 7.698 730 HD1 PHE 95 2HD PHE 95 2.002 6.224 4.300 731 HD2 PHE 95 1HD PHE 95 1.243 6.126 8.474 732 HE1 PHE 95 2HE PHE 95 -0.438 6.625 3.866 733 HE2 PHE 95 1HE PHE 95 -1.196 6.528 8.040 734 HZ PHE 95 HZ PHE 95 -2.007 6.773 5.741 735 H ALA 96 H ALA 96 3.851 6.950 9.035 736 HA ALA 96 HA ALA 96 5.180 7.029 10.804 737 HB1 ALA 96 1HB ALA 96 6.112 5.024 9.161 738 HB2 ALA 96 2HB ALA 96 7.587 5.978 9.448 739 HB3 ALA 96 3HB ALA 96 6.671 5.320 10.825 740 H GLU 97 H GLU 97 7.750 7.642 11.411 741 HA GLU 97 HA GLU 97 8.413 9.963 9.807 742 HB2 GLU 97 1HB GLU 97 6.992 10.265 12.154 743 HB3 GLU 97 2HB GLU 97 8.638 10.400 12.740 744 HG2 GLU 97 1HG GLU 97 8.919 12.451 11.787 745 HG3 GLU 97 2HG GLU 97 8.275 11.914 10.249 746 H ASN 98 H ASN 98 9.337 8.134 12.819 747 HA ASN 98 HA ASN 98 12.068 8.220 11.800 748 HB2 ASN 98 1HB ASN 98 10.889 8.540 14.541 749 HB3 ASN 98 2HB ASN 98 12.352 7.578 14.469 750 HD21 ASN 98 1HD2 ASN 98 14.031 8.737 14.993 751 HD22 ASN 98 2HD2 ASN 98 14.395 10.354 14.490 752 H SER 99 H SER 99 13.334 6.203 12.090 753 HA SER 99 HA SER 99 11.751 3.911 11.745 754 HB2 SER 99 1HB SER 99 13.960 2.723 11.687 755 HB3 SER 99 2HB SER 99 13.892 4.104 10.610 756 HG SER 99 HG SER 99 15.242 5.273 11.925 757 H GLY 100 H GLY 100 11.854 1.912 13.106 758 HA2 GLY 100 1HA GLY 100 12.945 1.921 15.709 759 HA3 GLY 100 2HA GLY 100 11.261 2.401 15.787 760 HA PRO 101 HA PRO 101 11.725 -2.212 15.232 761 HB2 PRO 101 1HB PRO 101 11.840 -3.139 17.800 762 HB3 PRO 101 2HB PRO 101 13.258 -2.932 16.792 763 HG2 PRO 101 1HG PRO 101 12.322 -1.256 19.040 764 HG3 PRO 101 2HG PRO 101 13.914 -1.324 18.310 765 HD2 PRO 101 1HD PRO 101 11.932 0.712 17.919 766 HD3 PRO 101 2HD PRO 101 13.476 0.581 17.101 767 H SER 102 H SER 102 10.128 -3.920 15.622 768 HA SER 102 HA SER 102 7.906 -3.166 17.189 769 HB2 SER 102 1HB SER 102 7.898 -2.058 14.634 770 HB3 SER 102 2HB SER 102 6.960 -3.521 14.406 771 HG SER 102 HG SER 102 5.349 -2.728 15.604 772 H SER 103 H SER 103 8.563 -5.030 14.123 773 HA SER 103 HA SER 103 7.316 -7.315 15.350 774 HB2 SER 103 1HB SER 103 8.485 -6.981 12.551 775 HB3 SER 103 2HB SER 103 7.514 -8.334 13.097 776 HG SER 103 HG SER 103 6.181 -6.842 11.968 777 H GLY 104 H GLY 104 8.472 -9.532 14.988 778 HA2 GLY 104 1HA GLY 104 11.395 -9.227 15.287 779 HA3 GLY 104 2HA GLY 104 10.454 -10.168 16.428 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -20.424 -8.700 -20.296 2 HA2 GLY 1 1HA GLY 1 -18.350 -10.627 -20.292 3 HA3 GLY 1 2HA GLY 1 -18.340 -9.053 -19.521 4 H SER 2 H SER 2 -18.816 -12.506 -19.093 5 HA SER 2 HA SER 2 -20.186 -12.725 -16.818 6 HB2 SER 2 1HB SER 2 -18.279 -14.296 -18.261 7 HB3 SER 2 2HB SER 2 -17.812 -14.375 -16.574 8 HG SER 2 HG SER 2 -19.399 -15.773 -16.305 9 H SER 3 H SER 3 -16.586 -12.187 -17.008 10 HA SER 3 HA SER 3 -15.150 -11.560 -15.479 11 HB2 SER 3 1HB SER 3 -15.613 -9.321 -14.479 12 HB3 SER 3 2HB SER 3 -16.006 -9.384 -16.186 13 HG SER 3 HG SER 3 -17.749 -9.244 -13.926 14 H GLY 4 H GLY 4 -15.405 -13.539 -14.156 15 HA2 GLY 4 1HA GLY 4 -15.641 -13.099 -11.450 16 HA3 GLY 4 2HA GLY 4 -17.238 -13.603 -11.969 17 H SER 5 H SER 5 -14.010 -14.619 -11.193 18 HA SER 5 HA SER 5 -14.692 -17.300 -12.120 19 HB2 SER 5 1HB SER 5 -12.667 -16.155 -13.200 20 HB3 SER 5 2HB SER 5 -11.882 -16.229 -11.635 21 HG SER 5 HG SER 5 -12.392 -18.281 -13.494 22 H SER 6 H SER 6 -13.255 -18.995 -10.711 23 HA SER 6 HA SER 6 -13.390 -18.093 -7.945 24 HB2 SER 6 1HB SER 6 -15.378 -19.534 -8.626 25 HB3 SER 6 2HB SER 6 -14.257 -20.849 -8.917 26 HG SER 6 HG SER 6 -15.172 -20.974 -6.781 27 H GLY 7 H GLY 7 -12.086 -19.630 -6.452 28 HA2 GLY 7 1HA GLY 7 -10.201 -20.750 -5.941 29 HA3 GLY 7 2HA GLY 7 -10.175 -21.397 -7.569 30 H GLU 8 H GLU 8 -9.341 -18.508 -5.580 31 HA GLU 8 HA GLU 8 -6.878 -18.244 -6.833 32 HB2 GLU 8 1HB GLU 8 -7.333 -15.944 -7.893 33 HB3 GLU 8 2HB GLU 8 -7.913 -17.343 -8.775 34 HG2 GLU 8 1HG GLU 8 -10.093 -16.824 -7.169 35 HG3 GLU 8 2HG GLU 8 -9.460 -15.204 -7.381 36 H GLU 9 H GLU 9 -6.999 -18.456 -4.306 37 HA GLU 9 HA GLU 9 -7.608 -15.934 -3.057 38 HB2 GLU 9 1HB GLU 9 -7.364 -17.108 -0.960 39 HB3 GLU 9 2HB GLU 9 -8.277 -18.147 -2.036 40 HG2 GLU 9 1HG GLU 9 -6.043 -19.274 -2.654 41 HG3 GLU 9 2HG GLU 9 -5.315 -18.369 -1.341 42 H ILE 10 H ILE 10 -6.088 -14.454 -2.333 43 HA ILE 10 HA ILE 10 -3.360 -15.239 -1.985 44 HB ILE 10 HB ILE 10 -3.916 -14.777 -4.544 45 HG12 ILE 10 1HG1 ILE 10 -1.365 -13.522 -3.750 46 HG13 ILE 10 2HG1 ILE 10 -1.656 -15.091 -3.025 47 HG21 ILE 10 1HG2 ILE 10 -4.595 -12.340 -3.613 48 HG22 ILE 10 2HG2 ILE 10 -2.870 -12.067 -3.956 49 HG23 ILE 10 3HG2 ILE 10 -3.957 -12.633 -5.248 50 HD11 ILE 10 1HD1 ILE 10 -0.574 -14.786 -5.497 51 HD12 ILE 10 2HD1 ILE 10 -1.546 -16.206 -5.041 52 HD13 ILE 10 3HD1 ILE 10 -2.296 -14.866 -5.941 53 H PHE 11 H PHE 11 -2.023 -13.148 -1.428 54 HA PHE 11 HA PHE 11 -3.835 -11.350 0.024 55 HB2 PHE 11 1HB PHE 11 -1.271 -12.835 0.689 56 HB3 PHE 11 2HB PHE 11 -1.476 -11.253 1.414 57 HD1 PHE 11 1HD PHE 11 -3.561 -10.841 2.819 58 HD2 PHE 11 2HD PHE 11 -2.339 -14.718 1.602 59 HE1 PHE 11 1HE PHE 11 -4.967 -11.854 4.635 60 HE2 PHE 11 2HE PHE 11 -3.744 -15.731 3.418 61 HZ PHE 11 HZ PHE 11 -5.041 -14.288 4.913 62 H CYS 12 H CYS 12 -3.140 -9.122 0.250 63 HA CYS 12 HA CYS 12 -1.124 -8.403 -1.753 64 HB2 CYS 12 1HB CYS 12 -3.310 -7.712 -2.529 65 HB3 CYS 12 2HB CYS 12 -3.674 -6.944 -0.996 66 HG CYS 12 HG CYS 12 -0.816 -6.043 -2.047 67 H HIS 13 H HIS 13 0.690 -8.156 -0.416 68 HA HIS 13 HA HIS 13 0.439 -7.030 2.179 69 HB2 HIS 13 1HB HIS 13 2.822 -7.737 0.451 70 HB3 HIS 13 2HB HIS 13 2.970 -7.090 2.073 71 HD1 HIS 13 1HD HIS 13 3.072 -10.211 0.425 72 HD2 HIS 13 2HD HIS 13 1.205 -8.867 3.933 73 HE1 HIS 13 1HE HIS 13 2.593 -12.291 1.822 74 H VAL 14 H VAL 14 -0.020 -4.913 2.506 75 HA VAL 14 HA VAL 14 1.157 -3.003 0.609 76 HB VAL 14 HB VAL 14 -1.466 -3.236 1.955 77 HG11 VAL 14 1HG1 VAL 14 0.063 -0.644 1.807 78 HG12 VAL 14 2HG1 VAL 14 -1.710 -0.662 1.659 79 HG13 VAL 14 3HG1 VAL 14 -0.934 -1.295 3.130 80 HG21 VAL 14 1HG2 VAL 14 -2.145 -1.973 -0.132 81 HG22 VAL 14 2HG2 VAL 14 -0.445 -2.073 -0.651 82 HG23 VAL 14 3HG2 VAL 14 -1.390 -3.562 -0.407 83 H TYR 15 H TYR 15 3.126 -2.493 1.523 84 HA TYR 15 HA TYR 15 3.373 -2.200 4.362 85 HB2 TYR 15 1HB TYR 15 5.026 -1.829 1.816 86 HB3 TYR 15 2HB TYR 15 5.668 -1.213 3.326 87 HD1 TYR 15 2HD TYR 15 3.736 -4.361 2.721 88 HD2 TYR 15 1HD TYR 15 7.489 -2.612 3.799 89 HE1 TYR 15 2HE TYR 15 4.658 -6.665 3.273 90 HE2 TYR 15 1HE TYR 15 8.399 -4.922 4.348 91 HH TYR 15 HH TYR 15 6.299 -7.746 4.295 92 H ILE 16 H ILE 16 2.527 -0.458 5.401 93 HA ILE 16 HA ILE 16 1.969 1.958 4.056 94 HB ILE 16 HB ILE 16 2.143 1.460 7.027 95 HG12 ILE 16 1HG1 ILE 16 -0.490 1.274 5.712 96 HG13 ILE 16 2HG1 ILE 16 0.613 -0.022 5.294 97 HG21 ILE 16 1HG2 ILE 16 1.212 3.686 5.338 98 HG22 ILE 16 2HG2 ILE 16 0.069 3.179 6.605 99 HG23 ILE 16 3HG2 ILE 16 1.725 3.663 7.042 100 HD11 ILE 16 1HD1 ILE 16 -0.247 0.824 8.095 101 HD12 ILE 16 2HD1 ILE 16 -0.599 -0.715 7.272 102 HD13 ILE 16 3HD1 ILE 16 1.064 -0.339 7.783 103 H THR 17 H THR 17 4.430 1.101 6.592 104 HA THR 17 HA THR 17 6.042 3.333 5.539 105 HB THR 17 HB THR 17 6.671 3.840 7.792 106 HG1 THR 17 1HG THR 17 5.595 1.144 8.154 107 HG21 THR 17 1HG2 THR 17 4.047 2.793 8.704 108 HG22 THR 17 2HG2 THR 17 4.650 4.467 8.695 109 HG23 THR 17 3HG2 THR 17 3.937 3.770 7.221 110 H GLU 18 H GLU 18 8.040 2.116 7.687 111 HA GLU 18 HA GLU 18 9.228 0.384 5.696 112 HB2 GLU 18 1HB GLU 18 10.477 2.353 6.763 113 HB3 GLU 18 2HB GLU 18 10.497 1.437 8.257 114 HG2 GLU 18 1HG GLU 18 12.076 -0.054 7.488 115 HG3 GLU 18 2HG GLU 18 11.407 -0.095 5.869 116 H HIS 19 H HIS 19 7.848 0.407 8.971 117 HA HIS 19 HA HIS 19 8.284 -2.488 9.045 118 HB2 HIS 19 1HB HIS 19 8.236 -0.739 11.508 119 HB3 HIS 19 2HB HIS 19 8.691 -2.427 11.388 120 HD1 HIS 19 1HD HIS 19 11.093 -2.984 10.568 121 HD2 HIS 19 2HD HIS 19 10.226 1.119 10.665 122 HE1 HIS 19 1HE HIS 19 13.322 -1.776 10.279 123 H SER 20 H SER 20 6.058 -0.990 7.882 124 HA SER 20 HA SER 20 4.006 -2.047 9.635 125 HB2 SER 20 1HB SER 20 3.582 0.604 8.226 126 HB3 SER 20 2HB SER 20 2.648 -0.092 9.536 127 HG SER 20 HG SER 20 5.414 0.443 10.007 128 H TYR 21 H TYR 21 2.298 -3.050 8.502 129 HA TYR 21 HA TYR 21 1.915 -2.532 5.710 130 HB2 TYR 21 1HB TYR 21 2.805 -4.618 4.932 131 HB3 TYR 21 2HB TYR 21 3.968 -4.191 6.171 132 HD1 TYR 21 1HD TYR 21 3.599 -5.176 8.541 133 HD2 TYR 21 2HD TYR 21 1.650 -6.664 5.035 134 HE1 TYR 21 1HE TYR 21 3.136 -7.378 9.725 135 HE2 TYR 21 2HE TYR 21 1.193 -8.861 6.230 136 HH TYR 21 HH TYR 21 1.819 -10.115 7.988 137 H VAL 22 H VAL 22 0.302 -4.383 4.839 138 HA VAL 22 HA VAL 22 -1.418 -5.321 6.978 139 HB VAL 22 HB VAL 22 -2.333 -3.169 6.685 140 HG11 VAL 22 1HG1 VAL 22 -2.860 -2.142 4.559 141 HG12 VAL 22 2HG1 VAL 22 -1.151 -2.641 4.554 142 HG13 VAL 22 3HG1 VAL 22 -2.364 -3.609 3.682 143 HG21 VAL 22 1HG2 VAL 22 -4.565 -3.618 5.791 144 HG22 VAL 22 2HG2 VAL 22 -3.957 -5.069 4.959 145 HG23 VAL 22 3HG2 VAL 22 -3.978 -5.006 6.738 146 H SER 23 H SER 23 -2.256 -7.305 6.482 147 HA SER 23 HA SER 23 -1.602 -8.281 3.847 148 HB2 SER 23 1HB SER 23 -1.832 -9.421 6.523 149 HB3 SER 23 2HB SER 23 -2.798 -10.346 5.391 150 HG SER 23 HG SER 23 -0.277 -10.708 5.734 151 H VAL 24 H VAL 24 -3.234 -7.380 2.500 152 HA VAL 24 HA VAL 24 -5.998 -7.819 3.297 153 HB VAL 24 HB VAL 24 -4.750 -6.323 0.983 154 HG11 VAL 24 1HG1 VAL 24 -7.188 -7.337 0.825 155 HG12 VAL 24 2HG1 VAL 24 -7.595 -5.938 1.847 156 HG13 VAL 24 3HG1 VAL 24 -6.839 -5.687 0.255 157 HG21 VAL 24 1HG2 VAL 24 -4.253 -4.891 2.670 158 HG22 VAL 24 2HG2 VAL 24 -5.963 -4.431 2.493 159 HG23 VAL 24 3HG2 VAL 24 -5.477 -5.578 3.764 160 H LYS 25 H LYS 25 -7.283 -9.399 2.443 161 HA LYS 25 HA LYS 25 -6.025 -11.397 0.858 162 HB2 LYS 25 1HB LYS 25 -7.875 -11.574 2.709 163 HB3 LYS 25 2HB LYS 25 -8.983 -11.268 1.387 164 HG2 LYS 25 1HG LYS 25 -8.444 -13.268 0.277 165 HG3 LYS 25 2HG LYS 25 -6.839 -13.353 0.977 166 HD2 LYS 25 1HD LYS 25 -8.175 -13.631 3.269 167 HD3 LYS 25 2HD LYS 25 -9.490 -14.119 2.219 168 HE2 LYS 25 1HE LYS 25 -7.242 -15.519 1.221 169 HE3 LYS 25 2HE LYS 25 -7.064 -15.598 2.962 170 HZ1 LYS 25 1HZ LYS 25 -9.153 -16.689 1.296 171 HZ2 LYS 25 2HZ LYS 25 -8.463 -17.308 2.641 172 HZ3 LYS 25 3HZ LYS 25 -9.605 -16.148 2.770 173 H ALA 26 H ALA 26 -5.443 -10.746 -1.187 174 HA ALA 26 HA ALA 26 -7.506 -9.402 -2.772 175 HB1 ALA 26 1HB ALA 26 -5.182 -8.415 -2.504 176 HB2 ALA 26 2HB ALA 26 -4.562 -9.814 -3.414 177 HB3 ALA 26 3HB ALA 26 -5.699 -8.682 -4.186 178 H LYS 27 H LYS 27 -7.118 -10.107 -5.293 179 HA LYS 27 HA LYS 27 -7.235 -13.043 -5.264 180 HB2 LYS 27 1HB LYS 27 -8.803 -11.212 -7.097 181 HB3 LYS 27 2HB LYS 27 -8.955 -12.950 -6.940 182 HG2 LYS 27 1HG LYS 27 -9.289 -11.341 -4.425 183 HG3 LYS 27 2HG LYS 27 -10.565 -11.203 -5.618 184 HD2 LYS 27 1HD LYS 27 -11.100 -13.517 -5.510 185 HD3 LYS 27 2HD LYS 27 -9.544 -13.947 -4.831 186 HE2 LYS 27 1HE LYS 27 -10.401 -13.781 -2.739 187 HE3 LYS 27 2HE LYS 27 -10.752 -12.085 -3.009 188 HZ1 LYS 27 1HZ LYS 27 -12.845 -12.683 -3.941 189 HZ2 LYS 27 2HZ LYS 27 -12.513 -14.279 -3.855 190 HZ3 LYS 27 3HZ LYS 27 -12.711 -13.412 -2.486 191 H VAL 28 H VAL 28 -7.010 -13.786 -7.779 192 HA VAL 28 HA VAL 28 -4.366 -12.883 -8.471 193 HB VAL 28 HB VAL 28 -5.263 -15.281 -8.416 194 HG11 VAL 28 1HG1 VAL 28 -7.199 -14.343 -10.085 195 HG12 VAL 28 2HG1 VAL 28 -6.047 -15.024 -11.260 196 HG13 VAL 28 3HG1 VAL 28 -6.715 -16.052 -9.969 197 HG21 VAL 28 1HG2 VAL 28 -3.071 -14.869 -9.249 198 HG22 VAL 28 2HG2 VAL 28 -3.881 -15.900 -10.453 199 HG23 VAL 28 3HG2 VAL 28 -3.699 -14.155 -10.754 200 H SER 29 H SER 29 -7.287 -11.495 -8.893 201 HA SER 29 HA SER 29 -6.383 -10.222 -11.300 202 HB2 SER 29 1HB SER 29 -9.266 -11.103 -11.309 203 HB3 SER 29 2HB SER 29 -8.230 -10.700 -12.664 204 HG SER 29 HG SER 29 -7.841 -12.787 -12.862 205 H SER 30 H SER 30 -6.808 -9.661 -8.350 206 HA SER 30 HA SER 30 -9.071 -7.896 -8.374 207 HB2 SER 30 1HB SER 30 -8.490 -9.304 -6.376 208 HB3 SER 30 2HB SER 30 -6.992 -8.411 -6.200 209 HG SER 30 HG SER 30 -8.864 -6.528 -6.333 210 H ILE 31 H ILE 31 -8.912 -5.570 -8.017 211 HA ILE 31 HA ILE 31 -6.480 -4.487 -9.168 212 HB ILE 31 HB ILE 31 -7.857 -2.365 -9.139 213 HG12 ILE 31 1HG1 ILE 31 -10.155 -4.245 -8.539 214 HG13 ILE 31 2HG1 ILE 31 -9.425 -3.197 -7.339 215 HG21 ILE 31 1HG2 ILE 31 -7.649 -4.368 -10.961 216 HG22 ILE 31 2HG2 ILE 31 -9.415 -4.289 -10.748 217 HG23 ILE 31 3HG2 ILE 31 -8.512 -2.835 -11.238 218 HD11 ILE 31 1HD1 ILE 31 -9.858 -1.456 -9.479 219 HD12 ILE 31 2HD1 ILE 31 -11.280 -2.525 -9.527 220 HD13 ILE 31 3HD1 ILE 31 -10.900 -1.617 -8.045 221 H ALA 32 H ALA 32 -5.753 -2.275 -8.152 222 HA ALA 32 HA ALA 32 -4.847 -2.879 -5.553 223 HB1 ALA 32 1HB ALA 32 -4.832 -0.102 -6.729 224 HB2 ALA 32 2HB ALA 32 -3.573 -0.941 -5.791 225 HB3 ALA 32 3HB ALA 32 -3.864 -1.387 -7.490 226 H GLN 33 H GLN 33 -7.421 -0.727 -6.885 227 HA GLN 33 HA GLN 33 -8.067 0.632 -4.648 228 HB2 GLN 33 1HB GLN 33 -9.140 1.144 -6.741 229 HB3 GLN 33 2HB GLN 33 -9.820 -0.465 -6.877 230 HG2 GLN 33 1HG GLN 33 -11.693 0.582 -6.034 231 HG3 GLN 33 2HG GLN 33 -10.925 0.221 -4.501 232 HE21 GLN 33 1HE2 GLN 33 -9.301 1.873 -3.743 233 HE22 GLN 33 2HE2 GLN 33 -9.724 3.546 -3.897 234 H GLU 34 H GLU 34 -8.906 -2.746 -5.523 235 HA GLU 34 HA GLU 34 -10.791 -3.142 -3.541 236 HB2 GLU 34 1HB GLU 34 -8.921 -5.023 -5.025 237 HB3 GLU 34 2HB GLU 34 -10.068 -5.621 -3.842 238 HG2 GLU 34 1HG GLU 34 -11.375 -3.749 -5.674 239 HG3 GLU 34 2HG GLU 34 -10.575 -5.023 -6.572 240 H ILE 35 H ILE 35 -7.336 -2.739 -3.380 241 HA ILE 35 HA ILE 35 -7.236 -4.008 -0.750 242 HB ILE 35 HB ILE 35 -4.975 -2.919 -2.424 243 HG12 ILE 35 1HG1 ILE 35 -6.057 -4.643 -3.714 244 HG13 ILE 35 2HG1 ILE 35 -4.548 -5.263 -3.074 245 HG21 ILE 35 1HG2 ILE 35 -4.126 -5.005 -0.740 246 HG22 ILE 35 2HG2 ILE 35 -3.759 -3.269 -0.602 247 HG23 ILE 35 3HG2 ILE 35 -5.156 -3.954 0.262 248 HD11 ILE 35 1HD1 ILE 35 -6.451 -6.886 -2.843 249 HD12 ILE 35 2HD1 ILE 35 -5.727 -6.451 -1.277 250 HD13 ILE 35 3HD1 ILE 35 -7.273 -5.723 -1.776 251 H LEU 36 H LEU 36 -6.591 -0.892 -2.467 252 HA LEU 36 HA LEU 36 -5.795 0.557 -0.254 253 HB2 LEU 36 1HB LEU 36 -5.647 1.194 -2.666 254 HB3 LEU 36 2HB LEU 36 -7.360 1.561 -2.633 255 HG LEU 36 HG LEU 36 -6.794 3.192 -0.716 256 HD11 LEU 36 1HD1 LEU 36 -4.129 3.700 -1.735 257 HD12 LEU 36 2HD1 LEU 36 -4.694 3.498 -0.059 258 HD13 LEU 36 3HD1 LEU 36 -4.252 2.071 -1.027 259 HD21 LEU 36 1HD2 LEU 36 -6.251 3.520 -3.634 260 HD22 LEU 36 2HD2 LEU 36 -7.492 4.271 -2.603 261 HD23 LEU 36 3HD2 LEU 36 -5.809 4.847 -2.533 262 H LYS 37 H LYS 37 -9.086 -0.183 -1.520 263 HA LYS 37 HA LYS 37 -10.467 1.482 0.239 264 HB2 LYS 37 1HB LYS 37 -12.418 0.130 -0.361 265 HB3 LYS 37 2HB LYS 37 -11.470 0.556 -1.772 266 HG2 LYS 37 1HG LYS 37 -11.372 -1.648 -2.294 267 HG3 LYS 37 2HG LYS 37 -10.345 -1.884 -0.894 268 HD2 LYS 37 1HD LYS 37 -12.330 -2.279 0.538 269 HD3 LYS 37 2HD LYS 37 -13.398 -1.947 -0.811 270 HE2 LYS 37 1HE LYS 37 -11.622 -3.924 -1.789 271 HE3 LYS 37 2HE LYS 37 -11.968 -4.424 -0.145 272 HZ1 LYS 37 1HZ LYS 37 -14.212 -3.543 -1.738 273 HZ2 LYS 37 2HZ LYS 37 -13.551 -4.983 -2.133 274 HZ3 LYS 37 3HZ LYS 37 -14.130 -4.736 -0.626 275 H VAL 38 H VAL 38 -8.979 -1.724 0.619 276 HA VAL 38 HA VAL 38 -10.309 -2.173 3.135 277 HB VAL 38 HB VAL 38 -8.002 -3.673 1.890 278 HG11 VAL 38 1HG1 VAL 38 -9.251 -3.934 4.374 279 HG12 VAL 38 2HG1 VAL 38 -9.983 -5.211 3.373 280 HG13 VAL 38 3HG1 VAL 38 -8.215 -5.136 3.568 281 HG21 VAL 38 1HG2 VAL 38 -9.477 -4.991 0.636 282 HG22 VAL 38 2HG2 VAL 38 -10.902 -4.435 1.546 283 HG23 VAL 38 3HG2 VAL 38 -10.093 -3.337 0.403 284 H VAL 39 H VAL 39 -6.849 -1.792 2.071 285 HA VAL 39 HA VAL 39 -5.686 -1.597 4.502 286 HB VAL 39 HB VAL 39 -5.106 -0.057 1.966 287 HG11 VAL 39 1HG1 VAL 39 -3.532 1.065 3.078 288 HG12 VAL 39 2HG1 VAL 39 -3.909 0.187 4.580 289 HG13 VAL 39 3HG1 VAL 39 -2.725 -0.482 3.430 290 HG21 VAL 39 1HG2 VAL 39 -4.077 -2.691 3.065 291 HG22 VAL 39 2HG2 VAL 39 -5.034 -2.430 1.587 292 HG23 VAL 39 3HG2 VAL 39 -3.358 -1.837 1.679 293 H ALA 40 H ALA 40 -7.161 1.134 2.617 294 HA ALA 40 HA ALA 40 -6.666 3.203 4.260 295 HB1 ALA 40 1HB ALA 40 -7.837 3.702 2.306 296 HB2 ALA 40 2HB ALA 40 -9.040 2.417 2.575 297 HB3 ALA 40 3HB ALA 40 -9.100 3.910 3.543 298 H GLU 41 H GLU 41 -9.280 0.729 4.661 299 HA GLU 41 HA GLU 41 -10.243 1.926 7.012 300 HB2 GLU 41 1HB GLU 41 -10.606 -0.989 6.228 301 HB3 GLU 41 2HB GLU 41 -11.693 0.013 7.169 302 HG2 GLU 41 1HG GLU 41 -11.200 1.295 4.606 303 HG3 GLU 41 2HG GLU 41 -11.676 -0.369 4.331 304 H LYS 42 H LYS 42 -7.966 -0.777 6.287 305 HA LYS 42 HA LYS 42 -7.654 -1.753 8.841 306 HB2 LYS 42 1HB LYS 42 -6.349 -1.978 6.282 307 HB3 LYS 42 2HB LYS 42 -5.135 -1.865 7.541 308 HG2 LYS 42 1HG LYS 42 -5.685 -4.206 7.315 309 HG3 LYS 42 2HG LYS 42 -6.391 -3.668 8.826 310 HD2 LYS 42 1HD LYS 42 -8.322 -4.596 8.037 311 HD3 LYS 42 2HD LYS 42 -8.459 -3.139 7.073 312 HE2 LYS 42 1HE LYS 42 -8.689 -5.278 5.736 313 HE3 LYS 42 2HE LYS 42 -7.435 -4.207 5.146 314 HZ1 LYS 42 1HZ LYS 42 -6.599 -6.114 7.127 315 HZ2 LYS 42 2HZ LYS 42 -7.036 -6.750 5.687 316 HZ3 LYS 42 3HZ LYS 42 -5.846 -5.633 5.759 317 H ILE 43 H ILE 43 -6.513 1.260 7.374 318 HA ILE 43 HA ILE 43 -4.946 1.780 9.797 319 HB ILE 43 HB ILE 43 -3.608 3.206 8.583 320 HG12 ILE 43 1HG1 ILE 43 -5.641 3.302 6.336 321 HG13 ILE 43 2HG1 ILE 43 -5.512 4.507 7.601 322 HG21 ILE 43 1HG2 ILE 43 -2.647 1.851 7.017 323 HG22 ILE 43 2HG2 ILE 43 -3.709 0.672 7.824 324 HG23 ILE 43 3HG2 ILE 43 -4.204 1.403 6.278 325 HD11 ILE 43 1HD1 ILE 43 -2.975 4.633 6.905 326 HD12 ILE 43 2HD1 ILE 43 -3.531 3.849 5.407 327 HD13 ILE 43 3HD1 ILE 43 -4.193 5.432 5.882 328 H GLN 44 H GLN 44 -7.916 2.429 8.155 329 HA GLN 44 HA GLN 44 -9.637 3.617 8.784 330 HB2 GLN 44 1HB GLN 44 -7.995 4.867 11.025 331 HB3 GLN 44 2HB GLN 44 -9.743 4.794 10.910 332 HG2 GLN 44 1HG GLN 44 -9.458 2.203 10.858 333 HG3 GLN 44 2HG GLN 44 -7.809 2.490 11.376 334 HE21 GLN 44 1HE2 GLN 44 -7.604 4.088 13.241 335 HE22 GLN 44 2HE2 GLN 44 -8.683 3.876 14.579 336 H TYR 45 H TYR 45 -8.410 4.488 6.615 337 HA TYR 45 HA TYR 45 -8.305 7.401 6.978 338 HB2 TYR 45 1HB TYR 45 -6.296 5.447 6.084 339 HB3 TYR 45 2HB TYR 45 -6.707 6.486 4.734 340 HD1 TYR 45 2HD TYR 45 -5.463 6.510 8.243 341 HD2 TYR 45 1HD TYR 45 -5.870 8.705 4.593 342 HE1 TYR 45 2HE TYR 45 -3.903 8.305 9.140 343 HE2 TYR 45 1HE TYR 45 -4.308 10.493 5.503 344 HH TYR 45 HH TYR 45 -2.641 10.780 7.101 345 H ALA 46 H ALA 46 -7.881 7.950 4.185 346 HA ALA 46 HA ALA 46 -10.448 6.985 3.124 347 HB1 ALA 46 1HB ALA 46 -9.516 9.606 3.634 348 HB2 ALA 46 2HB ALA 46 -9.441 9.400 1.868 349 HB3 ALA 46 3HB ALA 46 -10.975 9.134 2.731 350 H GLU 47 H GLU 47 -9.967 5.303 1.770 351 HA GLU 47 HA GLU 47 -7.641 4.747 0.597 352 HB2 GLU 47 1HB GLU 47 -9.043 3.593 -1.213 353 HB3 GLU 47 2HB GLU 47 -9.411 3.158 0.444 354 HG2 GLU 47 1HG GLU 47 -11.309 4.778 0.461 355 HG3 GLU 47 2HG GLU 47 -10.932 5.250 -1.184 356 H GLU 48 H GLU 48 -10.192 6.968 -0.669 357 HA GLU 48 HA GLU 48 -9.032 7.427 -3.122 358 HB2 GLU 48 1HB GLU 48 -10.320 9.695 -2.893 359 HB3 GLU 48 2HB GLU 48 -11.235 8.200 -2.906 360 HG2 GLU 48 1HG GLU 48 -11.707 8.295 -0.608 361 HG3 GLU 48 2HG GLU 48 -10.277 9.239 -0.240 362 H ASP 49 H ASP 49 -8.362 8.795 0.110 363 HA ASP 49 HA ASP 49 -6.713 10.851 -0.937 364 HB2 ASP 49 1HB ASP 49 -6.984 9.706 1.883 365 HB3 ASP 49 2HB ASP 49 -6.078 11.155 1.491 366 H LEU 50 H LEU 50 -6.424 7.484 -0.601 367 HA LEU 50 HA LEU 50 -3.531 7.635 -0.138 368 HB2 LEU 50 1HB LEU 50 -5.467 5.340 0.195 369 HB3 LEU 50 2HB LEU 50 -3.727 5.211 0.367 370 HG LEU 50 HG LEU 50 -5.595 6.855 2.096 371 HD11 LEU 50 1HD1 LEU 50 -4.105 4.266 2.531 372 HD12 LEU 50 2HD1 LEU 50 -4.690 5.271 3.878 373 HD13 LEU 50 3HD1 LEU 50 -5.845 4.597 2.703 374 HD21 LEU 50 1HD2 LEU 50 -3.597 8.116 1.962 375 HD22 LEU 50 2HD2 LEU 50 -3.519 7.218 3.497 376 HD23 LEU 50 3HD2 LEU 50 -2.579 6.662 2.091 377 H ALA 51 H ALA 51 -2.516 5.487 -1.345 378 HA ALA 51 HA ALA 51 -3.623 4.872 -3.855 379 HB1 ALA 51 1HB ALA 51 -3.006 7.292 -4.224 380 HB2 ALA 51 2HB ALA 51 -1.308 6.844 -3.933 381 HB3 ALA 51 3HB ALA 51 -2.187 6.152 -5.318 382 H LEU 52 H LEU 52 -2.509 3.123 -4.771 383 HA LEU 52 HA LEU 52 -0.516 1.973 -3.035 384 HB2 LEU 52 1HB LEU 52 -1.781 0.921 -5.569 385 HB3 LEU 52 2HB LEU 52 -0.759 0.013 -4.473 386 HG LEU 52 HG LEU 52 -2.792 -0.704 -3.754 387 HD11 LEU 52 1HD1 LEU 52 -3.438 0.373 -1.693 388 HD12 LEU 52 2HD1 LEU 52 -1.666 0.423 -1.855 389 HD13 LEU 52 3HD1 LEU 52 -2.632 1.882 -2.183 390 HD21 LEU 52 1HD2 LEU 52 -3.855 1.052 -5.440 391 HD22 LEU 52 2HD2 LEU 52 -4.826 0.219 -4.203 392 HD23 LEU 52 3HD2 LEU 52 -4.265 1.885 -3.921 393 H VAL 53 H VAL 53 1.647 2.135 -3.298 394 HA VAL 53 HA VAL 53 2.591 2.894 -5.974 395 HB VAL 53 HB VAL 53 4.017 4.493 -5.115 396 HG11 VAL 53 1HG1 VAL 53 1.347 4.761 -4.630 397 HG12 VAL 53 2HG1 VAL 53 2.020 5.065 -3.010 398 HG13 VAL 53 3HG1 VAL 53 2.550 6.052 -4.393 399 HG21 VAL 53 1HG2 VAL 53 3.553 3.471 -2.294 400 HG22 VAL 53 2HG2 VAL 53 4.950 3.043 -3.311 401 HG23 VAL 53 3HG2 VAL 53 4.700 4.732 -2.808 402 H ALA 54 H ALA 54 4.100 1.530 -6.805 403 HA ALA 54 HA ALA 54 5.020 -0.607 -5.070 404 HB1 ALA 54 1HB ALA 54 5.058 -0.101 -8.064 405 HB2 ALA 54 2HB ALA 54 5.886 -1.485 -7.311 406 HB3 ALA 54 3HB ALA 54 4.120 -1.318 -7.166 407 H ILE 55 H ILE 55 7.144 -0.910 -4.429 408 HA ILE 55 HA ILE 55 8.943 1.300 -5.110 409 HB ILE 55 HB ILE 55 9.091 -0.614 -2.781 410 HG12 ILE 55 1HG1 ILE 55 7.033 0.997 -2.977 411 HG13 ILE 55 2HG1 ILE 55 7.887 0.821 -1.456 412 HG21 ILE 55 1HG2 ILE 55 10.721 1.711 -3.706 413 HG22 ILE 55 2HG2 ILE 55 10.479 1.488 -1.957 414 HG23 ILE 55 3HG2 ILE 55 11.221 0.192 -2.925 415 HD11 ILE 55 1HD1 ILE 55 8.963 2.910 -1.653 416 HD12 ILE 55 2HD1 ILE 55 8.764 2.954 -3.421 417 HD13 ILE 55 3HD1 ILE 55 7.363 3.235 -2.360 418 H THR 56 H THR 56 10.233 0.807 -6.807 419 HA THR 56 HA THR 56 10.779 -1.837 -7.599 420 HB THR 56 HB THR 56 10.773 0.198 -9.079 421 HG1 THR 56 1HG THR 56 12.856 -0.500 -10.085 422 HG21 THR 56 1HG2 THR 56 13.306 0.809 -7.476 423 HG22 THR 56 2HG2 THR 56 13.001 1.484 -9.095 424 HG23 THR 56 3HG2 THR 56 11.914 1.886 -7.744 425 H PHE 57 H PHE 57 13.019 -2.773 -7.834 426 HA PHE 57 HA PHE 57 14.049 -3.403 -5.418 427 HB2 PHE 57 1HB PHE 57 14.585 -4.522 -7.576 428 HB3 PHE 57 2HB PHE 57 15.350 -3.067 -8.183 429 HD1 PHE 57 1HD PHE 57 15.666 -5.601 -5.473 430 HD2 PHE 57 2HD PHE 57 17.649 -2.794 -7.962 431 HE1 PHE 57 1HE PHE 57 17.883 -6.410 -4.618 432 HE2 PHE 57 2HE PHE 57 19.866 -3.603 -7.107 433 HZ PHE 57 HZ PHE 57 19.957 -5.401 -5.445 434 H SER 58 H SER 58 15.685 -1.102 -7.720 435 HA SER 58 HA SER 58 17.653 -0.246 -6.188 436 HB2 SER 58 1HB SER 58 16.088 0.863 -8.383 437 HB3 SER 58 2HB SER 58 16.608 2.150 -7.312 438 HG SER 58 HG SER 58 18.194 1.706 -8.966 439 H GLY 59 H GLY 59 14.637 1.779 -6.373 440 HA2 GLY 59 1HA GLY 59 13.749 1.838 -3.853 441 HA3 GLY 59 2HA GLY 59 15.184 2.835 -3.723 442 H GLU 60 H GLU 60 12.291 2.397 -5.884 443 HA GLU 60 HA GLU 60 11.903 5.252 -5.724 444 HB2 GLU 60 1HB GLU 60 12.487 3.723 -8.265 445 HB3 GLU 60 2HB GLU 60 11.410 5.103 -8.330 446 HG2 GLU 60 1HG GLU 60 13.232 6.451 -7.121 447 HG3 GLU 60 2HG GLU 60 14.300 5.082 -7.354 448 H LYS 61 H LYS 61 9.834 5.454 -4.995 449 HA LYS 61 HA LYS 61 7.978 3.309 -5.375 450 HB2 LYS 61 1HB LYS 61 6.674 4.373 -3.789 451 HB3 LYS 61 2HB LYS 61 8.292 4.853 -3.318 452 HG2 LYS 61 1HG LYS 61 7.519 6.804 -5.210 453 HG3 LYS 61 2HG LYS 61 6.064 6.514 -4.277 454 HD2 LYS 61 1HD LYS 61 7.062 8.118 -2.924 455 HD3 LYS 61 2HD LYS 61 7.738 6.673 -2.197 456 HE2 LYS 61 1HE LYS 61 9.826 6.925 -3.413 457 HE3 LYS 61 2HE LYS 61 9.150 8.164 -4.452 458 HZ1 LYS 61 1HZ LYS 61 8.759 9.359 -2.220 459 HZ2 LYS 61 2HZ LYS 61 9.926 8.364 -1.659 460 HZ3 LYS 61 3HZ LYS 61 10.246 9.381 -2.895 461 H HIS 62 H HIS 62 5.992 3.381 -6.549 462 HA HIS 62 HA HIS 62 5.656 5.648 -8.323 463 HB2 HIS 62 1HB HIS 62 6.871 3.218 -9.171 464 HB3 HIS 62 2HB HIS 62 5.262 3.255 -9.864 465 HD1 HIS 62 1HD HIS 62 7.944 5.978 -9.406 466 HD2 HIS 62 2HD HIS 62 5.454 4.332 -12.353 467 HE1 HIS 62 1HE HIS 62 8.392 7.302 -11.541 468 H GLU 63 H GLU 63 3.617 6.293 -7.847 469 HA GLU 63 HA GLU 63 1.772 4.556 -6.679 470 HB2 GLU 63 1HB GLU 63 1.862 7.079 -6.431 471 HB3 GLU 63 2HB GLU 63 1.218 7.220 -8.054 472 HG2 GLU 63 1HG GLU 63 -0.447 5.351 -6.626 473 HG3 GLU 63 2HG GLU 63 -0.216 6.746 -5.590 474 H LEU 64 H LEU 64 0.488 3.026 -7.614 475 HA LEU 64 HA LEU 64 0.397 2.878 -10.479 476 HB2 LEU 64 1HB LEU 64 -0.744 1.160 -8.275 477 HB3 LEU 64 2HB LEU 64 -0.956 0.819 -9.981 478 HG LEU 64 HG LEU 64 0.817 -0.546 -9.429 479 HD11 LEU 64 1HD1 LEU 64 2.691 0.210 -10.615 480 HD12 LEU 64 2HD1 LEU 64 1.323 1.108 -11.316 481 HD13 LEU 64 3HD1 LEU 64 2.413 1.908 -10.158 482 HD21 LEU 64 1HD2 LEU 64 2.637 -0.010 -7.920 483 HD22 LEU 64 2HD2 LEU 64 2.037 1.656 -7.742 484 HD23 LEU 64 3HD2 LEU 64 1.074 0.293 -7.124 485 H GLN 65 H GLN 65 -2.535 1.697 -9.318 486 HA GLN 65 HA GLN 65 -3.944 4.164 -9.347 487 HB2 GLN 65 1HB GLN 65 -4.040 2.303 -11.743 488 HB3 GLN 65 2HB GLN 65 -5.403 3.332 -11.350 489 HG2 GLN 65 1HG GLN 65 -3.399 5.180 -11.188 490 HG3 GLN 65 2HG GLN 65 -2.679 4.085 -12.352 491 HE21 GLN 65 1HE2 GLN 65 -5.236 6.321 -11.675 492 HE22 GLN 65 2HE2 GLN 65 -5.883 6.470 -13.275 493 HA PRO 66 HA PRO 66 -6.896 1.676 -7.355 494 HB2 PRO 66 1HB PRO 66 -9.327 2.667 -8.111 495 HB3 PRO 66 2HB PRO 66 -8.307 3.441 -6.915 496 HG2 PRO 66 1HG PRO 66 -8.804 4.234 -9.720 497 HG3 PRO 66 2HG PRO 66 -8.151 5.193 -8.407 498 HD2 PRO 66 1HD PRO 66 -6.678 4.011 -10.566 499 HD3 PRO 66 2HD PRO 66 -6.014 4.872 -9.192 500 H ASN 67 H ASN 67 -6.261 1.167 -10.428 501 HA ASN 67 HA ASN 67 -8.209 -1.001 -10.503 502 HB2 ASN 67 1HB ASN 67 -8.902 0.388 -12.304 503 HB3 ASN 67 2HB ASN 67 -7.266 0.897 -12.674 504 HD21 ASN 67 1HD2 ASN 67 -6.115 -0.140 -14.159 505 HD22 ASN 67 2HD2 ASN 67 -6.588 -1.581 -14.997 506 H ASP 68 H ASP 68 -4.926 0.278 -11.144 507 HA ASP 68 HA ASP 68 -3.756 -1.685 -12.523 508 HB2 ASP 68 1HB ASP 68 -2.891 0.220 -10.404 509 HB3 ASP 68 2HB ASP 68 -1.822 -1.154 -10.606 510 H LEU 69 H LEU 69 -3.909 -3.911 -12.178 511 HA LEU 69 HA LEU 69 -4.780 -5.189 -9.982 512 HB2 LEU 69 1HB LEU 69 -3.641 -5.872 -12.427 513 HB3 LEU 69 2HB LEU 69 -2.612 -6.659 -11.246 514 HG LEU 69 HG LEU 69 -4.582 -7.771 -10.259 515 HD11 LEU 69 1HD1 LEU 69 -6.344 -6.233 -10.685 516 HD12 LEU 69 2HD1 LEU 69 -6.086 -6.316 -12.444 517 HD13 LEU 69 3HD1 LEU 69 -6.731 -7.727 -11.572 518 HD21 LEU 69 1HD2 LEU 69 -3.726 -8.161 -13.076 519 HD22 LEU 69 2HD2 LEU 69 -3.644 -9.262 -11.680 520 HD23 LEU 69 3HD2 LEU 69 -5.182 -9.037 -12.546 521 H VAL 70 H VAL 70 -3.818 -6.287 -8.162 522 HA VAL 70 HA VAL 70 -1.325 -4.980 -7.324 523 HB VAL 70 HB VAL 70 -2.377 -5.938 -5.040 524 HG11 VAL 70 1HG1 VAL 70 -3.241 -3.646 -4.642 525 HG12 VAL 70 2HG1 VAL 70 -1.622 -3.653 -5.383 526 HG13 VAL 70 3HG1 VAL 70 -3.055 -3.297 -6.377 527 HG21 VAL 70 1HG2 VAL 70 -4.814 -5.467 -5.031 528 HG22 VAL 70 2HG2 VAL 70 -4.761 -5.274 -6.800 529 HG23 VAL 70 3HG2 VAL 70 -4.383 -6.850 -6.065 530 H ILE 71 H ILE 71 -1.555 -7.341 -9.113 531 HA ILE 71 HA ILE 71 0.324 -8.969 -7.786 532 HB ILE 71 HB ILE 71 -1.594 -9.784 -6.573 533 HG12 ILE 71 1HG1 ILE 71 -0.980 -11.953 -8.564 534 HG13 ILE 71 2HG1 ILE 71 0.295 -11.308 -7.550 535 HG21 ILE 71 1HG2 ILE 71 -3.577 -9.598 -7.593 536 HG22 ILE 71 2HG2 ILE 71 -2.865 -9.710 -9.221 537 HG23 ILE 71 3HG2 ILE 71 -3.197 -11.191 -8.291 538 HD11 ILE 71 1HD1 ILE 71 -1.755 -11.683 -5.712 539 HD12 ILE 71 2HD1 ILE 71 -1.981 -13.051 -6.828 540 HD13 ILE 71 3HD1 ILE 71 -0.420 -12.823 -6.004 541 H SER 72 H SER 72 1.136 -7.916 -9.865 542 HA SER 72 HA SER 72 1.568 -9.769 -11.742 543 HB2 SER 72 1HB SER 72 -1.105 -8.629 -12.085 544 HB3 SER 72 2HB SER 72 -0.112 -8.307 -13.492 545 HG SER 72 HG SER 72 -0.238 -10.942 -12.327 546 H LYS 73 H LYS 73 3.396 -8.980 -12.731 547 HA LYS 73 HA LYS 73 3.635 -6.659 -14.108 548 HB2 LYS 73 1HB LYS 73 3.666 -6.138 -11.234 549 HB3 LYS 73 2HB LYS 73 5.139 -5.598 -12.012 550 HG2 LYS 73 1HG LYS 73 2.735 -4.946 -13.599 551 HG3 LYS 73 2HG LYS 73 2.683 -4.239 -11.997 552 HD2 LYS 73 1HD LYS 73 4.022 -2.591 -12.809 553 HD3 LYS 73 2HD LYS 73 5.324 -3.763 -12.789 554 HE2 LYS 73 1HE LYS 73 4.359 -4.494 -15.147 555 HE3 LYS 73 2HE LYS 73 3.574 -2.927 -15.121 556 HZ1 LYS 73 1HZ LYS 73 6.262 -2.687 -14.348 557 HZ2 LYS 73 2HZ LYS 73 6.167 -3.447 -15.791 558 HZ3 LYS 73 3HZ LYS 73 5.486 -1.976 -15.596 559 H SER 74 H SER 74 5.813 -6.344 -14.898 560 HA SER 74 HA SER 74 7.247 -8.739 -14.908 561 HB2 SER 74 1HB SER 74 7.605 -5.982 -16.044 562 HB3 SER 74 2HB SER 74 9.029 -7.000 -15.973 563 HG SER 74 HG SER 74 7.336 -7.046 -17.911 564 H LEU 75 H LEU 75 8.724 -5.520 -14.152 565 HA LEU 75 HA LEU 75 9.711 -6.608 -11.635 566 HB2 LEU 75 1HB LEU 75 11.374 -5.790 -13.984 567 HB3 LEU 75 2HB LEU 75 11.970 -5.490 -12.364 568 HG LEU 75 HG LEU 75 11.279 -8.095 -12.110 569 HD11 LEU 75 1HD1 LEU 75 11.554 -9.373 -14.013 570 HD12 LEU 75 2HD1 LEU 75 10.665 -7.965 -14.641 571 HD13 LEU 75 3HD1 LEU 75 12.424 -8.088 -14.885 572 HD21 LEU 75 1HD2 LEU 75 13.521 -8.506 -11.920 573 HD22 LEU 75 2HD2 LEU 75 13.939 -7.537 -13.354 574 HD23 LEU 75 3HD2 LEU 75 13.520 -6.728 -11.824 575 H GLU 76 H GLU 76 8.168 -5.183 -10.656 576 HA GLU 76 HA GLU 76 9.231 -2.672 -10.120 577 HB2 GLU 76 1HB GLU 76 7.444 -2.791 -12.424 578 HB3 GLU 76 2HB GLU 76 6.747 -1.787 -11.169 579 HG2 GLU 76 1HG GLU 76 9.209 -0.766 -11.033 580 HG3 GLU 76 2HG GLU 76 9.362 -1.430 -12.648 581 H ALA 77 H ALA 77 5.942 -4.191 -10.514 582 HA ALA 77 HA ALA 77 5.237 -3.313 -7.854 583 HB1 ALA 77 1HB ALA 77 3.355 -3.133 -9.130 584 HB2 ALA 77 2HB ALA 77 3.881 -4.394 -10.270 585 HB3 ALA 77 3HB ALA 77 3.158 -4.852 -8.709 586 H SER 78 H SER 78 6.384 -6.205 -9.554 587 HA SER 78 HA SER 78 5.552 -8.058 -7.656 588 HB2 SER 78 1HB SER 78 6.954 -9.607 -8.806 589 HB3 SER 78 2HB SER 78 6.403 -8.485 -10.035 590 HG SER 78 HG SER 78 8.456 -7.313 -9.748 591 H GLY 79 H GLY 79 6.025 -7.204 -5.540 592 HA2 GLY 79 1HA GLY 79 8.438 -7.990 -4.399 593 HA3 GLY 79 2HA GLY 79 8.590 -6.286 -4.779 594 H ARG 80 H ARG 80 7.185 -4.717 -3.757 595 HA ARG 80 HA ARG 80 5.391 -5.760 -1.772 596 HB2 ARG 80 1HB ARG 80 8.003 -4.436 -1.160 597 HB3 ARG 80 2HB ARG 80 6.637 -3.818 -0.254 598 HG2 ARG 80 1HG ARG 80 6.725 -5.619 1.116 599 HG3 ARG 80 2HG ARG 80 6.390 -6.673 -0.243 600 HD2 ARG 80 1HD ARG 80 9.003 -6.297 -0.751 601 HD3 ARG 80 2HD ARG 80 9.057 -5.916 0.958 602 HE ARG 80 HE ARG 80 7.569 -8.304 0.751 603 HH11 ARG 80 2HH2 ARG 80 10.832 -7.222 -0.004 604 HH12 ARG 80 1HH2 ARG 80 11.541 -8.785 0.228 605 HH21 ARG 80 2HH1 ARG 80 8.505 -10.366 1.056 606 HH22 ARG 80 1HH1 ARG 80 10.208 -10.585 0.835 607 H ILE 81 H ILE 81 3.531 -4.535 -1.891 608 HA ILE 81 HA ILE 81 3.670 -2.022 -3.320 609 HB ILE 81 HB ILE 81 1.353 -3.661 -2.288 610 HG12 ILE 81 1HG1 ILE 81 2.324 -4.892 -4.026 611 HG13 ILE 81 2HG1 ILE 81 1.016 -4.014 -4.793 612 HG21 ILE 81 1HG2 ILE 81 1.188 -1.021 -2.629 613 HG22 ILE 81 2HG2 ILE 81 0.974 -1.521 -4.323 614 HG23 ILE 81 3HG2 ILE 81 -0.132 -2.131 -3.070 615 HD11 ILE 81 1HD1 ILE 81 2.859 -3.712 -6.263 616 HD12 ILE 81 2HD1 ILE 81 2.791 -2.190 -5.343 617 HD13 ILE 81 3HD1 ILE 81 3.994 -3.432 -4.921 618 H TYR 82 H TYR 82 3.140 0.012 -2.464 619 HA TYR 82 HA TYR 82 2.936 0.056 0.472 620 HB2 TYR 82 1HB TYR 82 4.369 1.791 -1.624 621 HB3 TYR 82 2HB TYR 82 4.133 2.361 0.016 622 HD1 TYR 82 1HD TYR 82 5.306 -0.851 -1.557 623 HD2 TYR 82 2HD TYR 82 6.037 2.231 1.319 624 HE1 TYR 82 1HE TYR 82 7.445 -2.021 -0.837 625 HE2 TYR 82 2HE TYR 82 8.174 1.051 2.029 626 HH TYR 82 HH TYR 82 9.032 -1.289 1.996 627 H VAL 83 H VAL 83 2.199 2.472 1.127 628 HA VAL 83 HA VAL 83 0.202 3.465 -0.724 629 HB VAL 83 HB VAL 83 -1.015 1.742 0.425 630 HG11 VAL 83 1HG1 VAL 83 0.662 2.311 2.592 631 HG12 VAL 83 2HG1 VAL 83 -0.961 2.802 3.134 632 HG13 VAL 83 3HG1 VAL 83 -0.680 1.143 2.553 633 HG21 VAL 83 1HG2 VAL 83 -1.777 4.398 1.676 634 HG22 VAL 83 2HG2 VAL 83 -2.106 3.962 -0.018 635 HG23 VAL 83 3HG2 VAL 83 -2.846 3.025 1.302 636 H TYR 84 H TYR 84 0.365 5.646 -0.740 637 HA TYR 84 HA TYR 84 1.534 6.891 1.656 638 HB2 TYR 84 1HB TYR 84 1.509 7.482 -1.362 639 HB3 TYR 84 2HB TYR 84 2.044 8.689 -0.209 640 HD1 TYR 84 2HD TYR 84 2.680 4.997 -0.528 641 HD2 TYR 84 1HD TYR 84 4.346 8.932 -0.306 642 HE1 TYR 84 2HE TYR 84 5.025 4.015 -0.579 643 HE2 TYR 84 1HE TYR 84 6.685 7.937 -0.357 644 HH TYR 84 HH TYR 84 7.847 6.064 -0.117 645 H ARG 85 H ARG 85 0.923 9.410 1.628 646 HA ARG 85 HA ARG 85 -1.968 9.391 1.545 647 HB2 ARG 85 1HB ARG 85 -1.143 10.053 3.702 648 HB3 ARG 85 2HB ARG 85 0.094 11.084 3.010 649 HG2 ARG 85 1HG ARG 85 -1.315 12.862 2.975 650 HG3 ARG 85 2HG ARG 85 -2.509 11.962 2.060 651 HD2 ARG 85 1HD ARG 85 -3.788 11.564 3.912 652 HD3 ARG 85 2HD ARG 85 -2.404 11.079 4.871 653 HE ARG 85 HE ARG 85 -3.659 13.670 4.900 654 HH11 ARG 85 2HH2 ARG 85 -0.485 12.161 5.075 655 HH12 ARG 85 1HH2 ARG 85 0.220 13.453 5.987 656 HH21 ARG 85 2HH1 ARG 85 -2.729 15.375 6.104 657 HH22 ARG 85 1HH1 ARG 85 -1.065 15.294 6.576 658 H LYS 86 H LYS 86 -3.132 10.764 0.170 659 HA LYS 86 HA LYS 86 -1.512 12.328 -1.684 660 HB2 LYS 86 1HB LYS 86 -4.278 11.135 -1.791 661 HB3 LYS 86 2HB LYS 86 -3.808 12.408 -2.898 662 HG2 LYS 86 1HG LYS 86 -1.677 10.915 -3.340 663 HG3 LYS 86 2HG LYS 86 -2.620 9.630 -2.613 664 HD2 LYS 86 1HD LYS 86 -3.364 9.319 -4.765 665 HD3 LYS 86 2HD LYS 86 -4.488 10.596 -4.345 666 HE2 LYS 86 1HE LYS 86 -3.194 12.274 -5.455 667 HE3 LYS 86 2HE LYS 86 -1.753 11.276 -5.482 668 HZ1 LYS 86 1HZ LYS 86 -3.783 11.416 -7.378 669 HZ2 LYS 86 2HZ LYS 86 -2.394 10.560 -7.444 670 HZ3 LYS 86 3HZ LYS 86 -3.738 9.888 -6.803 671 H ASP 87 H ASP 87 -1.155 14.405 -1.120 672 HA ASP 87 HA ASP 87 -3.052 16.267 -0.955 673 HB2 ASP 87 1HB ASP 87 -2.914 14.754 1.553 674 HB3 ASP 87 2HB ASP 87 -2.525 16.440 1.831 675 H LEU 88 H LEU 88 -2.076 18.161 0.878 676 HA LEU 88 HA LEU 88 -0.418 19.574 1.232 677 HB2 LEU 88 1HB LEU 88 0.890 16.929 1.548 678 HB3 LEU 88 2HB LEU 88 1.947 18.318 1.395 679 HG LEU 88 HG LEU 88 -0.229 17.969 3.476 680 HD11 LEU 88 1HD1 LEU 88 2.521 17.084 3.367 681 HD12 LEU 88 2HD1 LEU 88 2.276 18.230 4.707 682 HD13 LEU 88 3HD1 LEU 88 1.268 16.767 4.591 683 HD21 LEU 88 1HD2 LEU 88 1.605 20.264 2.834 684 HD22 LEU 88 2HD2 LEU 88 -0.140 20.268 3.181 685 HD23 LEU 88 3HD2 LEU 88 1.028 19.993 4.496 686 H ALA 89 H ALA 89 1.996 17.616 -0.433 687 HA ALA 89 HA ALA 89 1.854 19.531 -2.656 688 HB1 ALA 89 1HB ALA 89 3.922 19.147 -0.982 689 HB2 ALA 89 2HB ALA 89 4.277 17.849 -2.147 690 HB3 ALA 89 3HB ALA 89 4.153 19.535 -2.704 691 H ASP 90 H ASP 90 2.592 18.595 -4.817 692 HA ASP 90 HA ASP 90 0.920 16.656 -5.616 693 HB2 ASP 90 1HB ASP 90 3.406 17.894 -6.640 694 HB3 ASP 90 2HB ASP 90 3.145 16.283 -7.279 695 H THR 91 H THR 91 3.944 16.378 -3.837 696 HA THR 91 HA THR 91 4.682 13.764 -4.568 697 HB THR 91 HB THR 91 5.162 15.170 -1.897 698 HG1 THR 91 1HG THR 91 6.303 15.430 -4.588 699 HG21 THR 91 1HG2 THR 91 6.536 13.045 -3.555 700 HG22 THR 91 2HG2 THR 91 7.550 14.188 -2.641 701 HG23 THR 91 3HG2 THR 91 6.376 13.159 -1.786 702 H LEU 92 H LEU 92 4.842 12.055 -2.593 703 HA LEU 92 HA LEU 92 2.066 11.747 -1.680 704 HB2 LEU 92 1HB LEU 92 3.867 9.951 -3.148 705 HB3 LEU 92 2HB LEU 92 3.103 9.211 -1.755 706 HG LEU 92 HG LEU 92 1.780 10.415 -4.188 707 HD11 LEU 92 1HD1 LEU 92 1.956 8.286 -4.841 708 HD12 LEU 92 2HD1 LEU 92 2.345 7.714 -3.201 709 HD13 LEU 92 3HD1 LEU 92 0.648 7.959 -3.678 710 HD21 LEU 92 1HD2 LEU 92 0.700 10.121 -1.447 711 HD22 LEU 92 2HD2 LEU 92 0.211 11.202 -2.773 712 HD23 LEU 92 3HD2 LEU 92 -0.329 9.506 -2.763 713 H ASN 93 H ASN 93 5.565 11.357 -0.999 714 HA ASN 93 HA ASN 93 6.674 11.271 0.862 715 HB2 ASN 93 1HB ASN 93 4.219 11.915 2.536 716 HB3 ASN 93 2HB ASN 93 5.877 12.416 2.804 717 HD21 ASN 93 1HD2 ASN 93 2.871 13.227 1.536 718 HD22 ASN 93 2HD2 ASN 93 3.282 14.677 0.681 719 HA PRO 94 HA PRO 94 5.525 7.249 2.258 720 HB2 PRO 94 1HB PRO 94 7.801 6.627 3.637 721 HB3 PRO 94 2HB PRO 94 7.648 6.430 1.903 722 HG2 PRO 94 1HG PRO 94 9.111 8.510 3.409 723 HG3 PRO 94 2HG PRO 94 9.286 8.043 1.729 724 HD2 PRO 94 1HD PRO 94 7.943 10.370 2.733 725 HD3 PRO 94 2HD PRO 94 8.018 9.842 1.064 726 H PHE 95 H PHE 95 4.038 9.006 3.513 727 HA PHE 95 HA PHE 95 3.232 9.669 5.488 728 HB2 PHE 95 1HB PHE 95 3.300 6.787 5.120 729 HB3 PHE 95 2HB PHE 95 3.544 7.087 6.829 730 HD1 PHE 95 2HD PHE 95 1.853 9.403 7.354 731 HD2 PHE 95 1HD PHE 95 1.127 6.039 4.870 732 HE1 PHE 95 2HE PHE 95 -0.620 9.717 7.652 733 HE2 PHE 95 1HE PHE 95 -1.346 6.353 5.168 734 HZ PHE 95 HZ PHE 95 -2.189 8.188 6.555 735 H ALA 96 H ALA 96 3.595 8.520 8.140 736 HA ALA 96 HA ALA 96 4.788 9.037 9.944 737 HB1 ALA 96 1HB ALA 96 7.418 8.295 9.022 738 HB2 ALA 96 2HB ALA 96 6.307 7.389 10.077 739 HB3 ALA 96 3HB ALA 96 6.217 7.191 8.310 740 H GLU 97 H GLU 97 4.518 11.329 9.891 741 HA GLU 97 HA GLU 97 6.600 12.796 8.529 742 HB2 GLU 97 1HB GLU 97 4.091 13.398 8.441 743 HB3 GLU 97 2HB GLU 97 4.260 13.947 10.097 744 HG2 GLU 97 1HG GLU 97 6.324 15.322 9.138 745 HG3 GLU 97 2HG GLU 97 5.538 15.072 7.591 746 H ASN 98 H ASN 98 8.263 13.884 9.574 747 HA ASN 98 HA ASN 98 8.989 13.074 12.077 748 HB2 ASN 98 1HB ASN 98 10.198 14.495 10.084 749 HB3 ASN 98 2HB ASN 98 9.845 15.821 11.173 750 HD21 ASN 98 1HD2 ASN 98 11.668 16.323 12.135 751 HD22 ASN 98 2HD2 ASN 98 12.741 15.245 12.963 752 H SER 99 H SER 99 9.217 14.489 14.101 753 HA SER 99 HA SER 99 6.851 16.166 14.331 754 HB2 SER 99 1HB SER 99 8.303 14.321 16.179 755 HB3 SER 99 2HB SER 99 7.671 15.780 16.915 756 HG SER 99 HG SER 99 5.676 15.012 16.758 757 H GLY 100 H GLY 100 7.137 18.040 16.013 758 HA2 GLY 100 1HA GLY 100 9.254 19.209 17.005 759 HA3 GLY 100 2HA GLY 100 9.605 19.453 15.306 760 HA PRO 101 HA PRO 101 6.499 22.556 16.902 761 HB2 PRO 101 1HB PRO 101 8.065 24.600 17.818 762 HB3 PRO 101 2HB PRO 101 7.332 23.408 18.873 763 HG2 PRO 101 1HG PRO 101 10.152 23.643 18.019 764 HG3 PRO 101 2HG PRO 101 9.485 22.751 19.372 765 HD2 PRO 101 1HD PRO 101 10.374 21.665 16.870 766 HD3 PRO 101 2HD PRO 101 9.601 20.790 18.177 767 H SER 102 H SER 102 6.950 21.976 14.397 768 HA SER 102 HA SER 102 8.259 24.109 13.092 769 HB2 SER 102 1HB SER 102 7.916 21.681 12.267 770 HB3 SER 102 2HB SER 102 6.285 22.160 11.842 771 HG SER 102 HG SER 102 7.112 23.719 10.380 772 H SER 103 H SER 103 7.382 26.158 13.219 773 HA SER 103 HA SER 103 4.786 26.517 12.117 774 HB2 SER 103 1HB SER 103 4.664 26.064 14.764 775 HB3 SER 103 2HB SER 103 5.099 27.760 14.843 776 HG SER 103 HG SER 103 2.950 27.979 14.670 777 H GLY 104 H GLY 104 4.293 28.955 11.925 778 HA2 GLY 104 1HA GLY 104 6.674 30.304 11.079 779 HA3 GLY 104 2HA GLY 104 5.025 30.894 11.013 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.648 -5.528 -12.973 2 HA2 GLY 1 1HA GLY 1 -15.085 -6.572 -13.668 3 HA3 GLY 1 2HA GLY 1 -13.533 -7.231 -14.148 4 H SER 2 H SER 2 -15.523 -9.055 -13.890 5 HA SER 2 HA SER 2 -15.102 -10.186 -11.237 6 HB2 SER 2 1HB SER 2 -17.490 -9.635 -12.123 7 HB3 SER 2 2HB SER 2 -17.283 -11.015 -13.183 8 HG SER 2 HG SER 2 -17.562 -12.367 -11.532 9 H SER 3 H SER 3 -14.537 -12.457 -11.072 10 HA SER 3 HA SER 3 -14.337 -14.111 -13.279 11 HB2 SER 3 1HB SER 3 -11.984 -12.363 -12.767 12 HB3 SER 3 2HB SER 3 -11.599 -14.065 -12.930 13 HG SER 3 HG SER 3 -11.741 -12.580 -14.944 14 H GLY 4 H GLY 4 -14.878 -15.932 -12.123 15 HA2 GLY 4 1HA GLY 4 -13.573 -16.341 -9.509 16 HA3 GLY 4 2HA GLY 4 -15.103 -17.024 -10.024 17 H SER 5 H SER 5 -12.764 -18.478 -8.983 18 HA SER 5 HA SER 5 -12.738 -20.528 -10.865 19 HB2 SER 5 1HB SER 5 -10.467 -18.588 -10.953 20 HB3 SER 5 2HB SER 5 -10.013 -20.281 -10.949 21 HG SER 5 HG SER 5 -12.120 -19.563 -12.708 22 H SER 6 H SER 6 -11.162 -22.347 -10.100 23 HA SER 6 HA SER 6 -11.562 -22.705 -7.387 24 HB2 SER 6 1HB SER 6 -10.141 -24.131 -9.588 25 HB3 SER 6 2HB SER 6 -9.572 -24.509 -7.975 26 HG SER 6 HG SER 6 -11.930 -25.253 -9.230 27 H GLY 7 H GLY 7 -9.997 -22.823 -5.610 28 HA2 GLY 7 1HA GLY 7 -8.063 -22.328 -4.515 29 HA3 GLY 7 2HA GLY 7 -7.319 -21.832 -6.022 30 H GLU 8 H GLU 8 -7.753 -19.660 -6.887 31 HA GLU 8 HA GLU 8 -7.646 -17.498 -6.515 32 HB2 GLU 8 1HB GLU 8 -9.852 -16.484 -5.870 33 HB3 GLU 8 2HB GLU 8 -9.991 -17.724 -7.101 34 HG2 GLU 8 1HG GLU 8 -10.668 -19.390 -5.402 35 HG3 GLU 8 2HG GLU 8 -10.422 -18.223 -4.118 36 H GLU 9 H GLU 9 -6.051 -18.531 -4.622 37 HA GLU 9 HA GLU 9 -6.884 -17.130 -2.200 38 HB2 GLU 9 1HB GLU 9 -5.510 -18.757 -0.917 39 HB3 GLU 9 2HB GLU 9 -6.802 -19.547 -1.798 40 HG2 GLU 9 1HG GLU 9 -5.229 -20.904 -2.713 41 HG3 GLU 9 2HG GLU 9 -4.678 -19.524 -3.641 42 H ILE 10 H ILE 10 -5.819 -15.183 -2.240 43 HA ILE 10 HA ILE 10 -2.955 -15.241 -2.224 44 HB ILE 10 HB ILE 10 -3.915 -15.127 -4.698 45 HG12 ILE 10 1HG1 ILE 10 -1.765 -13.258 -4.680 46 HG13 ILE 10 2HG1 ILE 10 -1.486 -14.381 -3.365 47 HG21 ILE 10 1HG2 ILE 10 -5.092 -12.879 -3.784 48 HG22 ILE 10 2HG2 ILE 10 -3.556 -12.204 -4.379 49 HG23 ILE 10 3HG2 ILE 10 -4.607 -13.127 -5.479 50 HD11 ILE 10 1HD1 ILE 10 -1.421 -16.260 -4.793 51 HD12 ILE 10 2HD1 ILE 10 -2.331 -15.432 -6.079 52 HD13 ILE 10 3HD1 ILE 10 -0.632 -14.999 -5.772 53 H PHE 11 H PHE 11 -2.069 -13.060 -1.639 54 HA PHE 11 HA PHE 11 -4.142 -11.379 -0.427 55 HB2 PHE 11 1HB PHE 11 -1.946 -12.976 0.746 56 HB3 PHE 11 2HB PHE 11 -1.732 -11.279 1.127 57 HD1 PHE 11 2HD PHE 11 -3.887 -14.206 1.587 58 HD2 PHE 11 1HD PHE 11 -3.280 -10.126 2.587 59 HE1 PHE 11 2HE PHE 11 -5.559 -14.413 3.448 60 HE2 PHE 11 1HE PHE 11 -4.952 -10.334 4.447 61 HZ PHE 11 HZ PHE 11 -6.071 -12.475 4.856 62 H CYS 12 H CYS 12 -3.317 -9.137 0.105 63 HA CYS 12 HA CYS 12 -1.196 -8.400 -1.779 64 HB2 CYS 12 1HB CYS 12 -3.145 -7.569 -2.797 65 HB3 CYS 12 2HB CYS 12 -3.866 -7.091 -1.272 66 HG CYS 12 HG CYS 12 -1.351 -5.810 -2.974 67 H HIS 13 H HIS 13 0.507 -8.245 -0.281 68 HA HIS 13 HA HIS 13 0.010 -6.964 2.248 69 HB2 HIS 13 1HB HIS 13 2.260 -8.475 0.986 70 HB3 HIS 13 2HB HIS 13 2.649 -7.363 2.283 71 HD1 HIS 13 1HD HIS 13 1.881 -10.795 1.799 72 HD2 HIS 13 2HD HIS 13 0.722 -7.935 4.640 73 HE1 HIS 13 1HE HIS 13 1.058 -12.099 3.831 74 H VAL 14 H VAL 14 -0.131 -4.778 2.328 75 HA VAL 14 HA VAL 14 1.603 -3.275 0.497 76 HB VAL 14 HB VAL 14 0.010 -1.575 0.486 77 HG11 VAL 14 1HG1 VAL 14 -1.392 -4.261 0.514 78 HG12 VAL 14 2HG1 VAL 14 -2.187 -2.751 0.008 79 HG13 VAL 14 3HG1 VAL 14 -0.772 -3.356 -0.888 80 HG21 VAL 14 1HG2 VAL 14 -1.455 -2.902 2.790 81 HG22 VAL 14 2HG2 VAL 14 -0.346 -1.519 2.952 82 HG23 VAL 14 3HG2 VAL 14 -1.851 -1.348 2.017 83 H TYR 15 H TYR 15 3.240 -2.068 1.336 84 HA TYR 15 HA TYR 15 3.431 -2.001 4.250 85 HB2 TYR 15 1HB TYR 15 5.254 -1.620 1.812 86 HB3 TYR 15 2HB TYR 15 5.808 -1.121 3.398 87 HD1 TYR 15 1HD TYR 15 3.678 -4.102 2.878 88 HD2 TYR 15 2HD TYR 15 7.658 -2.662 3.502 89 HE1 TYR 15 1HE TYR 15 4.468 -6.471 3.351 90 HE2 TYR 15 2HE TYR 15 8.435 -5.037 3.974 91 HH TYR 15 HH TYR 15 7.112 -7.575 3.074 92 H ILE 16 H ILE 16 2.859 -0.192 5.339 93 HA ILE 16 HA ILE 16 2.252 2.193 3.916 94 HB ILE 16 HB ILE 16 2.461 1.737 6.893 95 HG12 ILE 16 1HG1 ILE 16 -0.113 1.557 5.357 96 HG13 ILE 16 2HG1 ILE 16 0.945 0.161 5.425 97 HG21 ILE 16 1HG2 ILE 16 0.713 3.719 5.431 98 HG22 ILE 16 2HG2 ILE 16 1.112 3.647 7.164 99 HG23 ILE 16 3HG2 ILE 16 2.359 4.114 5.983 100 HD11 ILE 16 1HD1 ILE 16 -0.304 1.649 7.772 101 HD12 ILE 16 2HD1 ILE 16 -0.573 -0.042 7.285 102 HD13 ILE 16 3HD1 ILE 16 0.994 0.447 7.973 103 H THR 17 H THR 17 4.717 1.386 6.467 104 HA THR 17 HA THR 17 6.345 3.573 5.347 105 HB THR 17 HB THR 17 7.029 4.070 7.576 106 HG1 THR 17 1HG THR 17 7.199 2.360 9.010 107 HG21 THR 17 1HG2 THR 17 4.275 3.951 7.126 108 HG22 THR 17 2HG2 THR 17 4.470 2.958 8.590 109 HG23 THR 17 3HG2 THR 17 5.039 4.644 8.577 110 H GLU 18 H GLU 18 8.429 2.355 7.377 111 HA GLU 18 HA GLU 18 9.570 0.685 5.330 112 HB2 GLU 18 1HB GLU 18 11.645 0.867 6.647 113 HB3 GLU 18 2HB GLU 18 10.953 2.452 6.370 114 HG2 GLU 18 1HG GLU 18 9.719 1.804 8.735 115 HG3 GLU 18 2HG GLU 18 11.218 0.915 8.922 116 H HIS 19 H HIS 19 8.253 0.502 8.647 117 HA HIS 19 HA HIS 19 8.517 -2.406 8.448 118 HB2 HIS 19 1HB HIS 19 8.724 -0.905 11.060 119 HB3 HIS 19 2HB HIS 19 9.076 -2.593 10.747 120 HD1 HIS 19 1HD HIS 19 11.006 -0.120 11.839 121 HD2 HIS 19 2HD HIS 19 11.146 -2.137 8.163 122 HE1 HIS 19 1HE HIS 19 13.381 0.170 10.954 123 H SER 20 H SER 20 6.326 -0.769 7.525 124 HA SER 20 HA SER 20 4.322 -1.789 9.354 125 HB2 SER 20 1HB SER 20 3.817 0.896 8.088 126 HB3 SER 20 2HB SER 20 3.155 0.226 9.566 127 HG SER 20 HG SER 20 4.615 1.552 10.453 128 H TYR 21 H TYR 21 2.575 -2.737 8.274 129 HA TYR 21 HA TYR 21 1.967 -2.017 5.570 130 HB2 TYR 21 1HB TYR 21 2.683 -4.138 4.602 131 HB3 TYR 21 2HB TYR 21 4.039 -3.621 5.584 132 HD1 TYR 21 1HD TYR 21 4.553 -4.749 7.720 133 HD2 TYR 21 2HD TYR 21 1.349 -6.077 5.214 134 HE1 TYR 21 1HE TYR 21 4.464 -6.951 8.988 135 HE2 TYR 21 2HE TYR 21 1.271 -8.275 6.490 136 HH TYR 21 HH TYR 21 3.125 -8.731 9.408 137 H VAL 22 H VAL 22 0.225 -3.662 4.691 138 HA VAL 22 HA VAL 22 -1.257 -4.924 6.834 139 HB VAL 22 HB VAL 22 -2.133 -2.743 7.039 140 HG11 VAL 22 1HG1 VAL 22 -1.209 -2.112 4.662 141 HG12 VAL 22 2HG1 VAL 22 -2.858 -2.519 4.131 142 HG13 VAL 22 3HG1 VAL 22 -2.604 -1.241 5.344 143 HG21 VAL 22 1HG2 VAL 22 -3.838 -4.704 5.552 144 HG22 VAL 22 2HG2 VAL 22 -3.985 -4.088 7.216 145 HG23 VAL 22 3HG2 VAL 22 -4.482 -3.070 5.843 146 H SER 23 H SER 23 -1.921 -6.870 6.091 147 HA SER 23 HA SER 23 -1.693 -7.353 3.287 148 HB2 SER 23 1HB SER 23 -1.650 -9.602 3.845 149 HB3 SER 23 2HB SER 23 -1.105 -8.912 5.361 150 HG SER 23 HG SER 23 -2.900 -9.572 6.341 151 H VAL 24 H VAL 24 -3.448 -8.174 1.924 152 HA VAL 24 HA VAL 24 -6.127 -7.851 3.027 153 HB VAL 24 HB VAL 24 -5.056 -6.425 0.585 154 HG11 VAL 24 1HG1 VAL 24 -7.572 -7.499 0.806 155 HG12 VAL 24 2HG1 VAL 24 -7.817 -5.856 1.444 156 HG13 VAL 24 3HG1 VAL 24 -7.144 -6.086 -0.187 157 HG21 VAL 24 1HG2 VAL 24 -6.215 -4.496 2.056 158 HG22 VAL 24 2HG2 VAL 24 -5.727 -5.597 3.367 159 HG23 VAL 24 3HG2 VAL 24 -4.506 -4.959 2.240 160 H LYS 25 H LYS 25 -7.438 -9.504 2.399 161 HA LYS 25 HA LYS 25 -6.313 -11.431 0.571 162 HB2 LYS 25 1HB LYS 25 -7.287 -12.224 2.639 163 HB3 LYS 25 2HB LYS 25 -8.808 -11.427 2.291 164 HG2 LYS 25 1HG LYS 25 -9.224 -13.649 1.612 165 HG3 LYS 25 2HG LYS 25 -8.838 -12.853 0.099 166 HD2 LYS 25 1HD LYS 25 -7.097 -14.265 -0.230 167 HD3 LYS 25 2HD LYS 25 -6.353 -13.728 1.263 168 HE2 LYS 25 1HE LYS 25 -7.369 -15.452 2.548 169 HE3 LYS 25 2HE LYS 25 -8.632 -15.727 1.365 170 HZ1 LYS 25 1HZ LYS 25 -6.608 -17.294 1.509 171 HZ2 LYS 25 2HZ LYS 25 -7.233 -16.915 0.050 172 HZ3 LYS 25 3HZ LYS 25 -5.873 -16.177 0.572 173 H ALA 26 H ALA 26 -6.389 -10.732 -1.537 174 HA ALA 26 HA ALA 26 -9.042 -9.893 -2.489 175 HB1 ALA 26 1HB ALA 26 -8.063 -8.201 -3.628 176 HB2 ALA 26 2HB ALA 26 -6.667 -8.471 -2.557 177 HB3 ALA 26 3HB ALA 26 -6.713 -9.228 -4.167 178 H LYS 27 H LYS 27 -8.957 -10.274 -5.120 179 HA LYS 27 HA LYS 27 -8.657 -13.145 -5.314 180 HB2 LYS 27 1HB LYS 27 -9.773 -11.209 -7.359 181 HB3 LYS 27 2HB LYS 27 -9.975 -12.949 -7.320 182 HG2 LYS 27 1HG LYS 27 -10.797 -11.614 -4.800 183 HG3 LYS 27 2HG LYS 27 -11.725 -11.097 -6.194 184 HD2 LYS 27 1HD LYS 27 -11.287 -14.034 -6.074 185 HD3 LYS 27 2HD LYS 27 -12.204 -13.403 -4.720 186 HE2 LYS 27 1HE LYS 27 -12.868 -12.820 -7.646 187 HE3 LYS 27 2HE LYS 27 -13.629 -14.088 -6.705 188 HZ1 LYS 27 1HZ LYS 27 -14.177 -11.341 -6.700 189 HZ2 LYS 27 2HZ LYS 27 -15.012 -12.552 -5.990 190 HZ3 LYS 27 3HZ LYS 27 -13.795 -11.819 -5.186 191 H VAL 28 H VAL 28 -7.882 -13.861 -7.695 192 HA VAL 28 HA VAL 28 -5.142 -13.061 -7.777 193 HB VAL 28 HB VAL 28 -4.935 -14.766 -9.458 194 HG11 VAL 28 1HG1 VAL 28 -6.675 -15.446 -7.086 195 HG12 VAL 28 2HG1 VAL 28 -6.105 -16.701 -8.212 196 HG13 VAL 28 3HG1 VAL 28 -4.930 -15.713 -7.312 197 HG21 VAL 28 1HG2 VAL 28 -7.949 -15.091 -9.436 198 HG22 VAL 28 2HG2 VAL 28 -7.066 -14.161 -10.671 199 HG23 VAL 28 3HG2 VAL 28 -6.767 -15.906 -10.488 200 H SER 29 H SER 29 -8.060 -11.812 -9.057 201 HA SER 29 HA SER 29 -6.488 -10.345 -11.021 202 HB2 SER 29 1HB SER 29 -9.404 -10.869 -11.556 203 HB3 SER 29 2HB SER 29 -8.103 -10.584 -12.695 204 HG SER 29 HG SER 29 -8.777 -12.808 -12.729 205 H SER 30 H SER 30 -7.274 -9.801 -8.171 206 HA SER 30 HA SER 30 -9.399 -7.920 -8.336 207 HB2 SER 30 1HB SER 30 -9.399 -8.705 -6.189 208 HB3 SER 30 2HB SER 30 -7.698 -9.124 -6.233 209 HG SER 30 HG SER 30 -7.156 -7.210 -5.388 210 H ILE 31 H ILE 31 -9.190 -5.586 -7.985 211 HA ILE 31 HA ILE 31 -6.714 -4.580 -9.114 212 HB ILE 31 HB ILE 31 -8.049 -2.425 -9.137 213 HG12 ILE 31 1HG1 ILE 31 -10.419 -4.237 -8.644 214 HG13 ILE 31 2HG1 ILE 31 -9.685 -3.280 -7.373 215 HG21 ILE 31 1HG2 ILE 31 -8.880 -2.913 -11.223 216 HG22 ILE 31 2HG2 ILE 31 -7.718 -4.243 -10.999 217 HG23 ILE 31 3HG2 ILE 31 -9.456 -4.527 -10.742 218 HD11 ILE 31 1HD1 ILE 31 -11.391 -2.417 -9.636 219 HD12 ILE 31 2HD1 ILE 31 -11.114 -1.638 -8.059 220 HD13 ILE 31 3HD1 ILE 31 -9.954 -1.396 -9.388 221 H ALA 32 H ALA 32 -5.827 -2.476 -8.130 222 HA ALA 32 HA ALA 32 -5.030 -3.021 -5.508 223 HB1 ALA 32 1HB ALA 32 -3.961 -1.593 -7.429 224 HB2 ALA 32 2HB ALA 32 -4.937 -0.269 -6.749 225 HB3 ALA 32 3HB ALA 32 -3.725 -1.091 -5.737 226 H GLN 33 H GLN 33 -7.537 -0.830 -6.900 227 HA GLN 33 HA GLN 33 -8.179 0.577 -4.691 228 HB2 GLN 33 1HB GLN 33 -9.213 1.062 -6.819 229 HB3 GLN 33 2HB GLN 33 -9.948 -0.527 -6.907 230 HG2 GLN 33 1HG GLN 33 -11.788 0.594 -6.095 231 HG3 GLN 33 2HG GLN 33 -11.024 0.282 -4.549 232 HE21 GLN 33 1HE2 GLN 33 -9.344 1.924 -3.881 233 HE22 GLN 33 2HE2 GLN 33 -9.728 3.599 -4.105 234 H GLU 34 H GLU 34 -9.205 -2.765 -5.572 235 HA GLU 34 HA GLU 34 -11.058 -3.077 -3.557 236 HB2 GLU 34 1HB GLU 34 -9.300 -5.048 -5.059 237 HB3 GLU 34 2HB GLU 34 -10.467 -5.587 -3.868 238 HG2 GLU 34 1HG GLU 34 -11.683 -3.647 -5.698 239 HG3 GLU 34 2HG GLU 34 -10.966 -4.973 -6.593 240 H ILE 35 H ILE 35 -7.644 -2.676 -3.376 241 HA ILE 35 HA ILE 35 -7.523 -4.046 -0.793 242 HB ILE 35 HB ILE 35 -5.202 -2.866 -2.294 243 HG12 ILE 35 1HG1 ILE 35 -6.341 -4.288 -3.899 244 HG13 ILE 35 2HG1 ILE 35 -4.848 -5.038 -3.371 245 HG21 ILE 35 1HG2 ILE 35 -4.085 -3.610 -0.529 246 HG22 ILE 35 2HG2 ILE 35 -5.561 -4.330 0.158 247 HG23 ILE 35 3HG2 ILE 35 -4.554 -5.269 -0.970 248 HD11 ILE 35 1HD1 ILE 35 -6.020 -6.568 -1.905 249 HD12 ILE 35 2HD1 ILE 35 -7.549 -5.680 -2.110 250 HD13 ILE 35 3HD1 ILE 35 -6.863 -6.597 -3.472 251 H LEU 36 H LEU 36 -6.638 -0.907 -2.392 252 HA LEU 36 HA LEU 36 -5.935 0.463 -0.128 253 HB2 LEU 36 1HB LEU 36 -5.667 1.190 -2.481 254 HB3 LEU 36 2HB LEU 36 -7.382 1.540 -2.552 255 HG LEU 36 HG LEU 36 -6.958 3.135 -0.567 256 HD11 LEU 36 1HD1 LEU 36 -4.912 3.377 0.251 257 HD12 LEU 36 2HD1 LEU 36 -4.360 2.062 -0.814 258 HD13 LEU 36 3HD1 LEU 36 -4.265 3.752 -1.365 259 HD21 LEU 36 1HD2 LEU 36 -6.201 3.545 -3.434 260 HD22 LEU 36 2HD2 LEU 36 -7.560 4.215 -2.498 261 HD23 LEU 36 3HD2 LEU 36 -5.916 4.855 -2.263 262 H LYS 37 H LYS 37 -9.205 -0.182 -1.487 263 HA LYS 37 HA LYS 37 -10.587 1.481 0.285 264 HB2 LYS 37 1HB LYS 37 -12.560 0.218 -0.420 265 HB3 LYS 37 2HB LYS 37 -11.557 0.655 -1.788 266 HG2 LYS 37 1HG LYS 37 -11.539 -1.536 -2.376 267 HG3 LYS 37 2HG LYS 37 -10.531 -1.843 -0.976 268 HD2 LYS 37 1HD LYS 37 -12.498 -2.283 0.424 269 HD3 LYS 37 2HD LYS 37 -13.581 -1.779 -0.857 270 HE2 LYS 37 1HE LYS 37 -12.493 -3.672 -2.286 271 HE3 LYS 37 2HE LYS 37 -11.814 -4.257 -0.780 272 HZ1 LYS 37 1HZ LYS 37 -13.820 -4.891 -0.048 273 HZ2 LYS 37 2HZ LYS 37 -14.632 -3.659 -0.748 274 HZ3 LYS 37 3HZ LYS 37 -14.187 -4.953 -1.639 275 H VAL 38 H VAL 38 -9.155 -1.745 0.607 276 HA VAL 38 HA VAL 38 -10.584 -2.257 3.063 277 HB VAL 38 HB VAL 38 -8.285 -3.780 1.833 278 HG11 VAL 38 1HG1 VAL 38 -8.598 -4.630 3.978 279 HG12 VAL 38 2HG1 VAL 38 -10.359 -4.373 3.937 280 HG13 VAL 38 3HG1 VAL 38 -9.629 -5.691 2.989 281 HG21 VAL 38 1HG2 VAL 38 -9.749 -5.000 0.478 282 HG22 VAL 38 2HG2 VAL 38 -11.190 -4.449 1.367 283 HG23 VAL 38 3HG2 VAL 38 -10.321 -3.324 0.295 284 H VAL 39 H VAL 39 -7.183 -1.588 1.993 285 HA VAL 39 HA VAL 39 -6.030 -1.619 4.498 286 HB VAL 39 HB VAL 39 -5.363 0.047 2.063 287 HG11 VAL 39 1HG1 VAL 39 -3.001 -0.560 3.414 288 HG12 VAL 39 2HG1 VAL 39 -3.821 1.019 3.362 289 HG13 VAL 39 3HG1 VAL 39 -4.137 -0.105 4.706 290 HG21 VAL 39 1HG2 VAL 39 -4.438 -2.709 2.940 291 HG22 VAL 39 2HG2 VAL 39 -5.431 -2.311 1.517 292 HG23 VAL 39 3HG2 VAL 39 -3.734 -1.780 1.594 293 H ALA 40 H ALA 40 -7.465 1.167 2.665 294 HA ALA 40 HA ALA 40 -6.984 3.209 4.321 295 HB1 ALA 40 1HB ALA 40 -9.341 2.404 2.641 296 HB2 ALA 40 2HB ALA 40 -9.495 3.835 3.689 297 HB3 ALA 40 3HB ALA 40 -8.220 3.773 2.448 298 H GLU 41 H GLU 41 -9.508 0.661 4.787 299 HA GLU 41 HA GLU 41 -10.450 1.833 7.164 300 HB2 GLU 41 1HB GLU 41 -10.759 -1.090 6.393 301 HB3 GLU 41 2HB GLU 41 -11.853 -0.107 7.345 302 HG2 GLU 41 1HG GLU 41 -11.571 1.280 4.881 303 HG3 GLU 41 2HG GLU 41 -11.703 -0.410 4.439 304 H LYS 42 H LYS 42 -8.046 -0.710 6.348 305 HA LYS 42 HA LYS 42 -7.662 -1.617 8.974 306 HB2 LYS 42 1HB LYS 42 -6.530 -2.052 6.337 307 HB3 LYS 42 2HB LYS 42 -5.267 -1.991 7.550 308 HG2 LYS 42 1HG LYS 42 -6.161 -4.300 7.272 309 HG3 LYS 42 2HG LYS 42 -6.408 -3.706 8.901 310 HD2 LYS 42 1HD LYS 42 -8.491 -4.708 8.273 311 HD3 LYS 42 2HD LYS 42 -8.761 -2.979 8.169 312 HE2 LYS 42 1HE LYS 42 -7.979 -3.321 5.633 313 HE3 LYS 42 2HE LYS 42 -8.442 -4.985 5.928 314 HZ1 LYS 42 1HZ LYS 42 -10.567 -4.426 5.899 315 HZ2 LYS 42 2HZ LYS 42 -10.371 -3.135 6.880 316 HZ3 LYS 42 3HZ LYS 42 -10.116 -2.986 5.274 317 H ILE 43 H ILE 43 -6.829 1.343 7.366 318 HA ILE 43 HA ILE 43 -4.968 1.950 9.559 319 HB ILE 43 HB ILE 43 -3.574 3.054 8.167 320 HG12 ILE 43 1HG1 ILE 43 -5.830 3.523 6.194 321 HG13 ILE 43 2HG1 ILE 43 -5.292 4.669 7.406 322 HG21 ILE 43 1HG2 ILE 43 -4.618 1.450 5.885 323 HG22 ILE 43 2HG2 ILE 43 -2.965 1.602 6.528 324 HG23 ILE 43 3HG2 ILE 43 -4.156 0.578 7.366 325 HD11 ILE 43 1HD1 ILE 43 -3.996 5.410 5.643 326 HD12 ILE 43 2HD1 ILE 43 -2.892 4.160 6.264 327 HD13 ILE 43 3HD1 ILE 43 -3.943 3.807 4.872 328 H GLN 44 H GLN 44 -8.095 2.287 8.573 329 HA GLN 44 HA GLN 44 -9.696 3.711 8.931 330 HB2 GLN 44 1HB GLN 44 -7.986 5.019 11.078 331 HB3 GLN 44 2HB GLN 44 -9.733 4.877 11.036 332 HG2 GLN 44 1HG GLN 44 -9.408 2.321 11.096 333 HG3 GLN 44 2HG GLN 44 -7.714 2.624 11.426 334 HE21 GLN 44 1HE2 GLN 44 -7.336 2.238 13.468 335 HE22 GLN 44 2HE2 GLN 44 -8.260 2.782 14.828 336 H TYR 45 H TYR 45 -8.821 4.542 6.704 337 HA TYR 45 HA TYR 45 -8.542 7.433 6.976 338 HB2 TYR 45 1HB TYR 45 -6.531 5.453 6.136 339 HB3 TYR 45 2HB TYR 45 -6.937 6.467 4.765 340 HD1 TYR 45 1HD TYR 45 -5.544 6.459 8.192 341 HD2 TYR 45 2HD TYR 45 -6.254 8.778 4.668 342 HE1 TYR 45 1HE TYR 45 -3.983 8.270 9.060 343 HE2 TYR 45 2HE TYR 45 -4.692 10.581 5.547 344 HH TYR 45 HH TYR 45 -3.025 10.159 8.659 345 H ALA 46 H ALA 46 -8.140 7.927 4.186 346 HA ALA 46 HA ALA 46 -10.666 6.860 3.124 347 HB1 ALA 46 1HB ALA 46 -11.134 8.963 2.214 348 HB2 ALA 46 2HB ALA 46 -10.383 9.387 3.771 349 HB3 ALA 46 3HB ALA 46 -9.431 9.479 2.270 350 H GLU 47 H GLU 47 -10.171 5.261 1.695 351 HA GLU 47 HA GLU 47 -7.785 4.806 0.553 352 HB2 GLU 47 1HB GLU 47 -9.116 3.583 -1.256 353 HB3 GLU 47 2HB GLU 47 -9.491 3.139 0.397 354 HG2 GLU 47 1HG GLU 47 -11.467 4.643 0.383 355 HG3 GLU 47 2HG GLU 47 -11.073 5.179 -1.238 356 H GLU 48 H GLU 48 -10.404 6.974 -0.632 357 HA GLU 48 HA GLU 48 -9.303 7.484 -3.110 358 HB2 GLU 48 1HB GLU 48 -10.773 9.464 -3.131 359 HB3 GLU 48 2HB GLU 48 -11.619 8.075 -2.479 360 HG2 GLU 48 1HG GLU 48 -10.807 8.963 -0.136 361 HG3 GLU 48 2HG GLU 48 -10.499 10.467 -0.980 362 H ASP 49 H ASP 49 -8.395 8.554 0.112 363 HA ASP 49 HA ASP 49 -6.860 10.744 -0.954 364 HB2 ASP 49 1HB ASP 49 -7.216 9.662 1.880 365 HB3 ASP 49 2HB ASP 49 -6.238 11.063 1.492 366 H LEU 50 H LEU 50 -6.579 7.388 -0.562 367 HA LEU 50 HA LEU 50 -3.695 7.540 -0.041 368 HB2 LEU 50 1HB LEU 50 -5.624 5.233 0.252 369 HB3 LEU 50 2HB LEU 50 -3.893 5.136 0.503 370 HG LEU 50 HG LEU 50 -5.879 6.740 2.131 371 HD11 LEU 50 1HD1 LEU 50 -4.213 4.290 2.753 372 HD12 LEU 50 2HD1 LEU 50 -5.094 5.242 3.972 373 HD13 LEU 50 3HD1 LEU 50 -5.987 4.412 2.675 374 HD21 LEU 50 1HD2 LEU 50 -3.866 8.051 1.957 375 HD22 LEU 50 2HD2 LEU 50 -3.948 7.323 3.579 376 HD23 LEU 50 3HD2 LEU 50 -2.859 6.636 2.350 377 H ALA 51 H ALA 51 -2.657 5.381 -1.206 378 HA ALA 51 HA ALA 51 -3.716 4.769 -3.746 379 HB1 ALA 51 1HB ALA 51 -1.589 6.928 -3.566 380 HB2 ALA 51 2HB ALA 51 -1.838 5.947 -5.030 381 HB3 ALA 51 3HB ALA 51 -3.149 6.986 -4.422 382 H LEU 52 H LEU 52 -2.565 3.032 -4.682 383 HA LEU 52 HA LEU 52 -0.695 1.802 -2.861 384 HB2 LEU 52 1HB LEU 52 -1.881 0.832 -5.466 385 HB3 LEU 52 2HB LEU 52 -0.900 -0.122 -4.371 386 HG LEU 52 HG LEU 52 -2.954 -0.832 -3.718 387 HD11 LEU 52 1HD1 LEU 52 -1.855 0.283 -1.775 388 HD12 LEU 52 2HD1 LEU 52 -2.865 1.716 -2.084 389 HD13 LEU 52 3HD1 LEU 52 -3.627 0.168 -1.646 390 HD21 LEU 52 1HD2 LEU 52 -4.989 0.166 -4.121 391 HD22 LEU 52 2HD2 LEU 52 -4.344 1.816 -3.941 392 HD23 LEU 52 3HD2 LEU 52 -3.988 0.875 -5.410 393 H VAL 53 H VAL 53 1.431 2.268 -2.932 394 HA VAL 53 HA VAL 53 2.545 2.908 -5.576 395 HB VAL 53 HB VAL 53 3.956 4.485 -4.606 396 HG11 VAL 53 1HG1 VAL 53 1.167 4.681 -4.206 397 HG12 VAL 53 2HG1 VAL 53 1.927 5.335 -2.735 398 HG13 VAL 53 3HG1 VAL 53 2.348 6.006 -4.329 399 HG21 VAL 53 1HG2 VAL 53 4.740 3.161 -2.705 400 HG22 VAL 53 2HG2 VAL 53 4.265 4.794 -2.180 401 HG23 VAL 53 3HG2 VAL 53 3.188 3.410 -1.870 402 H ALA 54 H ALA 54 3.986 1.449 -6.336 403 HA ALA 54 HA ALA 54 5.020 -0.500 -4.417 404 HB1 ALA 54 1HB ALA 54 4.858 -0.503 -7.458 405 HB2 ALA 54 2HB ALA 54 5.498 -1.832 -6.461 406 HB3 ALA 54 3HB ALA 54 3.781 -1.378 -6.343 407 H ILE 55 H ILE 55 7.312 -1.105 -4.511 408 HA ILE 55 HA ILE 55 8.969 1.052 -5.618 409 HB ILE 55 HB ILE 55 9.512 -0.391 -3.029 410 HG12 ILE 55 1HG1 ILE 55 7.865 2.055 -3.571 411 HG13 ILE 55 2HG1 ILE 55 7.577 0.741 -2.449 412 HG21 ILE 55 1HG2 ILE 55 10.651 2.191 -4.129 413 HG22 ILE 55 2HG2 ILE 55 11.149 1.327 -2.655 414 HG23 ILE 55 3HG2 ILE 55 11.439 0.600 -4.254 415 HD11 ILE 55 1HD1 ILE 55 9.807 2.808 -2.164 416 HD12 ILE 55 2HD1 ILE 55 8.262 2.837 -1.280 417 HD13 ILE 55 3HD1 ILE 55 9.423 1.516 -1.002 418 H THR 56 H THR 56 11.186 0.378 -6.193 419 HA THR 56 HA THR 56 11.214 -2.471 -6.939 420 HB THR 56 HB THR 56 11.101 -0.850 -8.838 421 HG1 THR 56 1HG THR 56 12.647 -2.147 -9.782 422 HG21 THR 56 1HG2 THR 56 13.820 0.105 -7.800 423 HG22 THR 56 2HG2 THR 56 12.994 0.654 -9.278 424 HG23 THR 56 3HG2 THR 56 12.324 1.062 -7.681 425 H PHE 57 H PHE 57 13.819 -2.905 -7.525 426 HA PHE 57 HA PHE 57 14.912 -3.200 -4.951 427 HB2 PHE 57 1HB PHE 57 15.479 -4.811 -6.652 428 HB3 PHE 57 2HB PHE 57 15.750 -3.570 -7.859 429 HD1 PHE 57 1HD PHE 57 17.178 -4.938 -4.708 430 HD2 PHE 57 2HD PHE 57 17.917 -2.850 -8.327 431 HE1 PHE 57 1HE PHE 57 19.646 -5.046 -4.266 432 HE2 PHE 57 2HE PHE 57 20.385 -2.957 -7.885 433 HZ PHE 57 HZ PHE 57 21.220 -4.054 -5.860 434 H SER 58 H SER 58 15.948 -1.198 -7.808 435 HA SER 58 HA SER 58 18.106 -0.033 -6.719 436 HB2 SER 58 1HB SER 58 16.313 0.481 -8.917 437 HB3 SER 58 2HB SER 58 16.670 2.015 -8.149 438 HG SER 58 HG SER 58 18.436 0.180 -9.446 439 H GLY 59 H GLY 59 14.658 0.659 -6.087 440 HA2 GLY 59 1HA GLY 59 13.988 1.517 -3.992 441 HA3 GLY 59 2HA GLY 59 15.484 2.423 -3.879 442 H GLU 60 H GLU 60 12.295 2.226 -5.495 443 HA GLU 60 HA GLU 60 12.274 5.067 -5.672 444 HB2 GLU 60 1HB GLU 60 12.398 3.347 -8.170 445 HB3 GLU 60 2HB GLU 60 11.609 4.911 -8.195 446 HG2 GLU 60 1HG GLU 60 13.780 5.880 -7.184 447 HG3 GLU 60 2HG GLU 60 14.524 4.328 -7.516 448 H LYS 61 H LYS 61 10.201 5.769 -5.272 449 HA LYS 61 HA LYS 61 8.178 3.768 -4.958 450 HB2 LYS 61 1HB LYS 61 8.396 6.717 -4.393 451 HB3 LYS 61 2HB LYS 61 6.834 5.923 -4.348 452 HG2 LYS 61 1HG LYS 61 7.342 4.716 -2.446 453 HG3 LYS 61 2HG LYS 61 9.013 4.472 -2.914 454 HD2 LYS 61 1HD LYS 61 8.752 7.274 -2.481 455 HD3 LYS 61 2HD LYS 61 7.873 6.518 -1.167 456 HE2 LYS 61 1HE LYS 61 9.775 5.572 -0.246 457 HE3 LYS 61 2HE LYS 61 10.517 5.275 -1.805 458 HZ1 LYS 61 1HZ LYS 61 11.552 7.047 -0.439 459 HZ2 LYS 61 2HZ LYS 61 11.155 7.513 -1.953 460 HZ3 LYS 61 3HZ LYS 61 10.229 7.972 -0.688 461 H HIS 62 H HIS 62 6.147 3.671 -6.070 462 HA HIS 62 HA HIS 62 5.852 5.334 -8.401 463 HB2 HIS 62 1HB HIS 62 6.948 2.652 -8.567 464 HB3 HIS 62 2HB HIS 62 5.426 2.752 -9.429 465 HD1 HIS 62 1HD HIS 62 8.697 4.757 -9.237 466 HD2 HIS 62 2HD HIS 62 5.701 3.696 -11.975 467 HE1 HIS 62 1HE HIS 62 9.433 5.685 -11.497 468 H GLU 63 H GLU 63 3.810 6.066 -8.090 469 HA GLU 63 HA GLU 63 1.968 4.467 -6.631 470 HB2 GLU 63 1HB GLU 63 2.226 7.057 -6.624 471 HB3 GLU 63 2HB GLU 63 1.316 7.032 -8.122 472 HG2 GLU 63 1HG GLU 63 -0.127 5.338 -6.355 473 HG3 GLU 63 2HG GLU 63 0.357 6.708 -5.376 474 H LEU 64 H LEU 64 0.741 2.867 -7.517 475 HA LEU 64 HA LEU 64 0.557 2.630 -10.354 476 HB2 LEU 64 1HB LEU 64 -0.658 1.058 -8.080 477 HB3 LEU 64 2HB LEU 64 -0.836 0.638 -9.772 478 HG LEU 64 HG LEU 64 0.879 -0.748 -9.084 479 HD11 LEU 64 1HD1 LEU 64 2.530 1.621 -9.968 480 HD12 LEU 64 2HD1 LEU 64 2.812 -0.111 -10.267 481 HD13 LEU 64 3HD1 LEU 64 1.465 0.725 -11.077 482 HD21 LEU 64 1HD2 LEU 64 2.308 1.467 -7.608 483 HD22 LEU 64 2HD2 LEU 64 1.084 0.429 -6.840 484 HD23 LEU 64 3HD2 LEU 64 2.569 -0.291 -7.505 485 H GLN 65 H GLN 65 -2.403 1.576 -9.235 486 HA GLN 65 HA GLN 65 -3.746 4.077 -9.268 487 HB2 GLN 65 1HB GLN 65 -3.841 2.250 -11.691 488 HB3 GLN 65 2HB GLN 65 -5.181 3.314 -11.314 489 HG2 GLN 65 1HG GLN 65 -3.131 5.101 -11.085 490 HG3 GLN 65 2HG GLN 65 -2.412 3.999 -12.242 491 HE21 GLN 65 1HE2 GLN 65 -4.404 6.631 -11.807 492 HE22 GLN 65 2HE2 GLN 65 -5.187 6.698 -13.350 493 HA PRO 66 HA PRO 66 -6.812 1.642 -7.384 494 HB2 PRO 66 1HB PRO 66 -9.200 2.688 -8.203 495 HB3 PRO 66 2HB PRO 66 -8.199 3.434 -6.974 496 HG2 PRO 66 1HG PRO 66 -8.599 4.252 -9.786 497 HG3 PRO 66 2HG PRO 66 -7.964 5.191 -8.449 498 HD2 PRO 66 1HD PRO 66 -6.455 3.990 -10.573 499 HD3 PRO 66 2HD PRO 66 -5.813 4.830 -9.175 500 H ASN 67 H ASN 67 -6.070 1.105 -10.412 501 HA ASN 67 HA ASN 67 -8.091 -0.989 -10.582 502 HB2 ASN 67 1HB ASN 67 -7.362 -0.719 -13.192 503 HB3 ASN 67 2HB ASN 67 -8.688 0.188 -12.494 504 HD21 ASN 67 1HD2 ASN 67 -5.495 0.266 -13.764 505 HD22 ASN 67 2HD2 ASN 67 -5.227 1.976 -13.724 506 H ASP 68 H ASP 68 -4.733 0.161 -11.094 507 HA ASP 68 HA ASP 68 -3.552 -1.824 -12.391 508 HB2 ASP 68 1HB ASP 68 -2.758 -0.005 -10.173 509 HB3 ASP 68 2HB ASP 68 -1.739 -1.423 -10.325 510 H LEU 69 H LEU 69 -4.069 -4.021 -12.101 511 HA LEU 69 HA LEU 69 -5.019 -5.255 -9.912 512 HB2 LEU 69 1HB LEU 69 -3.992 -5.992 -12.408 513 HB3 LEU 69 2HB LEU 69 -3.091 -6.952 -11.251 514 HG LEU 69 HG LEU 69 -5.189 -7.821 -10.308 515 HD11 LEU 69 1HD1 LEU 69 -6.828 -6.215 -10.548 516 HD12 LEU 69 2HD1 LEU 69 -6.420 -5.893 -12.251 517 HD13 LEU 69 3HD1 LEU 69 -7.281 -7.387 -11.809 518 HD21 LEU 69 1HD2 LEU 69 -4.449 -8.185 -13.167 519 HD22 LEU 69 2HD2 LEU 69 -4.467 -9.350 -11.821 520 HD23 LEU 69 3HD2 LEU 69 -5.989 -8.891 -12.622 521 H VAL 70 H VAL 70 -4.159 -6.459 -8.126 522 HA VAL 70 HA VAL 70 -1.430 -5.620 -7.426 523 HB VAL 70 HB VAL 70 -2.271 -5.822 -5.055 524 HG11 VAL 70 1HG1 VAL 70 -1.896 -3.665 -6.247 525 HG12 VAL 70 2HG1 VAL 70 -3.606 -3.680 -6.742 526 HG13 VAL 70 3HG1 VAL 70 -3.179 -3.580 -5.016 527 HG21 VAL 70 1HG2 VAL 70 -4.576 -6.822 -6.333 528 HG22 VAL 70 2HG2 VAL 70 -4.356 -6.475 -4.601 529 HG23 VAL 70 3HG2 VAL 70 -5.032 -5.230 -5.679 530 H ILE 71 H ILE 71 -1.023 -7.671 -8.806 531 HA ILE 71 HA ILE 71 -0.434 -9.762 -7.008 532 HB ILE 71 HB ILE 71 -2.703 -10.375 -7.103 533 HG12 ILE 71 1HG1 ILE 71 -1.700 -12.232 -9.211 534 HG13 ILE 71 2HG1 ILE 71 -0.745 -12.091 -7.749 535 HG21 ILE 71 1HG2 ILE 71 -2.809 -9.046 -9.503 536 HG22 ILE 71 2HG2 ILE 71 -2.998 -10.745 -9.999 537 HG23 ILE 71 3HG2 ILE 71 -4.113 -10.038 -8.805 538 HD11 ILE 71 1HD1 ILE 71 -2.203 -13.452 -6.685 539 HD12 ILE 71 2HD1 ILE 71 -3.486 -12.242 -6.925 540 HD13 ILE 71 3HD1 ILE 71 -3.225 -13.515 -8.142 541 H SER 72 H SER 72 -1.037 -8.770 -10.427 542 HA SER 72 HA SER 72 1.161 -10.429 -11.253 543 HB2 SER 72 1HB SER 72 -1.042 -10.103 -12.555 544 HB3 SER 72 2HB SER 72 -0.458 -8.503 -12.967 545 HG SER 72 HG SER 72 0.060 -10.088 -14.612 546 H LYS 73 H LYS 73 0.313 -7.000 -10.705 547 HA LYS 73 HA LYS 73 2.609 -5.946 -11.987 548 HB2 LYS 73 1HB LYS 73 0.267 -4.891 -11.233 549 HB3 LYS 73 2HB LYS 73 1.204 -4.443 -9.823 550 HG2 LYS 73 1HG LYS 73 1.553 -2.611 -11.267 551 HG3 LYS 73 2HG LYS 73 2.993 -3.575 -11.527 552 HD2 LYS 73 1HD LYS 73 1.015 -4.581 -13.337 553 HD3 LYS 73 2HD LYS 73 0.929 -2.833 -13.437 554 HE2 LYS 73 1HE LYS 73 3.676 -3.253 -13.419 555 HE3 LYS 73 2HE LYS 73 3.111 -4.668 -14.285 556 HZ1 LYS 73 1HZ LYS 73 3.266 -2.044 -15.193 557 HZ2 LYS 73 2HZ LYS 73 2.834 -3.380 -16.027 558 HZ3 LYS 73 3HZ LYS 73 1.700 -2.502 -15.247 559 H SER 74 H SER 74 4.510 -5.018 -10.999 560 HA SER 74 HA SER 74 6.222 -5.028 -9.667 561 HB2 SER 74 1HB SER 74 3.985 -5.281 -7.666 562 HB3 SER 74 2HB SER 74 5.625 -5.503 -7.089 563 HG SER 74 HG SER 74 4.577 -3.185 -8.474 564 H LEU 75 H LEU 75 6.748 -7.069 -10.930 565 HA LEU 75 HA LEU 75 7.205 -9.221 -9.038 566 HB2 LEU 75 1HB LEU 75 5.236 -9.323 -11.184 567 HB3 LEU 75 2HB LEU 75 6.444 -10.583 -11.332 568 HG LEU 75 HG LEU 75 5.954 -11.160 -8.892 569 HD11 LEU 75 1HD1 LEU 75 4.689 -9.712 -7.768 570 HD12 LEU 75 2HD1 LEU 75 4.133 -8.912 -9.257 571 HD13 LEU 75 3HD1 LEU 75 3.305 -10.375 -8.669 572 HD21 LEU 75 1HD2 LEU 75 4.347 -11.707 -11.299 573 HD22 LEU 75 2HD2 LEU 75 5.101 -12.822 -10.134 574 HD23 LEU 75 3HD2 LEU 75 3.533 -12.069 -9.758 575 H GLU 76 H GLU 76 9.409 -8.646 -9.097 576 HA GLU 76 HA GLU 76 10.725 -9.625 -11.438 577 HB2 GLU 76 1HB GLU 76 10.310 -6.818 -11.157 578 HB3 GLU 76 2HB GLU 76 11.998 -7.096 -10.781 579 HG2 GLU 76 1HG GLU 76 11.674 -8.720 -12.998 580 HG3 GLU 76 2HG GLU 76 10.555 -7.423 -13.366 581 H ALA 77 H ALA 77 11.182 -7.745 -8.358 582 HA ALA 77 HA ALA 77 12.978 -9.845 -7.451 583 HB1 ALA 77 1HB ALA 77 13.787 -6.916 -7.378 584 HB2 ALA 77 2HB ALA 77 14.772 -8.334 -6.945 585 HB3 ALA 77 3HB ALA 77 14.326 -8.045 -8.644 586 H SER 78 H SER 78 11.359 -10.430 -5.943 587 HA SER 78 HA SER 78 9.982 -10.202 -4.246 588 HB2 SER 78 1HB SER 78 12.656 -9.183 -3.399 589 HB3 SER 78 2HB SER 78 11.344 -8.840 -2.289 590 HG SER 78 HG SER 78 12.490 -11.327 -3.028 591 H GLY 79 H GLY 79 8.868 -8.515 -5.891 592 HA2 GLY 79 1HA GLY 79 8.958 -5.793 -5.554 593 HA3 GLY 79 2HA GLY 79 7.535 -6.706 -6.016 594 H ARG 80 H ARG 80 7.437 -4.312 -4.437 595 HA ARG 80 HA ARG 80 6.097 -5.423 -2.166 596 HB2 ARG 80 1HB ARG 80 7.291 -3.491 -0.749 597 HB3 ARG 80 2HB ARG 80 8.042 -5.066 -0.920 598 HG2 ARG 80 1HG ARG 80 8.629 -2.987 -3.027 599 HG3 ARG 80 2HG ARG 80 9.384 -2.798 -1.457 600 HD2 ARG 80 1HD ARG 80 9.839 -5.484 -1.924 601 HD3 ARG 80 2HD ARG 80 9.878 -4.857 -3.560 602 HE ARG 80 HE ARG 80 11.967 -3.968 -3.059 603 HH11 ARG 80 2HH2 ARG 80 10.085 -4.097 -0.089 604 HH12 ARG 80 1HH2 ARG 80 11.358 -3.457 0.896 605 HH21 ARG 80 2HH1 ARG 80 13.647 -3.124 -1.760 606 HH22 ARG 80 1HH1 ARG 80 13.398 -2.899 -0.061 607 H ILE 81 H ILE 81 4.183 -4.291 -1.870 608 HA ILE 81 HA ILE 81 3.955 -1.755 -3.310 609 HB ILE 81 HB ILE 81 1.951 -3.822 -2.431 610 HG12 ILE 81 1HG1 ILE 81 1.422 -3.664 -4.943 611 HG13 ILE 81 2HG1 ILE 81 2.942 -2.807 -5.098 612 HG21 ILE 81 1HG2 ILE 81 1.168 -1.446 -2.007 613 HG22 ILE 81 2HG2 ILE 81 1.251 -1.205 -3.769 614 HG23 ILE 81 3HG2 ILE 81 0.158 -2.434 -3.089 615 HD11 ILE 81 1HD1 ILE 81 2.767 -5.502 -5.273 616 HD12 ILE 81 2HD1 ILE 81 4.216 -4.682 -4.645 617 HD13 ILE 81 3HD1 ILE 81 3.014 -5.354 -3.517 618 H TYR 82 H TYR 82 2.926 0.079 -2.283 619 HA TYR 82 HA TYR 82 2.723 -0.106 0.626 620 HB2 TYR 82 1HB TYR 82 4.283 1.962 -1.046 621 HB3 TYR 82 2HB TYR 82 4.111 2.027 0.696 622 HD1 TYR 82 1HD TYR 82 5.343 -0.307 -1.974 623 HD2 TYR 82 2HD TYR 82 5.823 1.166 2.014 624 HE1 TYR 82 1HE TYR 82 7.456 -1.696 -1.707 625 HE2 TYR 82 2HE TYR 82 7.933 -0.228 2.268 626 HH TYR 82 HH TYR 82 9.701 -1.159 0.472 627 H VAL 83 H VAL 83 1.735 1.977 1.545 628 HA VAL 83 HA VAL 83 -0.021 3.224 -0.446 629 HB VAL 83 HB VAL 83 -1.331 1.528 0.599 630 HG11 VAL 83 1HG1 VAL 83 0.141 2.346 3.025 631 HG12 VAL 83 2HG1 VAL 83 -1.590 2.019 3.278 632 HG13 VAL 83 3HG1 VAL 83 -0.542 0.766 2.571 633 HG21 VAL 83 1HG2 VAL 83 -2.022 4.126 2.004 634 HG22 VAL 83 2HG2 VAL 83 -2.328 3.818 0.277 635 HG23 VAL 83 3HG2 VAL 83 -3.130 2.821 1.515 636 H TYR 84 H TYR 84 0.131 5.407 -0.401 637 HA TYR 84 HA TYR 84 1.228 6.592 2.060 638 HB2 TYR 84 1HB TYR 84 1.397 7.191 -0.949 639 HB3 TYR 84 2HB TYR 84 1.845 8.410 0.227 640 HD1 TYR 84 2HD TYR 84 2.524 4.723 -0.080 641 HD2 TYR 84 1HD TYR 84 4.142 8.660 0.353 642 HE1 TYR 84 2HE TYR 84 4.871 3.753 0.040 643 HE2 TYR 84 1HE TYR 84 6.483 7.677 0.471 644 HH TYR 84 HH TYR 84 7.587 5.713 0.929 645 H ARG 85 H ARG 85 0.657 9.103 2.081 646 HA ARG 85 HA ARG 85 -2.222 9.153 1.792 647 HB2 ARG 85 1HB ARG 85 -0.586 9.874 3.912 648 HB3 ARG 85 2HB ARG 85 -0.854 11.431 3.154 649 HG2 ARG 85 1HG ARG 85 -3.377 10.010 3.233 650 HG3 ARG 85 2HG ARG 85 -2.656 9.942 4.829 651 HD2 ARG 85 1HD ARG 85 -3.391 12.065 5.174 652 HD3 ARG 85 2HD ARG 85 -2.219 12.607 3.989 653 HE ARG 85 HE ARG 85 -4.359 11.718 2.446 654 HH11 ARG 85 2HH2 ARG 85 -3.983 14.053 5.051 655 HH12 ARG 85 1HH2 ARG 85 -5.277 15.065 4.503 656 HH21 ARG 85 2HH1 ARG 85 -6.067 13.053 1.722 657 HH22 ARG 85 1HH1 ARG 85 -6.470 14.492 2.597 658 H LYS 86 H LYS 86 -3.286 10.760 0.541 659 HA LYS 86 HA LYS 86 -1.573 12.108 -1.360 660 HB2 LYS 86 1HB LYS 86 -4.532 11.563 -1.165 661 HB3 LYS 86 2HB LYS 86 -3.908 12.737 -2.306 662 HG2 LYS 86 1HG LYS 86 -2.185 10.651 -2.781 663 HG3 LYS 86 2HG LYS 86 -3.612 9.760 -2.290 664 HD2 LYS 86 1HD LYS 86 -4.924 11.251 -3.970 665 HD3 LYS 86 2HD LYS 86 -3.359 11.744 -4.587 666 HE2 LYS 86 1HE LYS 86 -2.912 9.106 -4.677 667 HE3 LYS 86 2HE LYS 86 -4.662 9.016 -4.683 668 HZ1 LYS 86 1HZ LYS 86 -3.981 9.161 -6.895 669 HZ2 LYS 86 2HZ LYS 86 -4.562 10.648 -6.549 670 HZ3 LYS 86 3HZ LYS 86 -2.950 10.397 -6.619 671 H ASP 87 H ASP 87 -0.772 14.090 -0.949 672 HA ASP 87 HA ASP 87 -2.152 16.291 -0.507 673 HB2 ASP 87 1HB ASP 87 -2.115 14.709 1.953 674 HB3 ASP 87 2HB ASP 87 -1.299 16.238 2.212 675 H LEU 88 H LEU 88 -0.596 17.870 1.221 676 HA LEU 88 HA LEU 88 1.380 18.816 1.497 677 HB2 LEU 88 1HB LEU 88 2.096 15.947 1.363 678 HB3 LEU 88 2HB LEU 88 3.407 17.081 1.107 679 HG LEU 88 HG LEU 88 1.582 17.054 3.527 680 HD11 LEU 88 1HD1 LEU 88 4.165 15.697 2.933 681 HD12 LEU 88 2HD1 LEU 88 3.956 16.403 4.553 682 HD13 LEU 88 3HD1 LEU 88 2.802 15.186 3.957 683 HD21 LEU 88 1HD2 LEU 88 4.139 18.445 3.764 684 HD22 LEU 88 2HD2 LEU 88 3.069 19.163 2.535 685 HD23 LEU 88 3HD2 LEU 88 2.497 18.969 4.209 686 H ALA 89 H ALA 89 0.271 19.584 -0.734 687 HA ALA 89 HA ALA 89 0.879 20.655 -2.604 688 HB1 ALA 89 1HB ALA 89 3.410 19.177 -3.092 689 HB2 ALA 89 2HB ALA 89 3.081 20.927 -3.122 690 HB3 ALA 89 3HB ALA 89 3.345 20.097 -1.570 691 H ASP 90 H ASP 90 2.511 17.447 -3.065 692 HA ASP 90 HA ASP 90 0.269 16.506 -4.545 693 HB2 ASP 90 1HB ASP 90 2.311 17.906 -5.937 694 HB3 ASP 90 2HB ASP 90 2.649 16.213 -6.233 695 H THR 91 H THR 91 3.800 16.239 -3.762 696 HA THR 91 HA THR 91 4.294 13.615 -4.203 697 HB THR 91 HB THR 91 5.173 15.034 -1.653 698 HG1 THR 91 1HG THR 91 6.315 16.435 -3.026 699 HG21 THR 91 1HG2 THR 91 6.238 12.938 -3.510 700 HG22 THR 91 2HG2 THR 91 7.409 14.180 -3.005 701 HG23 THR 91 3HG2 THR 91 6.576 13.192 -1.781 702 H LEU 92 H LEU 92 4.523 11.773 -2.608 703 HA LEU 92 HA LEU 92 1.954 11.530 -1.240 704 HB2 LEU 92 1HB LEU 92 3.783 9.703 -2.660 705 HB3 LEU 92 2HB LEU 92 3.058 9.047 -1.205 706 HG LEU 92 HG LEU 92 1.650 10.072 -3.676 707 HD11 LEU 92 1HD1 LEU 92 1.854 7.935 -4.268 708 HD12 LEU 92 2HD1 LEU 92 2.403 7.452 -2.645 709 HD13 LEU 92 3HD1 LEU 92 0.662 7.573 -2.996 710 HD21 LEU 92 1HD2 LEU 92 0.144 10.880 -2.170 711 HD22 LEU 92 2HD2 LEU 92 -0.415 9.192 -2.254 712 HD23 LEU 92 3HD2 LEU 92 0.613 9.724 -0.901 713 H ASN 93 H ASN 93 5.476 10.780 -0.760 714 HA ASN 93 HA ASN 93 6.717 10.775 1.017 715 HB2 ASN 93 1HB ASN 93 4.534 12.275 2.544 716 HB3 ASN 93 2HB ASN 93 6.256 12.296 2.871 717 HD21 ASN 93 1HD2 ASN 93 3.743 13.919 1.488 718 HD22 ASN 93 2HD2 ASN 93 4.584 14.982 0.410 719 HA PRO 94 HA PRO 94 4.994 7.419 3.281 720 HB2 PRO 94 1HB PRO 94 7.145 6.773 4.838 721 HB3 PRO 94 2HB PRO 94 6.967 6.237 3.179 722 HG2 PRO 94 1HG PRO 94 8.728 8.348 4.265 723 HG3 PRO 94 2HG PRO 94 8.833 7.514 2.727 724 HD2 PRO 94 1HD PRO 94 7.859 10.175 3.174 725 HD3 PRO 94 2HD PRO 94 7.856 9.298 1.656 726 H PHE 95 H PHE 95 3.983 6.821 5.218 727 HA PHE 95 HA PHE 95 3.275 9.023 6.772 728 HB2 PHE 95 1HB PHE 95 3.027 6.015 6.763 729 HB3 PHE 95 2HB PHE 95 2.749 6.774 8.318 730 HD1 PHE 95 2HD PHE 95 0.994 8.655 8.413 731 HD2 PHE 95 1HD PHE 95 1.320 5.937 5.170 732 HE1 PHE 95 2HE PHE 95 -1.363 9.183 7.734 733 HE2 PHE 95 1HE PHE 95 -1.038 6.466 4.491 734 HZ PHE 95 HZ PHE 95 -2.351 8.083 5.781 735 H ALA 96 H ALA 96 3.361 8.279 9.442 736 HA ALA 96 HA ALA 96 4.631 8.453 11.246 737 HB1 ALA 96 1HB ALA 96 5.486 6.207 9.904 738 HB2 ALA 96 2HB ALA 96 7.010 7.099 10.126 739 HB3 ALA 96 3HB ALA 96 6.012 6.678 11.538 740 H GLU 97 H GLU 97 4.997 10.662 11.389 741 HA GLU 97 HA GLU 97 7.531 11.511 10.225 742 HB2 GLU 97 1HB GLU 97 4.828 12.828 10.120 743 HB3 GLU 97 2HB GLU 97 6.231 13.867 10.265 744 HG2 GLU 97 1HG GLU 97 6.629 11.747 8.253 745 HG3 GLU 97 2HG GLU 97 5.235 12.744 7.888 746 H ASN 98 H ASN 98 8.972 12.249 11.731 747 HA ASN 98 HA ASN 98 9.806 12.816 13.653 748 HB2 ASN 98 1HB ASN 98 7.493 14.637 13.263 749 HB3 ASN 98 2HB ASN 98 7.955 14.491 14.947 750 HD21 ASN 98 1HD2 ASN 98 8.239 16.879 13.936 751 HD22 ASN 98 2HD2 ASN 98 9.886 17.299 13.601 752 H SER 99 H SER 99 9.698 10.777 14.779 753 HA SER 99 HA SER 99 7.254 10.252 16.236 754 HB2 SER 99 1HB SER 99 9.039 8.603 14.853 755 HB3 SER 99 2HB SER 99 9.457 8.309 16.528 756 HG SER 99 HG SER 99 7.746 7.035 16.592 757 H GLY 100 H GLY 100 7.392 9.633 18.575 758 HA2 GLY 100 1HA GLY 100 9.756 10.787 19.922 759 HA3 GLY 100 2HA GLY 100 8.127 11.231 20.391 760 HA PRO 101 HA PRO 101 8.537 7.782 23.065 761 HB2 PRO 101 1HB PRO 101 6.285 8.223 24.549 762 HB3 PRO 101 2HB PRO 101 7.823 8.990 24.890 763 HG2 PRO 101 1HG PRO 101 5.405 10.154 23.649 764 HG3 PRO 101 2HG PRO 101 6.770 10.977 24.377 765 HD2 PRO 101 1HD PRO 101 6.247 10.670 21.574 766 HD3 PRO 101 2HD PRO 101 7.669 11.391 22.302 767 H SER 102 H SER 102 7.926 5.653 23.140 768 HA SER 102 HA SER 102 5.371 5.115 21.912 769 HB2 SER 102 1HB SER 102 6.183 3.716 20.197 770 HB3 SER 102 2HB SER 102 7.281 5.081 20.152 771 HG SER 102 HG SER 102 8.124 2.700 20.209 772 H SER 103 H SER 103 4.785 2.706 22.197 773 HA SER 103 HA SER 103 6.279 1.055 23.808 774 HB2 SER 103 1HB SER 103 4.838 1.207 25.928 775 HB3 SER 103 2HB SER 103 6.008 2.490 25.689 776 HG SER 103 HG SER 103 3.865 3.266 26.322 777 H GLY 104 H GLY 104 5.093 -0.969 24.289 778 HA2 GLY 104 1HA GLY 104 2.531 -1.617 24.177 779 HA3 GLY 104 2HA GLY 104 2.832 -1.310 22.478 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.454 -18.893 15.790 2 HA2 GLY 1 1HA GLY 1 -8.812 -20.731 13.532 3 HA3 GLY 1 2HA GLY 1 -10.043 -20.163 14.643 4 H SER 2 H SER 2 -9.137 -19.966 11.494 5 HA SER 2 HA SER 2 -10.276 -17.298 11.284 6 HB2 SER 2 1HB SER 2 -7.623 -18.152 10.448 7 HB3 SER 2 2HB SER 2 -8.553 -17.671 9.043 8 HG SER 2 HG SER 2 -7.720 -16.119 11.286 9 H SER 3 H SER 3 -9.254 -20.230 9.376 10 HA SER 3 HA SER 3 -10.244 -21.384 7.829 11 HB2 SER 3 1HB SER 3 -12.275 -20.872 9.764 12 HB3 SER 3 2HB SER 3 -13.045 -20.688 8.201 13 HG SER 3 HG SER 3 -13.177 -22.881 8.797 14 H GLY 4 H GLY 4 -9.367 -20.052 6.110 15 HA2 GLY 4 1HA GLY 4 -11.438 -18.657 4.601 16 HA3 GLY 4 2HA GLY 4 -10.054 -17.707 5.102 17 H SER 5 H SER 5 -11.293 -19.960 2.788 18 HA SER 5 HA SER 5 -9.052 -19.641 1.165 19 HB2 SER 5 1HB SER 5 -8.141 -21.346 2.806 20 HB3 SER 5 2HB SER 5 -9.389 -22.458 2.283 21 HG SER 5 HG SER 5 -6.981 -21.941 1.120 22 H SER 6 H SER 6 -9.958 -19.624 -0.860 23 HA SER 6 HA SER 6 -11.731 -21.705 -1.614 24 HB2 SER 6 1HB SER 6 -13.214 -20.021 -0.378 25 HB3 SER 6 2HB SER 6 -12.847 -18.870 -1.647 26 HG SER 6 HG SER 6 -13.586 -21.103 -2.921 27 H GLY 7 H GLY 7 -10.481 -22.163 -3.427 28 HA2 GLY 7 1HA GLY 7 -9.627 -21.922 -5.492 29 HA3 GLY 7 2HA GLY 7 -10.678 -20.536 -5.705 30 H GLU 8 H GLU 8 -9.539 -18.762 -6.338 31 HA GLU 8 HA GLU 8 -6.862 -18.495 -6.229 32 HB2 GLU 8 1HB GLU 8 -7.348 -15.969 -6.388 33 HB3 GLU 8 2HB GLU 8 -8.075 -16.994 -7.610 34 HG2 GLU 8 1HG GLU 8 -9.904 -16.920 -5.398 35 HG3 GLU 8 2HG GLU 8 -9.385 -15.270 -5.678 36 H GLU 9 H GLU 9 -5.411 -18.372 -4.577 37 HA GLU 9 HA GLU 9 -6.352 -17.064 -2.144 38 HB2 GLU 9 1HB GLU 9 -4.764 -19.625 -2.483 39 HB3 GLU 9 2HB GLU 9 -4.633 -18.692 -1.006 40 HG2 GLU 9 1HG GLU 9 -7.380 -19.378 -2.083 41 HG3 GLU 9 2HG GLU 9 -6.468 -20.603 -1.224 42 H ILE 10 H ILE 10 -5.338 -15.091 -2.144 43 HA ILE 10 HA ILE 10 -2.468 -15.081 -2.110 44 HB ILE 10 HB ILE 10 -3.058 -15.023 -4.535 45 HG12 ILE 10 1HG1 ILE 10 -1.748 -12.436 -3.715 46 HG13 ILE 10 2HG1 ILE 10 -0.989 -13.976 -3.362 47 HG21 ILE 10 1HG2 ILE 10 -4.837 -12.932 -3.623 48 HG22 ILE 10 2HG2 ILE 10 -3.739 -12.329 -4.888 49 HG23 ILE 10 3HG2 ILE 10 -4.756 -13.757 -5.199 50 HD11 ILE 10 1HD1 ILE 10 -0.569 -12.669 -5.683 51 HD12 ILE 10 2HD1 ILE 10 -0.561 -14.446 -5.589 52 HD13 ILE 10 3HD1 ILE 10 -2.015 -13.592 -6.158 53 H PHE 11 H PHE 11 -1.637 -12.897 -1.457 54 HA PHE 11 HA PHE 11 -3.743 -11.280 -0.225 55 HB2 PHE 11 1HB PHE 11 -1.459 -12.832 0.942 56 HB3 PHE 11 2HB PHE 11 -1.523 -11.172 1.499 57 HD1 PHE 11 2HD PHE 11 -3.524 -10.360 2.729 58 HD2 PHE 11 1HD PHE 11 -3.058 -14.445 1.680 59 HE1 PHE 11 2HE PHE 11 -5.280 -10.991 4.408 60 HE2 PHE 11 1HE PHE 11 -4.815 -15.076 3.358 61 HZ PHE 11 HZ PHE 11 -5.905 -13.342 4.702 62 H CYS 12 H CYS 12 -3.392 -9.057 -0.288 63 HA CYS 12 HA CYS 12 -1.090 -8.265 -1.873 64 HB2 CYS 12 1HB CYS 12 -3.237 -7.498 -2.694 65 HB3 CYS 12 2HB CYS 12 -3.642 -6.795 -1.141 66 HG CYS 12 HG CYS 12 -2.640 -4.679 -1.466 67 H HIS 13 H HIS 13 0.716 -7.725 -0.693 68 HA HIS 13 HA HIS 13 0.415 -6.942 2.049 69 HB2 HIS 13 1HB HIS 13 2.787 -7.422 0.240 70 HB3 HIS 13 2HB HIS 13 2.970 -6.791 1.864 71 HD1 HIS 13 1HD HIS 13 2.938 -9.906 0.075 72 HD2 HIS 13 2HD HIS 13 1.618 -8.660 3.856 73 HE1 HIS 13 1HE HIS 13 2.697 -12.022 1.481 74 H VAL 14 H VAL 14 -0.080 -4.889 2.620 75 HA VAL 14 HA VAL 14 0.955 -2.757 0.880 76 HB VAL 14 HB VAL 14 -1.650 -3.164 2.290 77 HG11 VAL 14 1HG1 VAL 14 -0.268 -0.516 1.859 78 HG12 VAL 14 2HG1 VAL 14 -2.044 -0.642 1.840 79 HG13 VAL 14 3HG1 VAL 14 -1.133 -1.115 3.295 80 HG21 VAL 14 1HG2 VAL 14 -1.625 -3.663 -0.053 81 HG22 VAL 14 2HG2 VAL 14 -2.488 -2.121 0.155 82 HG23 VAL 14 3HG2 VAL 14 -0.808 -2.128 -0.434 83 H TYR 15 H TYR 15 2.879 -2.237 1.887 84 HA TYR 15 HA TYR 15 3.139 -2.242 4.712 85 HB2 TYR 15 1HB TYR 15 4.645 -1.257 2.237 86 HB3 TYR 15 2HB TYR 15 5.249 -0.810 3.820 87 HD1 TYR 15 2HD TYR 15 3.665 -4.069 2.973 88 HD2 TYR 15 1HD TYR 15 7.313 -1.991 3.798 89 HE1 TYR 15 2HE TYR 15 4.900 -6.285 3.132 90 HE2 TYR 15 1HE TYR 15 8.535 -4.215 3.955 91 HH TYR 15 HH TYR 15 7.038 -7.168 2.977 92 H ILE 16 H ILE 16 3.139 -0.540 6.196 93 HA ILE 16 HA ILE 16 1.921 1.916 5.173 94 HB ILE 16 HB ILE 16 2.086 0.889 8.007 95 HG12 ILE 16 1HG1 ILE 16 -0.358 0.802 6.237 96 HG13 ILE 16 2HG1 ILE 16 0.777 -0.532 6.300 97 HG21 ILE 16 1HG2 ILE 16 1.603 3.045 8.421 98 HG22 ILE 16 2HG2 ILE 16 1.059 3.358 6.755 99 HG23 ILE 16 3HG2 ILE 16 -0.038 2.574 7.917 100 HD11 ILE 16 1HD1 ILE 16 -1.349 -0.149 8.048 101 HD12 ILE 16 2HD1 ILE 16 0.051 -1.204 8.353 102 HD13 ILE 16 3HD1 ILE 16 0.037 0.460 8.985 103 H THR 17 H THR 17 4.417 0.793 7.566 104 HA THR 17 HA THR 17 5.839 3.315 7.017 105 HB THR 17 HB THR 17 6.496 3.316 9.322 106 HG1 THR 17 1HG THR 17 6.779 1.330 10.289 107 HG21 THR 17 1HG2 THR 17 3.770 1.931 9.426 108 HG22 THR 17 2HG2 THR 17 4.462 3.038 10.636 109 HG23 THR 17 3HG2 THR 17 3.963 3.659 9.044 110 H GLU 18 H GLU 18 8.026 1.876 8.763 111 HA GLU 18 HA GLU 18 9.318 0.811 6.422 112 HB2 GLU 18 1HB GLU 18 10.251 2.428 8.380 113 HB3 GLU 18 2HB GLU 18 10.693 0.888 9.089 114 HG2 GLU 18 1HG GLU 18 12.337 0.502 7.541 115 HG3 GLU 18 2HG GLU 18 11.347 1.056 6.206 116 H HIS 19 H HIS 19 8.013 -0.218 9.582 117 HA HIS 19 HA HIS 19 8.505 -2.973 8.742 118 HB2 HIS 19 1HB HIS 19 8.812 -1.995 11.591 119 HB3 HIS 19 2HB HIS 19 9.096 -3.617 10.993 120 HD1 HIS 19 1HD HIS 19 11.080 -3.636 8.955 121 HD2 HIS 19 2HD HIS 19 11.113 -0.551 11.798 122 HE1 HIS 19 1HE HIS 19 13.433 -2.650 8.913 123 H SER 20 H SER 20 6.170 -1.426 8.233 124 HA SER 20 HA SER 20 4.336 -2.908 9.919 125 HB2 SER 20 1HB SER 20 3.685 -0.053 9.144 126 HB3 SER 20 2HB SER 20 2.954 -1.038 10.396 127 HG SER 20 HG SER 20 4.823 0.748 10.782 128 H TYR 21 H TYR 21 2.444 -3.619 8.806 129 HA TYR 21 HA TYR 21 1.868 -2.598 6.186 130 HB2 TYR 21 1HB TYR 21 2.540 -4.590 5.004 131 HB3 TYR 21 2HB TYR 21 3.857 -4.361 6.137 132 HD1 TYR 21 1HD TYR 21 3.537 -5.588 8.483 133 HD2 TYR 21 2HD TYR 21 1.544 -6.687 4.860 134 HE1 TYR 21 1HE TYR 21 3.146 -7.927 9.399 135 HE2 TYR 21 2HE TYR 21 1.160 -9.023 5.788 136 HH TYR 21 HH TYR 21 1.420 -10.357 7.459 137 H VAL 22 H VAL 22 0.121 -4.265 5.152 138 HA VAL 22 HA VAL 22 -1.546 -5.288 7.325 139 HB VAL 22 HB VAL 22 -2.278 -3.006 6.861 140 HG11 VAL 22 1HG1 VAL 22 -2.969 -3.883 4.047 141 HG12 VAL 22 2HG1 VAL 22 -3.021 -2.245 4.743 142 HG13 VAL 22 3HG1 VAL 22 -1.455 -3.038 4.448 143 HG21 VAL 22 1HG2 VAL 22 -4.146 -4.102 7.545 144 HG22 VAL 22 2HG2 VAL 22 -4.664 -3.797 5.870 145 HG23 VAL 22 3HG2 VAL 22 -3.982 -5.379 6.316 146 H SER 23 H SER 23 -2.572 -7.207 6.825 147 HA SER 23 HA SER 23 -1.806 -8.324 4.287 148 HB2 SER 23 1HB SER 23 -2.308 -10.450 5.241 149 HB3 SER 23 2HB SER 23 -1.571 -9.531 6.538 150 HG SER 23 HG SER 23 -3.371 -10.379 7.497 151 H VAL 24 H VAL 24 -3.163 -7.818 2.592 152 HA VAL 24 HA VAL 24 -6.039 -7.767 3.168 153 HB VAL 24 HB VAL 24 -4.394 -6.538 0.948 154 HG11 VAL 24 1HG1 VAL 24 -6.411 -5.598 0.058 155 HG12 VAL 24 2HG1 VAL 24 -6.666 -7.352 0.223 156 HG13 VAL 24 3HG1 VAL 24 -7.376 -6.233 1.412 157 HG21 VAL 24 1HG2 VAL 24 -4.133 -4.843 2.376 158 HG22 VAL 24 2HG2 VAL 24 -5.893 -4.585 2.311 159 HG23 VAL 24 3HG2 VAL 24 -5.192 -5.622 3.577 160 H LYS 25 H LYS 25 -7.241 -9.466 2.503 161 HA LYS 25 HA LYS 25 -5.972 -11.357 0.690 162 HB2 LYS 25 1HB LYS 25 -6.971 -12.040 2.916 163 HB3 LYS 25 2HB LYS 25 -8.549 -11.673 2.249 164 HG2 LYS 25 1HG LYS 25 -7.846 -13.243 0.265 165 HG3 LYS 25 2HG LYS 25 -6.577 -13.800 1.339 166 HD2 LYS 25 1HD LYS 25 -9.201 -13.700 2.686 167 HD3 LYS 25 2HD LYS 25 -9.227 -14.737 1.273 168 HE2 LYS 25 1HE LYS 25 -7.977 -16.335 2.308 169 HE3 LYS 25 2HE LYS 25 -6.773 -15.168 2.816 170 HZ1 LYS 25 1HZ LYS 25 -9.280 -15.835 4.179 171 HZ2 LYS 25 2HZ LYS 25 -7.757 -16.017 4.739 172 HZ3 LYS 25 3HZ LYS 25 -8.394 -14.522 4.576 173 H ALA 26 H ALA 26 -6.160 -10.621 -1.398 174 HA ALA 26 HA ALA 26 -8.900 -9.987 -2.258 175 HB1 ALA 26 1HB ALA 26 -7.508 -7.996 -2.339 176 HB2 ALA 26 2HB ALA 26 -6.229 -8.879 -3.208 177 HB3 ALA 26 3HB ALA 26 -7.790 -8.564 -4.002 178 H LYS 27 H LYS 27 -8.818 -10.225 -4.910 179 HA LYS 27 HA LYS 27 -8.471 -13.023 -5.272 180 HB2 LYS 27 1HB LYS 27 -9.118 -10.924 -7.358 181 HB3 LYS 27 2HB LYS 27 -9.428 -12.646 -7.451 182 HG2 LYS 27 1HG LYS 27 -10.591 -10.983 -5.187 183 HG3 LYS 27 2HG LYS 27 -11.389 -11.052 -6.746 184 HD2 LYS 27 1HD LYS 27 -10.817 -13.748 -6.189 185 HD3 LYS 27 2HD LYS 27 -11.253 -13.095 -4.623 186 HE2 LYS 27 1HE LYS 27 -12.940 -12.707 -7.141 187 HE3 LYS 27 2HE LYS 27 -13.212 -13.992 -5.981 188 HZ1 LYS 27 1HZ LYS 27 -13.747 -12.453 -4.342 189 HZ2 LYS 27 2HZ LYS 27 -13.128 -11.183 -5.160 190 HZ3 LYS 27 3HZ LYS 27 -14.508 -11.890 -5.672 191 H VAL 28 H VAL 28 -7.374 -13.672 -7.553 192 HA VAL 28 HA VAL 28 -4.608 -12.990 -7.166 193 HB VAL 28 HB VAL 28 -5.413 -15.289 -7.567 194 HG11 VAL 28 1HG1 VAL 28 -6.708 -15.892 -9.295 195 HG12 VAL 28 2HG1 VAL 28 -6.973 -14.152 -9.557 196 HG13 VAL 28 3HG1 VAL 28 -5.704 -15.006 -10.467 197 HG21 VAL 28 1HG2 VAL 28 -3.227 -13.936 -8.876 198 HG22 VAL 28 2HG2 VAL 28 -3.298 -15.585 -8.209 199 HG23 VAL 28 3HG2 VAL 28 -3.800 -15.282 -9.889 200 H SER 29 H SER 29 -7.282 -11.779 -8.974 201 HA SER 29 HA SER 29 -5.387 -10.294 -10.608 202 HB2 SER 29 1HB SER 29 -6.452 -12.018 -12.030 203 HB3 SER 29 2HB SER 29 -8.043 -11.470 -11.541 204 HG SER 29 HG SER 29 -7.134 -10.648 -13.664 205 H SER 30 H SER 30 -6.618 -9.626 -8.031 206 HA SER 30 HA SER 30 -8.827 -7.929 -8.623 207 HB2 SER 30 1HB SER 30 -7.935 -7.240 -6.073 208 HB3 SER 30 2HB SER 30 -9.157 -8.441 -6.442 209 HG SER 30 HG SER 30 -6.410 -8.797 -5.758 210 H ILE 31 H ILE 31 -8.805 -5.547 -8.184 211 HA ILE 31 HA ILE 31 -6.352 -4.405 -9.200 212 HB ILE 31 HB ILE 31 -7.743 -2.320 -9.249 213 HG12 ILE 31 1HG1 ILE 31 -10.111 -4.111 -8.707 214 HG13 ILE 31 2HG1 ILE 31 -9.316 -3.235 -7.414 215 HG21 ILE 31 1HG2 ILE 31 -8.789 -2.894 -11.266 216 HG22 ILE 31 2HG2 ILE 31 -7.417 -4.020 -11.134 217 HG23 ILE 31 3HG2 ILE 31 -9.064 -4.576 -10.753 218 HD11 ILE 31 1HD1 ILE 31 -10.932 -2.183 -9.714 219 HD12 ILE 31 2HD1 ILE 31 -10.867 -1.629 -8.023 220 HD13 ILE 31 3HD1 ILE 31 -9.568 -1.185 -9.156 221 H ALA 32 H ALA 32 -5.632 -2.239 -8.149 222 HA ALA 32 HA ALA 32 -4.889 -2.845 -5.491 223 HB1 ALA 32 1HB ALA 32 -3.467 -1.042 -5.728 224 HB2 ALA 32 2HB ALA 32 -3.791 -1.386 -7.444 225 HB3 ALA 32 3HB ALA 32 -4.666 -0.074 -6.619 226 H GLN 33 H GLN 33 -7.243 -0.561 -7.010 227 HA GLN 33 HA GLN 33 -7.980 0.889 -4.899 228 HB2 GLN 33 1HB GLN 33 -8.997 1.309 -7.022 229 HB3 GLN 33 2HB GLN 33 -9.645 -0.316 -7.134 230 HG2 GLN 33 1HG GLN 33 -11.579 0.518 -6.282 231 HG3 GLN 33 2HG GLN 33 -10.753 0.625 -4.741 232 HE21 GLN 33 1HE2 GLN 33 -9.551 2.587 -4.262 233 HE22 GLN 33 2HE2 GLN 33 -10.118 4.115 -4.849 234 H GLU 34 H GLU 34 -9.106 -2.462 -5.673 235 HA GLU 34 HA GLU 34 -10.973 -2.709 -3.712 236 HB2 GLU 34 1HB GLU 34 -9.126 -4.660 -5.095 237 HB3 GLU 34 2HB GLU 34 -10.135 -5.234 -3.782 238 HG2 GLU 34 1HG GLU 34 -12.121 -4.106 -5.020 239 HG3 GLU 34 2HG GLU 34 -11.040 -3.945 -6.390 240 H ILE 35 H ILE 35 -7.398 -3.177 -3.526 241 HA ILE 35 HA ILE 35 -7.414 -4.099 -0.864 242 HB ILE 35 HB ILE 35 -5.154 -2.716 -2.298 243 HG12 ILE 35 1HG1 ILE 35 -5.868 -4.279 -3.900 244 HG13 ILE 35 2HG1 ILE 35 -4.548 -5.065 -3.056 245 HG21 ILE 35 1HG2 ILE 35 -5.377 -3.845 0.262 246 HG22 ILE 35 2HG2 ILE 35 -4.473 -5.030 -0.710 247 HG23 ILE 35 3HG2 ILE 35 -3.892 -3.352 -0.587 248 HD11 ILE 35 1HD1 ILE 35 -6.074 -6.408 -1.729 249 HD12 ILE 35 2HD1 ILE 35 -7.476 -5.472 -2.304 250 HD13 ILE 35 3HD1 ILE 35 -6.591 -6.531 -3.428 251 H LEU 36 H LEU 36 -7.184 -0.858 -2.402 252 HA LEU 36 HA LEU 36 -6.447 0.609 -0.202 253 HB2 LEU 36 1HB LEU 36 -7.711 1.070 -2.788 254 HB3 LEU 36 2HB LEU 36 -8.258 2.204 -1.569 255 HG LEU 36 HG LEU 36 -5.551 1.858 -2.777 256 HD11 LEU 36 1HD1 LEU 36 -5.876 3.948 -3.472 257 HD12 LEU 36 2HD1 LEU 36 -7.560 3.760 -2.928 258 HD13 LEU 36 3HD1 LEU 36 -6.354 4.503 -1.850 259 HD21 LEU 36 1HD2 LEU 36 -4.744 1.577 -0.642 260 HD22 LEU 36 2HD2 LEU 36 -4.737 3.351 -0.782 261 HD23 LEU 36 3HD2 LEU 36 -6.049 2.533 0.100 262 H LYS 37 H LYS 37 -9.866 0.163 -1.367 263 HA LYS 37 HA LYS 37 -11.159 1.249 0.728 264 HB2 LYS 37 1HB LYS 37 -13.046 -0.182 0.148 265 HB3 LYS 37 2HB LYS 37 -12.251 0.421 -1.292 266 HG2 LYS 37 1HG LYS 37 -11.397 -1.669 -1.878 267 HG3 LYS 37 2HG LYS 37 -11.282 -2.214 -0.217 268 HD2 LYS 37 1HD LYS 37 -13.961 -2.034 -0.326 269 HD3 LYS 37 2HD LYS 37 -13.682 -2.198 -2.048 270 HE2 LYS 37 1HE LYS 37 -12.058 -4.202 -1.160 271 HE3 LYS 37 2HE LYS 37 -13.223 -4.190 0.150 272 HZ1 LYS 37 1HZ LYS 37 -14.922 -4.710 -1.275 273 HZ2 LYS 37 2HZ LYS 37 -14.156 -4.171 -2.613 274 HZ3 LYS 37 3HZ LYS 37 -13.695 -5.575 -1.918 275 H VAL 38 H VAL 38 -9.380 -1.825 0.647 276 HA VAL 38 HA VAL 38 -10.445 -2.675 3.177 277 HB VAL 38 HB VAL 38 -8.111 -3.710 1.555 278 HG11 VAL 38 1HG1 VAL 38 -8.754 -5.867 2.802 279 HG12 VAL 38 2HG1 VAL 38 -7.892 -4.608 3.719 280 HG13 VAL 38 3HG1 VAL 38 -9.651 -4.805 3.914 281 HG21 VAL 38 1HG2 VAL 38 -10.856 -3.702 0.890 282 HG22 VAL 38 2HG2 VAL 38 -9.545 -4.618 0.109 283 HG23 VAL 38 3HG2 VAL 38 -10.480 -5.355 1.432 284 H VAL 39 H VAL 39 -7.108 -1.818 1.999 285 HA VAL 39 HA VAL 39 -5.950 -1.646 4.483 286 HB VAL 39 HB VAL 39 -5.370 -0.090 1.955 287 HG11 VAL 39 1HG1 VAL 39 -4.255 0.234 4.535 288 HG12 VAL 39 2HG1 VAL 39 -3.046 -0.645 3.569 289 HG13 VAL 39 3HG1 VAL 39 -3.676 0.918 2.997 290 HG21 VAL 39 1HG2 VAL 39 -4.955 -2.880 2.759 291 HG22 VAL 39 2HG2 VAL 39 -4.879 -2.126 1.148 292 HG23 VAL 39 3HG2 VAL 39 -3.461 -2.074 2.223 293 H ALA 40 H ALA 40 -7.432 1.022 2.510 294 HA ALA 40 HA ALA 40 -7.052 3.156 4.031 295 HB1 ALA 40 1HB ALA 40 -9.425 2.138 2.495 296 HB2 ALA 40 2HB ALA 40 -9.611 3.625 3.457 297 HB3 ALA 40 3HB ALA 40 -8.379 3.542 2.175 298 H GLU 41 H GLU 41 -9.511 0.585 4.722 299 HA GLU 41 HA GLU 41 -10.310 1.863 7.110 300 HB2 GLU 41 1HB GLU 41 -10.766 -1.052 6.362 301 HB3 GLU 41 2HB GLU 41 -11.741 -0.062 7.430 302 HG2 GLU 41 1HG GLU 41 -11.441 1.148 4.753 303 HG3 GLU 41 2HG GLU 41 -12.167 -0.446 4.681 304 H LYS 42 H LYS 42 -8.305 -1.056 6.317 305 HA LYS 42 HA LYS 42 -7.747 -1.914 8.837 306 HB2 LYS 42 1HB LYS 42 -6.608 -2.197 6.179 307 HB3 LYS 42 2HB LYS 42 -5.353 -2.208 7.401 308 HG2 LYS 42 1HG LYS 42 -6.244 -4.496 6.985 309 HG3 LYS 42 2HG LYS 42 -6.505 -3.996 8.644 310 HD2 LYS 42 1HD LYS 42 -8.580 -4.968 7.928 311 HD3 LYS 42 2HD LYS 42 -8.852 -3.237 7.949 312 HE2 LYS 42 1HE LYS 42 -7.963 -3.510 5.379 313 HE3 LYS 42 2HE LYS 42 -8.658 -5.102 5.608 314 HZ1 LYS 42 1HZ LYS 42 -10.359 -3.100 6.625 315 HZ2 LYS 42 2HZ LYS 42 -10.011 -2.812 5.056 316 HZ3 LYS 42 3HZ LYS 42 -10.669 -4.240 5.497 317 H ILE 43 H ILE 43 -6.752 1.067 7.265 318 HA ILE 43 HA ILE 43 -4.904 1.569 9.489 319 HB ILE 43 HB ILE 43 -3.674 2.958 8.127 320 HG12 ILE 43 1HG1 ILE 43 -5.907 3.065 6.081 321 HG13 ILE 43 2HG1 ILE 43 -5.668 4.270 7.331 322 HG21 ILE 43 1HG2 ILE 43 -4.717 0.639 6.506 323 HG22 ILE 43 2HG2 ILE 43 -3.430 1.712 5.905 324 HG23 ILE 43 3HG2 ILE 43 -3.187 0.783 7.404 325 HD11 ILE 43 1HD1 ILE 43 -4.306 5.303 5.825 326 HD12 ILE 43 2HD1 ILE 43 -3.114 4.051 6.251 327 HD13 ILE 43 3HD1 ILE 43 -4.160 3.836 4.827 328 H GLN 44 H GLN 44 -7.952 2.402 7.975 329 HA GLN 44 HA GLN 44 -9.600 3.597 8.792 330 HB2 GLN 44 1HB GLN 44 -7.771 4.807 10.902 331 HB3 GLN 44 2HB GLN 44 -9.521 4.733 10.928 332 HG2 GLN 44 1HG GLN 44 -9.262 2.151 10.861 333 HG3 GLN 44 2HG GLN 44 -7.564 2.416 11.204 334 HE21 GLN 44 1HE2 GLN 44 -7.217 1.917 13.231 335 HE22 GLN 44 2HE2 GLN 44 -8.128 2.440 14.608 336 H TYR 45 H TYR 45 -8.544 4.445 6.539 337 HA TYR 45 HA TYR 45 -8.386 7.349 6.883 338 HB2 TYR 45 1HB TYR 45 -6.369 5.405 5.960 339 HB3 TYR 45 2HB TYR 45 -6.790 6.473 4.636 340 HD1 TYR 45 1HD TYR 45 -5.325 6.305 8.021 341 HD2 TYR 45 2HD TYR 45 -6.162 8.814 4.658 342 HE1 TYR 45 1HE TYR 45 -3.765 8.084 8.951 343 HE2 TYR 45 2HE TYR 45 -4.599 10.584 5.599 344 HH TYR 45 HH TYR 45 -2.897 10.885 7.063 345 H ALA 46 H ALA 46 -7.988 7.878 4.080 346 HA ALA 46 HA ALA 46 -10.509 6.803 3.011 347 HB1 ALA 46 1HB ALA 46 -9.312 9.519 2.379 348 HB2 ALA 46 2HB ALA 46 -10.966 8.940 2.067 349 HB3 ALA 46 3HB ALA 46 -10.437 9.266 3.735 350 H GLU 47 H GLU 47 -9.994 5.293 1.499 351 HA GLU 47 HA GLU 47 -7.598 4.939 0.339 352 HB2 GLU 47 1HB GLU 47 -9.021 3.877 -1.595 353 HB3 GLU 47 2HB GLU 47 -9.127 3.197 0.016 354 HG2 GLU 47 1HG GLU 47 -11.033 5.420 -0.412 355 HG3 GLU 47 2HG GLU 47 -11.282 4.092 -1.527 356 H GLU 48 H GLU 48 -10.250 7.126 -0.716 357 HA GLU 48 HA GLU 48 -9.202 7.759 -3.186 358 HB2 GLU 48 1HB GLU 48 -10.746 9.602 -3.181 359 HB3 GLU 48 2HB GLU 48 -11.517 8.301 -2.297 360 HG2 GLU 48 1HG GLU 48 -10.385 9.451 -0.179 361 HG3 GLU 48 2HG GLU 48 -10.296 10.855 -1.223 362 H ASP 49 H ASP 49 -8.203 8.654 0.056 363 HA ASP 49 HA ASP 49 -6.642 10.854 -0.989 364 HB2 ASP 49 1HB ASP 49 -7.084 9.831 1.855 365 HB3 ASP 49 2HB ASP 49 -6.089 11.218 1.460 366 H LEU 50 H LEU 50 -6.461 7.497 -0.507 367 HA LEU 50 HA LEU 50 -3.592 7.584 0.095 368 HB2 LEU 50 1HB LEU 50 -5.625 5.370 0.376 369 HB3 LEU 50 2HB LEU 50 -3.901 5.159 0.606 370 HG LEU 50 HG LEU 50 -5.705 6.961 2.245 371 HD11 LEU 50 1HD1 LEU 50 -6.134 4.630 2.717 372 HD12 LEU 50 2HD1 LEU 50 -4.393 4.312 2.906 373 HD13 LEU 50 3HD1 LEU 50 -5.237 5.360 4.071 374 HD21 LEU 50 1HD2 LEU 50 -2.725 6.495 2.326 375 HD22 LEU 50 2HD2 LEU 50 -3.617 8.033 2.241 376 HD23 LEU 50 3HD2 LEU 50 -3.637 7.075 3.741 377 H ALA 51 H ALA 51 -2.564 5.393 -1.013 378 HA ALA 51 HA ALA 51 -3.533 4.714 -3.550 379 HB1 ALA 51 1HB ALA 51 -1.424 5.969 -4.656 380 HB2 ALA 51 2HB ALA 51 -3.033 6.722 -4.548 381 HB3 ALA 51 3HB ALA 51 -1.778 7.128 -3.353 382 H LEU 52 H LEU 52 -2.316 2.987 -4.409 383 HA LEU 52 HA LEU 52 -0.443 1.867 -2.536 384 HB2 LEU 52 1HB LEU 52 -1.472 0.830 -5.181 385 HB3 LEU 52 2HB LEU 52 -0.513 -0.075 -4.027 386 HG LEU 52 HG LEU 52 -2.634 -0.842 -3.579 387 HD11 LEU 52 1HD1 LEU 52 -2.305 1.532 -1.725 388 HD12 LEU 52 2HD1 LEU 52 -3.411 0.164 -1.456 389 HD13 LEU 52 3HD1 LEU 52 -1.652 -0.108 -1.496 390 HD21 LEU 52 1HD2 LEU 52 -3.844 1.924 -3.732 391 HD22 LEU 52 2HD2 LEU 52 -3.700 0.844 -5.139 392 HD23 LEU 52 3HD2 LEU 52 -4.673 0.349 -3.733 393 H VAL 53 H VAL 53 1.680 2.345 -2.539 394 HA VAL 53 HA VAL 53 2.833 3.197 -5.103 395 HB VAL 53 HB VAL 53 3.194 4.052 -2.273 396 HG11 VAL 53 1HG1 VAL 53 5.426 3.206 -2.875 397 HG12 VAL 53 2HG1 VAL 53 5.417 4.223 -4.336 398 HG13 VAL 53 3HG1 VAL 53 5.415 4.980 -2.725 399 HG21 VAL 53 1HG2 VAL 53 3.706 6.219 -3.778 400 HG22 VAL 53 2HG2 VAL 53 2.746 5.283 -4.948 401 HG23 VAL 53 3HG2 VAL 53 2.056 5.698 -3.361 402 H ALA 54 H ALA 54 3.880 1.532 -6.067 403 HA ALA 54 HA ALA 54 5.222 -0.394 -4.309 404 HB1 ALA 54 1HB ALA 54 5.003 -1.959 -6.101 405 HB2 ALA 54 2HB ALA 54 3.436 -1.122 -5.988 406 HB3 ALA 54 3HB ALA 54 4.592 -0.677 -7.266 407 H ILE 55 H ILE 55 7.432 -0.563 -4.306 408 HA ILE 55 HA ILE 55 8.840 0.971 -6.377 409 HB ILE 55 HB ILE 55 9.741 0.725 -3.513 410 HG12 ILE 55 1HG1 ILE 55 7.878 2.718 -4.776 411 HG13 ILE 55 2HG1 ILE 55 7.758 1.913 -3.224 412 HG21 ILE 55 1HG2 ILE 55 11.427 1.209 -5.300 413 HG22 ILE 55 2HG2 ILE 55 10.536 2.708 -5.658 414 HG23 ILE 55 3HG2 ILE 55 11.276 2.474 -4.056 415 HD11 ILE 55 1HD1 ILE 55 9.625 3.229 -2.326 416 HD12 ILE 55 2HD1 ILE 55 9.910 3.963 -3.922 417 HD13 ILE 55 3HD1 ILE 55 8.415 4.330 -3.028 418 H THR 56 H THR 56 11.031 0.157 -6.872 419 HA THR 56 HA THR 56 11.149 -2.749 -6.413 420 HB THR 56 HB THR 56 10.804 -2.012 -8.778 421 HG1 THR 56 1HG THR 56 12.243 -3.847 -8.129 422 HG21 THR 56 1HG2 THR 56 12.557 -0.775 -9.952 423 HG22 THR 56 2HG2 THR 56 12.056 0.211 -8.558 424 HG23 THR 56 3HG2 THR 56 13.567 -0.727 -8.487 425 H PHE 57 H PHE 57 13.567 -3.552 -6.711 426 HA PHE 57 HA PHE 57 14.913 -2.901 -4.463 427 HB2 PHE 57 1HB PHE 57 15.393 -4.181 -7.096 428 HB3 PHE 57 2HB PHE 57 16.869 -3.476 -6.468 429 HD1 PHE 57 1HD PHE 57 17.071 -3.979 -3.756 430 HD2 PHE 57 2HD PHE 57 15.157 -6.419 -6.652 431 HE1 PHE 57 1HE PHE 57 17.403 -5.985 -2.285 432 HE2 PHE 57 2HE PHE 57 15.489 -8.426 -5.182 433 HZ PHE 57 HZ PHE 57 16.608 -8.185 -3.016 434 H SER 58 H SER 58 15.949 -1.764 -7.764 435 HA SER 58 HA SER 58 17.881 -0.099 -7.067 436 HB2 SER 58 1HB SER 58 16.094 -0.386 -9.310 437 HB3 SER 58 2HB SER 58 16.301 1.327 -9.007 438 HG SER 58 HG SER 58 18.535 -0.502 -9.165 439 H GLY 59 H GLY 59 14.393 0.922 -7.356 440 HA2 GLY 59 1HA GLY 59 13.601 2.138 -5.315 441 HA3 GLY 59 2HA GLY 59 15.008 3.161 -5.523 442 H GLU 60 H GLU 60 11.881 2.156 -6.949 443 HA GLU 60 HA GLU 60 11.855 4.715 -8.317 444 HB2 GLU 60 1HB GLU 60 11.468 1.989 -9.556 445 HB3 GLU 60 2HB GLU 60 10.556 3.342 -10.195 446 HG2 GLU 60 1HG GLU 60 12.761 4.619 -10.410 447 HG3 GLU 60 2HG GLU 60 13.594 3.144 -9.964 448 H LYS 61 H LYS 61 10.092 5.836 -7.619 449 HA LYS 61 HA LYS 61 8.043 4.484 -6.172 450 HB2 LYS 61 1HB LYS 61 8.701 7.323 -6.870 451 HB3 LYS 61 2HB LYS 61 7.076 6.946 -6.336 452 HG2 LYS 61 1HG LYS 61 9.090 5.613 -4.657 453 HG3 LYS 61 2HG LYS 61 9.335 7.348 -4.693 454 HD2 LYS 61 1HD LYS 61 6.710 7.453 -4.297 455 HD3 LYS 61 2HD LYS 61 6.907 5.801 -3.748 456 HE2 LYS 61 1HE LYS 61 7.272 6.887 -1.732 457 HE3 LYS 61 2HE LYS 61 8.921 6.870 -2.324 458 HZ1 LYS 61 1HZ LYS 61 7.212 9.091 -3.084 459 HZ2 LYS 61 2HZ LYS 61 7.814 9.060 -1.566 460 HZ3 LYS 61 3HZ LYS 61 8.827 9.062 -2.847 461 H HIS 62 H HIS 62 5.939 3.996 -6.784 462 HA HIS 62 HA HIS 62 5.031 4.873 -9.370 463 HB2 HIS 62 1HB HIS 62 6.259 2.294 -9.027 464 HB3 HIS 62 2HB HIS 62 4.555 2.071 -9.371 465 HD1 HIS 62 1HD HIS 62 7.184 4.489 -10.804 466 HD2 HIS 62 2HD HIS 62 4.292 1.720 -12.054 467 HE1 HIS 62 1HE HIS 62 7.222 4.518 -13.356 468 H GLU 63 H GLU 63 3.079 5.705 -8.821 469 HA GLU 63 HA GLU 63 1.676 4.511 -6.617 470 HB2 GLU 63 1HB GLU 63 1.848 6.974 -6.784 471 HB3 GLU 63 2HB GLU 63 1.038 6.948 -8.337 472 HG2 GLU 63 1HG GLU 63 -0.558 5.483 -6.390 473 HG3 GLU 63 2HG GLU 63 -0.163 7.065 -5.747 474 H LEU 64 H LEU 64 1.962 3.865 -9.885 475 HA LEU 64 HA LEU 64 0.592 3.080 -11.480 476 HB2 LEU 64 1HB LEU 64 -0.618 1.310 -9.409 477 HB3 LEU 64 2HB LEU 64 -0.034 0.925 -11.016 478 HG LEU 64 HG LEU 64 2.272 1.717 -9.687 479 HD11 LEU 64 1HD1 LEU 64 0.352 0.471 -7.761 480 HD12 LEU 64 2HD1 LEU 64 2.075 0.032 -7.669 481 HD13 LEU 64 3HD1 LEU 64 1.581 1.734 -7.504 482 HD21 LEU 64 1HD2 LEU 64 1.076 -0.788 -10.686 483 HD22 LEU 64 2HD2 LEU 64 2.681 -0.075 -10.977 484 HD23 LEU 64 3HD2 LEU 64 2.372 -0.993 -9.484 485 H GLN 65 H GLN 65 -2.064 1.805 -11.057 486 HA GLN 65 HA GLN 65 -3.570 4.253 -10.549 487 HB2 GLN 65 1HB GLN 65 -3.767 2.240 -12.788 488 HB3 GLN 65 2HB GLN 65 -5.225 3.061 -12.269 489 HG2 GLN 65 1HG GLN 65 -3.260 5.104 -12.448 490 HG3 GLN 65 2HG GLN 65 -2.991 4.094 -13.855 491 HE21 GLN 65 1HE2 GLN 65 -4.965 6.422 -12.346 492 HE22 GLN 65 2HE2 GLN 65 -6.201 6.574 -13.550 493 HA PRO 66 HA PRO 66 -6.079 1.876 -7.925 494 HB2 PRO 66 1HB PRO 66 -8.578 2.935 -8.244 495 HB3 PRO 66 2HB PRO 66 -7.331 3.696 -7.276 496 HG2 PRO 66 1HG PRO 66 -8.314 4.453 -9.959 497 HG3 PRO 66 2HG PRO 66 -7.401 5.414 -8.813 498 HD2 PRO 66 1HD PRO 66 -6.390 4.143 -11.177 499 HD3 PRO 66 2HD PRO 66 -5.457 5.006 -9.970 500 H ASN 67 H ASN 67 -6.235 1.457 -11.147 501 HA ASN 67 HA ASN 67 -8.211 -0.658 -10.801 502 HB2 ASN 67 1HB ASN 67 -7.965 -0.457 -13.518 503 HB3 ASN 67 2HB ASN 67 -9.131 0.475 -12.600 504 HD21 ASN 67 1HD2 ASN 67 -8.929 2.630 -12.388 505 HD22 ASN 67 2HD2 ASN 67 -7.700 3.596 -13.134 506 H ASP 68 H ASP 68 -4.928 -0.015 -10.869 507 HA ASP 68 HA ASP 68 -4.045 -1.948 -12.708 508 HB2 ASP 68 1HB ASP 68 -2.908 0.056 -11.012 509 HB3 ASP 68 2HB ASP 68 -2.147 -1.454 -10.551 510 H LEU 69 H LEU 69 -2.945 -4.027 -12.111 511 HA LEU 69 HA LEU 69 -4.369 -5.388 -10.044 512 HB2 LEU 69 1HB LEU 69 -2.268 -6.169 -12.051 513 HB3 LEU 69 2HB LEU 69 -2.798 -7.275 -10.799 514 HG LEU 69 HG LEU 69 -4.433 -6.102 -13.053 515 HD11 LEU 69 1HD1 LEU 69 -2.880 -8.337 -13.005 516 HD12 LEU 69 2HD1 LEU 69 -4.455 -8.999 -12.505 517 HD13 LEU 69 3HD1 LEU 69 -4.309 -8.114 -14.042 518 HD21 LEU 69 1HD2 LEU 69 -5.395 -7.552 -10.580 519 HD22 LEU 69 2HD2 LEU 69 -5.896 -5.958 -11.192 520 HD23 LEU 69 3HD2 LEU 69 -6.345 -7.433 -12.081 521 H VAL 70 H VAL 70 -3.545 -6.270 -8.102 522 HA VAL 70 HA VAL 70 -1.054 -4.976 -7.241 523 HB VAL 70 HB VAL 70 -2.212 -5.747 -4.949 524 HG11 VAL 70 1HG1 VAL 70 -3.113 -3.427 -4.781 525 HG12 VAL 70 2HG1 VAL 70 -1.447 -3.497 -5.402 526 HG13 VAL 70 3HG1 VAL 70 -2.803 -3.217 -6.521 527 HG21 VAL 70 1HG2 VAL 70 -4.547 -5.153 -6.799 528 HG22 VAL 70 2HG2 VAL 70 -4.173 -6.731 -6.066 529 HG23 VAL 70 3HG2 VAL 70 -4.630 -5.356 -5.032 530 H ILE 71 H ILE 71 -1.580 -7.588 -8.817 531 HA ILE 71 HA ILE 71 -0.107 -9.300 -6.941 532 HB ILE 71 HB ILE 71 -2.374 -10.007 -8.790 533 HG12 ILE 71 1HG1 ILE 71 -2.680 -11.274 -6.333 534 HG13 ILE 71 2HG1 ILE 71 -2.021 -9.709 -5.901 535 HG21 ILE 71 1HG2 ILE 71 -0.073 -11.658 -7.933 536 HG22 ILE 71 2HG2 ILE 71 -1.680 -12.394 -7.723 537 HG23 ILE 71 3HG2 ILE 71 -1.164 -11.829 -9.330 538 HD11 ILE 71 1HD1 ILE 71 -3.780 -8.559 -7.195 539 HD12 ILE 71 2HD1 ILE 71 -4.419 -10.127 -7.746 540 HD13 ILE 71 3HD1 ILE 71 -4.516 -9.681 -6.025 541 H SER 72 H SER 72 -1.033 -9.278 -10.456 542 HA SER 72 HA SER 72 0.190 -9.844 -12.197 543 HB2 SER 72 1HB SER 72 1.704 -8.125 -12.845 544 HB3 SER 72 2HB SER 72 0.572 -7.342 -11.760 545 HG SER 72 HG SER 72 2.103 -7.160 -10.192 546 H LYS 73 H LYS 73 0.638 -11.940 -10.701 547 HA LYS 73 HA LYS 73 3.099 -12.342 -9.538 548 HB2 LYS 73 1HB LYS 73 0.817 -13.909 -10.322 549 HB3 LYS 73 2HB LYS 73 2.277 -14.776 -10.752 550 HG2 LYS 73 1HG LYS 73 2.982 -13.870 -8.258 551 HG3 LYS 73 2HG LYS 73 1.248 -14.012 -8.049 552 HD2 LYS 73 1HD LYS 73 1.430 -16.261 -7.851 553 HD3 LYS 73 2HD LYS 73 2.132 -16.365 -9.453 554 HE2 LYS 73 1HE LYS 73 3.819 -15.551 -7.054 555 HE3 LYS 73 2HE LYS 73 3.540 -17.240 -7.430 556 HZ1 LYS 73 1HZ LYS 73 5.446 -15.703 -8.521 557 HZ2 LYS 73 2HZ LYS 73 4.921 -17.120 -9.140 558 HZ3 LYS 73 3HZ LYS 73 4.315 -15.711 -9.699 559 H SER 74 H SER 74 4.983 -11.710 -10.496 560 HA SER 74 HA SER 74 5.309 -12.372 -13.294 561 HB2 SER 74 1HB SER 74 7.586 -11.005 -12.098 562 HB3 SER 74 2HB SER 74 6.551 -10.484 -13.413 563 HG SER 74 HG SER 74 6.522 -9.076 -11.481 564 H LEU 75 H LEU 75 8.226 -12.470 -13.245 565 HA LEU 75 HA LEU 75 8.769 -14.769 -11.529 566 HB2 LEU 75 1HB LEU 75 9.829 -15.924 -13.460 567 HB3 LEU 75 2HB LEU 75 8.078 -15.846 -13.498 568 HG LEU 75 HG LEU 75 9.617 -13.744 -14.972 569 HD11 LEU 75 1HD1 LEU 75 10.627 -15.113 -16.391 570 HD12 LEU 75 2HD1 LEU 75 10.099 -16.500 -15.407 571 HD13 LEU 75 3HD1 LEU 75 9.085 -15.926 -16.752 572 HD21 LEU 75 1HD2 LEU 75 6.958 -15.135 -15.298 573 HD22 LEU 75 2HD2 LEU 75 7.290 -13.412 -14.995 574 HD23 LEU 75 3HD2 LEU 75 7.675 -14.128 -16.579 575 H GLU 76 H GLU 76 9.599 -12.349 -10.764 576 HA GLU 76 HA GLU 76 12.402 -12.603 -11.047 577 HB2 GLU 76 1HB GLU 76 10.978 -10.661 -12.725 578 HB3 GLU 76 2HB GLU 76 12.142 -9.871 -11.681 579 HG2 GLU 76 1HG GLU 76 13.650 -11.997 -12.525 580 HG3 GLU 76 2HG GLU 76 12.602 -11.809 -13.917 581 H ALA 77 H ALA 77 11.746 -13.012 -8.728 582 HA ALA 77 HA ALA 77 11.577 -12.395 -6.609 583 HB1 ALA 77 1HB ALA 77 12.909 -9.945 -7.805 584 HB2 ALA 77 2HB ALA 77 12.618 -10.110 -6.056 585 HB3 ALA 77 3HB ALA 77 13.659 -11.281 -6.900 586 H SER 78 H SER 78 10.682 -10.442 -5.091 587 HA SER 78 HA SER 78 8.301 -9.450 -6.450 588 HB2 SER 78 1HB SER 78 7.734 -11.373 -4.985 589 HB3 SER 78 2HB SER 78 8.487 -10.574 -3.620 590 HG SER 78 HG SER 78 6.056 -9.908 -4.989 591 H GLY 79 H GLY 79 7.568 -7.343 -5.782 592 HA2 GLY 79 1HA GLY 79 9.654 -5.754 -4.494 593 HA3 GLY 79 2HA GLY 79 8.282 -5.170 -5.415 594 H ARG 80 H ARG 80 8.268 -3.680 -3.387 595 HA ARG 80 HA ARG 80 6.546 -4.978 -1.436 596 HB2 ARG 80 1HB ARG 80 8.906 -3.122 -1.005 597 HB3 ARG 80 2HB ARG 80 7.592 -3.104 0.154 598 HG2 ARG 80 1HG ARG 80 8.334 -5.021 1.109 599 HG3 ARG 80 2HG ARG 80 8.265 -5.863 -0.426 600 HD2 ARG 80 1HD ARG 80 10.574 -3.979 0.161 601 HD3 ARG 80 2HD ARG 80 10.589 -5.606 0.810 602 HE ARG 80 HE ARG 80 9.953 -5.920 -1.903 603 HH11 ARG 80 2HH2 ARG 80 12.619 -4.537 -0.069 604 HH12 ARG 80 1HH2 ARG 80 13.800 -4.869 -1.292 605 HH21 ARG 80 2HH1 ARG 80 11.511 -6.358 -3.517 606 HH22 ARG 80 1HH1 ARG 80 13.166 -5.911 -3.266 607 H ILE 81 H ILE 81 4.516 -4.102 -1.719 608 HA ILE 81 HA ILE 81 4.229 -1.521 -2.928 609 HB ILE 81 HB ILE 81 2.341 -3.646 -1.952 610 HG12 ILE 81 1HG1 ILE 81 1.706 -3.297 -4.507 611 HG13 ILE 81 2HG1 ILE 81 3.336 -2.661 -4.599 612 HG21 ILE 81 1HG2 ILE 81 0.688 -1.954 -3.256 613 HG22 ILE 81 2HG2 ILE 81 0.895 -1.980 -1.488 614 HG23 ILE 81 3HG2 ILE 81 1.778 -0.786 -2.470 615 HD11 ILE 81 1HD1 ILE 81 3.173 -5.167 -3.036 616 HD12 ILE 81 2HD1 ILE 81 2.657 -5.351 -4.730 617 HD13 ILE 81 3HD1 ILE 81 4.280 -4.722 -4.357 618 H TYR 82 H TYR 82 3.275 0.355 -1.969 619 HA TYR 82 HA TYR 82 3.139 0.287 0.959 620 HB2 TYR 82 1HB TYR 82 4.535 2.303 -0.911 621 HB3 TYR 82 2HB TYR 82 4.383 2.527 0.821 622 HD1 TYR 82 2HD TYR 82 5.549 0.884 2.379 623 HD2 TYR 82 1HD TYR 82 6.307 1.015 -1.830 624 HE1 TYR 82 2HE TYR 82 7.736 -0.366 2.726 625 HE2 TYR 82 1HE TYR 82 8.492 -0.235 -1.468 626 HH TYR 82 HH TYR 82 9.334 -1.511 1.699 627 H VAL 83 H VAL 83 2.252 2.583 1.722 628 HA VAL 83 HA VAL 83 0.245 3.500 -0.201 629 HB VAL 83 HB VAL 83 -1.034 2.008 1.028 630 HG11 VAL 83 1HG1 VAL 83 -0.925 2.064 3.631 631 HG12 VAL 83 2HG1 VAL 83 0.338 1.196 2.726 632 HG13 VAL 83 3HG1 VAL 83 0.667 2.819 3.379 633 HG21 VAL 83 1HG2 VAL 83 -1.796 4.489 1.041 634 HG22 VAL 83 2HG2 VAL 83 -2.630 3.331 2.104 635 HG23 VAL 83 3HG2 VAL 83 -1.408 4.436 2.778 636 H TYR 84 H TYR 84 0.088 5.702 -0.287 637 HA TYR 84 HA TYR 84 1.362 7.178 1.917 638 HB2 TYR 84 1HB TYR 84 1.423 7.416 -1.144 639 HB3 TYR 84 2HB TYR 84 1.838 8.794 -0.144 640 HD1 TYR 84 1HD TYR 84 2.711 5.136 -0.267 641 HD2 TYR 84 2HD TYR 84 4.103 9.161 0.143 642 HE1 TYR 84 1HE TYR 84 5.105 4.298 -0.094 643 HE2 TYR 84 2HE TYR 84 6.492 8.309 0.314 644 HH TYR 84 HH TYR 84 7.167 4.839 0.400 645 H ARG 85 H ARG 85 0.623 9.522 2.008 646 HA ARG 85 HA ARG 85 -2.232 9.495 1.645 647 HB2 ARG 85 1HB ARG 85 -0.276 11.092 3.303 648 HB3 ARG 85 2HB ARG 85 -1.815 11.839 2.923 649 HG2 ARG 85 1HG ARG 85 -2.834 10.612 4.532 650 HG3 ARG 85 2HG ARG 85 -2.359 9.129 3.728 651 HD2 ARG 85 1HD ARG 85 -1.457 9.107 6.004 652 HD3 ARG 85 2HD ARG 85 -0.122 9.242 4.877 653 HE ARG 85 HE ARG 85 -1.085 11.859 5.707 654 HH11 ARG 85 2HH2 ARG 85 0.941 9.153 6.685 655 HH12 ARG 85 1HH2 ARG 85 1.939 10.111 7.727 656 HH21 ARG 85 2HH1 ARG 85 0.232 13.124 7.082 657 HH22 ARG 85 1HH1 ARG 85 1.533 12.385 7.954 658 H LYS 86 H LYS 86 -3.374 11.101 0.412 659 HA LYS 86 HA LYS 86 -1.647 12.544 -1.464 660 HB2 LYS 86 1HB LYS 86 -4.450 11.441 -1.668 661 HB3 LYS 86 2HB LYS 86 -3.865 12.660 -2.781 662 HG2 LYS 86 1HG LYS 86 -1.801 11.077 -3.116 663 HG3 LYS 86 2HG LYS 86 -2.790 9.849 -2.351 664 HD2 LYS 86 1HD LYS 86 -3.476 9.462 -4.515 665 HD3 LYS 86 2HD LYS 86 -4.604 10.755 -4.156 666 HE2 LYS 86 1HE LYS 86 -2.149 12.004 -4.972 667 HE3 LYS 86 2HE LYS 86 -2.464 10.714 -6.116 668 HZ1 LYS 86 1HZ LYS 86 -4.647 12.476 -5.346 669 HZ2 LYS 86 2HZ LYS 86 -3.548 13.002 -6.433 670 HZ3 LYS 86 3HZ LYS 86 -4.425 11.660 -6.743 671 H ASP 87 H ASP 87 -1.600 14.746 -1.487 672 HA ASP 87 HA ASP 87 -3.690 16.070 0.046 673 HB2 ASP 87 1HB ASP 87 -2.062 17.567 1.050 674 HB3 ASP 87 2HB ASP 87 -1.542 15.922 1.357 675 H LEU 88 H LEU 88 -1.907 18.616 -0.500 676 HA LEU 88 HA LEU 88 -2.960 19.059 -3.175 677 HB2 LEU 88 1HB LEU 88 -1.743 21.015 -1.222 678 HB3 LEU 88 2HB LEU 88 -2.580 21.403 -2.712 679 HG LEU 88 HG LEU 88 -3.964 21.804 -0.726 680 HD11 LEU 88 1HD1 LEU 88 -4.790 20.829 -3.064 681 HD12 LEU 88 2HD1 LEU 88 -5.337 19.498 -2.017 682 HD13 LEU 88 3HD1 LEU 88 -5.905 21.157 -1.716 683 HD21 LEU 88 1HD2 LEU 88 -2.892 19.839 0.550 684 HD22 LEU 88 2HD2 LEU 88 -4.621 20.175 0.806 685 HD23 LEU 88 3HD2 LEU 88 -4.122 18.834 -0.253 686 H ALA 89 H ALA 89 -0.744 17.216 -2.891 687 HA ALA 89 HA ALA 89 1.108 18.601 -4.630 688 HB1 ALA 89 1HB ALA 89 1.659 18.347 -1.869 689 HB2 ALA 89 2HB ALA 89 2.627 17.087 -2.673 690 HB3 ALA 89 3HB ALA 89 2.800 18.790 -3.162 691 H ASP 90 H ASP 90 1.157 17.290 -6.381 692 HA ASP 90 HA ASP 90 0.122 14.890 -6.648 693 HB2 ASP 90 1HB ASP 90 1.075 16.040 -8.550 694 HB3 ASP 90 2HB ASP 90 2.685 16.000 -7.859 695 H THR 91 H THR 91 3.570 15.574 -5.693 696 HA THR 91 HA THR 91 4.508 13.015 -5.453 697 HB THR 91 HB THR 91 5.195 15.154 -3.413 698 HG1 THR 91 1HG THR 91 5.817 15.062 -6.280 699 HG21 THR 91 1HG2 THR 91 6.646 13.140 -3.528 700 HG22 THR 91 2HG2 THR 91 6.815 13.349 -5.287 701 HG23 THR 91 3HG2 THR 91 7.518 14.549 -4.177 702 H LEU 92 H LEU 92 4.939 11.662 -3.533 703 HA LEU 92 HA LEU 92 2.655 11.798 -1.689 704 HB2 LEU 92 1HB LEU 92 3.847 9.523 -3.211 705 HB3 LEU 92 2HB LEU 92 3.187 9.212 -1.617 706 HG LEU 92 HG LEU 92 1.644 10.488 -3.893 707 HD11 LEU 92 1HD1 LEU 92 2.222 7.680 -3.261 708 HD12 LEU 92 2HD1 LEU 92 0.488 8.042 -3.440 709 HD13 LEU 92 3HD1 LEU 92 1.618 8.427 -4.760 710 HD21 LEU 92 1HD2 LEU 92 -0.010 9.279 -1.899 711 HD22 LEU 92 2HD2 LEU 92 1.132 10.387 -1.102 712 HD23 LEU 92 3HD2 LEU 92 0.078 10.983 -2.406 713 H ASN 93 H ASN 93 3.072 11.551 0.506 714 HA ASN 93 HA ASN 93 5.912 11.555 1.131 715 HB2 ASN 93 1HB ASN 93 3.453 12.695 2.523 716 HB3 ASN 93 2HB ASN 93 4.933 12.439 3.426 717 HD21 ASN 93 1HD2 ASN 93 4.219 13.521 0.106 718 HD22 ASN 93 2HD2 ASN 93 5.097 15.013 0.168 719 HA PRO 94 HA PRO 94 5.230 7.777 3.257 720 HB2 PRO 94 1HB PRO 94 7.371 7.727 4.954 721 HB3 PRO 94 2HB PRO 94 7.478 7.278 3.264 722 HG2 PRO 94 1HG PRO 94 8.409 9.752 4.586 723 HG3 PRO 94 2HG PRO 94 8.870 9.101 3.025 724 HD2 PRO 94 1HD PRO 94 7.079 11.288 3.512 725 HD3 PRO 94 2HD PRO 94 7.450 10.562 1.960 726 H PHE 95 H PHE 95 4.879 6.682 5.392 727 HA PHE 95 HA PHE 95 3.323 8.550 6.950 728 HB2 PHE 95 1HB PHE 95 3.595 5.626 6.432 729 HB3 PHE 95 2HB PHE 95 3.327 5.970 8.129 730 HD1 PHE 95 1HD PHE 95 1.922 6.554 4.745 731 HD2 PHE 95 2HD PHE 95 1.176 6.474 8.922 732 HE1 PHE 95 1HE PHE 95 -0.539 6.785 4.310 733 HE2 PHE 95 2HE PHE 95 -1.285 6.704 8.487 734 HZ PHE 95 HZ PHE 95 -2.114 6.857 6.186 735 H ALA 96 H ALA 96 3.402 7.669 9.511 736 HA ALA 96 HA ALA 96 6.236 7.947 10.248 737 HB1 ALA 96 1HB ALA 96 5.591 9.383 12.037 738 HB2 ALA 96 2HB ALA 96 4.701 9.968 10.611 739 HB3 ALA 96 3HB ALA 96 3.868 8.984 11.838 740 H GLU 97 H GLU 97 6.090 7.438 12.947 741 HA GLU 97 HA GLU 97 6.077 5.808 14.381 742 HB2 GLU 97 1HB GLU 97 3.368 5.486 13.107 743 HB3 GLU 97 2HB GLU 97 3.905 4.238 14.213 744 HG2 GLU 97 1HG GLU 97 4.512 6.251 15.812 745 HG3 GLU 97 2HG GLU 97 3.450 7.185 14.777 746 H ASN 98 H ASN 98 5.995 3.255 14.652 747 HA ASN 98 HA ASN 98 6.438 1.887 12.179 748 HB2 ASN 98 1HB ASN 98 8.666 2.993 13.552 749 HB3 ASN 98 2HB ASN 98 8.673 1.301 14.007 750 HD21 ASN 98 1HD2 ASN 98 10.690 2.381 12.520 751 HD22 ASN 98 2HD2 ASN 98 10.681 1.751 10.907 752 H SER 99 H SER 99 6.751 -0.547 12.654 753 HA SER 99 HA SER 99 6.223 -2.389 13.673 754 HB2 SER 99 1HB SER 99 7.503 -0.901 15.680 755 HB3 SER 99 2HB SER 99 6.037 -1.459 16.461 756 HG SER 99 HG SER 99 7.751 -3.238 14.962 757 H GLY 100 H GLY 100 4.135 -2.978 13.176 758 HA2 GLY 100 1HA GLY 100 1.953 -1.576 14.597 759 HA3 GLY 100 2HA GLY 100 1.836 -2.265 12.990 760 HA PRO 101 HA PRO 101 0.653 -5.385 16.211 761 HB2 PRO 101 1HB PRO 101 -2.074 -5.242 16.124 762 HB3 PRO 101 2HB PRO 101 -1.111 -4.433 17.344 763 HG2 PRO 101 1HG PRO 101 -2.484 -3.273 14.997 764 HG3 PRO 101 2HG PRO 101 -1.890 -2.463 16.432 765 HD2 PRO 101 1HD PRO 101 -0.665 -2.478 13.839 766 HD3 PRO 101 2HD PRO 101 -0.013 -1.766 15.302 767 H SER 102 H SER 102 1.525 -6.984 14.950 768 HA SER 102 HA SER 102 -0.475 -8.295 13.390 769 HB2 SER 102 1HB SER 102 1.120 -8.446 11.375 770 HB3 SER 102 2HB SER 102 0.286 -6.922 11.608 771 HG SER 102 HG SER 102 2.912 -7.374 12.713 772 H SER 103 H SER 103 -0.003 -10.551 13.147 773 HA SER 103 HA SER 103 0.851 -12.458 13.737 774 HB2 SER 103 1HB SER 103 2.868 -11.130 12.372 775 HB3 SER 103 2HB SER 103 3.695 -11.619 13.837 776 HG SER 103 HG SER 103 2.361 -13.785 13.176 777 H GLY 104 H GLY 104 0.279 -12.949 15.844 778 HA2 GLY 104 1HA GLY 104 1.667 -13.450 17.918 779 HA3 GLY 104 2HA GLY 104 1.855 -11.710 18.009 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -16.785 -7.889 7.504 2 HA2 GLY 1 1HA GLY 1 -15.853 -9.533 5.240 3 HA3 GLY 1 2HA GLY 1 -15.999 -10.049 6.909 4 H SER 2 H SER 2 -17.499 -10.030 3.843 5 HA SER 2 HA SER 2 -19.861 -11.168 5.040 6 HB2 SER 2 1HB SER 2 -20.358 -8.728 4.640 7 HB3 SER 2 2HB SER 2 -20.031 -8.967 2.935 8 HG SER 2 HG SER 2 -22.352 -9.101 3.669 9 H SER 3 H SER 3 -18.360 -10.116 1.891 10 HA SER 3 HA SER 3 -19.027 -12.774 0.892 11 HB2 SER 3 1HB SER 3 -19.006 -11.750 -1.383 12 HB3 SER 3 2HB SER 3 -20.221 -11.036 -0.342 13 HG SER 3 HG SER 3 -17.634 -9.824 -0.412 14 H GLY 4 H GLY 4 -17.421 -13.520 -0.913 15 HA2 GLY 4 1HA GLY 4 -15.331 -14.044 -1.549 16 HA3 GLY 4 2HA GLY 4 -14.845 -12.420 -1.104 17 H SER 5 H SER 5 -13.607 -15.224 -0.690 18 HA SER 5 HA SER 5 -12.370 -14.683 1.687 19 HB2 SER 5 1HB SER 5 -14.955 -15.750 2.157 20 HB3 SER 5 2HB SER 5 -13.856 -17.087 2.432 21 HG SER 5 HG SER 5 -12.779 -15.927 4.036 22 H SER 6 H SER 6 -13.832 -17.633 0.116 23 HA SER 6 HA SER 6 -11.248 -18.878 0.185 24 HB2 SER 6 1HB SER 6 -13.972 -19.838 -0.789 25 HB3 SER 6 2HB SER 6 -12.527 -20.827 -0.837 26 HG SER 6 HG SER 6 -12.463 -20.100 1.621 27 H GLY 7 H GLY 7 -10.744 -20.228 -2.003 28 HA2 GLY 7 1HA GLY 7 -10.116 -20.154 -4.159 29 HA3 GLY 7 2HA GLY 7 -11.536 -19.180 -4.481 30 H GLU 8 H GLU 8 -8.758 -18.942 -5.582 31 HA GLU 8 HA GLU 8 -7.381 -17.368 -6.165 32 HB2 GLU 8 1HB GLU 8 -9.315 -15.436 -4.810 33 HB3 GLU 8 2HB GLU 8 -8.024 -14.968 -5.898 34 HG2 GLU 8 1HG GLU 8 -9.844 -15.065 -7.372 35 HG3 GLU 8 2HG GLU 8 -9.153 -16.662 -7.582 36 H GLU 9 H GLU 9 -6.428 -18.764 -4.117 37 HA GLU 9 HA GLU 9 -6.013 -17.394 -1.750 38 HB2 GLU 9 1HB GLU 9 -4.729 -19.738 -3.133 39 HB3 GLU 9 2HB GLU 9 -3.888 -19.042 -1.762 40 HG2 GLU 9 1HG GLU 9 -5.840 -19.373 -0.313 41 HG3 GLU 9 2HG GLU 9 -6.824 -19.874 -1.673 42 H ILE 10 H ILE 10 -5.162 -15.334 -1.743 43 HA ILE 10 HA ILE 10 -2.434 -15.000 -2.312 44 HB ILE 10 HB ILE 10 -3.554 -15.057 -4.635 45 HG12 ILE 10 1HG1 ILE 10 -2.014 -12.579 -4.595 46 HG13 ILE 10 2HG1 ILE 10 -1.277 -13.817 -3.597 47 HG21 ILE 10 1HG2 ILE 10 -4.011 -12.173 -4.517 48 HG22 ILE 10 2HG2 ILE 10 -4.983 -13.464 -5.263 49 HG23 ILE 10 3HG2 ILE 10 -5.164 -13.103 -3.530 50 HD11 ILE 10 1HD1 ILE 10 -1.064 -15.341 -5.406 51 HD12 ILE 10 2HD1 ILE 10 -2.273 -14.479 -6.388 52 HD13 ILE 10 3HD1 ILE 10 -0.664 -13.765 -6.129 53 H PHE 11 H PHE 11 -1.689 -12.842 -1.670 54 HA PHE 11 HA PHE 11 -3.770 -11.284 -0.325 55 HB2 PHE 11 1HB PHE 11 -1.181 -12.537 0.687 56 HB3 PHE 11 2HB PHE 11 -1.698 -11.022 1.401 57 HD1 PHE 11 2HD PHE 11 -2.717 -14.535 0.834 58 HD2 PHE 11 1HD PHE 11 -3.412 -10.968 3.025 59 HE1 PHE 11 2HE PHE 11 -4.238 -15.787 2.389 60 HE2 PHE 11 1HE PHE 11 -4.933 -12.220 4.581 61 HZ PHE 11 HZ PHE 11 -5.328 -14.615 4.244 62 H CYS 12 H CYS 12 -3.333 -9.020 -0.153 63 HA CYS 12 HA CYS 12 -1.136 -8.182 -1.897 64 HB2 CYS 12 1HB CYS 12 -3.183 -7.509 -2.890 65 HB3 CYS 12 2HB CYS 12 -3.850 -6.961 -1.365 66 HG CYS 12 HG CYS 12 -2.935 -5.123 -3.341 67 H HIS 13 H HIS 13 0.523 -8.033 -0.313 68 HA HIS 13 HA HIS 13 0.025 -6.871 2.217 69 HB2 HIS 13 1HB HIS 13 2.555 -7.597 0.726 70 HB3 HIS 13 2HB HIS 13 2.568 -6.906 2.337 71 HD1 HIS 13 1HD HIS 13 2.135 -10.094 0.520 72 HD2 HIS 13 2HD HIS 13 1.316 -8.610 4.357 73 HE1 HIS 13 1HE HIS 13 1.717 -12.130 2.000 74 H VAL 14 H VAL 14 -0.205 -4.750 2.699 75 HA VAL 14 HA VAL 14 0.960 -2.839 0.793 76 HB VAL 14 HB VAL 14 -1.560 -2.770 2.447 77 HG11 VAL 14 1HG1 VAL 14 -1.792 -0.425 1.352 78 HG12 VAL 14 2HG1 VAL 14 -0.780 -0.600 2.806 79 HG13 VAL 14 3HG1 VAL 14 -0.021 -0.498 1.199 80 HG21 VAL 14 1HG2 VAL 14 -2.373 -3.578 0.515 81 HG22 VAL 14 2HG2 VAL 14 -2.143 -1.930 -0.115 82 HG23 VAL 14 3HG2 VAL 14 -0.893 -3.168 -0.386 83 H TYR 15 H TYR 15 2.951 -2.402 1.701 84 HA TYR 15 HA TYR 15 3.294 -2.220 4.518 85 HB2 TYR 15 1HB TYR 15 4.803 -1.659 1.927 86 HB3 TYR 15 2HB TYR 15 5.486 -1.032 3.414 87 HD1 TYR 15 2HD TYR 15 3.711 -4.279 2.860 88 HD2 TYR 15 1HD TYR 15 7.412 -2.327 3.751 89 HE1 TYR 15 2HE TYR 15 4.796 -6.531 3.317 90 HE2 TYR 15 1HE TYR 15 8.485 -4.587 4.206 91 HH TYR 15 HH TYR 15 8.050 -6.732 4.621 92 H ILE 16 H ILE 16 2.336 -0.604 5.675 93 HA ILE 16 HA ILE 16 1.687 1.887 4.533 94 HB ILE 16 HB ILE 16 1.902 1.107 7.442 95 HG12 ILE 16 1HG1 ILE 16 -0.671 1.062 5.906 96 HG13 ILE 16 2HG1 ILE 16 0.428 -0.294 5.745 97 HG21 ILE 16 1HG2 ILE 16 0.346 2.901 7.862 98 HG22 ILE 16 2HG2 ILE 16 1.765 3.543 7.001 99 HG23 ILE 16 3HG2 ILE 16 0.241 3.270 6.124 100 HD11 ILE 16 1HD1 ILE 16 -0.783 0.786 8.327 101 HD12 ILE 16 2HD1 ILE 16 -1.083 -0.797 7.571 102 HD13 ILE 16 3HD1 ILE 16 0.507 -0.440 8.287 103 H THR 17 H THR 17 4.234 0.903 6.932 104 HA THR 17 HA THR 17 5.745 3.273 6.046 105 HB THR 17 HB THR 17 6.351 3.671 8.313 106 HG1 THR 17 1HG THR 17 5.450 0.893 8.542 107 HG21 THR 17 1HG2 THR 17 3.844 4.001 8.032 108 HG22 THR 17 2HG2 THR 17 3.612 2.328 8.594 109 HG23 THR 17 3HG2 THR 17 4.314 3.546 9.687 110 H GLU 18 H GLU 18 7.880 2.098 7.999 111 HA GLU 18 HA GLU 18 9.075 0.516 5.906 112 HB2 GLU 18 1HB GLU 18 10.253 2.453 7.119 113 HB3 GLU 18 2HB GLU 18 10.346 1.411 8.524 114 HG2 GLU 18 1HG GLU 18 12.313 0.681 7.626 115 HG3 GLU 18 2HG GLU 18 11.308 -0.277 6.557 116 H HIS 19 H HIS 19 7.754 0.239 9.196 117 HA HIS 19 HA HIS 19 8.292 -2.635 9.039 118 HB2 HIS 19 1HB HIS 19 8.287 -1.029 11.603 119 HB3 HIS 19 2HB HIS 19 8.695 -2.721 11.406 120 HD1 HIS 19 1HD HIS 19 10.972 -3.220 10.002 121 HD2 HIS 19 2HD HIS 19 10.402 0.725 11.308 122 HE1 HIS 19 1HE HIS 19 13.251 -2.082 9.856 123 H SER 20 H SER 20 5.991 -1.169 8.028 124 HA SER 20 HA SER 20 4.019 -2.402 9.757 125 HB2 SER 20 1HB SER 20 3.363 0.266 8.509 126 HB3 SER 20 2HB SER 20 2.639 -0.505 9.907 127 HG SER 20 HG SER 20 3.959 0.687 11.086 128 H TYR 21 H TYR 21 2.320 -3.396 8.602 129 HA TYR 21 HA TYR 21 1.869 -2.731 5.848 130 HB2 TYR 21 1HB TYR 21 2.766 -4.777 4.953 131 HB3 TYR 21 2HB TYR 21 3.969 -4.344 6.152 132 HD1 TYR 21 2HD TYR 21 3.983 -5.509 8.380 133 HD2 TYR 21 1HD TYR 21 1.452 -6.769 5.169 134 HE1 TYR 21 2HE TYR 21 3.652 -7.760 9.514 135 HE2 TYR 21 1HE TYR 21 1.130 -9.016 6.314 136 HH TYR 21 HH TYR 21 1.238 -9.806 8.786 137 H VAL 22 H VAL 22 0.236 -4.464 4.895 138 HA VAL 22 HA VAL 22 -1.414 -5.584 7.015 139 HB VAL 22 HB VAL 22 -2.643 -3.849 4.887 140 HG11 VAL 22 1HG1 VAL 22 -3.644 -5.572 6.922 141 HG12 VAL 22 2HG1 VAL 22 -4.050 -3.901 7.383 142 HG13 VAL 22 3HG1 VAL 22 -4.557 -4.535 5.799 143 HG21 VAL 22 1HG2 VAL 22 -2.803 -2.046 6.611 144 HG22 VAL 22 2HG2 VAL 22 -1.686 -2.981 7.633 145 HG23 VAL 22 3HG2 VAL 22 -1.142 -2.363 6.055 146 H SER 23 H SER 23 -2.312 -7.530 6.424 147 HA SER 23 HA SER 23 -1.610 -8.410 3.767 148 HB2 SER 23 1HB SER 23 -1.783 -9.636 6.368 149 HB3 SER 23 2HB SER 23 -2.906 -10.470 5.312 150 HG SER 23 HG SER 23 -1.198 -10.898 3.831 151 H VAL 24 H VAL 24 -3.174 -7.601 2.337 152 HA VAL 24 HA VAL 24 -5.970 -7.910 3.091 153 HB VAL 24 HB VAL 24 -4.619 -6.530 0.763 154 HG11 VAL 24 1HG1 VAL 24 -6.701 -5.749 0.040 155 HG12 VAL 24 2HG1 VAL 24 -7.022 -7.451 0.451 156 HG13 VAL 24 3HG1 VAL 24 -7.500 -6.158 1.577 157 HG21 VAL 24 1HG2 VAL 24 -4.517 -4.647 1.989 158 HG22 VAL 24 2HG2 VAL 24 -6.121 -4.917 2.712 159 HG23 VAL 24 3HG2 VAL 24 -4.690 -5.726 3.395 160 H LYS 25 H LYS 25 -7.087 -9.692 2.506 161 HA LYS 25 HA LYS 25 -5.889 -11.447 0.534 162 HB2 LYS 25 1HB LYS 25 -6.832 -12.137 2.841 163 HB3 LYS 25 2HB LYS 25 -8.413 -11.966 2.105 164 HG2 LYS 25 1HG LYS 25 -7.662 -13.538 0.256 165 HG3 LYS 25 2HG LYS 25 -6.158 -13.778 1.123 166 HD2 LYS 25 1HD LYS 25 -7.537 -14.531 3.141 167 HD3 LYS 25 2HD LYS 25 -8.961 -14.462 2.122 168 HE2 LYS 25 1HE LYS 25 -7.683 -16.035 0.494 169 HE3 LYS 25 2HE LYS 25 -6.533 -16.272 1.794 170 HZ1 LYS 25 1HZ LYS 25 -9.028 -16.578 2.896 171 HZ2 LYS 25 2HZ LYS 25 -9.067 -17.406 1.489 172 HZ3 LYS 25 3HZ LYS 25 -7.926 -17.748 2.607 173 H ALA 26 H ALA 26 -6.204 -10.630 -1.513 174 HA ALA 26 HA ALA 26 -8.990 -9.992 -2.202 175 HB1 ALA 26 1HB ALA 26 -6.582 -8.516 -2.524 176 HB2 ALA 26 2HB ALA 26 -7.057 -9.076 -4.146 177 HB3 ALA 26 3HB ALA 26 -8.196 -8.124 -3.164 178 H LYS 27 H LYS 27 -9.118 -10.279 -4.844 179 HA LYS 27 HA LYS 27 -8.765 -13.111 -5.170 180 HB2 LYS 27 1HB LYS 27 -9.895 -11.077 -7.113 181 HB3 LYS 27 2HB LYS 27 -10.076 -12.818 -7.187 182 HG2 LYS 27 1HG LYS 27 -10.923 -11.481 -4.631 183 HG3 LYS 27 2HG LYS 27 -11.927 -11.195 -6.038 184 HD2 LYS 27 1HD LYS 27 -12.086 -13.689 -6.395 185 HD3 LYS 27 2HD LYS 27 -11.148 -13.937 -4.936 186 HE2 LYS 27 1HE LYS 27 -13.595 -12.186 -4.737 187 HE3 LYS 27 2HE LYS 27 -13.846 -13.912 -4.909 188 HZ1 LYS 27 1HZ LYS 27 -13.633 -13.693 -2.675 189 HZ2 LYS 27 2HZ LYS 27 -12.074 -14.002 -3.048 190 HZ3 LYS 27 3HZ LYS 27 -12.553 -12.470 -2.746 191 H VAL 28 H VAL 28 -7.980 -13.811 -7.521 192 HA VAL 28 HA VAL 28 -5.252 -12.961 -7.634 193 HB VAL 28 HB VAL 28 -5.170 -14.632 -9.494 194 HG11 VAL 28 1HG1 VAL 28 -6.413 -15.646 -6.915 195 HG12 VAL 28 2HG1 VAL 28 -5.389 -16.568 -8.041 196 HG13 VAL 28 3HG1 VAL 28 -4.701 -15.206 -7.125 197 HG21 VAL 28 1HG2 VAL 28 -7.028 -15.947 -10.097 198 HG22 VAL 28 2HG2 VAL 28 -7.994 -15.377 -8.715 199 HG23 VAL 28 3HG2 VAL 28 -7.649 -14.279 -10.073 200 H SER 29 H SER 29 -8.162 -11.693 -8.811 201 HA SER 29 HA SER 29 -6.668 -10.324 -10.904 202 HB2 SER 29 1HB SER 29 -9.622 -10.721 -11.269 203 HB3 SER 29 2HB SER 29 -8.361 -10.582 -12.479 204 HG SER 29 HG SER 29 -8.314 -12.711 -12.568 205 H SER 30 H SER 30 -7.501 -9.830 -7.955 206 HA SER 30 HA SER 30 -9.477 -7.826 -8.088 207 HB2 SER 30 1HB SER 30 -7.883 -9.176 -6.050 208 HB3 SER 30 2HB SER 30 -7.928 -7.453 -5.735 209 HG SER 30 HG SER 30 -10.294 -9.028 -6.285 210 H ILE 31 H ILE 31 -9.200 -5.510 -7.875 211 HA ILE 31 HA ILE 31 -6.683 -4.610 -9.005 212 HB ILE 31 HB ILE 31 -7.971 -2.423 -9.128 213 HG12 ILE 31 1HG1 ILE 31 -10.390 -4.171 -8.643 214 HG13 ILE 31 2HG1 ILE 31 -9.664 -3.202 -7.376 215 HG21 ILE 31 1HG2 ILE 31 -8.651 -2.957 -11.228 216 HG22 ILE 31 2HG2 ILE 31 -7.674 -4.406 -10.888 217 HG23 ILE 31 3HG2 ILE 31 -9.444 -4.466 -10.716 218 HD11 ILE 31 1HD1 ILE 31 -11.294 -2.352 -9.698 219 HD12 ILE 31 2HD1 ILE 31 -11.036 -1.544 -8.134 220 HD13 ILE 31 3HD1 ILE 31 -9.839 -1.360 -9.438 221 H ALA 32 H ALA 32 -5.803 -2.451 -8.093 222 HA ALA 32 HA ALA 32 -4.995 -2.911 -5.467 223 HB1 ALA 32 1HB ALA 32 -3.678 -1.038 -5.789 224 HB2 ALA 32 2HB ALA 32 -4.056 -1.438 -7.481 225 HB3 ALA 32 3HB ALA 32 -4.958 -0.150 -6.648 226 H GLN 33 H GLN 33 -7.544 -0.774 -6.876 227 HA GLN 33 HA GLN 33 -8.207 0.633 -4.674 228 HB2 GLN 33 1HB GLN 33 -9.301 1.192 -6.697 229 HB3 GLN 33 2HB GLN 33 -9.845 -0.451 -6.976 230 HG2 GLN 33 1HG GLN 33 -11.764 -0.103 -5.809 231 HG3 GLN 33 2HG GLN 33 -10.887 0.524 -4.427 232 HE21 GLN 33 1HE2 GLN 33 -9.858 2.759 -4.873 233 HE22 GLN 33 2HE2 GLN 33 -10.904 3.955 -5.565 234 H GLU 34 H GLU 34 -9.239 -2.711 -5.561 235 HA GLU 34 HA GLU 34 -11.062 -3.032 -3.521 236 HB2 GLU 34 1HB GLU 34 -9.347 -4.968 -5.107 237 HB3 GLU 34 2HB GLU 34 -10.422 -5.552 -3.852 238 HG2 GLU 34 1HG GLU 34 -11.752 -3.613 -5.634 239 HG3 GLU 34 2HG GLU 34 -11.128 -4.994 -6.514 240 H ILE 35 H ILE 35 -7.646 -2.638 -3.383 241 HA ILE 35 HA ILE 35 -7.502 -4.010 -0.801 242 HB ILE 35 HB ILE 35 -5.173 -2.873 -2.313 243 HG12 ILE 35 1HG1 ILE 35 -6.501 -4.285 -3.878 244 HG13 ILE 35 2HG1 ILE 35 -4.893 -4.900 -3.550 245 HG21 ILE 35 1HG2 ILE 35 -4.945 -5.412 -0.843 246 HG22 ILE 35 2HG2 ILE 35 -3.896 -3.974 -0.837 247 HG23 ILE 35 3HG2 ILE 35 -5.367 -4.006 0.165 248 HD11 ILE 35 1HD1 ILE 35 -7.235 -5.845 -1.873 249 HD12 ILE 35 2HD1 ILE 35 -6.925 -6.560 -3.474 250 HD13 ILE 35 3HD1 ILE 35 -5.689 -6.666 -2.198 251 H LEU 36 H LEU 36 -6.636 -0.890 -2.441 252 HA LEU 36 HA LEU 36 -5.865 0.480 -0.188 253 HB2 LEU 36 1HB LEU 36 -5.617 1.176 -2.561 254 HB3 LEU 36 2HB LEU 36 -7.321 1.580 -2.595 255 HG LEU 36 HG LEU 36 -6.757 3.140 -0.583 256 HD11 LEU 36 1HD1 LEU 36 -4.095 3.612 -1.688 257 HD12 LEU 36 2HD1 LEU 36 -4.637 3.506 0.004 258 HD13 LEU 36 3HD1 LEU 36 -4.248 2.023 -0.900 259 HD21 LEU 36 1HD2 LEU 36 -5.875 4.885 -2.317 260 HD22 LEU 36 2HD2 LEU 36 -6.193 3.589 -3.495 261 HD23 LEU 36 3HD2 LEU 36 -7.515 4.211 -2.478 262 H LYS 37 H LYS 37 -9.151 -0.165 -1.490 263 HA LYS 37 HA LYS 37 -10.491 1.549 0.278 264 HB2 LYS 37 1HB LYS 37 -12.491 0.328 -0.410 265 HB3 LYS 37 2HB LYS 37 -11.488 0.731 -1.789 266 HG2 LYS 37 1HG LYS 37 -11.538 -1.465 -2.358 267 HG3 LYS 37 2HG LYS 37 -10.509 -1.780 -0.975 268 HD2 LYS 37 1HD LYS 37 -12.449 -2.179 0.466 269 HD3 LYS 37 2HD LYS 37 -13.553 -1.649 -0.788 270 HE2 LYS 37 1HE LYS 37 -12.485 -3.575 -2.233 271 HE3 LYS 37 2HE LYS 37 -11.883 -4.186 -0.705 272 HZ1 LYS 37 1HZ LYS 37 -14.607 -3.482 -0.519 273 HZ2 LYS 37 2HZ LYS 37 -14.371 -4.560 -1.723 274 HZ3 LYS 37 3HZ LYS 37 -13.888 -4.913 -0.203 275 H VAL 38 H VAL 38 -9.103 -1.695 0.597 276 HA VAL 38 HA VAL 38 -10.521 -2.178 3.067 277 HB VAL 38 HB VAL 38 -8.267 -3.749 1.815 278 HG11 VAL 38 1HG1 VAL 38 -8.568 -4.601 3.956 279 HG12 VAL 38 2HG1 VAL 38 -10.320 -4.287 3.950 280 HG13 VAL 38 3HG1 VAL 38 -9.652 -5.629 2.989 281 HG21 VAL 38 1HG2 VAL 38 -10.288 -3.263 0.285 282 HG22 VAL 38 2HG2 VAL 38 -9.783 -4.957 0.493 283 HG23 VAL 38 3HG2 VAL 38 -11.197 -4.336 1.377 284 H VAL 39 H VAL 39 -7.082 -1.706 1.989 285 HA VAL 39 HA VAL 39 -5.942 -1.700 4.490 286 HB VAL 39 HB VAL 39 -5.155 -0.046 2.084 287 HG11 VAL 39 1HG1 VAL 39 -3.664 0.705 3.635 288 HG12 VAL 39 2HG1 VAL 39 -3.820 -0.746 4.654 289 HG13 VAL 39 3HG1 VAL 39 -2.821 -0.796 3.182 290 HG21 VAL 39 1HG2 VAL 39 -4.624 -1.916 0.989 291 HG22 VAL 39 2HG2 VAL 39 -3.700 -2.528 2.383 292 HG23 VAL 39 3HG2 VAL 39 -5.448 -2.844 2.266 293 H ALA 40 H ALA 40 -7.186 1.123 2.570 294 HA ALA 40 HA ALA 40 -6.637 3.182 4.149 295 HB1 ALA 40 1HB ALA 40 -9.143 2.428 2.639 296 HB2 ALA 40 2HB ALA 40 -9.056 3.968 3.528 297 HB3 ALA 40 3HB ALA 40 -7.895 3.626 2.222 298 H GLU 41 H GLU 41 -9.224 0.737 4.772 299 HA GLU 41 HA GLU 41 -10.064 2.035 7.127 300 HB2 GLU 41 1HB GLU 41 -10.518 -0.889 6.422 301 HB3 GLU 41 2HB GLU 41 -11.525 0.137 7.423 302 HG2 GLU 41 1HG GLU 41 -11.227 1.433 4.860 303 HG3 GLU 41 2HG GLU 41 -11.645 -0.243 4.565 304 H LYS 42 H LYS 42 -7.962 -0.816 6.390 305 HA LYS 42 HA LYS 42 -7.507 -1.650 8.972 306 HB2 LYS 42 1HB LYS 42 -6.347 -2.052 6.337 307 HB3 LYS 42 2HB LYS 42 -5.106 -2.048 7.573 308 HG2 LYS 42 1HG LYS 42 -6.063 -4.328 7.211 309 HG3 LYS 42 2HG LYS 42 -6.290 -3.774 8.858 310 HD2 LYS 42 1HD LYS 42 -8.406 -4.684 8.225 311 HD3 LYS 42 2HD LYS 42 -8.621 -2.947 8.133 312 HE2 LYS 42 1HE LYS 42 -7.774 -3.397 5.584 313 HE3 LYS 42 2HE LYS 42 -8.483 -4.966 5.912 314 HZ1 LYS 42 1HZ LYS 42 -10.515 -4.097 5.931 315 HZ2 LYS 42 2HZ LYS 42 -10.087 -2.752 6.753 316 HZ3 LYS 42 3HZ LYS 42 -9.856 -2.830 5.138 317 H ILE 43 H ILE 43 -6.551 1.299 7.376 318 HA ILE 43 HA ILE 43 -4.653 1.824 9.555 319 HB ILE 43 HB ILE 43 -3.413 3.153 8.158 320 HG12 ILE 43 1HG1 ILE 43 -5.712 3.324 6.188 321 HG13 ILE 43 2HG1 ILE 43 -5.341 4.541 7.394 322 HG21 ILE 43 1HG2 ILE 43 -3.184 1.901 5.965 323 HG22 ILE 43 2HG2 ILE 43 -3.040 0.929 7.450 324 HG23 ILE 43 3HG2 ILE 43 -4.548 0.892 6.505 325 HD11 ILE 43 1HD1 ILE 43 -4.039 5.456 5.754 326 HD12 ILE 43 2HD1 ILE 43 -2.866 4.200 6.215 327 HD13 ILE 43 3HD1 ILE 43 -3.961 3.932 4.838 328 H GLN 44 H GLN 44 -7.740 2.575 8.128 329 HA GLN 44 HA GLN 44 -9.365 3.812 8.915 330 HB2 GLN 44 1HB GLN 44 -7.500 5.061 10.971 331 HB3 GLN 44 2HB GLN 44 -9.251 5.001 11.022 332 HG2 GLN 44 1HG GLN 44 -9.021 2.421 11.018 333 HG3 GLN 44 2HG GLN 44 -7.311 2.669 11.310 334 HE21 GLN 44 1HE2 GLN 44 -6.659 3.899 13.178 335 HE22 GLN 44 2HE2 GLN 44 -7.615 3.878 14.622 336 H TYR 45 H TYR 45 -8.398 4.620 6.628 337 HA TYR 45 HA TYR 45 -8.214 7.528 6.909 338 HB2 TYR 45 1HB TYR 45 -6.194 5.590 6.039 339 HB3 TYR 45 2HB TYR 45 -6.672 6.539 4.645 340 HD1 TYR 45 2HD TYR 45 -6.253 8.970 4.569 341 HD2 TYR 45 1HD TYR 45 -4.966 6.592 7.886 342 HE1 TYR 45 2HE TYR 45 -4.709 10.844 5.324 343 HE2 TYR 45 1HE TYR 45 -3.427 8.474 8.628 344 HH TYR 45 HH TYR 45 -3.127 10.747 8.401 345 H ALA 46 H ALA 46 -7.903 8.038 4.111 346 HA ALA 46 HA ALA 46 -10.463 6.972 3.133 347 HB1 ALA 46 1HB ALA 46 -9.628 9.630 3.602 348 HB2 ALA 46 2HB ALA 46 -9.579 9.416 1.836 349 HB3 ALA 46 3HB ALA 46 -11.084 9.095 2.730 350 H GLU 47 H GLU 47 -10.029 5.349 1.711 351 HA GLU 47 HA GLU 47 -7.680 4.875 0.489 352 HB2 GLU 47 1HB GLU 47 -9.068 3.596 -1.227 353 HB3 GLU 47 2HB GLU 47 -9.393 3.202 0.449 354 HG2 GLU 47 1HG GLU 47 -11.386 4.648 0.460 355 HG3 GLU 47 2HG GLU 47 -11.022 5.228 -1.153 356 H GLU 48 H GLU 48 -10.371 6.987 -0.644 357 HA GLU 48 HA GLU 48 -9.341 7.459 -3.167 358 HB2 GLU 48 1HB GLU 48 -10.789 9.574 -3.021 359 HB3 GLU 48 2HB GLU 48 -11.613 8.049 -2.765 360 HG2 GLU 48 1HG GLU 48 -11.724 8.366 -0.394 361 HG3 GLU 48 2HG GLU 48 -10.486 9.607 -0.411 362 H ASP 49 H ASP 49 -8.300 8.518 -0.015 363 HA ASP 49 HA ASP 49 -6.882 10.764 -1.155 364 HB2 ASP 49 1HB ASP 49 -7.257 9.749 1.697 365 HB3 ASP 49 2HB ASP 49 -6.184 11.080 1.310 366 H LEU 50 H LEU 50 -6.519 7.429 -0.698 367 HA LEU 50 HA LEU 50 -3.630 7.655 -0.234 368 HB2 LEU 50 1HB LEU 50 -5.505 5.320 0.166 369 HB3 LEU 50 2HB LEU 50 -3.766 5.260 0.374 370 HG LEU 50 HG LEU 50 -5.711 6.920 2.000 371 HD11 LEU 50 1HD1 LEU 50 -5.892 4.608 2.592 372 HD12 LEU 50 2HD1 LEU 50 -4.122 4.427 2.654 373 HD13 LEU 50 3HD1 LEU 50 -4.957 5.433 3.862 374 HD21 LEU 50 1HD2 LEU 50 -3.599 7.263 3.443 375 HD22 LEU 50 2HD2 LEU 50 -2.702 6.835 1.967 376 HD23 LEU 50 3HD2 LEU 50 -3.794 8.240 1.968 377 H ALA 51 H ALA 51 -2.557 5.504 -1.365 378 HA ALA 51 HA ALA 51 -3.657 4.791 -3.863 379 HB1 ALA 51 1HB ALA 51 -3.174 6.898 -4.748 380 HB2 ALA 51 2HB ALA 51 -1.721 7.102 -3.741 381 HB3 ALA 51 3HB ALA 51 -1.691 5.991 -5.131 382 H LEU 52 H LEU 52 -2.496 3.047 -4.760 383 HA LEU 52 HA LEU 52 -0.544 1.927 -2.955 384 HB2 LEU 52 1HB LEU 52 -1.756 0.831 -5.497 385 HB3 LEU 52 2HB LEU 52 -0.748 -0.056 -4.370 386 HG LEU 52 HG LEU 52 -2.788 -0.773 -3.672 387 HD11 LEU 52 1HD1 LEU 52 -2.700 1.840 -2.142 388 HD12 LEU 52 2HD1 LEU 52 -3.463 0.313 -1.637 389 HD13 LEU 52 3HD1 LEU 52 -1.692 0.417 -1.781 390 HD21 LEU 52 1HD2 LEU 52 -4.818 0.126 -4.178 391 HD22 LEU 52 2HD2 LEU 52 -4.277 1.800 -3.907 392 HD23 LEU 52 3HD2 LEU 52 -3.829 0.952 -5.407 393 H VAL 53 H VAL 53 1.595 2.296 -3.126 394 HA VAL 53 HA VAL 53 2.601 2.959 -5.808 395 HB VAL 53 HB VAL 53 4.020 4.557 -4.912 396 HG11 VAL 53 1HG1 VAL 53 2.023 5.264 -2.897 397 HG12 VAL 53 2HG1 VAL 53 2.474 6.097 -4.404 398 HG13 VAL 53 3HG1 VAL 53 1.290 4.768 -4.441 399 HG21 VAL 53 1HG2 VAL 53 4.923 3.197 -3.071 400 HG22 VAL 53 2HG2 VAL 53 4.520 4.844 -2.530 401 HG23 VAL 53 3HG2 VAL 53 3.441 3.487 -2.128 402 H ALA 54 H ALA 54 4.030 1.514 -6.617 403 HA ALA 54 HA ALA 54 5.142 -0.427 -4.730 404 HB1 ALA 54 1HB ALA 54 5.498 -1.801 -6.750 405 HB2 ALA 54 2HB ALA 54 3.799 -1.290 -6.615 406 HB3 ALA 54 3HB ALA 54 4.884 -0.474 -7.765 407 H ILE 55 H ILE 55 7.434 -1.068 -5.002 408 HA ILE 55 HA ILE 55 9.029 1.100 -6.173 409 HB ILE 55 HB ILE 55 9.721 -0.342 -3.620 410 HG12 ILE 55 1HG1 ILE 55 8.012 2.080 -4.062 411 HG13 ILE 55 2HG1 ILE 55 7.816 0.766 -2.918 412 HG21 ILE 55 1HG2 ILE 55 11.559 0.682 -4.963 413 HG22 ILE 55 2HG2 ILE 55 10.766 2.262 -4.757 414 HG23 ILE 55 3HG2 ILE 55 11.366 1.376 -3.335 415 HD11 ILE 55 1HD1 ILE 55 10.024 2.872 -2.782 416 HD12 ILE 55 2HD1 ILE 55 8.539 2.877 -1.801 417 HD13 ILE 55 3HD1 ILE 55 9.738 1.578 -1.594 418 H THR 56 H THR 56 11.214 0.423 -6.862 419 HA THR 56 HA THR 56 11.235 -2.445 -7.540 420 HB THR 56 HB THR 56 10.871 -0.906 -9.481 421 HG1 THR 56 1HG THR 56 12.582 -1.949 -10.617 422 HG21 THR 56 1HG2 THR 56 12.508 0.717 -10.138 423 HG22 THR 56 2HG2 THR 56 12.283 1.019 -8.398 424 HG23 THR 56 3HG2 THR 56 13.700 0.105 -8.967 425 H PHE 57 H PHE 57 13.554 -3.244 -8.029 426 HA PHE 57 HA PHE 57 14.989 -2.966 -5.631 427 HB2 PHE 57 1HB PHE 57 15.051 -5.018 -6.978 428 HB3 PHE 57 2HB PHE 57 15.493 -4.130 -8.423 429 HD1 PHE 57 1HD PHE 57 16.922 -4.166 -4.969 430 HD2 PHE 57 2HD PHE 57 17.584 -4.808 -9.111 431 HE1 PHE 57 1HE PHE 57 19.346 -4.626 -4.509 432 HE2 PHE 57 2HE PHE 57 20.009 -5.269 -8.651 433 HZ PHE 57 HZ PHE 57 20.860 -5.173 -6.356 434 H SER 58 H SER 58 15.409 -0.661 -5.419 435 HA SER 58 HA SER 58 17.905 0.086 -6.073 436 HB2 SER 58 1HB SER 58 17.944 0.760 -8.225 437 HB3 SER 58 2HB SER 58 16.277 0.254 -8.414 438 HG SER 58 HG SER 58 15.632 2.382 -7.568 439 H GLY 59 H GLY 59 14.489 0.983 -5.629 440 HA2 GLY 59 1HA GLY 59 13.859 2.216 -3.704 441 HA3 GLY 59 2HA GLY 59 15.353 3.127 -3.800 442 H GLU 60 H GLU 60 12.424 2.379 -5.823 443 HA GLU 60 HA GLU 60 12.266 5.218 -6.371 444 HB2 GLU 60 1HB GLU 60 12.571 3.021 -8.421 445 HB3 GLU 60 2HB GLU 60 11.595 4.420 -8.821 446 HG2 GLU 60 1HG GLU 60 13.701 5.771 -7.875 447 HG3 GLU 60 2HG GLU 60 14.555 4.281 -8.222 448 H LYS 61 H LYS 61 10.277 5.804 -5.625 449 HA LYS 61 HA LYS 61 8.226 3.857 -5.301 450 HB2 LYS 61 1HB LYS 61 8.555 6.782 -4.728 451 HB3 LYS 61 2HB LYS 61 6.941 6.102 -4.741 452 HG2 LYS 61 1HG LYS 61 7.275 4.942 -2.796 453 HG3 LYS 61 2HG LYS 61 8.875 4.412 -3.274 454 HD2 LYS 61 1HD LYS 61 9.083 7.229 -2.858 455 HD3 LYS 61 2HD LYS 61 8.128 6.618 -1.522 456 HE2 LYS 61 1HE LYS 61 9.851 5.141 -0.792 457 HE3 LYS 61 2HE LYS 61 10.675 5.182 -2.338 458 HZ1 LYS 61 1HZ LYS 61 11.044 6.855 -0.149 459 HZ2 LYS 61 2HZ LYS 61 11.872 6.834 -1.557 460 HZ3 LYS 61 3HZ LYS 61 10.547 7.776 -1.403 461 H HIS 62 H HIS 62 6.189 3.738 -6.380 462 HA HIS 62 HA HIS 62 5.837 5.392 -8.710 463 HB2 HIS 62 1HB HIS 62 6.944 2.716 -8.889 464 HB3 HIS 62 2HB HIS 62 5.401 2.800 -9.715 465 HD1 HIS 62 1HD HIS 62 8.532 5.034 -9.572 466 HD2 HIS 62 2HD HIS 62 5.737 3.527 -12.313 467 HE1 HIS 62 1HE HIS 62 9.241 5.899 -11.865 468 H GLU 63 H GLU 63 3.800 6.118 -8.353 469 HA GLU 63 HA GLU 63 1.995 4.512 -6.854 470 HB2 GLU 63 1HB GLU 63 2.247 7.104 -6.851 471 HB3 GLU 63 2HB GLU 63 1.302 7.077 -8.327 472 HG2 GLU 63 1HG GLU 63 -0.099 5.378 -6.535 473 HG3 GLU 63 2HG GLU 63 0.412 6.740 -5.557 474 H LEU 64 H LEU 64 0.693 2.948 -7.695 475 HA LEU 64 HA LEU 64 0.466 2.701 -10.536 476 HB2 LEU 64 1HB LEU 64 -0.681 1.120 -8.234 477 HB3 LEU 64 2HB LEU 64 -0.914 0.707 -9.921 478 HG LEU 64 HG LEU 64 0.823 -0.682 -9.292 479 HD11 LEU 64 1HD1 LEU 64 2.699 -0.054 -10.554 480 HD12 LEU 64 2HD1 LEU 64 1.337 0.820 -11.296 481 HD13 LEU 64 3HD1 LEU 64 2.462 1.678 -10.215 482 HD21 LEU 64 1HD2 LEU 64 2.555 1.348 -7.978 483 HD22 LEU 64 2HD2 LEU 64 1.100 0.823 -7.097 484 HD23 LEU 64 3HD2 LEU 64 2.312 -0.377 -7.609 485 H GLN 65 H GLN 65 -2.462 1.638 -9.341 486 HA GLN 65 HA GLN 65 -3.805 4.145 -9.354 487 HB2 GLN 65 1HB GLN 65 -3.982 2.278 -11.741 488 HB3 GLN 65 2HB GLN 65 -5.310 3.347 -11.336 489 HG2 GLN 65 1HG GLN 65 -3.245 5.134 -11.205 490 HG3 GLN 65 2HG GLN 65 -2.579 4.016 -12.378 491 HE21 GLN 65 1HE2 GLN 65 -4.339 6.741 -12.009 492 HE22 GLN 65 2HE2 GLN 65 -5.256 6.766 -13.479 493 HA PRO 66 HA PRO 66 -6.804 1.745 -7.323 494 HB2 PRO 66 1HB PRO 66 -9.218 2.786 -8.070 495 HB3 PRO 66 2HB PRO 66 -8.170 3.546 -6.888 496 HG2 PRO 66 1HG PRO 66 -8.670 4.326 -9.695 497 HG3 PRO 66 2HG PRO 66 -7.985 5.281 -8.396 498 HD2 PRO 66 1HD PRO 66 -6.557 4.047 -10.555 499 HD3 PRO 66 2HD PRO 66 -5.862 4.904 -9.194 500 H ASN 67 H ASN 67 -6.123 1.107 -10.319 501 HA ASN 67 HA ASN 67 -8.162 -0.973 -10.396 502 HB2 ASN 67 1HB ASN 67 -7.825 1.108 -12.282 503 HB3 ASN 67 2HB ASN 67 -7.030 -0.261 -13.032 504 HD21 ASN 67 1HD2 ASN 67 -8.383 -0.985 -14.503 505 HD22 ASN 67 2HD2 ASN 67 -10.039 -1.430 -14.262 506 H ASP 68 H ASP 68 -4.844 0.198 -11.131 507 HA ASP 68 HA ASP 68 -3.698 -1.783 -12.435 508 HB2 ASP 68 1HB ASP 68 -2.826 0.020 -10.224 509 HB3 ASP 68 2HB ASP 68 -1.799 -1.380 -10.462 510 H LEU 69 H LEU 69 -3.741 -4.017 -12.157 511 HA LEU 69 HA LEU 69 -4.774 -5.295 -9.966 512 HB2 LEU 69 1HB LEU 69 -3.016 -6.101 -12.242 513 HB3 LEU 69 2HB LEU 69 -3.272 -7.238 -10.933 514 HG LEU 69 HG LEU 69 -5.394 -6.009 -12.711 515 HD11 LEU 69 1HD1 LEU 69 -4.114 -7.755 -13.809 516 HD12 LEU 69 2HD1 LEU 69 -4.390 -8.856 -12.437 517 HD13 LEU 69 3HD1 LEU 69 -5.759 -8.331 -13.446 518 HD21 LEU 69 1HD2 LEU 69 -6.454 -6.159 -10.625 519 HD22 LEU 69 2HD2 LEU 69 -6.916 -7.652 -11.477 520 HD23 LEU 69 3HD2 LEU 69 -5.652 -7.697 -10.224 521 H VAL 70 H VAL 70 -3.918 -6.320 -8.114 522 HA VAL 70 HA VAL 70 -1.221 -5.378 -7.425 523 HB VAL 70 HB VAL 70 -2.064 -5.610 -5.060 524 HG11 VAL 70 1HG1 VAL 70 -1.833 -3.445 -6.313 525 HG12 VAL 70 2HG1 VAL 70 -3.557 -3.570 -6.739 526 HG13 VAL 70 3HG1 VAL 70 -3.069 -3.426 -5.033 527 HG21 VAL 70 1HG2 VAL 70 -4.281 -6.785 -6.322 528 HG22 VAL 70 2HG2 VAL 70 -4.116 -6.363 -4.600 529 HG23 VAL 70 3HG2 VAL 70 -4.858 -5.207 -5.733 530 H ILE 71 H ILE 71 -1.230 -7.592 -8.988 531 HA ILE 71 HA ILE 71 -0.055 -9.507 -7.312 532 HB ILE 71 HB ILE 71 -2.408 -9.940 -6.719 533 HG12 ILE 71 1HG1 ILE 71 -0.473 -11.697 -6.929 534 HG13 ILE 71 2HG1 ILE 71 -2.113 -12.210 -6.587 535 HG21 ILE 71 1HG2 ILE 71 -2.730 -10.766 -9.617 536 HG22 ILE 71 2HG2 ILE 71 -3.942 -10.923 -8.322 537 HG23 ILE 71 3HG2 ILE 71 -3.428 -9.309 -8.870 538 HD11 ILE 71 1HD1 ILE 71 -2.500 -12.777 -8.937 539 HD12 ILE 71 2HD1 ILE 71 -0.922 -12.092 -9.396 540 HD13 ILE 71 3HD1 ILE 71 -0.997 -13.563 -8.397 541 H SER 72 H SER 72 -1.774 -8.838 -10.414 542 HA SER 72 HA SER 72 0.434 -10.230 -11.718 543 HB2 SER 72 1HB SER 72 -1.493 -11.467 -12.292 544 HB3 SER 72 2HB SER 72 -2.509 -10.043 -12.382 545 HG SER 72 HG SER 72 -0.329 -10.191 -14.207 546 H LYS 73 H LYS 73 1.493 -9.157 -13.457 547 HA LYS 73 HA LYS 73 0.442 -6.730 -14.515 548 HB2 LYS 73 1HB LYS 73 1.185 -5.779 -12.438 549 HB3 LYS 73 2HB LYS 73 2.735 -6.590 -12.542 550 HG2 LYS 73 1HG LYS 73 3.127 -4.333 -13.268 551 HG3 LYS 73 2HG LYS 73 3.157 -5.313 -14.720 552 HD2 LYS 73 1HD LYS 73 1.760 -3.550 -15.384 553 HD3 LYS 73 2HD LYS 73 0.585 -4.746 -14.874 554 HE2 LYS 73 1HE LYS 73 -0.112 -2.703 -13.835 555 HE3 LYS 73 2HE LYS 73 0.628 -3.638 -12.551 556 HZ1 LYS 73 1HZ LYS 73 2.215 -2.134 -12.341 557 HZ2 LYS 73 2HZ LYS 73 2.514 -2.044 -13.944 558 HZ3 LYS 73 3HZ LYS 73 1.325 -1.141 -13.283 559 H SER 74 H SER 74 0.674 -8.188 -16.368 560 HA SER 74 HA SER 74 1.692 -8.721 -18.215 561 HB2 SER 74 1HB SER 74 3.046 -6.478 -17.574 562 HB3 SER 74 2HB SER 74 4.374 -7.612 -17.426 563 HG SER 74 HG SER 74 2.772 -7.881 -19.749 564 H LEU 75 H LEU 75 4.437 -8.805 -15.818 565 HA LEU 75 HA LEU 75 4.312 -11.663 -15.694 566 HB2 LEU 75 1HB LEU 75 6.701 -11.899 -16.499 567 HB3 LEU 75 2HB LEU 75 5.447 -11.708 -17.708 568 HG LEU 75 HG LEU 75 7.685 -10.425 -17.963 569 HD11 LEU 75 1HD1 LEU 75 5.921 -8.315 -18.536 570 HD12 LEU 75 2HD1 LEU 75 6.472 -9.606 -19.631 571 HD13 LEU 75 3HD1 LEU 75 4.965 -9.807 -18.705 572 HD21 LEU 75 1HD2 LEU 75 6.294 -8.385 -16.227 573 HD22 LEU 75 2HD2 LEU 75 7.507 -9.518 -15.583 574 HD23 LEU 75 3HD2 LEU 75 7.956 -8.367 -16.864 575 H GLU 76 H GLU 76 4.083 -9.264 -13.950 576 HA GLU 76 HA GLU 76 6.375 -9.869 -12.248 577 HB2 GLU 76 1HB GLU 76 5.478 -7.328 -13.267 578 HB3 GLU 76 2HB GLU 76 5.222 -7.328 -11.533 579 HG2 GLU 76 1HG GLU 76 7.851 -8.357 -12.625 580 HG3 GLU 76 2HG GLU 76 7.582 -6.627 -12.555 581 H ALA 77 H ALA 77 5.928 -9.744 -9.876 582 HA ALA 77 HA ALA 77 3.183 -9.637 -9.055 583 HB1 ALA 77 1HB ALA 77 4.274 -12.139 -9.893 584 HB2 ALA 77 2HB ALA 77 4.150 -12.182 -8.118 585 HB3 ALA 77 3HB ALA 77 2.709 -11.831 -9.103 586 H SER 78 H SER 78 6.289 -11.204 -7.981 587 HA SER 78 HA SER 78 6.048 -10.532 -5.365 588 HB2 SER 78 1HB SER 78 8.220 -11.354 -7.185 589 HB3 SER 78 2HB SER 78 8.804 -10.392 -5.841 590 HG SER 78 HG SER 78 7.220 -12.812 -5.682 591 H GLY 79 H GLY 79 7.507 -8.915 -4.105 592 HA2 GLY 79 1HA GLY 79 8.812 -6.793 -4.639 593 HA3 GLY 79 2HA GLY 79 7.348 -6.304 -5.470 594 H ARG 80 H ARG 80 7.621 -4.486 -3.766 595 HA ARG 80 HA ARG 80 6.105 -5.325 -1.434 596 HB2 ARG 80 1HB ARG 80 8.544 -3.495 -1.536 597 HB3 ARG 80 2HB ARG 80 7.426 -3.453 -0.188 598 HG2 ARG 80 1HG ARG 80 8.978 -5.014 0.595 599 HG3 ARG 80 2HG ARG 80 7.798 -6.080 -0.141 600 HD2 ARG 80 1HD ARG 80 9.822 -6.887 -1.044 601 HD3 ARG 80 2HD ARG 80 9.248 -5.833 -2.322 602 HE ARG 80 HE ARG 80 11.485 -5.264 -0.449 603 HH11 ARG 80 2HH2 ARG 80 9.454 -4.175 -3.108 604 HH12 ARG 80 1HH2 ARG 80 10.530 -2.902 -3.577 605 HH21 ARG 80 2HH1 ARG 80 12.905 -3.585 -1.067 606 HH22 ARG 80 1HH1 ARG 80 12.507 -2.564 -2.409 607 H ILE 81 H ILE 81 4.118 -4.338 -1.657 608 HA ILE 81 HA ILE 81 3.970 -1.834 -3.107 609 HB ILE 81 HB ILE 81 1.782 -3.554 -1.937 610 HG12 ILE 81 1HG1 ILE 81 2.968 -4.898 -3.515 611 HG13 ILE 81 2HG1 ILE 81 1.487 -4.356 -4.279 612 HG21 ILE 81 1HG2 ILE 81 1.479 -1.004 -2.585 613 HG22 ILE 81 2HG2 ILE 81 1.376 -1.682 -4.227 614 HG23 ILE 81 3HG2 ILE 81 0.241 -2.224 -2.968 615 HD11 ILE 81 1HD1 ILE 81 4.319 -3.642 -4.904 616 HD12 ILE 81 2HD1 ILE 81 2.918 -3.795 -5.990 617 HD13 ILE 81 3HD1 ILE 81 3.138 -2.316 -5.025 618 H TYR 82 H TYR 82 3.077 0.113 -2.229 619 HA TYR 82 HA TYR 82 2.921 0.149 0.701 620 HB2 TYR 82 1HB TYR 82 4.416 1.962 -1.289 621 HB3 TYR 82 2HB TYR 82 4.143 2.440 0.374 622 HD1 TYR 82 1HD TYR 82 6.012 0.178 -1.845 623 HD2 TYR 82 2HD TYR 82 5.374 1.394 2.208 624 HE1 TYR 82 1HE TYR 82 8.140 -1.022 -1.142 625 HE2 TYR 82 2HE TYR 82 7.504 0.189 2.897 626 HH TYR 82 HH TYR 82 9.314 -1.749 0.563 627 H VAL 83 H VAL 83 2.128 2.551 1.340 628 HA VAL 83 HA VAL 83 0.195 3.510 -0.606 629 HB VAL 83 HB VAL 83 -1.126 1.891 0.478 630 HG11 VAL 83 1HG1 VAL 83 -1.343 1.859 3.011 631 HG12 VAL 83 2HG1 VAL 83 0.193 1.251 2.348 632 HG13 VAL 83 3HG1 VAL 83 0.113 2.881 3.059 633 HG21 VAL 83 1HG2 VAL 83 -2.045 4.263 0.290 634 HG22 VAL 83 2HG2 VAL 83 -2.872 3.178 1.433 635 HG23 VAL 83 3HG2 VAL 83 -1.741 4.412 2.038 636 H TYR 84 H TYR 84 0.129 5.712 -0.589 637 HA TYR 84 HA TYR 84 1.266 7.023 1.789 638 HB2 TYR 84 1HB TYR 84 1.428 7.524 -1.241 639 HB3 TYR 84 2HB TYR 84 1.885 8.767 -0.093 640 HD1 TYR 84 1HD TYR 84 2.572 5.087 -0.476 641 HD2 TYR 84 2HD TYR 84 4.169 9.004 0.161 642 HE1 TYR 84 1HE TYR 84 4.919 4.117 -0.351 643 HE2 TYR 84 2HE TYR 84 6.511 8.022 0.284 644 HH TYR 84 HH TYR 84 7.607 6.033 0.687 645 H ARG 85 H ARG 85 0.596 9.451 1.848 646 HA ARG 85 HA ARG 85 -2.265 9.437 1.507 647 HB2 ARG 85 1HB ARG 85 -0.675 10.288 3.584 648 HB3 ARG 85 2HB ARG 85 -0.895 11.805 2.735 649 HG2 ARG 85 1HG ARG 85 -3.476 10.718 2.735 650 HG3 ARG 85 2HG ARG 85 -2.850 10.226 4.296 651 HD2 ARG 85 1HD ARG 85 -3.379 12.315 5.033 652 HD3 ARG 85 2HD ARG 85 -2.007 12.892 4.108 653 HE ARG 85 HE ARG 85 -3.949 12.796 2.184 654 HH11 ARG 85 2HH2 ARG 85 -3.935 14.151 5.431 655 HH12 ARG 85 1HH2 ARG 85 -5.082 15.393 5.056 656 HH21 ARG 85 2HH1 ARG 85 -5.462 14.435 1.688 657 HH22 ARG 85 1HH1 ARG 85 -5.957 15.556 2.913 658 H LYS 86 H LYS 86 -3.392 10.964 0.202 659 HA LYS 86 HA LYS 86 -1.653 12.498 -1.592 660 HB2 LYS 86 1HB LYS 86 -4.388 11.264 -1.967 661 HB3 LYS 86 2HB LYS 86 -3.746 12.468 -3.066 662 HG2 LYS 86 1HG LYS 86 -1.654 10.972 -3.286 663 HG3 LYS 86 2HG LYS 86 -2.550 9.737 -2.424 664 HD2 LYS 86 1HD LYS 86 -3.193 9.122 -4.547 665 HD3 LYS 86 2HD LYS 86 -4.415 10.353 -4.301 666 HE2 LYS 86 1HE LYS 86 -2.000 11.656 -5.223 667 HE3 LYS 86 2HE LYS 86 -2.324 10.297 -6.281 668 HZ1 LYS 86 1HZ LYS 86 -4.170 12.480 -5.616 669 HZ2 LYS 86 2HZ LYS 86 -3.512 12.149 -7.074 670 HZ3 LYS 86 3HZ LYS 86 -4.626 11.141 -6.434 671 H ASP 87 H ASP 87 -1.719 14.695 -1.565 672 HA ASP 87 HA ASP 87 -4.008 15.883 -0.223 673 HB2 ASP 87 1HB ASP 87 -2.507 17.505 0.887 674 HB3 ASP 87 2HB ASP 87 -2.112 15.866 1.365 675 H LEU 88 H LEU 88 -2.504 18.567 -0.507 676 HA LEU 88 HA LEU 88 -3.400 19.158 -3.134 677 HB2 LEU 88 1HB LEU 88 -1.818 20.807 -1.157 678 HB3 LEU 88 2HB LEU 88 -2.556 21.412 -2.626 679 HG LEU 88 HG LEU 88 -3.910 21.983 -0.704 680 HD11 LEU 88 1HD1 LEU 88 -4.858 20.998 -3.022 681 HD12 LEU 88 2HD1 LEU 88 -5.622 19.866 -1.880 682 HD13 LEU 88 3HD1 LEU 88 -5.897 21.616 -1.715 683 HD21 LEU 88 1HD2 LEU 88 -4.842 20.441 0.824 684 HD22 LEU 88 2HD2 LEU 88 -4.355 19.044 -0.165 685 HD23 LEU 88 3HD2 LEU 88 -3.121 20.010 0.679 686 H ALA 89 H ALA 89 -0.590 17.672 -1.916 687 HA ALA 89 HA ALA 89 1.014 18.653 -4.166 688 HB1 ALA 89 1HB ALA 89 2.735 18.618 -2.721 689 HB2 ALA 89 2HB ALA 89 1.577 18.229 -1.427 690 HB3 ALA 89 3HB ALA 89 2.408 16.920 -2.301 691 H ASP 90 H ASP 90 0.910 17.416 -5.968 692 HA ASP 90 HA ASP 90 -0.345 15.079 -6.220 693 HB2 ASP 90 1HB ASP 90 1.606 16.611 -7.735 694 HB3 ASP 90 2HB ASP 90 1.960 14.905 -7.922 695 H THR 91 H THR 91 3.078 15.682 -5.247 696 HA THR 91 HA THR 91 4.098 13.132 -5.369 697 HB THR 91 HB THR 91 4.742 14.993 -3.064 698 HG1 THR 91 1HG THR 91 5.407 16.526 -4.591 699 HG21 THR 91 1HG2 THR 91 6.155 13.068 -4.872 700 HG22 THR 91 2HG2 THR 91 7.028 14.583 -4.540 701 HG23 THR 91 3HG2 THR 91 6.533 13.528 -3.195 702 H LEU 92 H LEU 92 4.843 11.980 -3.138 703 HA LEU 92 HA LEU 92 2.417 11.631 -1.536 704 HB2 LEU 92 1HB LEU 92 3.910 9.574 -3.111 705 HB3 LEU 92 2HB LEU 92 3.180 9.116 -1.585 706 HG LEU 92 HG LEU 92 1.761 10.228 -4.019 707 HD11 LEU 92 1HD1 LEU 92 2.317 7.537 -3.023 708 HD12 LEU 92 2HD1 LEU 92 0.586 7.830 -3.314 709 HD13 LEU 92 3HD1 LEU 92 1.764 8.081 -4.624 710 HD21 LEU 92 1HD2 LEU 92 0.290 11.084 -2.566 711 HD22 LEU 92 2HD2 LEU 92 -0.220 9.396 -2.320 712 HD23 LEU 92 3HD2 LEU 92 0.940 10.148 -1.199 713 H ASN 93 H ASN 93 2.781 11.354 0.655 714 HA ASN 93 HA ASN 93 5.604 11.333 1.388 715 HB2 ASN 93 1HB ASN 93 3.383 12.497 3.121 716 HB3 ASN 93 2HB ASN 93 5.105 12.800 3.236 717 HD21 ASN 93 1HD2 ASN 93 6.026 13.517 0.954 718 HD22 ASN 93 2HD2 ASN 93 5.214 14.870 0.240 719 HA PRO 94 HA PRO 94 4.396 7.758 3.644 720 HB2 PRO 94 1HB PRO 94 6.651 7.372 5.140 721 HB3 PRO 94 2HB PRO 94 6.503 6.845 3.475 722 HG2 PRO 94 1HG PRO 94 8.001 9.149 4.562 723 HG3 PRO 94 2HG PRO 94 8.175 8.362 3.006 724 HD2 PRO 94 1HD PRO 94 6.875 10.865 3.527 725 HD3 PRO 94 2HD PRO 94 6.948 10.021 1.993 726 H PHE 95 H PHE 95 3.040 7.368 5.285 727 HA PHE 95 HA PHE 95 2.294 9.329 6.980 728 HB2 PHE 95 1HB PHE 95 2.541 6.311 7.538 729 HB3 PHE 95 2HB PHE 95 1.436 7.386 8.371 730 HD1 PHE 95 1HD PHE 95 -0.222 8.706 6.788 731 HD2 PHE 95 2HD PHE 95 1.752 5.101 5.734 732 HE1 PHE 95 1HE PHE 95 -1.974 8.255 5.048 733 HE2 PHE 95 2HE PHE 95 0.000 4.650 3.994 734 HZ PHE 95 HZ PHE 95 -1.842 6.233 3.672 735 H ALA 96 H ALA 96 4.530 6.602 7.898 736 HA ALA 96 HA ALA 96 5.441 8.257 10.128 737 HB1 ALA 96 1HB ALA 96 4.884 5.462 9.727 738 HB2 ALA 96 2HB ALA 96 6.604 5.650 10.144 739 HB3 ALA 96 3HB ALA 96 5.349 6.301 11.226 740 H GLU 97 H GLU 97 6.823 9.737 9.072 741 HA GLU 97 HA GLU 97 8.522 9.220 7.054 742 HB2 GLU 97 1HB GLU 97 8.002 11.382 8.601 743 HB3 GLU 97 2HB GLU 97 9.568 10.960 9.264 744 HG2 GLU 97 1HG GLU 97 10.700 11.413 7.278 745 HG3 GLU 97 2HG GLU 97 9.337 10.970 6.269 746 H ASN 98 H ASN 98 11.064 9.208 7.216 747 HA ASN 98 HA ASN 98 11.701 6.833 8.624 748 HB2 ASN 98 1HB ASN 98 12.610 7.531 6.322 749 HB3 ASN 98 2HB ASN 98 13.587 8.735 7.139 750 HD21 ASN 98 1HD2 ASN 98 12.859 5.283 6.962 751 HD22 ASN 98 2HD2 ASN 98 14.409 4.692 7.460 752 H SER 99 H SER 99 13.720 6.739 10.085 753 HA SER 99 HA SER 99 14.910 7.383 11.783 754 HB2 SER 99 1HB SER 99 14.786 9.816 10.163 755 HB3 SER 99 2HB SER 99 14.888 10.215 11.867 756 HG SER 99 HG SER 99 16.966 9.752 11.748 757 H GLY 100 H GLY 100 14.508 7.741 14.015 758 HA2 GLY 100 1HA GLY 100 13.159 9.288 15.513 759 HA3 GLY 100 2HA GLY 100 11.777 8.684 14.622 760 HA PRO 101 HA PRO 101 11.805 5.568 17.700 761 HB2 PRO 101 1HB PRO 101 9.426 4.396 17.039 762 HB3 PRO 101 2HB PRO 101 9.546 5.799 18.083 763 HG2 PRO 101 1HG PRO 101 8.670 5.655 15.263 764 HG3 PRO 101 2HG PRO 101 8.400 6.932 16.432 765 HD2 PRO 101 1HD PRO 101 10.303 6.945 14.286 766 HD3 PRO 101 2HD PRO 101 10.112 8.170 15.524 767 H SER 102 H SER 102 11.990 3.254 17.985 768 HA SER 102 HA SER 102 12.714 1.305 17.362 769 HB2 SER 102 1HB SER 102 10.687 1.240 15.917 770 HB3 SER 102 2HB SER 102 11.585 1.987 14.611 771 HG SER 102 HG SER 102 13.024 0.117 14.621 772 H SER 103 H SER 103 14.677 0.359 16.569 773 HA SER 103 HA SER 103 16.130 1.811 14.572 774 HB2 SER 103 1HB SER 103 16.635 2.890 16.860 775 HB3 SER 103 2HB SER 103 17.426 1.387 17.294 776 HG SER 103 HG SER 103 18.519 1.889 14.990 777 H GLY 104 H GLY 104 16.722 0.156 13.220 778 HA2 GLY 104 1HA GLY 104 16.912 -2.544 14.151 779 HA3 GLY 104 2HA GLY 104 17.221 -1.943 12.535 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.989 -28.634 3.657 2 HA2 GLY 1 1HA GLY 1 4.346 -26.263 3.087 3 HA3 GLY 1 2HA GLY 1 5.940 -26.477 3.785 4 H SER 2 H SER 2 4.228 -26.446 0.585 5 HA SER 2 HA SER 2 5.922 -24.538 -0.465 6 HB2 SER 2 1HB SER 2 7.286 -26.916 -0.366 7 HB3 SER 2 2HB SER 2 6.536 -27.058 -1.943 8 HG SER 2 HG SER 2 7.879 -24.624 -1.213 9 H SER 3 H SER 3 4.350 -27.655 -1.519 10 HA SER 3 HA SER 3 3.282 -26.507 -3.828 11 HB2 SER 3 1HB SER 3 3.340 -29.092 -2.533 12 HB3 SER 3 2HB SER 3 1.689 -28.753 -3.013 13 HG SER 3 HG SER 3 2.352 -29.432 -4.939 14 H GLY 4 H GLY 4 2.343 -24.490 -2.863 15 HA2 GLY 4 1HA GLY 4 -0.081 -24.896 -1.267 16 HA3 GLY 4 2HA GLY 4 0.760 -23.386 -1.557 17 H SER 5 H SER 5 -1.780 -25.517 -2.602 18 HA SER 5 HA SER 5 -2.000 -24.605 -5.234 19 HB2 SER 5 1HB SER 5 -3.229 -26.545 -3.638 20 HB3 SER 5 2HB SER 5 -4.531 -25.414 -3.946 21 HG SER 5 HG SER 5 -3.084 -27.056 -5.767 22 H SER 6 H SER 6 -1.722 -22.243 -4.948 23 HA SER 6 HA SER 6 -3.423 -20.747 -3.363 24 HB2 SER 6 1HB SER 6 -2.736 -18.876 -5.063 25 HB3 SER 6 2HB SER 6 -1.497 -19.614 -4.067 26 HG SER 6 HG SER 6 -1.525 -19.466 -6.722 27 H GLY 7 H GLY 7 -3.407 -20.732 -7.002 28 HA2 GLY 7 1HA GLY 7 -5.187 -21.123 -8.413 29 HA3 GLY 7 2HA GLY 7 -6.288 -21.165 -7.050 30 H GLU 8 H GLU 8 -7.465 -19.338 -6.515 31 HA GLU 8 HA GLU 8 -6.713 -16.934 -7.988 32 HB2 GLU 8 1HB GLU 8 -9.170 -16.350 -7.887 33 HB3 GLU 8 2HB GLU 8 -8.808 -17.768 -8.851 34 HG2 GLU 8 1HG GLU 8 -9.454 -19.257 -6.991 35 HG3 GLU 8 2HG GLU 8 -9.685 -17.884 -5.927 36 H GLU 9 H GLU 9 -6.816 -18.387 -4.944 37 HA GLU 9 HA GLU 9 -7.554 -15.964 -3.566 38 HB2 GLU 9 1HB GLU 9 -7.623 -17.285 -1.580 39 HB3 GLU 9 2HB GLU 9 -8.298 -18.303 -2.836 40 HG2 GLU 9 1HG GLU 9 -5.846 -19.193 -3.142 41 HG3 GLU 9 2HG GLU 9 -5.534 -18.456 -1.583 42 H ILE 10 H ILE 10 -6.025 -14.414 -3.230 43 HA ILE 10 HA ILE 10 -3.341 -15.331 -2.519 44 HB ILE 10 HB ILE 10 -3.716 -14.611 -5.011 45 HG12 ILE 10 1HG1 ILE 10 -1.346 -13.256 -3.843 46 HG13 ILE 10 2HG1 ILE 10 -1.549 -14.944 -3.420 47 HG21 ILE 10 1HG2 ILE 10 -4.636 -12.319 -3.882 48 HG22 ILE 10 2HG2 ILE 10 -2.930 -11.896 -4.162 49 HG23 ILE 10 3HG2 ILE 10 -3.948 -12.435 -5.519 50 HD11 ILE 10 1HD1 ILE 10 -1.415 -15.669 -5.667 51 HD12 ILE 10 2HD1 ILE 10 -1.841 -14.063 -6.307 52 HD13 ILE 10 3HD1 ILE 10 -0.230 -14.343 -5.604 53 H PHE 11 H PHE 11 -2.061 -13.105 -1.864 54 HA PHE 11 HA PHE 11 -3.930 -11.513 -0.272 55 HB2 PHE 11 1HB PHE 11 -1.791 -13.415 0.529 56 HB3 PHE 11 2HB PHE 11 -1.500 -11.819 1.191 57 HD1 PHE 11 2HD PHE 11 -3.999 -14.547 1.029 58 HD2 PHE 11 1HD PHE 11 -2.729 -11.035 3.044 59 HE1 PHE 11 2HE PHE 11 -5.636 -15.014 2.873 60 HE2 PHE 11 1HE PHE 11 -4.366 -11.502 4.889 61 HZ PHE 11 HZ PHE 11 -5.800 -13.485 4.781 62 H CYS 12 H CYS 12 -3.456 -9.329 -0.203 63 HA CYS 12 HA CYS 12 -1.029 -8.563 -1.645 64 HB2 CYS 12 1HB CYS 12 -2.994 -7.786 -2.788 65 HB3 CYS 12 2HB CYS 12 -3.684 -7.139 -1.312 66 HG CYS 12 HG CYS 12 -1.530 -5.993 -3.381 67 H HIS 13 H HIS 13 0.591 -7.681 -0.403 68 HA HIS 13 HA HIS 13 -0.191 -6.705 2.244 69 HB2 HIS 13 1HB HIS 13 2.305 -8.034 1.206 70 HB3 HIS 13 2HB HIS 13 2.353 -7.055 2.659 71 HD1 HIS 13 1HD HIS 13 0.947 -10.287 1.300 72 HD2 HIS 13 2HD HIS 13 1.144 -8.199 4.933 73 HE1 HIS 13 1HE HIS 13 0.178 -11.918 3.105 74 H VAL 14 H VAL 14 -0.124 -4.540 2.565 75 HA VAL 14 HA VAL 14 1.541 -2.993 0.703 76 HB VAL 14 HB VAL 14 -0.053 -1.344 0.662 77 HG11 VAL 14 1HG1 VAL 14 -0.855 -3.645 -0.222 78 HG12 VAL 14 2HG1 VAL 14 -1.943 -3.637 1.186 79 HG13 VAL 14 3HG1 VAL 14 -2.052 -2.342 -0.030 80 HG21 VAL 14 1HG2 VAL 14 -1.334 -2.457 3.181 81 HG22 VAL 14 2HG2 VAL 14 -0.207 -1.080 3.124 82 HG23 VAL 14 3HG2 VAL 14 -1.791 -0.968 2.320 83 H TYR 15 H TYR 15 3.283 -1.993 1.569 84 HA TYR 15 HA TYR 15 3.519 -1.982 4.463 85 HB2 TYR 15 1HB TYR 15 5.251 -1.498 1.983 86 HB3 TYR 15 2HB TYR 15 5.857 -1.010 3.553 87 HD1 TYR 15 2HD TYR 15 3.785 -4.035 2.971 88 HD2 TYR 15 1HD TYR 15 7.719 -2.506 3.667 89 HE1 TYR 15 2HE TYR 15 4.637 -6.395 3.380 90 HE2 TYR 15 1HE TYR 15 8.558 -4.871 4.074 91 HH TYR 15 HH TYR 15 7.928 -7.134 3.451 92 H ILE 16 H ILE 16 2.866 -0.249 5.629 93 HA ILE 16 HA ILE 16 2.276 2.215 4.346 94 HB ILE 16 HB ILE 16 2.452 1.607 7.297 95 HG12 ILE 16 1HG1 ILE 16 -0.233 1.525 6.340 96 HG13 ILE 16 2HG1 ILE 16 0.717 0.460 5.323 97 HG21 ILE 16 1HG2 ILE 16 0.446 3.371 7.055 98 HG22 ILE 16 2HG2 ILE 16 2.142 3.849 7.308 99 HG23 ILE 16 3HG2 ILE 16 1.444 3.879 5.671 100 HD11 ILE 16 1HD1 ILE 16 0.190 -0.986 7.076 101 HD12 ILE 16 2HD1 ILE 16 1.748 -0.345 7.651 102 HD13 ILE 16 3HD1 ILE 16 0.223 0.312 8.294 103 H THR 17 H THR 17 4.764 1.183 6.786 104 HA THR 17 HA THR 17 6.384 3.461 5.848 105 HB THR 17 HB THR 17 7.226 3.581 8.185 106 HG1 THR 17 1HG THR 17 6.810 1.174 8.428 107 HG21 THR 17 1HG2 THR 17 4.288 3.252 8.708 108 HG22 THR 17 2HG2 THR 17 5.361 4.613 9.113 109 HG23 THR 17 3HG2 THR 17 4.730 4.439 7.457 110 H GLU 18 H GLU 18 8.422 2.107 7.856 111 HA GLU 18 HA GLU 18 9.607 0.571 5.733 112 HB2 GLU 18 1HB GLU 18 10.793 2.351 7.228 113 HB3 GLU 18 2HB GLU 18 10.837 1.103 8.458 114 HG2 GLU 18 1HG GLU 18 12.692 0.250 7.478 115 HG3 GLU 18 2HG GLU 18 11.728 -0.170 6.076 116 H HIS 19 H HIS 19 8.347 0.174 9.077 117 HA HIS 19 HA HIS 19 8.535 -2.718 8.648 118 HB2 HIS 19 1HB HIS 19 8.745 -1.370 11.346 119 HB3 HIS 19 2HB HIS 19 9.028 -3.056 10.960 120 HD1 HIS 19 1HD HIS 19 11.233 -3.572 9.474 121 HD2 HIS 19 2HD HIS 19 10.959 0.276 11.121 122 HE1 HIS 19 1HE HIS 19 13.579 -2.576 9.356 123 H SER 20 H SER 20 6.375 -0.918 7.859 124 HA SER 20 HA SER 20 4.337 -2.073 9.572 125 HB2 SER 20 1HB SER 20 4.096 0.764 8.510 126 HB3 SER 20 2HB SER 20 3.088 -0.023 9.708 127 HG SER 20 HG SER 20 5.457 -0.198 10.797 128 H TYR 21 H TYR 21 2.554 -2.879 8.419 129 HA TYR 21 HA TYR 21 2.027 -1.988 5.748 130 HB2 TYR 21 1HB TYR 21 2.615 -4.146 4.709 131 HB3 TYR 21 2HB TYR 21 4.017 -3.636 5.628 132 HD1 TYR 21 1HD TYR 21 1.119 -5.948 5.609 133 HD2 TYR 21 2HD TYR 21 4.813 -4.909 7.501 134 HE1 TYR 21 1HE TYR 21 1.096 -8.150 6.880 135 HE2 TYR 21 2HE TYR 21 4.778 -7.114 8.765 136 HH TYR 21 HH TYR 21 3.666 -9.476 8.231 137 H VAL 22 H VAL 22 0.295 -3.650 4.746 138 HA VAL 22 HA VAL 22 -1.401 -4.602 6.937 139 HB VAL 22 HB VAL 22 -2.542 -3.173 4.556 140 HG11 VAL 22 1HG1 VAL 22 -3.892 -4.629 6.197 141 HG12 VAL 22 2HG1 VAL 22 -3.636 -3.314 7.369 142 HG13 VAL 22 3HG1 VAL 22 -4.499 -2.993 5.846 143 HG21 VAL 22 1HG2 VAL 22 -0.992 -1.564 5.489 144 HG22 VAL 22 2HG2 VAL 22 -2.652 -1.103 5.939 145 HG23 VAL 22 3HG2 VAL 22 -1.589 -1.884 7.135 146 H SER 23 H SER 23 -2.317 -6.593 6.566 147 HA SER 23 HA SER 23 -1.556 -7.806 4.055 148 HB2 SER 23 1HB SER 23 -1.586 -9.846 5.161 149 HB3 SER 23 2HB SER 23 -1.213 -8.780 6.501 150 HG SER 23 HG SER 23 -3.509 -8.750 7.033 151 H VAL 24 H VAL 24 -3.054 -7.622 2.424 152 HA VAL 24 HA VAL 24 -5.882 -7.714 3.205 153 HB VAL 24 HB VAL 24 -4.569 -6.602 0.717 154 HG11 VAL 24 1HG1 VAL 24 -6.625 -6.104 -0.125 155 HG12 VAL 24 2HG1 VAL 24 -7.093 -7.524 0.841 156 HG13 VAL 24 3HG1 VAL 24 -7.356 -5.885 1.483 157 HG21 VAL 24 1HG2 VAL 24 -5.867 -4.560 2.165 158 HG22 VAL 24 2HG2 VAL 24 -4.922 -5.481 3.359 159 HG23 VAL 24 3HG2 VAL 24 -4.117 -4.785 1.931 160 H LYS 25 H LYS 25 -7.306 -9.145 2.124 161 HA LYS 25 HA LYS 25 -5.897 -11.249 0.636 162 HB2 LYS 25 1HB LYS 25 -6.739 -12.040 2.769 163 HB3 LYS 25 2HB LYS 25 -8.336 -11.405 2.429 164 HG2 LYS 25 1HG LYS 25 -8.187 -12.918 0.255 165 HG3 LYS 25 2HG LYS 25 -6.922 -13.754 1.135 166 HD2 LYS 25 1HD LYS 25 -8.652 -13.857 3.108 167 HD3 LYS 25 2HD LYS 25 -9.850 -13.451 1.894 168 HE2 LYS 25 1HE LYS 25 -8.203 -15.545 0.798 169 HE3 LYS 25 2HE LYS 25 -8.633 -16.022 2.429 170 HZ1 LYS 25 1HZ LYS 25 -10.718 -16.330 1.812 171 HZ2 LYS 25 2HZ LYS 25 -10.826 -14.901 1.028 172 HZ3 LYS 25 3HZ LYS 25 -10.222 -16.209 0.260 173 H ALA 26 H ALA 26 -6.099 -10.616 -1.487 174 HA ALA 26 HA ALA 26 -8.864 -10.192 -2.391 175 HB1 ALA 26 1HB ALA 26 -6.403 -8.582 -2.771 176 HB2 ALA 26 2HB ALA 26 -7.336 -8.889 -4.255 177 HB3 ALA 26 3HB ALA 26 -8.114 -8.098 -2.863 178 H LYS 27 H LYS 27 -8.707 -10.437 -5.039 179 HA LYS 27 HA LYS 27 -7.777 -13.166 -5.345 180 HB2 LYS 27 1HB LYS 27 -9.459 -11.410 -7.159 181 HB3 LYS 27 2HB LYS 27 -9.099 -13.103 -7.430 182 HG2 LYS 27 1HG LYS 27 -10.343 -12.225 -4.806 183 HG3 LYS 27 2HG LYS 27 -11.351 -12.427 -6.225 184 HD2 LYS 27 1HD LYS 27 -10.466 -14.776 -6.483 185 HD3 LYS 27 2HD LYS 27 -9.534 -14.565 -5.014 186 HE2 LYS 27 1HE LYS 27 -12.566 -14.216 -5.120 187 HE3 LYS 27 2HE LYS 27 -11.794 -15.740 -4.726 188 HZ1 LYS 27 1HZ LYS 27 -12.069 -14.785 -2.694 189 HZ2 LYS 27 2HZ LYS 27 -10.545 -14.298 -3.022 190 HZ3 LYS 27 3HZ LYS 27 -11.792 -13.260 -3.208 191 H VAL 28 H VAL 28 -6.926 -13.592 -7.771 192 HA VAL 28 HA VAL 28 -4.457 -12.149 -7.874 193 HB VAL 28 HB VAL 28 -3.946 -13.701 -9.696 194 HG11 VAL 28 1HG1 VAL 28 -4.072 -14.275 -7.074 195 HG12 VAL 28 2HG1 VAL 28 -5.215 -15.496 -7.684 196 HG13 VAL 28 3HG1 VAL 28 -3.544 -15.455 -8.298 197 HG21 VAL 28 1HG2 VAL 28 -5.593 -14.497 -10.974 198 HG22 VAL 28 2HG2 VAL 28 -6.074 -15.543 -9.616 199 HG23 VAL 28 3HG2 VAL 28 -6.827 -13.943 -9.818 200 H SER 29 H SER 29 -7.632 -11.697 -9.119 201 HA SER 29 HA SER 29 -6.535 -10.028 -11.243 202 HB2 SER 29 1HB SER 29 -8.111 -11.950 -11.872 203 HB3 SER 29 2HB SER 29 -9.386 -11.083 -11.040 204 HG SER 29 HG SER 29 -9.582 -10.382 -13.129 205 H SER 30 H SER 30 -7.352 -9.775 -8.126 206 HA SER 30 HA SER 30 -9.371 -7.814 -8.187 207 HB2 SER 30 1HB SER 30 -7.740 -9.208 -6.191 208 HB3 SER 30 2HB SER 30 -7.915 -7.513 -5.783 209 HG SER 30 HG SER 30 -9.774 -8.236 -4.942 210 H ILE 31 H ILE 31 -9.197 -5.603 -8.480 211 HA ILE 31 HA ILE 31 -6.732 -4.549 -9.360 212 HB ILE 31 HB ILE 31 -8.028 -2.385 -9.304 213 HG12 ILE 31 1HG1 ILE 31 -10.422 -4.120 -8.682 214 HG13 ILE 31 2HG1 ILE 31 -9.565 -3.240 -7.433 215 HG21 ILE 31 1HG2 ILE 31 -9.041 -2.852 -11.323 216 HG22 ILE 31 2HG2 ILE 31 -7.861 -4.178 -11.195 217 HG23 ILE 31 3HG2 ILE 31 -9.574 -4.471 -10.809 218 HD11 ILE 31 1HD1 ILE 31 -9.848 -1.203 -9.173 219 HD12 ILE 31 2HD1 ILE 31 -11.235 -2.188 -9.698 220 HD13 ILE 31 3HD1 ILE 31 -11.128 -1.628 -8.012 221 H ALA 32 H ALA 32 -5.754 -2.496 -8.378 222 HA ALA 32 HA ALA 32 -4.847 -3.101 -5.810 223 HB1 ALA 32 1HB ALA 32 -3.585 -1.107 -6.022 224 HB2 ALA 32 2HB ALA 32 -3.791 -1.682 -7.694 225 HB3 ALA 32 3HB ALA 32 -4.799 -0.349 -7.081 226 H GLN 33 H GLN 33 -7.385 -0.840 -7.025 227 HA GLN 33 HA GLN 33 -7.903 0.508 -4.746 228 HB2 GLN 33 1HB GLN 33 -9.020 1.081 -6.809 229 HB3 GLN 33 2HB GLN 33 -9.785 -0.491 -6.918 230 HG2 GLN 33 1HG GLN 33 -11.566 0.656 -6.003 231 HG3 GLN 33 2HG GLN 33 -10.762 0.235 -4.503 232 HE21 GLN 33 1HE2 GLN 33 -9.054 1.783 -3.759 233 HE22 GLN 33 2HE2 GLN 33 -9.378 3.479 -3.893 234 H GLU 34 H GLU 34 -8.941 -2.810 -5.658 235 HA GLU 34 HA GLU 34 -10.759 -3.171 -3.618 236 HB2 GLU 34 1HB GLU 34 -9.006 -5.100 -5.181 237 HB3 GLU 34 2HB GLU 34 -10.143 -5.670 -3.977 238 HG2 GLU 34 1HG GLU 34 -11.427 -3.722 -5.742 239 HG3 GLU 34 2HG GLU 34 -10.698 -5.007 -6.684 240 H ILE 35 H ILE 35 -7.346 -2.738 -3.489 241 HA ILE 35 HA ILE 35 -7.177 -4.131 -0.920 242 HB ILE 35 HB ILE 35 -4.900 -2.962 -2.503 243 HG12 ILE 35 1HG1 ILE 35 -5.908 -4.418 -4.073 244 HG13 ILE 35 2HG1 ILE 35 -4.563 -5.300 -3.377 245 HG21 ILE 35 1HG2 ILE 35 -3.530 -3.957 -1.024 246 HG22 ILE 35 2HG2 ILE 35 -4.954 -3.903 0.041 247 HG23 ILE 35 3HG2 ILE 35 -4.570 -5.391 -0.856 248 HD11 ILE 35 1HD1 ILE 35 -6.771 -6.595 -3.592 249 HD12 ILE 35 2HD1 ILE 35 -6.006 -6.628 -1.985 250 HD13 ILE 35 3HD1 ILE 35 -7.395 -5.557 -2.287 251 H LEU 36 H LEU 36 -6.392 -0.978 -2.536 252 HA LEU 36 HA LEU 36 -5.626 0.378 -0.265 253 HB2 LEU 36 1HB LEU 36 -5.372 1.106 -2.622 254 HB3 LEU 36 2HB LEU 36 -7.085 1.471 -2.673 255 HG LEU 36 HG LEU 36 -6.576 3.028 -0.641 256 HD11 LEU 36 1HD1 LEU 36 -3.890 3.468 -1.777 257 HD12 LEU 36 2HD1 LEU 36 -4.460 3.544 -0.093 258 HD13 LEU 36 3HD1 LEU 36 -4.077 1.971 -0.833 259 HD21 LEU 36 1HD2 LEU 36 -6.034 3.499 -3.549 260 HD22 LEU 36 2HD2 LEU 36 -7.337 4.123 -2.510 261 HD23 LEU 36 3HD2 LEU 36 -5.694 4.794 -2.376 262 H LYS 37 H LYS 37 -8.899 -0.304 -1.580 263 HA LYS 37 HA LYS 37 -10.275 1.380 0.184 264 HB2 LYS 37 1HB LYS 37 -12.248 0.119 -0.501 265 HB3 LYS 37 2HB LYS 37 -11.248 0.523 -1.882 266 HG2 LYS 37 1HG LYS 37 -11.287 -1.683 -2.424 267 HG3 LYS 37 2HG LYS 37 -10.219 -1.954 -1.061 268 HD2 LYS 37 1HD LYS 37 -12.137 -2.347 0.434 269 HD3 LYS 37 2HD LYS 37 -13.264 -1.915 -0.837 270 HE2 LYS 37 1HE LYS 37 -11.708 -3.911 -2.041 271 HE3 LYS 37 2HE LYS 37 -11.837 -4.465 -0.383 272 HZ1 LYS 37 1HZ LYS 37 -13.992 -4.860 -0.638 273 HZ2 LYS 37 2HZ LYS 37 -14.290 -3.480 -1.458 274 HZ3 LYS 37 3HZ LYS 37 -13.715 -4.790 -2.246 275 H VAL 38 H VAL 38 -8.827 -1.838 0.519 276 HA VAL 38 HA VAL 38 -10.240 -2.357 2.977 277 HB VAL 38 HB VAL 38 -7.899 -3.832 1.769 278 HG11 VAL 38 1HG1 VAL 38 -8.124 -4.869 3.775 279 HG12 VAL 38 2HG1 VAL 38 -9.804 -4.323 3.994 280 HG13 VAL 38 3HG1 VAL 38 -9.450 -5.714 2.941 281 HG21 VAL 38 1HG2 VAL 38 -10.775 -4.598 1.292 282 HG22 VAL 38 2HG2 VAL 38 -9.958 -3.426 0.231 283 HG23 VAL 38 3HG2 VAL 38 -9.313 -5.076 0.396 284 H VAL 39 H VAL 39 -6.767 -1.881 2.001 285 HA VAL 39 HA VAL 39 -5.679 -1.779 4.493 286 HB VAL 39 HB VAL 39 -4.994 -0.197 2.009 287 HG11 VAL 39 1HG1 VAL 39 -4.030 0.409 4.467 288 HG12 VAL 39 2HG1 VAL 39 -2.874 -0.854 3.981 289 HG13 VAL 39 3HG1 VAL 39 -3.093 0.590 2.964 290 HG21 VAL 39 1HG2 VAL 39 -5.004 -2.641 1.707 291 HG22 VAL 39 2HG2 VAL 39 -3.358 -1.973 1.603 292 HG23 VAL 39 3HG2 VAL 39 -3.886 -2.815 3.080 293 H ALA 40 H ALA 40 -6.985 1.028 2.586 294 HA ALA 40 HA ALA 40 -6.557 3.055 4.271 295 HB1 ALA 40 1HB ALA 40 -8.997 3.758 3.503 296 HB2 ALA 40 2HB ALA 40 -7.675 3.625 2.319 297 HB3 ALA 40 3HB ALA 40 -8.858 2.305 2.484 298 H GLU 41 H GLU 41 -9.135 0.545 4.605 299 HA GLU 41 HA GLU 41 -10.221 1.734 6.902 300 HB2 GLU 41 1HB GLU 41 -10.436 -1.202 6.136 301 HB3 GLU 41 2HB GLU 41 -11.588 -0.248 7.050 302 HG2 GLU 41 1HG GLU 41 -11.108 1.064 4.507 303 HG3 GLU 41 2HG GLU 41 -11.472 -0.624 4.207 304 H LYS 42 H LYS 42 -7.850 -0.927 6.315 305 HA LYS 42 HA LYS 42 -7.583 -1.826 8.897 306 HB2 LYS 42 1HB LYS 42 -6.110 -1.989 6.392 307 HB3 LYS 42 2HB LYS 42 -5.023 -1.951 7.765 308 HG2 LYS 42 1HG LYS 42 -5.766 -4.279 7.150 309 HG3 LYS 42 2HG LYS 42 -6.141 -3.850 8.808 310 HD2 LYS 42 1HD LYS 42 -8.234 -4.620 8.254 311 HD3 LYS 42 2HD LYS 42 -8.441 -3.000 7.619 312 HE2 LYS 42 1HE LYS 42 -8.607 -3.774 5.488 313 HE3 LYS 42 2HE LYS 42 -7.105 -4.666 5.632 314 HZ1 LYS 42 1HZ LYS 42 -9.507 -5.705 6.909 315 HZ2 LYS 42 2HZ LYS 42 -9.294 -5.920 5.305 316 HZ3 LYS 42 3HZ LYS 42 -8.201 -6.517 6.360 317 H ILE 43 H ILE 43 -6.500 1.194 7.406 318 HA ILE 43 HA ILE 43 -5.007 1.812 9.851 319 HB ILE 43 HB ILE 43 -3.715 3.281 8.641 320 HG12 ILE 43 1HG1 ILE 43 -5.723 3.274 6.370 321 HG13 ILE 43 2HG1 ILE 43 -5.655 4.495 7.625 322 HG21 ILE 43 1HG2 ILE 43 -3.695 0.739 7.902 323 HG22 ILE 43 2HG2 ILE 43 -4.207 1.434 6.345 324 HG23 ILE 43 3HG2 ILE 43 -2.679 1.957 7.094 325 HD11 ILE 43 1HD1 ILE 43 -3.544 3.852 5.532 326 HD12 ILE 43 2HD1 ILE 43 -4.386 5.395 5.811 327 HD13 ILE 43 3HD1 ILE 43 -3.171 4.821 6.978 328 H GLN 44 H GLN 44 -7.962 2.350 8.118 329 HA GLN 44 HA GLN 44 -9.746 3.465 8.710 330 HB2 GLN 44 1HB GLN 44 -8.221 4.782 10.992 331 HB3 GLN 44 2HB GLN 44 -9.959 4.620 10.834 332 HG2 GLN 44 1HG GLN 44 -9.563 2.054 10.805 333 HG3 GLN 44 2HG GLN 44 -7.926 2.405 11.324 334 HE21 GLN 44 1HE2 GLN 44 -8.074 1.505 13.312 335 HE22 GLN 44 2HE2 GLN 44 -9.045 2.124 14.607 336 H TYR 45 H TYR 45 -8.495 4.386 6.575 337 HA TYR 45 HA TYR 45 -8.504 7.300 6.946 338 HB2 TYR 45 1HB TYR 45 -6.412 5.418 6.086 339 HB3 TYR 45 2HB TYR 45 -6.827 6.455 4.736 340 HD1 TYR 45 1HD TYR 45 -5.687 6.502 8.283 341 HD2 TYR 45 2HD TYR 45 -6.034 8.687 4.621 342 HE1 TYR 45 1HE TYR 45 -4.206 8.339 9.230 343 HE2 TYR 45 2HE TYR 45 -4.552 10.517 5.581 344 HH TYR 45 HH TYR 45 -3.147 10.181 8.824 345 H ALA 46 H ALA 46 -8.064 7.906 4.184 346 HA ALA 46 HA ALA 46 -10.567 6.850 3.061 347 HB1 ALA 46 1HB ALA 46 -11.100 9.048 3.043 348 HB2 ALA 46 2HB ALA 46 -9.418 9.546 3.344 349 HB3 ALA 46 3HB ALA 46 -9.954 9.180 1.687 350 H GLU 47 H GLU 47 -9.945 5.140 1.782 351 HA GLU 47 HA GLU 47 -7.587 4.705 0.627 352 HB2 GLU 47 1HB GLU 47 -8.887 3.413 -1.148 353 HB3 GLU 47 2HB GLU 47 -9.285 3.022 0.513 354 HG2 GLU 47 1HG GLU 47 -11.271 4.507 0.419 355 HG3 GLU 47 2HG GLU 47 -10.854 4.998 -1.210 356 H GLU 48 H GLU 48 -10.251 6.758 -0.683 357 HA GLU 48 HA GLU 48 -9.120 7.230 -3.146 358 HB2 GLU 48 1HB GLU 48 -10.589 9.267 -3.169 359 HB3 GLU 48 2HB GLU 48 -11.432 7.811 -2.682 360 HG2 GLU 48 1HG GLU 48 -10.686 8.612 -0.225 361 HG3 GLU 48 2HG GLU 48 -10.609 10.180 -1.005 362 H ASP 49 H ASP 49 -8.505 8.681 0.059 363 HA ASP 49 HA ASP 49 -6.974 10.807 -1.025 364 HB2 ASP 49 1HB ASP 49 -7.034 9.701 1.822 365 HB3 ASP 49 2HB ASP 49 -6.404 11.265 1.346 366 H LEU 50 H LEU 50 -6.516 7.440 -0.415 367 HA LEU 50 HA LEU 50 -3.623 7.766 -0.092 368 HB2 LEU 50 1HB LEU 50 -5.475 5.439 0.423 369 HB3 LEU 50 2HB LEU 50 -3.728 5.314 0.464 370 HG LEU 50 HG LEU 50 -3.554 6.309 2.484 371 HD11 LEU 50 1HD1 LEU 50 -6.011 8.016 2.027 372 HD12 LEU 50 2HD1 LEU 50 -4.743 8.222 3.260 373 HD13 LEU 50 3HD1 LEU 50 -4.366 8.492 1.541 374 HD21 LEU 50 1HD2 LEU 50 -5.208 5.592 3.977 375 HD22 LEU 50 2HD2 LEU 50 -6.511 5.803 2.784 376 HD23 LEU 50 3HD2 LEU 50 -5.342 4.474 2.598 377 H ALA 51 H ALA 51 -2.516 5.625 -1.225 378 HA ALA 51 HA ALA 51 -3.664 4.975 -3.749 379 HB1 ALA 51 1HB ALA 51 -2.996 7.109 -4.503 380 HB2 ALA 51 2HB ALA 51 -1.494 7.077 -3.548 381 HB3 ALA 51 3HB ALA 51 -1.653 6.048 -4.991 382 H LEU 52 H LEU 52 -2.450 3.286 -4.808 383 HA LEU 52 HA LEU 52 -0.810 1.841 -2.933 384 HB2 LEU 52 1HB LEU 52 -1.898 1.212 -5.676 385 HB3 LEU 52 2HB LEU 52 -0.846 0.127 -4.788 386 HG LEU 52 HG LEU 52 -2.768 -0.776 -4.068 387 HD11 LEU 52 1HD1 LEU 52 -1.901 0.176 -2.019 388 HD12 LEU 52 2HD1 LEU 52 -2.766 1.702 -2.324 389 HD13 LEU 52 3HD1 LEU 52 -3.681 0.211 -1.996 390 HD21 LEU 52 1HD2 LEU 52 -4.390 1.751 -4.240 391 HD22 LEU 52 2HD2 LEU 52 -3.973 0.830 -5.705 392 HD23 LEU 52 3HD2 LEU 52 -4.908 0.056 -4.403 393 H VAL 53 H VAL 53 1.299 2.354 -2.708 394 HA VAL 53 HA VAL 53 2.696 3.320 -5.094 395 HB VAL 53 HB VAL 53 3.091 3.655 -2.133 396 HG11 VAL 53 1HG1 VAL 53 5.283 3.026 -3.052 397 HG12 VAL 53 2HG1 VAL 53 5.136 4.302 -4.284 398 HG13 VAL 53 3HG1 VAL 53 5.250 4.737 -2.562 399 HG21 VAL 53 1HG2 VAL 53 1.862 5.462 -2.749 400 HG22 VAL 53 2HG2 VAL 53 3.452 6.094 -3.241 401 HG23 VAL 53 3HG2 VAL 53 2.370 5.366 -4.453 402 H ALA 54 H ALA 54 3.682 1.719 -6.217 403 HA ALA 54 HA ALA 54 4.681 -0.573 -4.703 404 HB1 ALA 54 1HB ALA 54 3.142 -0.504 -6.918 405 HB2 ALA 54 2HB ALA 54 4.746 -0.479 -7.689 406 HB3 ALA 54 3HB ALA 54 4.304 -1.812 -6.596 407 H ILE 55 H ILE 55 6.788 -0.580 -4.119 408 HA ILE 55 HA ILE 55 8.583 1.217 -5.547 409 HB ILE 55 HB ILE 55 9.111 -0.355 -3.029 410 HG12 ILE 55 1HG1 ILE 55 7.631 2.226 -3.432 411 HG13 ILE 55 2HG1 ILE 55 7.260 0.882 -2.370 412 HG21 ILE 55 1HG2 ILE 55 11.081 0.519 -4.224 413 HG22 ILE 55 2HG2 ILE 55 10.394 2.159 -4.134 414 HG23 ILE 55 3HG2 ILE 55 10.843 1.299 -2.641 415 HD11 ILE 55 1HD1 ILE 55 8.119 2.850 -1.106 416 HD12 ILE 55 2HD1 ILE 55 9.192 1.441 -0.927 417 HD13 ILE 55 3HD1 ILE 55 9.640 2.766 -2.028 418 H THR 56 H THR 56 10.774 0.422 -6.154 419 HA THR 56 HA THR 56 10.626 -2.404 -6.978 420 HB THR 56 HB THR 56 10.440 -0.758 -8.856 421 HG1 THR 56 1HG THR 56 11.915 -2.052 -9.938 422 HG21 THR 56 1HG2 THR 56 12.099 0.854 -9.323 423 HG22 THR 56 2HG2 THR 56 12.025 0.954 -7.547 424 HG23 THR 56 3HG2 THR 56 13.321 0.021 -8.333 425 H PHE 57 H PHE 57 13.044 -3.139 -7.592 426 HA PHE 57 HA PHE 57 14.322 -3.417 -5.152 427 HB2 PHE 57 1HB PHE 57 14.426 -4.515 -7.678 428 HB3 PHE 57 2HB PHE 57 15.860 -3.512 -7.760 429 HD1 PHE 57 2HD PHE 57 14.330 -5.757 -5.185 430 HD2 PHE 57 1HD PHE 57 17.800 -4.674 -7.373 431 HE1 PHE 57 2HE PHE 57 15.639 -7.533 -3.987 432 HE2 PHE 57 1HE PHE 57 19.109 -6.450 -6.176 433 HZ PHE 57 HZ PHE 57 18.013 -7.858 -4.497 434 H SER 58 H SER 58 15.297 -1.411 -8.029 435 HA SER 58 HA SER 58 17.551 -0.348 -7.118 436 HB2 SER 58 1HB SER 58 15.574 0.339 -9.074 437 HB3 SER 58 2HB SER 58 15.988 1.821 -8.237 438 HG SER 58 HG SER 58 17.372 1.317 -10.111 439 H GLY 59 H GLY 59 14.253 0.339 -5.970 440 HA2 GLY 59 1HA GLY 59 13.823 1.121 -3.815 441 HA3 GLY 59 2HA GLY 59 15.392 1.900 -3.765 442 H GLU 60 H GLU 60 12.310 1.992 -5.696 443 HA GLU 60 HA GLU 60 12.317 4.851 -5.345 444 HB2 GLU 60 1HB GLU 60 12.464 5.455 -7.570 445 HB3 GLU 60 2HB GLU 60 13.479 4.027 -7.607 446 HG2 GLU 60 1HG GLU 60 11.293 2.708 -8.155 447 HG3 GLU 60 2HG GLU 60 10.574 4.273 -8.477 448 H LYS 61 H LYS 61 10.239 5.645 -5.060 449 HA LYS 61 HA LYS 61 8.156 3.730 -4.836 450 HB2 LYS 61 1HB LYS 61 8.376 6.710 -4.442 451 HB3 LYS 61 2HB LYS 61 6.815 5.916 -4.399 452 HG2 LYS 61 1HG LYS 61 7.205 5.225 -2.278 453 HG3 LYS 61 2HG LYS 61 8.609 4.324 -2.814 454 HD2 LYS 61 1HD LYS 61 9.108 7.238 -2.659 455 HD3 LYS 61 2HD LYS 61 8.644 6.547 -1.117 456 HE2 LYS 61 1HE LYS 61 10.909 6.101 -0.997 457 HE3 LYS 61 2HE LYS 61 10.422 4.649 -1.849 458 HZ1 LYS 61 1HZ LYS 61 10.853 6.804 -3.625 459 HZ2 LYS 61 2HZ LYS 61 12.186 6.502 -2.731 460 HZ3 LYS 61 3HZ LYS 61 11.518 5.312 -3.629 461 H HIS 62 H HIS 62 6.166 3.629 -6.035 462 HA HIS 62 HA HIS 62 6.088 5.124 -8.505 463 HB2 HIS 62 1HB HIS 62 7.168 2.518 -8.451 464 HB3 HIS 62 2HB HIS 62 5.552 2.344 -9.106 465 HD1 HIS 62 1HD HIS 62 8.493 4.758 -9.681 466 HD2 HIS 62 2HD HIS 62 5.547 2.661 -11.807 467 HE1 HIS 62 1HE HIS 62 8.894 5.267 -12.149 468 H GLU 63 H GLU 63 4.004 5.694 -8.987 469 HA GLU 63 HA GLU 63 1.976 4.389 -7.358 470 HB2 GLU 63 1HB GLU 63 2.569 7.077 -7.609 471 HB3 GLU 63 2HB GLU 63 1.264 6.906 -8.766 472 HG2 GLU 63 1HG GLU 63 0.592 5.434 -6.349 473 HG3 GLU 63 2HG GLU 63 1.066 7.065 -5.915 474 H LEU 64 H LEU 64 0.056 3.569 -8.315 475 HA LEU 64 HA LEU 64 0.077 3.573 -11.253 476 HB2 LEU 64 1HB LEU 64 -1.099 1.234 -9.909 477 HB3 LEU 64 2HB LEU 64 -0.152 1.345 -11.380 478 HG LEU 64 HG LEU 64 1.828 1.835 -9.681 479 HD11 LEU 64 1HD1 LEU 64 0.971 -0.085 -7.811 480 HD12 LEU 64 2HD1 LEU 64 1.308 1.641 -7.534 481 HD13 LEU 64 3HD1 LEU 64 -0.344 1.109 -7.931 482 HD21 LEU 64 1HD2 LEU 64 2.330 0.032 -10.924 483 HD22 LEU 64 2HD2 LEU 64 1.834 -0.877 -9.476 484 HD23 LEU 64 3HD2 LEU 64 0.685 -0.638 -10.814 485 H GLN 65 H GLN 65 -2.436 2.098 -11.403 486 HA GLN 65 HA GLN 65 -4.149 4.291 -10.579 487 HB2 GLN 65 1HB GLN 65 -4.208 2.274 -12.806 488 HB3 GLN 65 2HB GLN 65 -5.750 2.853 -12.209 489 HG2 GLN 65 1HG GLN 65 -3.951 5.114 -12.508 490 HG3 GLN 65 2HG GLN 65 -3.945 4.184 -13.994 491 HE21 GLN 65 1HE2 GLN 65 -4.910 6.597 -14.217 492 HE22 GLN 65 2HE2 GLN 65 -6.637 6.645 -14.344 493 HA PRO 66 HA PRO 66 -6.345 1.768 -7.815 494 HB2 PRO 66 1HB PRO 66 -8.932 2.620 -8.041 495 HB3 PRO 66 2HB PRO 66 -7.711 3.494 -7.138 496 HG2 PRO 66 1HG PRO 66 -8.862 4.123 -9.787 497 HG3 PRO 66 2HG PRO 66 -7.982 5.174 -8.695 498 HD2 PRO 66 1HD PRO 66 -6.971 3.946 -11.082 499 HD3 PRO 66 2HD PRO 66 -6.061 4.901 -9.929 500 H ASN 67 H ASN 67 -6.739 1.369 -11.061 501 HA ASN 67 HA ASN 67 -8.474 -0.920 -10.585 502 HB2 ASN 67 1HB ASN 67 -8.029 0.936 -12.917 503 HB3 ASN 67 2HB ASN 67 -8.375 -0.736 -13.312 504 HD21 ASN 67 1HD2 ASN 67 -9.925 1.758 -13.649 505 HD22 ASN 67 2HD2 ASN 67 -11.466 1.492 -12.905 506 H ASP 68 H ASP 68 -5.252 -0.017 -10.850 507 HA ASP 68 HA ASP 68 -4.297 -1.870 -12.712 508 HB2 ASP 68 1HB ASP 68 -3.086 0.183 -11.814 509 HB3 ASP 68 2HB ASP 68 -2.850 -0.674 -10.304 510 H LEU 69 H LEU 69 -3.812 -4.076 -12.420 511 HA LEU 69 HA LEU 69 -4.819 -5.456 -10.248 512 HB2 LEU 69 1HB LEU 69 -3.661 -6.028 -12.724 513 HB3 LEU 69 2HB LEU 69 -2.626 -6.828 -11.558 514 HG LEU 69 HG LEU 69 -4.409 -8.161 -10.721 515 HD11 LEU 69 1HD1 LEU 69 -6.748 -7.842 -11.877 516 HD12 LEU 69 2HD1 LEU 69 -6.283 -6.860 -10.468 517 HD13 LEU 69 3HD1 LEU 69 -6.170 -6.175 -12.107 518 HD21 LEU 69 1HD2 LEU 69 -3.412 -8.879 -12.862 519 HD22 LEU 69 2HD2 LEU 69 -5.098 -9.417 -12.674 520 HD23 LEU 69 3HD2 LEU 69 -4.716 -8.038 -13.734 521 H VAL 70 H VAL 70 -3.830 -6.496 -8.434 522 HA VAL 70 HA VAL 70 -1.339 -5.163 -7.632 523 HB VAL 70 HB VAL 70 -2.380 -6.150 -5.337 524 HG11 VAL 70 1HG1 VAL 70 -2.963 -3.476 -6.651 525 HG12 VAL 70 2HG1 VAL 70 -3.220 -3.835 -4.926 526 HG13 VAL 70 3HG1 VAL 70 -1.577 -3.887 -5.611 527 HG21 VAL 70 1HG2 VAL 70 -4.749 -5.419 -7.091 528 HG22 VAL 70 2HG2 VAL 70 -4.411 -7.002 -6.350 529 HG23 VAL 70 3HG2 VAL 70 -4.809 -5.605 -5.321 530 H ILE 71 H ILE 71 -1.071 -7.279 -9.404 531 HA ILE 71 HA ILE 71 0.556 -9.013 -7.928 532 HB ILE 71 HB ILE 71 -1.942 -9.750 -7.465 533 HG12 ILE 71 1HG1 ILE 71 -0.583 -12.212 -7.868 534 HG13 ILE 71 2HG1 ILE 71 0.636 -11.026 -7.447 535 HG21 ILE 71 1HG2 ILE 71 -2.953 -11.131 -8.984 536 HG22 ILE 71 2HG2 ILE 71 -2.156 -9.981 -10.084 537 HG23 ILE 71 3HG2 ILE 71 -1.422 -11.573 -9.777 538 HD11 ILE 71 1HD1 ILE 71 -0.492 -10.436 -5.398 539 HD12 ILE 71 2HD1 ILE 71 -1.962 -11.315 -5.881 540 HD13 ILE 71 3HD1 ILE 71 -0.482 -12.215 -5.473 541 H SER 72 H SER 72 0.764 -11.186 -9.627 542 HA SER 72 HA SER 72 1.527 -11.828 -11.555 543 HB2 SER 72 1HB SER 72 -0.518 -9.853 -12.331 544 HB3 SER 72 2HB SER 72 0.745 -10.003 -13.537 545 HG SER 72 HG SER 72 -0.100 -11.868 -14.133 546 H LYS 73 H LYS 73 3.634 -11.648 -12.262 547 HA LYS 73 HA LYS 73 4.699 -8.941 -12.596 548 HB2 LYS 73 1HB LYS 73 5.377 -10.775 -10.495 549 HB3 LYS 73 2HB LYS 73 6.765 -10.600 -11.551 550 HG2 LYS 73 1HG LYS 73 7.145 -8.732 -10.257 551 HG3 LYS 73 2HG LYS 73 6.047 -7.987 -11.402 552 HD2 LYS 73 1HD LYS 73 4.367 -9.204 -9.463 553 HD3 LYS 73 2HD LYS 73 5.672 -8.486 -8.541 554 HE2 LYS 73 1HE LYS 73 3.818 -7.083 -10.515 555 HE3 LYS 73 2HE LYS 73 3.941 -6.800 -8.790 556 HZ1 LYS 73 1HZ LYS 73 6.432 -6.363 -9.547 557 HZ2 LYS 73 2HZ LYS 73 5.656 -5.889 -10.903 558 HZ3 LYS 73 3HZ LYS 73 5.301 -5.187 -9.472 559 H SER 74 H SER 74 6.282 -8.732 -14.237 560 HA SER 74 HA SER 74 5.947 -10.418 -16.372 561 HB2 SER 74 1HB SER 74 8.256 -8.528 -15.736 562 HB3 SER 74 2HB SER 74 7.979 -9.245 -17.311 563 HG SER 74 HG SER 74 5.925 -7.722 -15.976 564 H LEU 75 H LEU 75 9.061 -9.969 -14.533 565 HA LEU 75 HA LEU 75 9.421 -12.865 -14.611 566 HB2 LEU 75 1HB LEU 75 11.177 -10.804 -15.884 567 HB3 LEU 75 2HB LEU 75 11.906 -12.233 -15.178 568 HG LEU 75 HG LEU 75 9.807 -13.223 -16.752 569 HD11 LEU 75 1HD1 LEU 75 9.542 -12.019 -18.614 570 HD12 LEU 75 2HD1 LEU 75 10.247 -10.671 -17.689 571 HD13 LEU 75 3HD1 LEU 75 11.281 -11.663 -18.745 572 HD21 LEU 75 1HD2 LEU 75 12.799 -13.131 -16.969 573 HD22 LEU 75 2HD2 LEU 75 11.720 -14.506 -16.632 574 HD23 LEU 75 3HD2 LEU 75 11.830 -13.844 -18.281 575 H GLU 76 H GLU 76 10.739 -9.670 -13.509 576 HA GLU 76 HA GLU 76 12.255 -10.567 -11.464 577 HB2 GLU 76 1HB GLU 76 10.703 -8.043 -11.973 578 HB3 GLU 76 2HB GLU 76 11.376 -8.264 -10.370 579 HG2 GLU 76 1HG GLU 76 12.961 -8.434 -12.978 580 HG3 GLU 76 2HG GLU 76 12.948 -7.056 -11.896 581 H ALA 77 H ALA 77 11.912 -11.538 -9.495 582 HA ALA 77 HA ALA 77 9.110 -11.727 -8.630 583 HB1 ALA 77 1HB ALA 77 9.702 -13.924 -8.970 584 HB2 ALA 77 2HB ALA 77 11.432 -13.617 -8.679 585 HB3 ALA 77 3HB ALA 77 10.305 -13.735 -7.306 586 H SER 78 H SER 78 9.490 -9.496 -7.703 587 HA SER 78 HA SER 78 9.917 -9.709 -4.990 588 HB2 SER 78 1HB SER 78 12.371 -9.609 -6.291 589 HB3 SER 78 2HB SER 78 12.096 -7.921 -5.910 590 HG SER 78 HG SER 78 11.416 -9.335 -3.709 591 H GLY 79 H GLY 79 9.525 -7.605 -3.895 592 HA2 GLY 79 1HA GLY 79 9.387 -5.120 -4.748 593 HA3 GLY 79 2HA GLY 79 8.041 -5.793 -5.645 594 H ARG 80 H ARG 80 7.186 -3.899 -4.042 595 HA ARG 80 HA ARG 80 5.610 -5.287 -2.187 596 HB2 ARG 80 1HB ARG 80 8.082 -4.002 -1.207 597 HB3 ARG 80 2HB ARG 80 6.658 -3.360 -0.412 598 HG2 ARG 80 1HG ARG 80 6.133 -5.380 0.608 599 HG3 ARG 80 2HG ARG 80 6.763 -6.342 -0.714 600 HD2 ARG 80 1HD ARG 80 8.980 -4.894 0.432 601 HD3 ARG 80 2HD ARG 80 8.080 -5.610 1.754 602 HE ARG 80 HE ARG 80 8.624 -7.772 0.961 603 HH11 ARG 80 2HH2 ARG 80 9.600 -5.322 -1.370 604 HH12 ARG 80 1HH2 ARG 80 10.547 -6.419 -2.318 605 HH21 ARG 80 2HH1 ARG 80 9.874 -9.219 -0.290 606 HH22 ARG 80 1HH1 ARG 80 10.704 -8.651 -1.700 607 H ILE 81 H ILE 81 3.691 -4.112 -1.877 608 HA ILE 81 HA ILE 81 3.613 -1.515 -3.182 609 HB ILE 81 HB ILE 81 1.513 -3.487 -2.303 610 HG12 ILE 81 1HG1 ILE 81 1.043 -3.085 -4.898 611 HG13 ILE 81 2HG1 ILE 81 2.744 -2.661 -4.899 612 HG21 ILE 81 1HG2 ILE 81 -0.044 -1.810 -3.528 613 HG22 ILE 81 2HG2 ILE 81 0.402 -1.510 -1.831 614 HG23 ILE 81 3HG2 ILE 81 1.215 -0.615 -3.136 615 HD11 ILE 81 1HD1 ILE 81 1.588 -5.278 -4.862 616 HD12 ILE 81 2HD1 ILE 81 3.315 -4.847 -4.820 617 HD13 ILE 81 3HD1 ILE 81 2.410 -5.047 -3.300 618 H TYR 82 H TYR 82 2.589 0.344 -2.145 619 HA TYR 82 HA TYR 82 2.535 0.161 0.780 620 HB2 TYR 82 1HB TYR 82 3.925 2.187 -1.081 621 HB3 TYR 82 2HB TYR 82 3.734 2.461 0.640 622 HD1 TYR 82 1HD TYR 82 5.071 -0.177 -1.679 623 HD2 TYR 82 2HD TYR 82 5.516 1.919 2.024 624 HE1 TYR 82 1HE TYR 82 7.251 -1.409 -1.235 625 HE2 TYR 82 2HE TYR 82 7.694 0.680 2.456 626 HH TYR 82 HH TYR 82 8.628 -2.027 0.585 627 H VAL 83 H VAL 83 1.699 2.467 1.634 628 HA VAL 83 HA VAL 83 -0.330 3.491 -0.194 629 HB VAL 83 HB VAL 83 -1.679 1.964 0.857 630 HG11 VAL 83 1HG1 VAL 83 -1.325 1.974 3.609 631 HG12 VAL 83 2HG1 VAL 83 -0.723 0.741 2.475 632 HG13 VAL 83 3HG1 VAL 83 0.336 2.081 2.977 633 HG21 VAL 83 1HG2 VAL 83 -2.105 4.584 1.452 634 HG22 VAL 83 2HG2 VAL 83 -3.230 3.267 1.864 635 HG23 VAL 83 3HG2 VAL 83 -2.084 3.874 3.084 636 H TYR 84 H TYR 84 0.101 5.629 -0.323 637 HA TYR 84 HA TYR 84 1.159 6.924 2.092 638 HB2 TYR 84 1HB TYR 84 1.221 7.418 -0.940 639 HB3 TYR 84 2HB TYR 84 1.707 8.677 0.178 640 HD1 TYR 84 1HD TYR 84 2.392 4.991 -0.158 641 HD2 TYR 84 2HD TYR 84 3.999 8.924 0.341 642 HE1 TYR 84 1HE TYR 84 4.744 4.029 -0.089 643 HE2 TYR 84 2HE TYR 84 6.346 7.949 0.408 644 HH TYR 84 HH TYR 84 7.537 6.136 0.492 645 H ARG 85 H ARG 85 0.575 9.428 2.054 646 HA ARG 85 HA ARG 85 -2.312 9.474 1.763 647 HB2 ARG 85 1HB ARG 85 -0.387 11.085 3.502 648 HB3 ARG 85 2HB ARG 85 -2.072 11.533 3.326 649 HG2 ARG 85 1HG ARG 85 -2.775 9.301 4.176 650 HG3 ARG 85 2HG ARG 85 -1.099 8.807 4.305 651 HD2 ARG 85 1HD ARG 85 -2.362 11.140 5.827 652 HD3 ARG 85 2HD ARG 85 -2.028 9.559 6.505 653 HE ARG 85 HE ARG 85 0.291 10.055 6.532 654 HH11 ARG 85 2HH2 ARG 85 -1.505 12.579 4.863 655 HH12 ARG 85 1HH2 ARG 85 -0.178 13.691 4.849 656 HH21 ARG 85 2HH1 ARG 85 2.043 11.522 6.512 657 HH22 ARG 85 1HH1 ARG 85 1.854 13.086 5.793 658 H LYS 86 H LYS 86 -3.335 11.126 0.538 659 HA LYS 86 HA LYS 86 -1.548 12.558 -1.242 660 HB2 LYS 86 1HB LYS 86 -4.504 11.950 -1.238 661 HB3 LYS 86 2HB LYS 86 -3.825 13.152 -2.317 662 HG2 LYS 86 1HG LYS 86 -2.078 11.259 -2.922 663 HG3 LYS 86 2HG LYS 86 -3.260 10.174 -2.217 664 HD2 LYS 86 1HD LYS 86 -4.973 10.874 -3.802 665 HD3 LYS 86 2HD LYS 86 -3.980 12.195 -4.385 666 HE2 LYS 86 1HE LYS 86 -2.242 10.335 -5.027 667 HE3 LYS 86 2HE LYS 86 -3.571 9.213 -4.816 668 HZ1 LYS 86 1HZ LYS 86 -3.381 11.424 -6.722 669 HZ2 LYS 86 2HZ LYS 86 -3.629 9.839 -7.029 670 HZ3 LYS 86 3HZ LYS 86 -4.818 10.737 -6.361 671 H ASP 87 H ASP 87 -0.904 14.601 -0.851 672 HA ASP 87 HA ASP 87 -2.743 16.490 0.137 673 HB2 ASP 87 1HB ASP 87 -0.442 15.591 1.930 674 HB3 ASP 87 2HB ASP 87 -1.287 17.110 2.155 675 H LEU 88 H LEU 88 -2.056 18.497 -0.696 676 HA LEU 88 HA LEU 88 -0.814 19.990 -1.743 677 HB2 LEU 88 1HB LEU 88 1.294 18.699 -0.030 678 HB3 LEU 88 2HB LEU 88 1.683 20.011 -1.125 679 HG LEU 88 HG LEU 88 -0.159 20.078 1.271 680 HD11 LEU 88 1HD1 LEU 88 1.431 22.074 1.765 681 HD12 LEU 88 2HD1 LEU 88 1.998 20.409 2.042 682 HD13 LEU 88 3HD1 LEU 88 2.503 21.289 0.579 683 HD21 LEU 88 1HD2 LEU 88 -1.421 21.402 -0.110 684 HD22 LEU 88 2HD2 LEU 88 -0.288 22.607 0.546 685 HD23 LEU 88 3HD2 LEU 88 -0.023 21.928 -1.077 686 H ALA 89 H ALA 89 -0.802 19.782 -3.915 687 HA ALA 89 HA ALA 89 -0.330 19.035 -5.945 688 HB1 ALA 89 1HB ALA 89 2.279 17.876 -5.534 689 HB2 ALA 89 2HB ALA 89 1.852 19.428 -6.294 690 HB3 ALA 89 3HB ALA 89 2.128 19.343 -4.538 691 H ASP 90 H ASP 90 1.165 16.804 -6.909 692 HA ASP 90 HA ASP 90 -0.576 14.708 -5.921 693 HB2 ASP 90 1HB ASP 90 0.917 15.224 -8.500 694 HB3 ASP 90 2HB ASP 90 0.506 13.570 -8.091 695 H THR 91 H THR 91 1.558 15.332 -4.196 696 HA THR 91 HA THR 91 3.671 13.398 -4.825 697 HB THR 91 HB THR 91 3.663 15.340 -2.491 698 HG1 THR 91 1HG THR 91 4.194 15.764 -5.348 699 HG21 THR 91 1HG2 THR 91 6.093 15.570 -3.469 700 HG22 THR 91 2HG2 THR 91 5.694 14.081 -2.578 701 HG23 THR 91 3HG2 THR 91 5.711 14.076 -4.358 702 H LEU 92 H LEU 92 4.572 12.323 -2.680 703 HA LEU 92 HA LEU 92 2.414 11.566 -0.910 704 HB2 LEU 92 1HB LEU 92 3.674 9.681 -2.885 705 HB3 LEU 92 2HB LEU 92 3.021 9.105 -1.364 706 HG LEU 92 HG LEU 92 1.423 10.656 -3.418 707 HD11 LEU 92 1HD1 LEU 92 2.191 7.841 -3.323 708 HD12 LEU 92 2HD1 LEU 92 0.427 8.077 -3.365 709 HD13 LEU 92 3HD1 LEU 92 1.450 8.789 -4.635 710 HD21 LEU 92 1HD2 LEU 92 0.896 10.259 -0.735 711 HD22 LEU 92 2HD2 LEU 92 -0.296 10.654 -1.997 712 HD23 LEU 92 3HD2 LEU 92 -0.022 8.958 -1.529 713 H ASN 93 H ASN 93 3.180 11.266 1.136 714 HA ASN 93 HA ASN 93 6.084 11.139 1.339 715 HB2 ASN 93 1HB ASN 93 4.338 11.959 3.669 716 HB3 ASN 93 2HB ASN 93 5.963 12.486 3.276 717 HD21 ASN 93 1HD2 ASN 93 5.522 13.036 0.522 718 HD22 ASN 93 2HD2 ASN 93 4.556 14.467 0.385 719 HA PRO 94 HA PRO 94 5.449 7.354 3.466 720 HB2 PRO 94 1HB PRO 94 7.782 7.125 4.871 721 HB3 PRO 94 2HB PRO 94 7.643 6.722 3.171 722 HG2 PRO 94 1HG PRO 94 8.890 9.095 4.417 723 HG3 PRO 94 2HG PRO 94 9.106 8.465 2.796 724 HD2 PRO 94 1HD PRO 94 7.533 10.740 3.558 725 HD3 PRO 94 2HD PRO 94 7.657 10.040 1.956 726 H PHE 95 H PHE 95 4.010 6.874 4.988 727 HA PHE 95 HA PHE 95 3.223 8.558 6.908 728 HB2 PHE 95 1HB PHE 95 3.300 5.616 6.416 729 HB3 PHE 95 2HB PHE 95 3.139 5.996 8.119 730 HD1 PHE 95 1HD PHE 95 1.187 7.363 8.891 731 HD2 PHE 95 2HD PHE 95 1.474 5.889 4.922 732 HE1 PHE 95 1HE PHE 95 -1.276 7.729 8.577 733 HE2 PHE 95 2HE PHE 95 -0.989 6.255 4.608 734 HZ PHE 95 HZ PHE 95 -2.334 7.171 6.439 735 H ALA 96 H ALA 96 3.493 8.555 9.319 736 HA ALA 96 HA ALA 96 6.236 8.835 9.964 737 HB1 ALA 96 1HB ALA 96 3.756 8.809 11.731 738 HB2 ALA 96 2HB ALA 96 5.360 9.435 12.182 739 HB3 ALA 96 3HB ALA 96 4.420 10.236 10.901 740 H GLU 97 H GLU 97 3.788 6.856 11.759 741 HA GLU 97 HA GLU 97 5.243 4.481 11.373 742 HB2 GLU 97 1HB GLU 97 6.402 6.079 13.295 743 HB3 GLU 97 2HB GLU 97 5.302 5.133 14.277 744 HG2 GLU 97 1HG GLU 97 6.484 3.270 12.482 745 HG3 GLU 97 2HG GLU 97 7.798 4.309 12.996 746 H ASN 98 H ASN 98 4.012 2.654 12.031 747 HA ASN 98 HA ASN 98 2.054 2.666 13.917 748 HB2 ASN 98 1HB ASN 98 1.190 4.191 11.696 749 HB3 ASN 98 2HB ASN 98 0.438 2.628 11.441 750 HD21 ASN 98 1HD2 ASN 98 -1.523 3.881 11.772 751 HD22 ASN 98 2HD2 ASN 98 -2.131 4.128 13.375 752 H SER 99 H SER 99 2.904 0.507 14.137 753 HA SER 99 HA SER 99 2.977 -1.186 11.849 754 HB2 SER 99 1HB SER 99 3.739 -1.393 14.747 755 HB3 SER 99 2HB SER 99 3.435 -2.895 13.896 756 HG SER 99 HG SER 99 5.341 -0.839 13.167 757 H GLY 100 H GLY 100 1.240 -1.241 15.053 758 HA2 GLY 100 1HA GLY 100 -0.885 -1.856 15.535 759 HA3 GLY 100 2HA GLY 100 -1.220 -2.045 13.825 760 HA PRO 101 HA PRO 101 -0.919 -6.211 15.670 761 HB2 PRO 101 1HB PRO 101 -3.463 -7.067 15.158 762 HB3 PRO 101 2HB PRO 101 -2.974 -6.380 16.694 763 HG2 PRO 101 1HG PRO 101 -4.573 -5.144 14.536 764 HG3 PRO 101 2HG PRO 101 -4.433 -4.659 16.214 765 HD2 PRO 101 1HD PRO 101 -3.171 -3.417 13.958 766 HD3 PRO 101 2HD PRO 101 -2.941 -3.005 15.646 767 H SER 102 H SER 102 -0.943 -8.365 14.678 768 HA SER 102 HA SER 102 -1.540 -8.382 11.907 769 HB2 SER 102 1HB SER 102 0.649 -8.647 11.003 770 HB3 SER 102 2HB SER 102 0.759 -7.254 12.060 771 HG SER 102 HG SER 102 1.999 -9.757 12.262 772 H SER 103 H SER 103 -1.441 -10.592 11.028 773 HA SER 103 HA SER 103 -1.322 -12.536 13.191 774 HB2 SER 103 1HB SER 103 -3.371 -12.019 11.419 775 HB3 SER 103 2HB SER 103 -2.548 -13.329 10.596 776 HG SER 103 HG SER 103 -2.840 -14.682 12.404 777 H GLY 104 H GLY 104 -0.754 -12.290 9.597 778 HA2 GLY 104 1HA GLY 104 1.550 -12.713 8.867 779 HA3 GLY 104 2HA GLY 104 1.575 -14.081 9.962 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -16.097 -19.119 -15.075 2 HA2 GLY 1 1HA GLY 1 -13.971 -17.652 -15.580 3 HA3 GLY 1 2HA GLY 1 -13.940 -17.589 -13.829 4 H SER 2 H SER 2 -11.866 -18.796 -15.393 5 HA SER 2 HA SER 2 -12.310 -21.588 -15.475 6 HB2 SER 2 1HB SER 2 -9.932 -21.717 -16.100 7 HB3 SER 2 2HB SER 2 -10.734 -20.453 -17.011 8 HG SER 2 HG SER 2 -9.466 -19.761 -14.540 9 H SER 3 H SER 3 -11.025 -23.195 -14.180 10 HA SER 3 HA SER 3 -10.389 -22.098 -11.553 11 HB2 SER 3 1HB SER 3 -12.122 -24.396 -12.352 12 HB3 SER 3 2HB SER 3 -11.064 -24.694 -10.987 13 HG SER 3 HG SER 3 -13.340 -23.089 -11.160 14 H GLY 4 H GLY 4 -8.191 -22.232 -11.280 15 HA2 GLY 4 1HA GLY 4 -6.860 -24.757 -11.572 16 HA3 GLY 4 2HA GLY 4 -6.404 -23.611 -12.817 17 H SER 5 H SER 5 -6.777 -23.923 -9.225 18 HA SER 5 HA SER 5 -4.230 -23.042 -8.709 19 HB2 SER 5 1HB SER 5 -4.677 -20.771 -7.755 20 HB3 SER 5 2HB SER 5 -4.892 -20.832 -9.493 21 HG SER 5 HG SER 5 -6.774 -19.898 -8.991 22 H SER 6 H SER 6 -3.768 -23.221 -6.433 23 HA SER 6 HA SER 6 -5.700 -24.717 -5.038 24 HB2 SER 6 1HB SER 6 -3.059 -24.755 -4.942 25 HB3 SER 6 2HB SER 6 -3.253 -23.498 -3.737 26 HG SER 6 HG SER 6 -3.537 -25.120 -2.368 27 H GLY 7 H GLY 7 -7.508 -23.141 -4.993 28 HA2 GLY 7 1HA GLY 7 -8.821 -21.766 -3.775 29 HA3 GLY 7 2HA GLY 7 -7.563 -21.654 -2.560 30 H GLU 8 H GLU 8 -9.346 -19.844 -4.705 31 HA GLU 8 HA GLU 8 -7.233 -18.157 -5.620 32 HB2 GLU 8 1HB GLU 8 -10.268 -17.919 -5.783 33 HB3 GLU 8 2HB GLU 8 -9.165 -16.769 -6.512 34 HG2 GLU 8 1HG GLU 8 -8.704 -18.157 -8.262 35 HG3 GLU 8 2HG GLU 8 -8.445 -19.535 -7.210 36 H GLU 9 H GLU 9 -6.758 -18.157 -3.012 37 HA GLU 9 HA GLU 9 -8.278 -16.022 -1.800 38 HB2 GLU 9 1HB GLU 9 -6.263 -18.044 -0.784 39 HB3 GLU 9 2HB GLU 9 -6.647 -16.630 0.177 40 HG2 GLU 9 1HG GLU 9 -8.760 -17.380 0.693 41 HG3 GLU 9 2HG GLU 9 -9.033 -18.037 -0.909 42 H ILE 10 H ILE 10 -4.742 -16.764 -1.560 43 HA ILE 10 HA ILE 10 -2.965 -15.457 -1.673 44 HB ILE 10 HB ILE 10 -4.216 -15.339 -4.099 45 HG12 ILE 10 1HG1 ILE 10 -1.741 -13.856 -4.194 46 HG13 ILE 10 2HG1 ILE 10 -1.601 -15.163 -3.035 47 HG21 ILE 10 1HG2 ILE 10 -4.449 -13.203 -4.907 48 HG22 ILE 10 2HG2 ILE 10 -5.003 -12.987 -3.229 49 HG23 ILE 10 3HG2 ILE 10 -3.355 -12.500 -3.692 50 HD11 ILE 10 1HD1 ILE 10 -2.977 -15.903 -5.572 51 HD12 ILE 10 2HD1 ILE 10 -1.258 -15.470 -5.738 52 HD13 ILE 10 3HD1 ILE 10 -1.742 -16.790 -4.646 53 H PHE 11 H PHE 11 -2.088 -13.170 -1.348 54 HA PHE 11 HA PHE 11 -4.095 -11.473 -0.066 55 HB2 PHE 11 1HB PHE 11 -1.578 -12.789 0.998 56 HB3 PHE 11 2HB PHE 11 -1.891 -11.153 1.542 57 HD1 PHE 11 1HD PHE 11 -3.033 -14.624 1.664 58 HD2 PHE 11 2HD PHE 11 -3.779 -10.664 2.993 59 HE1 PHE 11 1HE PHE 11 -4.597 -15.507 3.417 60 HE2 PHE 11 2HE PHE 11 -5.344 -11.547 4.746 61 HZ PHE 11 HZ PHE 11 -5.734 -13.958 4.937 62 H CYS 12 H CYS 12 -3.416 -9.199 0.153 63 HA CYS 12 HA CYS 12 -1.375 -8.552 -1.846 64 HB2 CYS 12 1HB CYS 12 -3.556 -7.811 -2.579 65 HB3 CYS 12 2HB CYS 12 -3.872 -7.029 -1.043 66 HG CYS 12 HG CYS 12 -2.852 -4.941 -1.496 67 H HIS 13 H HIS 13 0.493 -8.257 -0.620 68 HA HIS 13 HA HIS 13 0.381 -7.214 2.006 69 HB2 HIS 13 1HB HIS 13 2.642 -7.790 0.083 70 HB3 HIS 13 2HB HIS 13 2.914 -7.127 1.682 71 HD1 HIS 13 1HD HIS 13 2.780 -10.276 -0.027 72 HD2 HIS 13 2HD HIS 13 1.611 -8.936 3.772 73 HE1 HIS 13 1HE HIS 13 2.573 -12.359 1.433 74 H VAL 14 H VAL 14 -0.168 -5.136 2.439 75 HA VAL 14 HA VAL 14 0.738 -3.103 0.527 76 HB VAL 14 HB VAL 14 -1.658 -3.465 2.243 77 HG11 VAL 14 1HG1 VAL 14 -1.129 -1.492 3.309 78 HG12 VAL 14 2HG1 VAL 14 -0.215 -0.855 1.920 79 HG13 VAL 14 3HG1 VAL 14 -1.995 -0.868 1.884 80 HG21 VAL 14 1HG2 VAL 14 -1.105 -2.277 -0.492 81 HG22 VAL 14 2HG2 VAL 14 -1.906 -3.821 -0.112 82 HG23 VAL 14 3HG2 VAL 14 -2.709 -2.281 0.281 83 H TYR 15 H TYR 15 2.703 -2.331 1.150 84 HA TYR 15 HA TYR 15 3.347 -2.207 3.964 85 HB2 TYR 15 1HB TYR 15 4.636 -1.684 1.240 86 HB3 TYR 15 2HB TYR 15 5.443 -1.083 2.674 87 HD1 TYR 15 1HD TYR 15 3.620 -4.306 2.062 88 HD2 TYR 15 2HD TYR 15 7.332 -2.401 3.011 89 HE1 TYR 15 1HE TYR 15 4.706 -6.579 2.410 90 HE2 TYR 15 2HE TYR 15 8.405 -4.680 3.355 91 HH TYR 15 HH TYR 15 7.485 -7.296 2.204 92 H ILE 16 H ILE 16 2.813 -0.500 5.224 93 HA ILE 16 HA ILE 16 1.892 1.919 4.035 94 HB ILE 16 HB ILE 16 2.488 1.283 6.926 95 HG12 ILE 16 1HG1 ILE 16 -0.251 1.122 5.707 96 HG13 ILE 16 2HG1 ILE 16 0.844 -0.235 5.535 97 HG21 ILE 16 1HG2 ILE 16 2.255 3.604 6.784 98 HG22 ILE 16 2HG2 ILE 16 0.979 3.498 5.547 99 HG23 ILE 16 3HG2 ILE 16 0.629 3.031 7.229 100 HD11 ILE 16 1HD1 ILE 16 0.945 0.712 8.277 101 HD12 ILE 16 2HD1 ILE 16 -0.748 0.431 7.802 102 HD13 ILE 16 3HD1 ILE 16 0.445 -0.884 7.666 103 H THR 17 H THR 17 4.674 1.144 6.249 104 HA THR 17 HA THR 17 6.050 3.461 5.056 105 HB THR 17 HB THR 17 7.155 3.678 7.257 106 HG1 THR 17 1HG THR 17 6.753 2.014 8.796 107 HG21 THR 17 1HG2 THR 17 5.153 3.948 8.783 108 HG22 THR 17 2HG2 THR 17 4.929 4.753 7.211 109 HG23 THR 17 3HG2 THR 17 4.143 3.188 7.529 110 H GLU 18 H GLU 18 8.385 2.201 6.814 111 HA GLU 18 HA GLU 18 9.335 0.663 4.555 112 HB2 GLU 18 1HB GLU 18 11.575 0.944 5.612 113 HB3 GLU 18 2HB GLU 18 10.784 2.480 5.319 114 HG2 GLU 18 1HG GLU 18 10.124 2.679 7.659 115 HG3 GLU 18 2HG GLU 18 10.626 1.036 8.001 116 H HIS 19 H HIS 19 8.511 0.411 8.017 117 HA HIS 19 HA HIS 19 8.990 -2.469 7.788 118 HB2 HIS 19 1HB HIS 19 9.435 -0.774 10.261 119 HB3 HIS 19 2HB HIS 19 9.649 -2.509 10.144 120 HD1 HIS 19 1HD HIS 19 11.538 -3.230 8.189 121 HD2 HIS 19 2HD HIS 19 11.740 0.625 9.831 122 HE1 HIS 19 1HE HIS 19 13.896 -2.375 7.718 123 H SER 20 H SER 20 6.575 -1.000 7.115 124 HA SER 20 HA SER 20 4.870 -2.216 9.117 125 HB2 SER 20 1HB SER 20 4.152 0.499 7.974 126 HB3 SER 20 2HB SER 20 3.479 -0.301 9.380 127 HG SER 20 HG SER 20 5.138 0.358 10.621 128 H TYR 21 H TYR 21 2.937 -3.109 8.237 129 HA TYR 21 HA TYR 21 2.176 -2.480 5.542 130 HB2 TYR 21 1HB TYR 21 2.865 -4.570 4.594 131 HB3 TYR 21 2HB TYR 21 4.203 -4.231 5.674 132 HD1 TYR 21 2HD TYR 21 3.959 -5.209 8.125 133 HD2 TYR 21 1HD TYR 21 1.803 -6.642 4.719 134 HE1 TYR 21 2HE TYR 21 3.565 -7.429 9.299 135 HE2 TYR 21 1HE TYR 21 1.416 -8.857 5.905 136 HH TYR 21 HH TYR 21 1.928 -9.248 9.202 137 H VAL 22 H VAL 22 0.444 -4.387 4.883 138 HA VAL 22 HA VAL 22 -0.999 -5.319 7.194 139 HB VAL 22 HB VAL 22 -1.859 -3.131 7.212 140 HG11 VAL 22 1HG1 VAL 22 -2.064 -3.368 4.197 141 HG12 VAL 22 2HG1 VAL 22 -2.842 -2.072 5.137 142 HG13 VAL 22 3HG1 VAL 22 -1.070 -2.235 5.143 143 HG21 VAL 22 1HG2 VAL 22 -4.176 -3.806 5.742 144 HG22 VAL 22 2HG2 VAL 22 -3.517 -5.337 6.368 145 HG23 VAL 22 3HG2 VAL 22 -3.892 -4.005 7.488 146 H SER 23 H SER 23 -2.204 -7.143 6.696 147 HA SER 23 HA SER 23 -1.823 -8.089 4.011 148 HB2 SER 23 1HB SER 23 -2.198 -10.235 4.865 149 HB3 SER 23 2HB SER 23 -1.491 -9.421 6.246 150 HG SER 23 HG SER 23 -3.568 -9.150 7.167 151 H VAL 24 H VAL 24 -3.449 -8.272 2.467 152 HA VAL 24 HA VAL 24 -6.187 -7.772 3.397 153 HB VAL 24 HB VAL 24 -4.719 -6.525 1.072 154 HG11 VAL 24 1HG1 VAL 24 -6.910 -5.433 0.530 155 HG12 VAL 24 2HG1 VAL 24 -6.874 -7.187 0.225 156 HG13 VAL 24 3HG1 VAL 24 -7.694 -6.551 1.671 157 HG21 VAL 24 1HG2 VAL 24 -4.392 -4.866 2.531 158 HG22 VAL 24 2HG2 VAL 24 -6.152 -4.600 2.530 159 HG23 VAL 24 3HG2 VAL 24 -5.414 -5.661 3.754 160 H LYS 25 H LYS 25 -7.405 -9.533 2.975 161 HA LYS 25 HA LYS 25 -6.459 -11.442 1.038 162 HB2 LYS 25 1HB LYS 25 -7.352 -12.108 3.260 163 HB3 LYS 25 2HB LYS 25 -8.924 -11.482 2.805 164 HG2 LYS 25 1HG LYS 25 -9.415 -13.359 1.626 165 HG3 LYS 25 2HG LYS 25 -7.932 -13.236 0.700 166 HD2 LYS 25 1HD LYS 25 -7.970 -15.358 1.956 167 HD3 LYS 25 2HD LYS 25 -6.667 -14.340 2.536 168 HE2 LYS 25 1HE LYS 25 -7.541 -14.755 4.610 169 HE3 LYS 25 2HE LYS 25 -8.711 -13.520 4.192 170 HZ1 LYS 25 1HZ LYS 25 -9.953 -15.353 4.801 171 HZ2 LYS 25 2HZ LYS 25 -10.004 -15.412 3.170 172 HZ3 LYS 25 3HZ LYS 25 -9.018 -16.420 3.993 173 H ALA 26 H ALA 26 -6.676 -10.709 -1.050 174 HA ALA 26 HA ALA 26 -9.385 -9.842 -1.800 175 HB1 ALA 26 1HB ALA 26 -8.486 -8.191 -3.096 176 HB2 ALA 26 2HB ALA 26 -7.120 -8.347 -1.966 177 HB3 ALA 26 3HB ALA 26 -7.068 -9.169 -3.544 178 H LYS 27 H LYS 27 -9.492 -10.181 -4.433 179 HA LYS 27 HA LYS 27 -9.484 -13.005 -4.708 180 HB2 LYS 27 1HB LYS 27 -9.968 -10.915 -6.846 181 HB3 LYS 27 2HB LYS 27 -10.488 -12.588 -6.857 182 HG2 LYS 27 1HG LYS 27 -11.329 -10.865 -4.527 183 HG3 LYS 27 2HG LYS 27 -12.125 -10.605 -6.066 184 HD2 LYS 27 1HD LYS 27 -11.875 -13.472 -5.339 185 HD3 LYS 27 2HD LYS 27 -12.829 -12.546 -4.197 186 HE2 LYS 27 1HE LYS 27 -13.811 -11.594 -6.606 187 HE3 LYS 27 2HE LYS 27 -13.426 -13.250 -7.030 188 HZ1 LYS 27 1HZ LYS 27 -15.127 -12.390 -4.795 189 HZ2 LYS 27 2HZ LYS 27 -15.617 -13.136 -6.162 190 HZ3 LYS 27 3HZ LYS 27 -14.700 -13.941 -5.077 191 H VAL 28 H VAL 28 -8.580 -13.855 -7.010 192 HA VAL 28 HA VAL 28 -5.740 -13.532 -6.757 193 HB VAL 28 HB VAL 28 -6.945 -15.696 -7.114 194 HG11 VAL 28 1HG1 VAL 28 -8.100 -14.292 -9.287 195 HG12 VAL 28 2HG1 VAL 28 -7.085 -15.576 -9.988 196 HG13 VAL 28 3HG1 VAL 28 -8.358 -15.989 -8.813 197 HG21 VAL 28 1HG2 VAL 28 -4.514 -15.386 -7.546 198 HG22 VAL 28 2HG2 VAL 28 -5.255 -16.632 -8.578 199 HG23 VAL 28 3HG2 VAL 28 -4.892 -15.023 -9.247 200 H SER 29 H SER 29 -8.166 -11.742 -8.234 201 HA SER 29 HA SER 29 -6.200 -10.598 -10.011 202 HB2 SER 29 1HB SER 29 -8.937 -11.599 -10.893 203 HB3 SER 29 2HB SER 29 -8.027 -10.420 -11.817 204 HG SER 29 HG SER 29 -6.443 -12.591 -11.131 205 H SER 30 H SER 30 -7.273 -9.782 -7.430 206 HA SER 30 HA SER 30 -9.347 -7.914 -7.910 207 HB2 SER 30 1HB SER 30 -8.037 -9.089 -5.644 208 HB3 SER 30 2HB SER 30 -7.889 -7.351 -5.475 209 HG SER 30 HG SER 30 -9.855 -7.949 -4.525 210 H ILE 31 H ILE 31 -9.098 -5.519 -7.518 211 HA ILE 31 HA ILE 31 -6.580 -4.625 -8.691 212 HB ILE 31 HB ILE 31 -7.896 -2.481 -8.977 213 HG12 ILE 31 1HG1 ILE 31 -10.322 -4.212 -8.486 214 HG13 ILE 31 2HG1 ILE 31 -9.630 -3.213 -7.224 215 HG21 ILE 31 1HG2 ILE 31 -8.639 -3.150 -11.050 216 HG22 ILE 31 2HG2 ILE 31 -7.485 -4.447 -10.656 217 HG23 ILE 31 3HG2 ILE 31 -9.232 -4.720 -10.456 218 HD11 ILE 31 1HD1 ILE 31 -9.729 -1.351 -9.190 219 HD12 ILE 31 2HD1 ILE 31 -11.065 -2.397 -9.726 220 HD13 ILE 31 3HD1 ILE 31 -11.103 -1.666 -8.103 221 H ALA 32 H ALA 32 -5.672 -2.510 -7.829 222 HA ALA 32 HA ALA 32 -5.047 -2.817 -5.139 223 HB1 ALA 32 1HB ALA 32 -3.646 -1.022 -5.503 224 HB2 ALA 32 2HB ALA 32 -3.973 -1.475 -7.193 225 HB3 ALA 32 3HB ALA 32 -4.861 -0.125 -6.445 226 H GLN 33 H GLN 33 -7.429 -0.679 -6.820 227 HA GLN 33 HA GLN 33 -8.192 0.882 -4.783 228 HB2 GLN 33 1HB GLN 33 -9.153 1.203 -6.955 229 HB3 GLN 33 2HB GLN 33 -9.822 -0.416 -6.993 230 HG2 GLN 33 1HG GLN 33 -11.721 0.835 -6.437 231 HG3 GLN 33 2HG GLN 33 -11.163 0.354 -4.847 232 HE21 GLN 33 1HE2 GLN 33 -9.618 1.844 -3.763 233 HE22 GLN 33 2HE2 GLN 33 -9.883 3.550 -3.899 234 H GLU 34 H GLU 34 -9.365 -2.477 -5.472 235 HA GLU 34 HA GLU 34 -11.207 -2.584 -3.437 236 HB2 GLU 34 1HB GLU 34 -9.575 -4.685 -4.888 237 HB3 GLU 34 2HB GLU 34 -10.655 -5.152 -3.589 238 HG2 GLU 34 1HG GLU 34 -12.548 -3.986 -4.775 239 HG3 GLU 34 2HG GLU 34 -11.459 -3.590 -6.090 240 H ILE 35 H ILE 35 -7.674 -2.826 -3.399 241 HA ILE 35 HA ILE 35 -7.631 -3.924 -0.733 242 HB ILE 35 HB ILE 35 -5.330 -2.830 -2.342 243 HG12 ILE 35 1HG1 ILE 35 -6.385 -4.376 -3.813 244 HG13 ILE 35 2HG1 ILE 35 -4.997 -5.187 -3.114 245 HG21 ILE 35 1HG2 ILE 35 -5.507 -3.829 0.268 246 HG22 ILE 35 2HG2 ILE 35 -4.811 -5.153 -0.697 247 HG23 ILE 35 3HG2 ILE 35 -4.033 -3.551 -0.691 248 HD11 ILE 35 1HD1 ILE 35 -7.114 -6.588 -3.175 249 HD12 ILE 35 2HD1 ILE 35 -6.393 -6.424 -1.555 250 HD13 ILE 35 3HD1 ILE 35 -7.822 -5.458 -1.995 251 H LEU 36 H LEU 36 -7.154 -0.775 -2.401 252 HA LEU 36 HA LEU 36 -6.186 0.645 -0.230 253 HB2 LEU 36 1HB LEU 36 -6.348 1.278 -2.694 254 HB3 LEU 36 2HB LEU 36 -8.003 1.749 -2.364 255 HG LEU 36 HG LEU 36 -7.183 3.369 -0.665 256 HD11 LEU 36 1HD1 LEU 36 -5.118 3.281 0.133 257 HD12 LEU 36 2HD1 LEU 36 -4.751 1.927 -0.962 258 HD13 LEU 36 3HD1 LEU 36 -4.459 3.602 -1.489 259 HD21 LEU 36 1HD2 LEU 36 -6.370 3.559 -3.550 260 HD22 LEU 36 2HD2 LEU 36 -7.677 4.394 -2.676 261 HD23 LEU 36 3HD2 LEU 36 -5.983 4.877 -2.418 262 H LYS 37 H LYS 37 -9.601 0.142 -1.345 263 HA LYS 37 HA LYS 37 -10.802 1.632 0.648 264 HB2 LYS 37 1HB LYS 37 -12.824 0.367 0.097 265 HB3 LYS 37 2HB LYS 37 -11.969 0.874 -1.345 266 HG2 LYS 37 1HG LYS 37 -11.625 -1.274 -2.015 267 HG3 LYS 37 2HG LYS 37 -11.007 -1.744 -0.444 268 HD2 LYS 37 1HD LYS 37 -13.512 -1.696 0.331 269 HD3 LYS 37 2HD LYS 37 -13.900 -1.686 -1.378 270 HE2 LYS 37 1HE LYS 37 -12.145 -3.737 -1.418 271 HE3 LYS 37 2HE LYS 37 -12.614 -3.862 0.266 272 HZ1 LYS 37 1HZ LYS 37 -14.128 -4.455 -2.065 273 HZ2 LYS 37 2HZ LYS 37 -14.333 -4.979 -0.532 274 HZ3 LYS 37 3HZ LYS 37 -14.960 -3.544 -0.996 275 H VAL 38 H VAL 38 -9.361 -1.614 0.697 276 HA VAL 38 HA VAL 38 -10.545 -2.269 3.229 277 HB VAL 38 HB VAL 38 -8.293 -3.578 1.692 278 HG11 VAL 38 1HG1 VAL 38 -9.106 -5.618 2.986 279 HG12 VAL 38 2HG1 VAL 38 -8.232 -4.382 3.922 280 HG13 VAL 38 3HG1 VAL 38 -10.007 -4.482 4.019 281 HG21 VAL 38 1HG2 VAL 38 -9.791 -4.725 0.415 282 HG22 VAL 38 2HG2 VAL 38 -11.047 -4.716 1.677 283 HG23 VAL 38 3HG2 VAL 38 -10.767 -3.262 0.690 284 H VAL 39 H VAL 39 -7.102 -1.846 2.125 285 HA VAL 39 HA VAL 39 -5.932 -1.727 4.564 286 HB VAL 39 HB VAL 39 -5.301 -0.138 2.071 287 HG11 VAL 39 1HG1 VAL 39 -3.582 0.797 3.137 288 HG12 VAL 39 2HG1 VAL 39 -4.133 0.051 4.657 289 HG13 VAL 39 3HG1 VAL 39 -2.974 -0.807 3.612 290 HG21 VAL 39 1HG2 VAL 39 -4.874 -2.161 1.212 291 HG22 VAL 39 2HG2 VAL 39 -3.482 -2.227 2.320 292 HG23 VAL 39 3HG2 VAL 39 -5.035 -2.956 2.796 293 H ALA 40 H ALA 40 -7.301 1.080 2.708 294 HA ALA 40 HA ALA 40 -6.771 3.129 4.320 295 HB1 ALA 40 1HB ALA 40 -9.252 3.829 3.735 296 HB2 ALA 40 2HB ALA 40 -8.044 3.639 2.441 297 HB3 ALA 40 3HB ALA 40 -9.222 2.342 2.757 298 H GLU 41 H GLU 41 -9.290 0.609 4.911 299 HA GLU 41 HA GLU 41 -10.153 1.848 7.292 300 HB2 GLU 41 1HB GLU 41 -10.551 -1.074 6.552 301 HB3 GLU 41 2HB GLU 41 -11.584 -0.069 7.549 302 HG2 GLU 41 1HG GLU 41 -11.257 1.208 4.963 303 HG3 GLU 41 2HG GLU 41 -11.718 -0.463 4.710 304 H LYS 42 H LYS 42 -7.949 -0.894 6.474 305 HA LYS 42 HA LYS 42 -7.478 -1.779 9.049 306 HB2 LYS 42 1HB LYS 42 -6.343 -2.130 6.399 307 HB3 LYS 42 2HB LYS 42 -5.083 -2.104 7.615 308 HG2 LYS 42 1HG LYS 42 -5.972 -4.405 7.263 309 HG3 LYS 42 2HG LYS 42 -6.220 -3.863 8.911 310 HD2 LYS 42 1HD LYS 42 -8.292 -4.879 8.198 311 HD3 LYS 42 2HD LYS 42 -8.574 -3.150 8.253 312 HE2 LYS 42 1HE LYS 42 -7.802 -3.269 5.687 313 HE3 LYS 42 2HE LYS 42 -8.280 -4.948 5.842 314 HZ1 LYS 42 1HZ LYS 42 -9.945 -2.914 5.351 315 HZ2 LYS 42 2HZ LYS 42 -10.405 -4.374 5.918 316 HZ3 LYS 42 3HZ LYS 42 -10.172 -3.133 6.954 317 H ILE 43 H ILE 43 -6.579 1.203 7.474 318 HA ILE 43 HA ILE 43 -4.703 1.745 9.668 319 HB ILE 43 HB ILE 43 -3.444 3.066 8.285 320 HG12 ILE 43 1HG1 ILE 43 -5.770 3.264 6.347 321 HG13 ILE 43 2HG1 ILE 43 -5.291 4.496 7.498 322 HG21 ILE 43 1HG2 ILE 43 -3.199 1.819 6.086 323 HG22 ILE 43 2HG2 ILE 43 -3.057 0.850 7.572 324 HG23 ILE 43 3HG2 ILE 43 -4.560 0.804 6.621 325 HD11 ILE 43 1HD1 ILE 43 -3.994 3.686 4.933 326 HD12 ILE 43 2HD1 ILE 43 -4.080 5.285 5.709 327 HD13 ILE 43 3HD1 ILE 43 -2.889 4.086 6.270 328 H GLN 44 H GLN 44 -7.810 2.379 8.310 329 HA GLN 44 HA GLN 44 -9.442 3.640 9.016 330 HB2 GLN 44 1HB GLN 44 -7.607 4.865 11.117 331 HB3 GLN 44 2HB GLN 44 -9.360 4.845 11.129 332 HG2 GLN 44 1HG GLN 44 -9.169 2.251 11.097 333 HG3 GLN 44 2HG GLN 44 -7.472 2.479 11.468 334 HE21 GLN 44 1HE2 GLN 44 -6.906 3.739 13.362 335 HE22 GLN 44 2HE2 GLN 44 -7.922 3.701 14.765 336 H TYR 45 H TYR 45 -8.475 4.477 6.753 337 HA TYR 45 HA TYR 45 -8.292 7.382 7.060 338 HB2 TYR 45 1HB TYR 45 -6.285 5.436 6.144 339 HB3 TYR 45 2HB TYR 45 -6.746 6.449 4.790 340 HD1 TYR 45 1HD TYR 45 -5.168 6.404 8.120 341 HD2 TYR 45 2HD TYR 45 -6.176 8.814 4.731 342 HE1 TYR 45 1HE TYR 45 -3.606 8.232 8.946 343 HE2 TYR 45 2HE TYR 45 -4.610 10.633 5.569 344 HH TYR 45 HH TYR 45 -3.341 11.305 7.191 345 H ALA 46 H ALA 46 -7.977 7.918 4.267 346 HA ALA 46 HA ALA 46 -10.535 6.858 3.275 347 HB1 ALA 46 1HB ALA 46 -9.815 9.488 3.832 348 HB2 ALA 46 2HB ALA 46 -9.564 9.356 2.074 349 HB3 ALA 46 3HB ALA 46 -11.153 8.972 2.778 350 H GLU 47 H GLU 47 -10.100 5.258 1.827 351 HA GLU 47 HA GLU 47 -7.762 4.769 0.616 352 HB2 GLU 47 1HB GLU 47 -9.166 3.597 -1.175 353 HB3 GLU 47 2HB GLU 47 -9.502 3.139 0.482 354 HG2 GLU 47 1HG GLU 47 -11.444 4.693 0.543 355 HG3 GLU 47 2HG GLU 47 -11.090 5.225 -1.089 356 H GLU 48 H GLU 48 -10.400 6.939 -0.555 357 HA GLU 48 HA GLU 48 -9.287 7.471 -3.022 358 HB2 GLU 48 1HB GLU 48 -10.800 9.390 -3.084 359 HB3 GLU 48 2HB GLU 48 -11.621 8.030 -2.343 360 HG2 GLU 48 1HG GLU 48 -10.714 9.060 -0.072 361 HG3 GLU 48 2HG GLU 48 -10.523 10.524 -1.016 362 H ASP 49 H ASP 49 -8.421 8.554 0.210 363 HA ASP 49 HA ASP 49 -6.928 10.781 -0.816 364 HB2 ASP 49 1HB ASP 49 -7.235 9.594 1.980 365 HB3 ASP 49 2HB ASP 49 -6.252 11.004 1.640 366 H LEU 50 H LEU 50 -6.561 7.422 -0.547 367 HA LEU 50 HA LEU 50 -3.673 7.623 -0.072 368 HB2 LEU 50 1HB LEU 50 -5.513 5.236 0.134 369 HB3 LEU 50 2HB LEU 50 -3.784 5.221 0.417 370 HG LEU 50 HG LEU 50 -5.897 6.632 2.061 371 HD11 LEU 50 1HD1 LEU 50 -5.897 4.379 2.672 372 HD12 LEU 50 2HD1 LEU 50 -4.131 4.231 2.504 373 HD13 LEU 50 3HD1 LEU 50 -4.823 5.147 3.865 374 HD21 LEU 50 1HD2 LEU 50 -4.120 7.437 3.512 375 HD22 LEU 50 2HD2 LEU 50 -2.891 6.725 2.439 376 HD23 LEU 50 3HD2 LEU 50 -3.909 8.065 1.860 377 H ALA 51 H ALA 51 -2.400 5.883 -1.389 378 HA ALA 51 HA ALA 51 -3.568 5.316 -3.964 379 HB1 ALA 51 1HB ALA 51 -2.621 7.749 -3.928 380 HB2 ALA 51 2HB ALA 51 -1.028 6.955 -3.928 381 HB3 ALA 51 3HB ALA 51 -2.164 6.671 -5.269 382 H LEU 52 H LEU 52 -2.717 3.429 -4.774 383 HA LEU 52 HA LEU 52 -0.741 2.132 -3.120 384 HB2 LEU 52 1HB LEU 52 -2.345 1.202 -5.505 385 HB3 LEU 52 2HB LEU 52 -1.223 0.196 -4.611 386 HG LEU 52 HG LEU 52 -3.100 -0.440 -3.537 387 HD11 LEU 52 1HD1 LEU 52 -1.668 0.872 -1.900 388 HD12 LEU 52 2HD1 LEU 52 -2.871 2.176 -2.046 389 HD13 LEU 52 3HD1 LEU 52 -3.359 0.580 -1.427 390 HD21 LEU 52 1HD2 LEU 52 -4.295 1.495 -5.077 391 HD22 LEU 52 2HD2 LEU 52 -5.131 0.395 -3.954 392 HD23 LEU 52 3HD2 LEU 52 -4.674 2.032 -3.423 393 H VAL 53 H VAL 53 1.403 2.287 -3.464 394 HA VAL 53 HA VAL 53 2.285 2.607 -6.238 395 HB VAL 53 HB VAL 53 3.831 4.308 -5.640 396 HG11 VAL 53 1HG1 VAL 53 2.336 5.991 -5.680 397 HG12 VAL 53 2HG1 VAL 53 1.115 4.696 -5.676 398 HG13 VAL 53 3HG1 VAL 53 1.578 5.487 -4.150 399 HG21 VAL 53 1HG2 VAL 53 4.535 3.585 -3.453 400 HG22 VAL 53 2HG2 VAL 53 3.924 5.252 -3.321 401 HG23 VAL 53 3HG2 VAL 53 2.917 3.889 -2.776 402 H ALA 54 H ALA 54 3.983 1.287 -6.788 403 HA ALA 54 HA ALA 54 4.926 -0.475 -4.665 404 HB1 ALA 54 1HB ALA 54 5.552 -1.956 -6.453 405 HB2 ALA 54 2HB ALA 54 3.930 -1.332 -6.837 406 HB3 ALA 54 3HB ALA 54 5.357 -0.670 -7.668 407 H ILE 55 H ILE 55 7.266 -1.002 -4.550 408 HA ILE 55 HA ILE 55 8.924 1.214 -5.526 409 HB ILE 55 HB ILE 55 9.125 -0.055 -2.795 410 HG12 ILE 55 1HG1 ILE 55 7.693 2.407 -3.748 411 HG13 ILE 55 2HG1 ILE 55 7.159 1.174 -2.623 412 HG21 ILE 55 1HG2 ILE 55 11.251 0.762 -3.755 413 HG22 ILE 55 2HG2 ILE 55 10.522 2.374 -3.947 414 HG23 ILE 55 3HG2 ILE 55 10.738 1.684 -2.321 415 HD11 ILE 55 1HD1 ILE 55 8.790 1.955 -0.935 416 HD12 ILE 55 2HD1 ILE 55 9.410 3.167 -2.083 417 HD13 ILE 55 3HD1 ILE 55 7.747 3.298 -1.460 418 H THR 56 H THR 56 11.236 0.633 -5.766 419 HA THR 56 HA THR 56 11.487 -2.241 -6.362 420 HB THR 56 HB THR 56 11.553 -0.697 -8.332 421 HG1 THR 56 1HG THR 56 14.210 -1.619 -7.508 422 HG21 THR 56 1HG2 THR 56 12.515 1.334 -7.232 423 HG22 THR 56 2HG2 THR 56 14.017 0.436 -6.903 424 HG23 THR 56 3HG2 THR 56 13.544 0.796 -8.581 425 H PHE 57 H PHE 57 13.817 -3.054 -6.251 426 HA PHE 57 HA PHE 57 14.660 -3.022 -3.672 427 HB2 PHE 57 1HB PHE 57 15.419 -4.634 -5.385 428 HB3 PHE 57 2HB PHE 57 16.113 -3.352 -6.357 429 HD1 PHE 57 2HD PHE 57 16.498 -5.188 -3.164 430 HD2 PHE 57 1HD PHE 57 18.341 -2.656 -6.027 431 HE1 PHE 57 2HE PHE 57 18.720 -5.549 -2.053 432 HE2 PHE 57 1HE PHE 57 20.563 -3.017 -4.917 433 HZ PHE 57 HZ PHE 57 20.726 -4.460 -2.943 434 H SER 58 H SER 58 16.104 -1.105 -6.409 435 HA SER 58 HA SER 58 18.062 0.145 -5.133 436 HB2 SER 58 1HB SER 58 16.334 0.737 -7.418 437 HB3 SER 58 2HB SER 58 16.837 2.217 -6.626 438 HG SER 58 HG SER 58 18.951 1.826 -7.096 439 H GLY 59 H GLY 59 14.736 1.613 -5.427 440 HA2 GLY 59 1HA GLY 59 13.843 2.161 -3.092 441 HA3 GLY 59 2HA GLY 59 15.290 3.142 -2.968 442 H GLU 60 H GLU 60 12.418 2.569 -5.107 443 HA GLU 60 HA GLU 60 12.177 5.431 -5.337 444 HB2 GLU 60 1HB GLU 60 12.612 3.564 -7.692 445 HB3 GLU 60 2HB GLU 60 11.753 5.079 -7.891 446 HG2 GLU 60 1HG GLU 60 13.733 6.289 -6.883 447 HG3 GLU 60 2HG GLU 60 14.592 4.763 -6.806 448 H LYS 61 H LYS 61 10.034 6.057 -5.251 449 HA LYS 61 HA LYS 61 8.100 3.954 -4.950 450 HB2 LYS 61 1HB LYS 61 8.273 6.863 -4.381 451 HB3 LYS 61 2HB LYS 61 6.674 6.254 -4.759 452 HG2 LYS 61 1HG LYS 61 6.691 4.710 -2.939 453 HG3 LYS 61 2HG LYS 61 8.434 4.779 -2.772 454 HD2 LYS 61 1HD LYS 61 7.258 7.445 -2.452 455 HD3 LYS 61 2HD LYS 61 6.521 6.308 -1.341 456 HE2 LYS 61 1HE LYS 61 9.530 6.280 -1.623 457 HE3 LYS 61 2HE LYS 61 8.796 7.589 -0.719 458 HZ1 LYS 61 1HZ LYS 61 7.598 5.824 0.538 459 HZ2 LYS 61 2HZ LYS 61 8.560 4.717 -0.181 460 HZ3 LYS 61 3HZ LYS 61 9.212 5.865 0.780 461 H HIS 62 H HIS 62 6.287 3.555 -6.277 462 HA HIS 62 HA HIS 62 6.180 5.056 -8.763 463 HB2 HIS 62 1HB HIS 62 7.398 2.523 -8.588 464 HB3 HIS 62 2HB HIS 62 5.819 2.227 -9.287 465 HD1 HIS 62 1HD HIS 62 8.674 4.740 -9.859 466 HD2 HIS 62 2HD HIS 62 5.840 2.504 -11.995 467 HE1 HIS 62 1HE HIS 62 9.113 5.202 -12.329 468 H GLU 63 H GLU 63 4.138 5.843 -8.798 469 HA GLU 63 HA GLU 63 2.107 4.399 -7.382 470 HB2 GLU 63 1HB GLU 63 2.498 6.994 -7.465 471 HB3 GLU 63 2HB GLU 63 1.662 6.923 -9.003 472 HG2 GLU 63 1HG GLU 63 0.060 5.367 -7.269 473 HG3 GLU 63 2HG GLU 63 0.568 6.724 -6.284 474 H LEU 64 H LEU 64 0.076 3.687 -8.353 475 HA LEU 64 HA LEU 64 0.247 3.363 -11.264 476 HB2 LEU 64 1HB LEU 64 -0.962 1.208 -9.602 477 HB3 LEU 64 2HB LEU 64 -0.218 1.127 -11.187 478 HG LEU 64 HG LEU 64 1.913 1.836 -9.580 479 HD11 LEU 64 1HD1 LEU 64 -0.052 0.964 -7.790 480 HD12 LEU 64 2HD1 LEU 64 1.055 -0.417 -7.977 481 HD13 LEU 64 3HD1 LEU 64 1.688 1.169 -7.474 482 HD21 LEU 64 1HD2 LEU 64 2.444 0.254 -11.114 483 HD22 LEU 64 2HD2 LEU 64 2.260 -0.817 -9.704 484 HD23 LEU 64 3HD2 LEU 64 0.930 -0.653 -10.876 485 H GLN 65 H GLN 65 -2.328 1.858 -11.218 486 HA GLN 65 HA GLN 65 -4.009 4.177 -10.683 487 HB2 GLN 65 1HB GLN 65 -4.027 2.044 -12.804 488 HB3 GLN 65 2HB GLN 65 -5.572 2.710 -12.313 489 HG2 GLN 65 1HG GLN 65 -3.746 4.916 -12.625 490 HG3 GLN 65 2HG GLN 65 -3.571 3.891 -14.036 491 HE21 GLN 65 1HE2 GLN 65 -5.748 5.823 -12.108 492 HE22 GLN 65 2HE2 GLN 65 -7.020 6.002 -13.271 493 HA PRO 66 HA PRO 66 -6.377 1.833 -7.903 494 HB2 PRO 66 1HB PRO 66 -8.935 2.715 -8.290 495 HB3 PRO 66 2HB PRO 66 -7.739 3.613 -7.376 496 HG2 PRO 66 1HG PRO 66 -8.758 4.128 -10.103 497 HG3 PRO 66 2HG PRO 66 -7.908 5.217 -9.024 498 HD2 PRO 66 1HD PRO 66 -6.815 3.854 -11.299 499 HD3 PRO 66 2HD PRO 66 -5.940 4.851 -10.154 500 H ASN 67 H ASN 67 -6.560 1.232 -11.115 501 HA ASN 67 HA ASN 67 -8.379 -0.989 -10.615 502 HB2 ASN 67 1HB ASN 67 -8.197 -0.963 -13.326 503 HB3 ASN 67 2HB ASN 67 -9.365 0.019 -12.464 504 HD21 ASN 67 1HD2 ASN 67 -6.041 0.014 -13.697 505 HD22 ASN 67 2HD2 ASN 67 -5.947 1.695 -14.104 506 H ASP 68 H ASP 68 -5.132 -0.115 -10.825 507 HA ASP 68 HA ASP 68 -4.120 -2.070 -12.534 508 HB2 ASP 68 1HB ASP 68 -2.968 0.039 -11.571 509 HB3 ASP 68 2HB ASP 68 -2.713 -0.884 -10.103 510 H LEU 69 H LEU 69 -3.854 -4.284 -12.150 511 HA LEU 69 HA LEU 69 -4.909 -5.519 -9.927 512 HB2 LEU 69 1HB LEU 69 -3.048 -6.339 -12.119 513 HB3 LEU 69 2HB LEU 69 -3.312 -7.430 -10.773 514 HG LEU 69 HG LEU 69 -5.360 -6.392 -12.741 515 HD11 LEU 69 1HD1 LEU 69 -5.518 -9.170 -12.515 516 HD12 LEU 69 2HD1 LEU 69 -4.794 -8.235 -13.846 517 HD13 LEU 69 3HD1 LEU 69 -3.775 -8.810 -12.504 518 HD21 LEU 69 1HD2 LEU 69 -6.953 -7.908 -11.420 519 HD22 LEU 69 2HD2 LEU 69 -5.776 -7.772 -10.093 520 HD23 LEU 69 3HD2 LEU 69 -6.564 -6.312 -10.736 521 H VAL 70 H VAL 70 -4.070 -6.350 -7.990 522 HA VAL 70 HA VAL 70 -1.456 -5.218 -7.283 523 HB VAL 70 HB VAL 70 -2.764 -5.997 -4.957 524 HG11 VAL 70 1HG1 VAL 70 -1.354 -3.959 -5.448 525 HG12 VAL 70 2HG1 VAL 70 -2.805 -3.215 -6.163 526 HG13 VAL 70 3HG1 VAL 70 -2.791 -3.663 -4.440 527 HG21 VAL 70 1HG2 VAL 70 -4.964 -4.814 -5.128 528 HG22 VAL 70 2HG2 VAL 70 -4.736 -4.741 -6.892 529 HG23 VAL 70 3HG2 VAL 70 -4.874 -6.317 -6.077 530 H ILE 71 H ILE 71 -2.254 -7.838 -8.737 531 HA ILE 71 HA ILE 71 -0.477 -9.483 -7.165 532 HB ILE 71 HB ILE 71 -2.925 -9.816 -6.401 533 HG12 ILE 71 1HG1 ILE 71 -0.806 -11.254 -6.004 534 HG13 ILE 71 2HG1 ILE 71 -2.383 -11.944 -5.677 535 HG21 ILE 71 1HG2 ILE 71 -4.267 -11.330 -7.681 536 HG22 ILE 71 2HG2 ILE 71 -3.824 -9.960 -8.728 537 HG23 ILE 71 3HG2 ILE 71 -2.986 -11.521 -8.902 538 HD11 ILE 71 1HD1 ILE 71 -1.150 -12.275 -8.424 539 HD12 ILE 71 2HD1 ILE 71 -0.647 -13.331 -7.083 540 HD13 ILE 71 3HD1 ILE 71 -2.349 -13.304 -7.603 541 H SER 72 H SER 72 1.054 -9.900 -8.666 542 HA SER 72 HA SER 72 0.488 -11.459 -10.857 543 HB2 SER 72 1HB SER 72 0.445 -10.054 -12.719 544 HB3 SER 72 2HB SER 72 -0.475 -9.110 -11.564 545 HG SER 72 HG SER 72 2.298 -8.774 -12.310 546 H LYS 73 H LYS 73 2.530 -11.603 -12.356 547 HA LYS 73 HA LYS 73 4.697 -12.008 -12.489 548 HB2 LYS 73 1HB LYS 73 4.860 -9.324 -11.091 549 HB3 LYS 73 2HB LYS 73 6.238 -10.151 -11.788 550 HG2 LYS 73 1HG LYS 73 3.779 -9.744 -13.500 551 HG3 LYS 73 2HG LYS 73 4.835 -8.376 -13.212 552 HD2 LYS 73 1HD LYS 73 6.636 -9.332 -14.368 553 HD3 LYS 73 2HD LYS 73 6.121 -10.974 -14.038 554 HE2 LYS 73 1HE LYS 73 4.272 -10.775 -15.659 555 HE3 LYS 73 2HE LYS 73 4.627 -9.077 -15.912 556 HZ1 LYS 73 1HZ LYS 73 5.577 -10.833 -17.499 557 HZ2 LYS 73 2HZ LYS 73 6.521 -9.578 -17.053 558 HZ3 LYS 73 3HZ LYS 73 6.728 -11.042 -16.359 559 H SER 74 H SER 74 4.729 -13.929 -11.269 560 HA SER 74 HA SER 74 4.721 -13.975 -8.511 561 HB2 SER 74 1HB SER 74 5.707 -15.908 -10.632 562 HB3 SER 74 2HB SER 74 5.891 -16.286 -8.930 563 HG SER 74 HG SER 74 3.835 -16.980 -10.174 564 H LEU 75 H LEU 75 7.550 -14.608 -10.726 565 HA LEU 75 HA LEU 75 9.230 -13.223 -8.765 566 HB2 LEU 75 1HB LEU 75 10.918 -14.912 -8.919 567 HB3 LEU 75 2HB LEU 75 9.412 -15.621 -8.368 568 HG LEU 75 HG LEU 75 9.696 -15.805 -11.268 569 HD11 LEU 75 1HD1 LEU 75 12.136 -15.917 -10.187 570 HD12 LEU 75 2HD1 LEU 75 11.636 -17.601 -9.900 571 HD13 LEU 75 3HD1 LEU 75 11.639 -16.942 -11.554 572 HD21 LEU 75 1HD2 LEU 75 8.874 -17.474 -8.965 573 HD22 LEU 75 2HD2 LEU 75 8.131 -17.269 -10.570 574 HD23 LEU 75 3HD2 LEU 75 9.532 -18.349 -10.369 575 H GLU 76 H GLU 76 8.544 -11.556 -10.529 576 HA GLU 76 HA GLU 76 10.787 -11.362 -12.261 577 HB2 GLU 76 1HB GLU 76 8.216 -12.327 -13.299 578 HB3 GLU 76 2HB GLU 76 8.719 -10.853 -14.103 579 HG2 GLU 76 1HG GLU 76 10.513 -13.300 -13.744 580 HG3 GLU 76 2HG GLU 76 9.585 -12.970 -15.194 581 H ALA 77 H ALA 77 10.178 -9.810 -10.087 582 HA ALA 77 HA ALA 77 9.703 -7.264 -11.341 583 HB1 ALA 77 1HB ALA 77 7.646 -6.812 -10.518 584 HB2 ALA 77 2HB ALA 77 7.495 -8.569 -10.278 585 HB3 ALA 77 3HB ALA 77 8.030 -7.530 -8.935 586 H SER 78 H SER 78 9.760 -8.866 -8.071 587 HA SER 78 HA SER 78 11.077 -8.610 -6.363 588 HB2 SER 78 1HB SER 78 12.846 -8.513 -8.450 589 HB3 SER 78 2HB SER 78 13.163 -6.953 -7.716 590 HG SER 78 HG SER 78 13.086 -8.555 -5.638 591 H GLY 79 H GLY 79 9.379 -7.166 -5.506 592 HA2 GLY 79 1HA GLY 79 10.414 -4.648 -4.678 593 HA3 GLY 79 2HA GLY 79 9.196 -4.442 -5.921 594 H ARG 80 H ARG 80 7.345 -3.786 -4.888 595 HA ARG 80 HA ARG 80 5.758 -5.485 -3.581 596 HB2 ARG 80 1HB ARG 80 7.818 -4.379 -1.752 597 HB3 ARG 80 2HB ARG 80 6.184 -4.120 -1.173 598 HG2 ARG 80 1HG ARG 80 5.842 -6.348 -0.752 599 HG3 ARG 80 2HG ARG 80 6.615 -6.850 -2.242 600 HD2 ARG 80 1HD ARG 80 8.858 -6.129 -1.045 601 HD3 ARG 80 2HD ARG 80 7.913 -6.212 0.428 602 HE ARG 80 HE ARG 80 7.348 -8.615 -0.861 603 HH11 ARG 80 2HH2 ARG 80 10.291 -6.996 0.188 604 HH12 ARG 80 1HH2 ARG 80 11.162 -8.470 0.448 605 HH21 ARG 80 2HH1 ARG 80 8.497 -10.561 -0.519 606 HH22 ARG 80 1HH1 ARG 80 10.135 -10.511 0.043 607 H ILE 81 H ILE 81 3.774 -4.397 -2.752 608 HA ILE 81 HA ILE 81 3.520 -1.764 -3.918 609 HB ILE 81 HB ILE 81 1.486 -3.617 -2.672 610 HG12 ILE 81 1HG1 ILE 81 2.446 -4.640 -4.630 611 HG13 ILE 81 2HG1 ILE 81 0.828 -4.083 -5.007 612 HG21 ILE 81 1HG2 ILE 81 -0.009 -1.987 -2.815 613 HG22 ILE 81 2HG2 ILE 81 1.296 -0.860 -3.256 614 HG23 ILE 81 3HG2 ILE 81 0.393 -1.717 -4.528 615 HD11 ILE 81 1HD1 ILE 81 1.857 -3.153 -6.834 616 HD12 ILE 81 2HD1 ILE 81 2.267 -1.851 -5.691 617 HD13 ILE 81 3HD1 ILE 81 3.453 -3.130 -6.046 618 H TYR 82 H TYR 82 2.877 0.124 -2.781 619 HA TYR 82 HA TYR 82 2.894 -0.087 0.134 620 HB2 TYR 82 1HB TYR 82 4.612 1.664 -1.728 621 HB3 TYR 82 2HB TYR 82 4.444 2.016 -0.020 622 HD1 TYR 82 2HD TYR 82 5.651 -0.568 -2.419 623 HD2 TYR 82 1HD TYR 82 5.791 0.917 1.591 624 HE1 TYR 82 2HE TYR 82 7.585 -2.134 -1.899 625 HE2 TYR 82 1HE TYR 82 7.725 -0.655 2.097 626 HH TYR 82 HH TYR 82 9.620 -1.883 0.087 627 H VAL 83 H VAL 83 1.536 1.381 1.155 628 HA VAL 83 HA VAL 83 0.019 3.096 -0.676 629 HB VAL 83 HB VAL 83 -1.260 1.374 0.457 630 HG11 VAL 83 1HG1 VAL 83 0.146 1.021 2.420 631 HG12 VAL 83 2HG1 VAL 83 -0.270 2.639 3.036 632 HG13 VAL 83 3HG1 VAL 83 -1.525 1.382 2.915 633 HG21 VAL 83 1HG2 VAL 83 -1.897 4.052 1.730 634 HG22 VAL 83 2HG2 VAL 83 -2.226 3.664 0.024 635 HG23 VAL 83 3HG2 VAL 83 -3.027 2.740 1.317 636 H TYR 84 H TYR 84 -0.553 5.274 0.055 637 HA TYR 84 HA TYR 84 0.870 6.311 2.338 638 HB2 TYR 84 1HB TYR 84 1.387 7.117 -0.593 639 HB3 TYR 84 2HB TYR 84 2.006 8.018 0.776 640 HD1 TYR 84 1HD TYR 84 3.293 6.358 2.561 641 HD2 TYR 84 2HD TYR 84 2.915 5.746 -1.656 642 HE1 TYR 84 1HE TYR 84 5.369 4.890 2.581 643 HE2 TYR 84 2HE TYR 84 4.991 4.279 -1.622 644 HH TYR 84 HH TYR 84 6.214 2.930 -0.062 645 H ARG 85 H ARG 85 0.546 8.883 2.296 646 HA ARG 85 HA ARG 85 -2.279 9.173 1.861 647 HB2 ARG 85 1HB ARG 85 -0.565 10.010 3.886 648 HB3 ARG 85 2HB ARG 85 -0.753 11.485 2.960 649 HG2 ARG 85 1HG ARG 85 -3.231 9.885 3.603 650 HG3 ARG 85 2HG ARG 85 -2.493 10.817 4.890 651 HD2 ARG 85 1HD ARG 85 -2.583 12.497 2.546 652 HD3 ARG 85 2HD ARG 85 -4.163 11.761 2.729 653 HE ARG 85 HE ARG 85 -3.286 12.671 5.299 654 HH11 ARG 85 2HH2 ARG 85 -4.355 13.954 2.202 655 HH12 ARG 85 1HH2 ARG 85 -4.984 15.418 2.881 656 HH21 ARG 85 2HH1 ARG 85 -4.116 14.602 6.195 657 HH22 ARG 85 1HH1 ARG 85 -4.847 15.789 5.168 658 H LYS 86 H LYS 86 -3.126 10.298 0.125 659 HA LYS 86 HA LYS 86 -1.400 11.328 -1.848 660 HB2 LYS 86 1HB LYS 86 -4.401 11.473 -1.460 661 HB3 LYS 86 2HB LYS 86 -3.580 12.111 -2.870 662 HG2 LYS 86 1HG LYS 86 -2.490 9.534 -2.598 663 HG3 LYS 86 2HG LYS 86 -4.172 9.310 -2.160 664 HD2 LYS 86 1HD LYS 86 -4.510 9.155 -4.419 665 HD3 LYS 86 2HD LYS 86 -4.467 10.906 -4.374 666 HE2 LYS 86 1HE LYS 86 -1.738 10.012 -4.460 667 HE3 LYS 86 2HE LYS 86 -2.613 9.086 -5.663 668 HZ1 LYS 86 1HZ LYS 86 -2.437 10.882 -6.909 669 HZ2 LYS 86 2HZ LYS 86 -3.544 11.610 -5.954 670 HZ3 LYS 86 3HZ LYS 86 -1.951 11.833 -5.672 671 H ASP 87 H ASP 87 -0.680 13.385 -2.277 672 HA ASP 87 HA ASP 87 -1.818 15.700 -1.578 673 HB2 ASP 87 1HB ASP 87 -0.668 14.404 0.769 674 HB3 ASP 87 2HB ASP 87 0.197 15.893 0.443 675 H LEU 88 H LEU 88 1.481 14.418 -0.676 676 HA LEU 88 HA LEU 88 2.942 16.435 -1.826 677 HB2 LEU 88 1HB LEU 88 3.616 13.524 -1.391 678 HB3 LEU 88 2HB LEU 88 4.787 14.736 -1.872 679 HG LEU 88 HG LEU 88 3.301 15.579 0.488 680 HD11 LEU 88 1HD1 LEU 88 3.662 13.920 1.999 681 HD12 LEU 88 2HD1 LEU 88 3.436 12.919 0.544 682 HD13 LEU 88 3HD1 LEU 88 5.077 13.276 1.133 683 HD21 LEU 88 1HD2 LEU 88 5.348 16.341 1.198 684 HD22 LEU 88 2HD2 LEU 88 6.240 14.999 0.439 685 HD23 LEU 88 3HD2 LEU 88 5.590 16.317 -0.566 686 H ALA 89 H ALA 89 2.127 17.118 -3.836 687 HA ALA 89 HA ALA 89 1.566 16.951 -6.008 688 HB1 ALA 89 1HB ALA 89 4.068 15.517 -6.652 689 HB2 ALA 89 2HB ALA 89 3.526 17.143 -7.131 690 HB3 ALA 89 3HB ALA 89 4.283 16.889 -5.540 691 H ASP 90 H ASP 90 2.652 14.927 -7.925 692 HA ASP 90 HA ASP 90 0.518 13.174 -7.803 693 HB2 ASP 90 1HB ASP 90 2.894 13.630 -9.478 694 HB3 ASP 90 2HB ASP 90 2.519 11.922 -9.361 695 H THR 91 H THR 91 4.097 12.476 -7.538 696 HA THR 91 HA THR 91 3.956 9.882 -6.701 697 HB THR 91 HB THR 91 5.953 11.928 -5.628 698 HG1 THR 91 1HG THR 91 6.499 12.217 -7.763 699 HG21 THR 91 1HG2 THR 91 7.485 9.970 -6.510 700 HG22 THR 91 2HG2 THR 91 6.641 9.743 -4.959 701 HG23 THR 91 3HG2 THR 91 5.997 8.995 -6.441 702 H LEU 92 H LEU 92 4.503 8.965 -4.492 703 HA LEU 92 HA LEU 92 2.825 10.356 -2.523 704 HB2 LEU 92 1HB LEU 92 3.235 7.433 -3.110 705 HB3 LEU 92 2HB LEU 92 2.600 7.987 -1.574 706 HG LEU 92 HG LEU 92 1.083 7.319 -3.717 707 HD11 LEU 92 1HD1 LEU 92 0.679 8.855 -1.238 708 HD12 LEU 92 2HD1 LEU 92 -0.574 9.098 -2.478 709 HD13 LEU 92 3HD1 LEU 92 -0.210 7.458 -1.890 710 HD21 LEU 92 1HD2 LEU 92 1.324 10.338 -3.841 711 HD22 LEU 92 2HD2 LEU 92 1.896 9.187 -5.074 712 HD23 LEU 92 3HD2 LEU 92 0.155 9.335 -4.733 713 H ASN 93 H ASN 93 3.547 8.957 -0.232 714 HA ASN 93 HA ASN 93 6.362 8.807 -0.043 715 HB2 ASN 93 1HB ASN 93 5.022 11.358 0.551 716 HB3 ASN 93 2HB ASN 93 5.817 10.732 1.982 717 HD21 ASN 93 1HD2 ASN 93 6.218 11.733 -1.350 718 HD22 ASN 93 2HD2 ASN 93 7.928 12.006 -1.320 719 HA PRO 94 HA PRO 94 4.979 6.546 3.450 720 HB2 PRO 94 1HB PRO 94 7.228 6.407 4.996 721 HB3 PRO 94 2HB PRO 94 6.958 5.380 3.603 722 HG2 PRO 94 1HG PRO 94 8.753 7.714 3.864 723 HG3 PRO 94 2HG PRO 94 8.776 6.441 2.660 724 HD2 PRO 94 1HD PRO 94 7.794 9.113 2.312 725 HD3 PRO 94 2HD PRO 94 7.713 7.806 1.147 726 H PHE 95 H PHE 95 3.547 7.010 4.988 727 HA PHE 95 HA PHE 95 3.206 9.487 5.976 728 HB2 PHE 95 1HB PHE 95 2.704 6.649 6.908 729 HB3 PHE 95 2HB PHE 95 2.423 7.907 8.095 730 HD1 PHE 95 1HD PHE 95 0.820 9.806 7.446 731 HD2 PHE 95 2HD PHE 95 1.073 6.149 5.309 732 HE1 PHE 95 1HE PHE 95 -1.456 10.218 6.470 733 HE2 PHE 95 2HE PHE 95 -1.202 6.561 4.333 734 HZ PHE 95 HZ PHE 95 -2.439 8.591 4.925 735 H ALA 96 H ALA 96 4.326 7.001 8.330 736 HA ALA 96 HA ALA 96 5.848 9.057 9.676 737 HB1 ALA 96 1HB ALA 96 5.492 7.780 11.513 738 HB2 ALA 96 2HB ALA 96 4.320 6.906 10.497 739 HB3 ALA 96 3HB ALA 96 5.978 6.285 10.679 740 H GLU 97 H GLU 97 8.003 7.750 10.750 741 HA GLU 97 HA GLU 97 9.392 6.503 8.551 742 HB2 GLU 97 1HB GLU 97 9.736 9.267 9.161 743 HB3 GLU 97 2HB GLU 97 11.169 8.458 9.762 744 HG2 GLU 97 1HG GLU 97 11.736 7.584 7.618 745 HG3 GLU 97 2HG GLU 97 10.115 7.811 6.991 746 H ASN 98 H ASN 98 10.769 4.890 9.269 747 HA ASN 98 HA ASN 98 11.808 3.551 10.619 748 HB2 ASN 98 1HB ASN 98 12.160 6.166 12.106 749 HB3 ASN 98 2HB ASN 98 12.630 4.688 12.922 750 HD21 ASN 98 1HD2 ASN 98 12.984 6.464 9.872 751 HD22 ASN 98 2HD2 ASN 98 14.609 5.981 9.516 752 H SER 99 H SER 99 11.336 2.110 12.451 753 HA SER 99 HA SER 99 9.658 2.816 14.528 754 HB2 SER 99 1HB SER 99 7.990 2.877 12.577 755 HB3 SER 99 2HB SER 99 8.219 1.147 12.424 756 HG SER 99 HG SER 99 6.415 2.181 13.907 757 H GLY 100 H GLY 100 9.172 0.898 15.930 758 HA2 GLY 100 1HA GLY 100 11.281 -0.915 16.043 759 HA3 GLY 100 2HA GLY 100 9.753 -1.047 16.890 760 HA PRO 101 HA PRO 101 9.877 -3.707 12.946 761 HB2 PRO 101 1HB PRO 101 12.132 -5.248 12.848 762 HB3 PRO 101 2HB PRO 101 11.933 -3.780 11.912 763 HG2 PRO 101 1HG PRO 101 13.560 -4.224 14.339 764 HG3 PRO 101 2HG PRO 101 13.672 -2.928 13.164 765 HD2 PRO 101 1HD PRO 101 12.506 -2.777 15.781 766 HD3 PRO 101 2HD PRO 101 12.514 -1.517 14.563 767 H SER 102 H SER 102 9.086 -5.846 12.737 768 HA SER 102 HA SER 102 8.216 -7.670 13.526 769 HB2 SER 102 1HB SER 102 10.791 -7.907 14.260 770 HB3 SER 102 2HB SER 102 10.099 -7.847 15.869 771 HG SER 102 HG SER 102 8.630 -9.617 15.152 772 H SER 103 H SER 103 6.252 -7.730 14.557 773 HA SER 103 HA SER 103 6.059 -6.181 17.017 774 HB2 SER 103 1HB SER 103 4.555 -5.981 14.694 775 HB3 SER 103 2HB SER 103 3.539 -7.006 15.687 776 HG SER 103 HG SER 103 3.733 -5.371 17.406 777 H GLY 104 H GLY 104 6.055 -7.448 18.836 778 HA2 GLY 104 1HA GLY 104 4.984 -10.188 18.598 779 HA3 GLY 104 2HA GLY 104 6.186 -9.646 19.753 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -13.500 -9.294 -19.820 2 HA2 GLY 1 1HA GLY 1 -14.619 -8.548 -17.817 3 HA3 GLY 1 2HA GLY 1 -15.757 -9.398 -18.844 4 H SER 2 H SER 2 -16.355 -11.629 -18.346 5 HA SER 2 HA SER 2 -15.822 -12.228 -15.544 6 HB2 SER 2 1HB SER 2 -17.977 -13.588 -15.715 7 HB3 SER 2 2HB SER 2 -18.166 -11.849 -15.826 8 HG SER 2 HG SER 2 -19.305 -12.427 -17.579 9 H SER 3 H SER 3 -14.009 -13.584 -15.669 10 HA SER 3 HA SER 3 -14.411 -15.964 -17.307 11 HB2 SER 3 1HB SER 3 -12.480 -14.115 -17.819 12 HB3 SER 3 2HB SER 3 -11.615 -15.104 -16.660 13 HG SER 3 HG SER 3 -12.719 -16.889 -18.251 14 H GLY 4 H GLY 4 -12.404 -14.621 -14.575 15 HA2 GLY 4 1HA GLY 4 -12.688 -17.232 -13.218 16 HA3 GLY 4 2HA GLY 4 -11.346 -16.122 -13.024 17 H SER 5 H SER 5 -14.909 -16.454 -12.513 18 HA SER 5 HA SER 5 -15.448 -14.218 -11.164 19 HB2 SER 5 1HB SER 5 -16.526 -16.926 -11.282 20 HB3 SER 5 2HB SER 5 -16.731 -16.269 -9.670 21 HG SER 5 HG SER 5 -17.856 -14.468 -10.536 22 H SER 6 H SER 6 -14.373 -17.320 -9.575 23 HA SER 6 HA SER 6 -13.769 -15.838 -7.199 24 HB2 SER 6 1HB SER 6 -13.368 -18.006 -6.180 25 HB3 SER 6 2HB SER 6 -14.832 -18.112 -7.138 26 HG SER 6 HG SER 6 -12.719 -18.743 -8.743 27 H GLY 7 H GLY 7 -11.666 -15.460 -6.358 28 HA2 GLY 7 1HA GLY 7 -9.573 -15.227 -8.248 29 HA3 GLY 7 2HA GLY 7 -9.474 -14.973 -6.517 30 H GLU 8 H GLU 8 -7.382 -16.033 -6.454 31 HA GLU 8 HA GLU 8 -7.660 -18.928 -6.679 32 HB2 GLU 8 1HB GLU 8 -6.001 -17.354 -8.255 33 HB3 GLU 8 2HB GLU 8 -4.913 -17.859 -6.977 34 HG2 GLU 8 1HG GLU 8 -6.096 -20.253 -7.459 35 HG3 GLU 8 2HG GLU 8 -6.334 -19.528 -9.037 36 H GLU 9 H GLU 9 -8.042 -16.957 -4.397 37 HA GLU 9 HA GLU 9 -7.552 -16.753 -2.291 38 HB2 GLU 9 1HB GLU 9 -6.342 -19.529 -2.648 39 HB3 GLU 9 2HB GLU 9 -6.639 -18.783 -1.090 40 HG2 GLU 9 1HG GLU 9 -8.940 -18.858 -3.027 41 HG3 GLU 9 2HG GLU 9 -8.456 -20.382 -2.311 42 H ILE 10 H ILE 10 -6.130 -15.000 -2.236 43 HA ILE 10 HA ILE 10 -3.378 -15.684 -1.698 44 HB ILE 10 HB ILE 10 -3.826 -15.270 -4.257 45 HG12 ILE 10 1HG1 ILE 10 -1.469 -13.752 -3.746 46 HG13 ILE 10 2HG1 ILE 10 -1.591 -14.964 -2.486 47 HG21 ILE 10 1HG2 ILE 10 -4.984 -13.112 -3.898 48 HG22 ILE 10 2HG2 ILE 10 -3.471 -12.435 -3.249 49 HG23 ILE 10 3HG2 ILE 10 -3.551 -12.970 -4.944 50 HD11 ILE 10 1HD1 ILE 10 -1.900 -16.740 -4.207 51 HD12 ILE 10 2HD1 ILE 10 -1.773 -15.508 -5.486 52 HD13 ILE 10 3HD1 ILE 10 -0.372 -15.857 -4.445 53 H PHE 11 H PHE 11 -2.202 -13.324 -1.351 54 HA PHE 11 HA PHE 11 -4.127 -11.649 0.079 55 HB2 PHE 11 1HB PHE 11 -1.711 -13.199 1.015 56 HB3 PHE 11 2HB PHE 11 -1.831 -11.565 1.636 57 HD1 PHE 11 1HD PHE 11 -3.527 -14.838 1.507 58 HD2 PHE 11 2HD PHE 11 -3.422 -11.000 3.314 59 HE1 PHE 11 1HE PHE 11 -5.127 -15.626 3.273 60 HE2 PHE 11 2HE PHE 11 -5.023 -11.788 5.080 61 HZ PHE 11 HZ PHE 11 -5.856 -14.092 5.038 62 H CYS 12 H CYS 12 -3.524 -9.417 0.258 63 HA CYS 12 HA CYS 12 -1.322 -8.719 -1.543 64 HB2 CYS 12 1HB CYS 12 -3.324 -7.948 -2.545 65 HB3 CYS 12 2HB CYS 12 -3.974 -7.365 -1.026 66 HG CYS 12 HG CYS 12 -1.032 -6.291 -1.938 67 H HIS 13 H HIS 13 0.445 -7.976 -0.422 68 HA HIS 13 HA HIS 13 0.024 -7.008 2.274 69 HB2 HIS 13 1HB HIS 13 2.512 -7.717 0.702 70 HB3 HIS 13 2HB HIS 13 2.550 -7.053 2.324 71 HD1 HIS 13 1HD HIS 13 2.061 -10.214 0.450 72 HD2 HIS 13 2HD HIS 13 1.420 -8.809 4.351 73 HE1 HIS 13 1HE HIS 13 1.715 -12.280 1.906 74 H VAL 14 H VAL 14 -0.133 -4.877 2.754 75 HA VAL 14 HA VAL 14 0.987 -3.005 0.783 76 HB VAL 14 HB VAL 14 -1.601 -2.978 2.316 77 HG11 VAL 14 1HG1 VAL 14 -0.194 -0.602 1.054 78 HG12 VAL 14 2HG1 VAL 14 -1.905 -0.622 1.546 79 HG13 VAL 14 3HG1 VAL 14 -0.625 -0.815 2.768 80 HG21 VAL 14 1HG2 VAL 14 -0.842 -2.672 -0.603 81 HG22 VAL 14 2HG2 VAL 14 -1.778 -3.983 0.155 82 HG23 VAL 14 3HG2 VAL 14 -2.474 -2.350 0.030 83 H TYR 15 H TYR 15 2.948 -2.530 1.739 84 HA TYR 15 HA TYR 15 3.242 -2.303 4.545 85 HB2 TYR 15 1HB TYR 15 4.759 -1.610 1.981 86 HB3 TYR 15 2HB TYR 15 5.407 -1.051 3.511 87 HD1 TYR 15 2HD TYR 15 3.651 -4.290 3.024 88 HD2 TYR 15 1HD TYR 15 7.420 -2.330 3.532 89 HE1 TYR 15 2HE TYR 15 4.782 -6.540 3.372 90 HE2 TYR 15 1HE TYR 15 8.538 -4.587 3.879 91 HH TYR 15 HH TYR 15 7.198 -7.142 4.775 92 H ILE 16 H ILE 16 2.388 -0.704 5.777 93 HA ILE 16 HA ILE 16 1.590 1.763 4.610 94 HB ILE 16 HB ILE 16 1.776 0.940 7.510 95 HG12 ILE 16 1HG1 ILE 16 -0.761 0.884 5.910 96 HG13 ILE 16 2HG1 ILE 16 0.359 -0.457 5.776 97 HG21 ILE 16 1HG2 ILE 16 0.988 2.943 8.048 98 HG22 ILE 16 2HG2 ILE 16 1.243 3.451 6.361 99 HG23 ILE 16 3HG2 ILE 16 -0.334 2.797 6.866 100 HD11 ILE 16 1HD1 ILE 16 0.319 -0.775 8.234 101 HD12 ILE 16 2HD1 ILE 16 -0.775 0.619 8.400 102 HD13 ILE 16 3HD1 ILE 16 -1.327 -0.850 7.562 103 H THR 17 H THR 17 4.040 0.933 7.170 104 HA THR 17 HA THR 17 5.456 3.392 6.391 105 HB THR 17 HB THR 17 6.374 3.264 8.714 106 HG1 THR 17 1HG THR 17 6.057 0.789 8.554 107 HG21 THR 17 1HG2 THR 17 4.472 4.084 9.740 108 HG22 THR 17 2HG2 THR 17 3.765 3.962 8.111 109 HG23 THR 17 3HG2 THR 17 3.509 2.656 9.293 110 H GLU 18 H GLU 18 7.664 1.963 8.191 111 HA GLU 18 HA GLU 18 8.895 0.788 5.849 112 HB2 GLU 18 1HB GLU 18 9.987 2.634 7.308 113 HB3 GLU 18 2HB GLU 18 10.249 1.382 8.505 114 HG2 GLU 18 1HG GLU 18 12.220 1.072 7.365 115 HG3 GLU 18 2HG GLU 18 11.223 0.086 6.314 116 H HIS 19 H HIS 19 7.745 0.047 9.137 117 HA HIS 19 HA HIS 19 8.375 -2.758 8.589 118 HB2 HIS 19 1HB HIS 19 8.479 -1.551 11.356 119 HB3 HIS 19 2HB HIS 19 9.022 -3.136 10.844 120 HD1 HIS 19 1HD HIS 19 11.304 -3.267 9.516 121 HD2 HIS 19 2HD HIS 19 10.305 0.546 10.949 122 HE1 HIS 19 1HE HIS 19 13.426 -1.861 9.346 123 H SER 20 H SER 20 5.965 -1.326 7.907 124 HA SER 20 HA SER 20 4.169 -2.798 9.639 125 HB2 SER 20 1HB SER 20 3.501 0.021 8.717 126 HB3 SER 20 2HB SER 20 2.643 -0.954 9.894 127 HG SER 20 HG SER 20 4.649 -0.853 11.229 128 H TYR 21 H TYR 21 2.300 -3.616 8.539 129 HA TYR 21 HA TYR 21 1.764 -2.779 5.846 130 HB2 TYR 21 1HB TYR 21 2.445 -4.889 4.833 131 HB3 TYR 21 2HB TYR 21 3.788 -4.445 5.867 132 HD1 TYR 21 2HD TYR 21 3.880 -5.493 8.229 133 HD2 TYR 21 1HD TYR 21 1.364 -6.966 5.097 134 HE1 TYR 21 2HE TYR 21 3.691 -7.730 9.422 135 HE2 TYR 21 1HE TYR 21 1.183 -9.197 6.301 136 HH TYR 21 HH TYR 21 3.169 -10.269 8.415 137 H VAL 22 H VAL 22 0.124 -4.641 4.889 138 HA VAL 22 HA VAL 22 -1.560 -5.593 7.064 139 HB VAL 22 HB VAL 22 -2.711 -3.956 4.812 140 HG11 VAL 22 1HG1 VAL 22 -4.014 -5.671 6.341 141 HG12 VAL 22 2HG1 VAL 22 -3.968 -4.330 7.510 142 HG13 VAL 22 3HG1 VAL 22 -4.729 -4.097 5.918 143 HG21 VAL 22 1HG2 VAL 22 -2.921 -2.088 6.453 144 HG22 VAL 22 2HG2 VAL 22 -1.876 -2.999 7.569 145 HG23 VAL 22 3HG2 VAL 22 -1.238 -2.451 6.001 146 H SER 23 H SER 23 -2.719 -7.465 6.527 147 HA SER 23 HA SER 23 -1.923 -8.572 3.966 148 HB2 SER 23 1HB SER 23 -2.258 -10.736 4.927 149 HB3 SER 23 2HB SER 23 -1.446 -9.792 6.159 150 HG SER 23 HG SER 23 -3.340 -11.082 6.897 151 H VAL 24 H VAL 24 -3.479 -7.637 2.552 152 HA VAL 24 HA VAL 24 -6.278 -7.918 3.274 153 HB VAL 24 HB VAL 24 -4.874 -6.612 0.935 154 HG11 VAL 24 1HG1 VAL 24 -7.769 -7.034 1.571 155 HG12 VAL 24 2HG1 VAL 24 -7.278 -5.487 0.841 156 HG13 VAL 24 3HG1 VAL 24 -6.932 -7.017 0.000 157 HG21 VAL 24 1HG2 VAL 24 -5.336 -5.759 3.639 158 HG22 VAL 24 2HG2 VAL 24 -4.542 -4.886 2.306 159 HG23 VAL 24 3HG2 VAL 24 -6.302 -4.749 2.536 160 H LYS 25 H LYS 25 -7.504 -9.615 2.636 161 HA LYS 25 HA LYS 25 -6.296 -11.516 0.817 162 HB2 LYS 25 1HB LYS 25 -7.199 -12.454 2.808 163 HB3 LYS 25 2HB LYS 25 -8.708 -11.580 2.638 164 HG2 LYS 25 1HG LYS 25 -9.205 -12.853 0.537 165 HG3 LYS 25 2HG LYS 25 -7.699 -13.731 0.716 166 HD2 LYS 25 1HD LYS 25 -9.206 -13.864 3.208 167 HD3 LYS 25 2HD LYS 25 -10.229 -14.366 1.876 168 HE2 LYS 25 1HE LYS 25 -9.043 -16.294 1.527 169 HE3 LYS 25 2HE LYS 25 -7.496 -15.487 1.695 170 HZ1 LYS 25 1HZ LYS 25 -7.675 -15.606 4.028 171 HZ2 LYS 25 2HZ LYS 25 -9.227 -16.112 3.982 172 HZ3 LYS 25 3HZ LYS 25 -8.032 -17.097 3.465 173 H ALA 26 H ALA 26 -6.402 -10.786 -1.280 174 HA ALA 26 HA ALA 26 -9.095 -10.060 -2.217 175 HB1 ALA 26 1HB ALA 26 -7.163 -9.103 -4.043 176 HB2 ALA 26 2HB ALA 26 -8.149 -8.144 -2.913 177 HB3 ALA 26 3HB ALA 26 -6.533 -8.708 -2.426 178 H LYS 27 H LYS 27 -8.974 -10.354 -4.858 179 HA LYS 27 HA LYS 27 -8.707 -13.176 -5.157 180 HB2 LYS 27 1HB LYS 27 -9.337 -11.093 -7.266 181 HB3 LYS 27 2HB LYS 27 -9.655 -12.813 -7.350 182 HG2 LYS 27 1HG LYS 27 -10.844 -10.979 -5.217 183 HG3 LYS 27 2HG LYS 27 -11.667 -11.392 -6.708 184 HD2 LYS 27 1HD LYS 27 -12.204 -13.499 -5.981 185 HD3 LYS 27 2HD LYS 27 -10.626 -13.763 -5.268 186 HE2 LYS 27 1HE LYS 27 -11.847 -11.748 -3.667 187 HE3 LYS 27 2HE LYS 27 -13.109 -12.924 -3.975 188 HZ1 LYS 27 1HZ LYS 27 -11.141 -13.169 -2.154 189 HZ2 LYS 27 2HZ LYS 27 -12.095 -14.384 -2.684 190 HZ3 LYS 27 3HZ LYS 27 -10.626 -14.146 -3.357 191 H VAL 28 H VAL 28 -7.637 -13.883 -7.437 192 HA VAL 28 HA VAL 28 -4.856 -13.259 -7.073 193 HB VAL 28 HB VAL 28 -5.733 -15.541 -7.458 194 HG11 VAL 28 1HG1 VAL 28 -7.011 -14.257 -9.705 195 HG12 VAL 28 2HG1 VAL 28 -5.987 -15.598 -10.272 196 HG13 VAL 28 3HG1 VAL 28 -7.250 -15.896 -9.054 197 HG21 VAL 28 1HG2 VAL 28 -3.826 -16.214 -8.512 198 HG22 VAL 28 2HG2 VAL 28 -4.000 -15.031 -9.830 199 HG23 VAL 28 3HG2 VAL 28 -3.385 -14.511 -8.243 200 H SER 29 H SER 29 -7.443 -11.803 -8.693 201 HA SER 29 HA SER 29 -5.542 -10.443 -10.404 202 HB2 SER 29 1HB SER 29 -6.792 -12.225 -11.729 203 HB3 SER 29 2HB SER 29 -8.277 -11.359 -11.392 204 HG SER 29 HG SER 29 -6.690 -9.471 -12.316 205 H SER 30 H SER 30 -6.789 -9.788 -7.811 206 HA SER 30 HA SER 30 -8.961 -8.055 -8.348 207 HB2 SER 30 1HB SER 30 -7.825 -9.262 -6.076 208 HB3 SER 30 2HB SER 30 -7.520 -7.554 -5.833 209 HG SER 30 HG SER 30 -10.127 -8.299 -6.710 210 H ILE 31 H ILE 31 -8.877 -5.650 -7.794 211 HA ILE 31 HA ILE 31 -6.458 -4.540 -8.967 212 HB ILE 31 HB ILE 31 -7.886 -2.446 -8.995 213 HG12 ILE 31 1HG1 ILE 31 -10.195 -4.338 -8.535 214 HG13 ILE 31 2HG1 ILE 31 -9.483 -3.414 -7.227 215 HG21 ILE 31 1HG2 ILE 31 -9.309 -4.478 -10.620 216 HG22 ILE 31 2HG2 ILE 31 -8.526 -2.954 -11.102 217 HG23 ILE 31 3HG2 ILE 31 -7.540 -4.407 -10.807 218 HD11 ILE 31 1HD1 ILE 31 -10.991 -1.812 -7.863 219 HD12 ILE 31 2HD1 ILE 31 -9.785 -1.440 -9.118 220 HD13 ILE 31 3HD1 ILE 31 -11.169 -2.493 -9.498 221 H ALA 32 H ALA 32 -5.685 -2.383 -7.984 222 HA ALA 32 HA ALA 32 -4.838 -2.889 -5.374 223 HB1 ALA 32 1HB ALA 32 -4.888 -0.077 -6.358 224 HB2 ALA 32 2HB ALA 32 -3.536 -1.042 -5.716 225 HB3 ALA 32 3HB ALA 32 -4.064 -1.260 -7.403 226 H GLN 33 H GLN 33 -7.489 -0.841 -6.720 227 HA GLN 33 HA GLN 33 -8.201 0.491 -4.486 228 HB2 GLN 33 1HB GLN 33 -9.335 1.035 -6.492 229 HB3 GLN 33 2HB GLN 33 -9.804 -0.626 -6.799 230 HG2 GLN 33 1HG GLN 33 -11.740 -0.365 -5.644 231 HG3 GLN 33 2HG GLN 33 -10.880 0.208 -4.228 232 HE21 GLN 33 1HE2 GLN 33 -10.029 2.482 -4.379 233 HE22 GLN 33 2HE2 GLN 33 -11.067 3.689 -5.062 234 H GLU 34 H GLU 34 -9.045 -2.890 -5.419 235 HA GLU 34 HA GLU 34 -10.862 -3.353 -3.410 236 HB2 GLU 34 1HB GLU 34 -9.018 -5.114 -5.035 237 HB3 GLU 34 2HB GLU 34 -9.951 -5.825 -3.734 238 HG2 GLU 34 1HG GLU 34 -11.179 -4.141 -5.966 239 HG3 GLU 34 2HG GLU 34 -11.085 -5.890 -6.012 240 H ILE 35 H ILE 35 -7.412 -2.887 -3.273 241 HA ILE 35 HA ILE 35 -7.291 -4.146 -0.635 242 HB ILE 35 HB ILE 35 -4.963 -3.057 -2.190 243 HG12 ILE 35 1HG1 ILE 35 -6.010 -4.494 -3.780 244 HG13 ILE 35 2HG1 ILE 35 -4.650 -5.364 -3.098 245 HG21 ILE 35 1HG2 ILE 35 -4.545 -5.483 -0.670 246 HG22 ILE 35 2HG2 ILE 35 -3.735 -3.904 -0.546 247 HG23 ILE 35 3HG2 ILE 35 -5.244 -4.203 0.349 248 HD11 ILE 35 1HD1 ILE 35 -7.414 -5.670 -1.886 249 HD12 ILE 35 2HD1 ILE 35 -6.940 -6.608 -3.322 250 HD13 ILE 35 3HD1 ILE 35 -6.030 -6.787 -1.802 251 H LEU 36 H LEU 36 -6.579 -1.069 -2.403 252 HA LEU 36 HA LEU 36 -5.784 0.393 -0.190 253 HB2 LEU 36 1HB LEU 36 -5.529 1.000 -2.587 254 HB3 LEU 36 2HB LEU 36 -7.239 1.377 -2.648 255 HG LEU 36 HG LEU 36 -6.689 3.011 -0.675 256 HD11 LEU 36 1HD1 LEU 36 -4.123 1.957 -1.141 257 HD12 LEU 36 2HD1 LEU 36 -4.095 3.619 -1.777 258 HD13 LEU 36 3HD1 LEU 36 -4.572 3.320 -0.088 259 HD21 LEU 36 1HD2 LEU 36 -6.217 3.369 -3.613 260 HD22 LEU 36 2HD2 LEU 36 -7.507 4.019 -2.572 261 HD23 LEU 36 3HD2 LEU 36 -5.868 4.710 -2.496 262 H LYS 37 H LYS 37 -9.046 -0.379 -1.475 263 HA LYS 37 HA LYS 37 -10.443 1.393 0.181 264 HB2 LYS 37 1HB LYS 37 -12.402 0.074 -0.431 265 HB3 LYS 37 2HB LYS 37 -11.401 0.400 -1.832 266 HG2 LYS 37 1HG LYS 37 -11.432 -1.836 -2.234 267 HG3 LYS 37 2HG LYS 37 -10.347 -2.009 -0.869 268 HD2 LYS 37 1HD LYS 37 -12.191 -2.411 0.663 269 HD3 LYS 37 2HD LYS 37 -13.377 -1.933 -0.535 270 HE2 LYS 37 1HE LYS 37 -11.662 -4.086 -1.559 271 HE3 LYS 37 2HE LYS 37 -12.421 -4.553 -0.050 272 HZ1 LYS 37 1HZ LYS 37 -13.710 -3.733 -2.537 273 HZ2 LYS 37 2HZ LYS 37 -13.963 -5.081 -1.650 274 HZ3 LYS 37 3HZ LYS 37 -14.518 -3.639 -1.121 275 H VAL 38 H VAL 38 -8.989 -1.802 0.706 276 HA VAL 38 HA VAL 38 -10.391 -2.159 3.201 277 HB VAL 38 HB VAL 38 -8.070 -3.728 2.075 278 HG11 VAL 38 1HG1 VAL 38 -9.417 -3.896 4.516 279 HG12 VAL 38 2HG1 VAL 38 -10.128 -5.193 3.525 280 HG13 VAL 38 3HG1 VAL 38 -8.368 -5.135 3.787 281 HG21 VAL 38 1HG2 VAL 38 -9.531 -5.077 0.824 282 HG22 VAL 38 2HG2 VAL 38 -10.975 -4.431 1.639 283 HG23 VAL 38 3HG2 VAL 38 -10.075 -3.416 0.487 284 H VAL 39 H VAL 39 -6.938 -1.715 2.145 285 HA VAL 39 HA VAL 39 -5.808 -1.496 4.615 286 HB VAL 39 HB VAL 39 -5.164 -0.018 2.057 287 HG11 VAL 39 1HG1 VAL 39 -2.877 -0.569 3.740 288 HG12 VAL 39 2HG1 VAL 39 -3.442 0.979 3.068 289 HG13 VAL 39 3HG1 VAL 39 -4.079 0.400 4.626 290 HG21 VAL 39 1HG2 VAL 39 -5.172 -2.431 1.761 291 HG22 VAL 39 2HG2 VAL 39 -3.497 -1.829 1.746 292 HG23 VAL 39 3HG2 VAL 39 -4.139 -2.641 3.195 293 H ALA 40 H ALA 40 -7.190 1.193 2.599 294 HA ALA 40 HA ALA 40 -6.733 3.309 4.175 295 HB1 ALA 40 1HB ALA 40 -8.979 4.152 3.340 296 HB2 ALA 40 2HB ALA 40 -7.893 3.520 2.079 297 HB3 ALA 40 3HB ALA 40 -9.253 2.529 2.662 298 H GLU 41 H GLU 41 -9.413 0.906 4.615 299 HA GLU 41 HA GLU 41 -10.372 2.181 6.918 300 HB2 GLU 41 1HB GLU 41 -10.767 -0.752 6.220 301 HB3 GLU 41 2HB GLU 41 -11.848 0.289 7.124 302 HG2 GLU 41 1HG GLU 41 -11.302 1.475 4.516 303 HG3 GLU 41 2HG GLU 41 -11.838 -0.181 4.308 304 H LYS 42 H LYS 42 -8.159 -0.610 6.323 305 HA LYS 42 HA LYS 42 -7.883 -1.494 8.906 306 HB2 LYS 42 1HB LYS 42 -6.557 -1.831 6.376 307 HB3 LYS 42 2HB LYS 42 -5.347 -1.672 7.633 308 HG2 LYS 42 1HG LYS 42 -5.909 -4.017 7.505 309 HG3 LYS 42 2HG LYS 42 -6.618 -3.412 8.989 310 HD2 LYS 42 1HD LYS 42 -8.561 -4.340 8.241 311 HD3 LYS 42 2HD LYS 42 -8.667 -2.947 7.182 312 HE2 LYS 42 1HE LYS 42 -8.917 -5.147 5.969 313 HE3 LYS 42 2HE LYS 42 -7.614 -4.155 5.346 314 HZ1 LYS 42 1HZ LYS 42 -6.991 -6.052 7.451 315 HZ2 LYS 42 2HZ LYS 42 -7.238 -6.632 5.945 316 HZ3 LYS 42 3HZ LYS 42 -6.060 -5.534 6.214 317 H ILE 43 H ILE 43 -6.669 1.452 7.360 318 HA ILE 43 HA ILE 43 -5.114 2.021 9.778 319 HB ILE 43 HB ILE 43 -3.774 3.421 8.531 320 HG12 ILE 43 1HG1 ILE 43 -5.808 3.461 6.284 321 HG13 ILE 43 2HG1 ILE 43 -5.673 4.700 7.515 322 HG21 ILE 43 1HG2 ILE 43 -4.431 1.488 6.329 323 HG22 ILE 43 2HG2 ILE 43 -2.849 2.063 6.906 324 HG23 ILE 43 3HG2 ILE 43 -3.782 0.899 7.877 325 HD11 ILE 43 1HD1 ILE 43 -4.328 5.605 5.833 326 HD12 ILE 43 2HD1 ILE 43 -3.110 4.730 6.791 327 HD13 ILE 43 3HD1 ILE 43 -3.750 4.010 5.294 328 H GLN 44 H GLN 44 -8.064 2.690 8.082 329 HA GLN 44 HA GLN 44 -9.786 3.882 8.720 330 HB2 GLN 44 1HB GLN 44 -8.135 5.228 10.893 331 HB3 GLN 44 2HB GLN 44 -9.881 5.100 10.809 332 HG2 GLN 44 1HG GLN 44 -9.554 2.531 10.869 333 HG3 GLN 44 2HG GLN 44 -7.883 2.850 11.291 334 HE21 GLN 44 1HE2 GLN 44 -7.531 2.634 13.354 335 HE22 GLN 44 2HE2 GLN 44 -8.562 3.119 14.658 336 H TYR 45 H TYR 45 -8.585 4.674 6.509 337 HA TYR 45 HA TYR 45 -8.476 7.597 6.768 338 HB2 TYR 45 1HB TYR 45 -6.437 5.648 6.001 339 HB3 TYR 45 2HB TYR 45 -6.877 6.545 4.561 340 HD1 TYR 45 1HD TYR 45 -5.368 6.775 7.913 341 HD2 TYR 45 2HD TYR 45 -6.354 8.916 4.342 342 HE1 TYR 45 1HE TYR 45 -3.852 8.686 8.632 343 HE2 TYR 45 2HE TYR 45 -4.835 10.820 5.073 344 HH TYR 45 HH TYR 45 -3.786 11.210 8.143 345 H ALA 46 H ALA 46 -8.034 8.021 3.944 346 HA ALA 46 HA ALA 46 -10.597 7.009 2.917 347 HB1 ALA 46 1HB ALA 46 -9.407 9.692 3.102 348 HB2 ALA 46 2HB ALA 46 -9.956 9.285 1.458 349 HB3 ALA 46 3HB ALA 46 -11.098 9.210 2.822 350 H GLU 47 H GLU 47 -10.084 5.284 1.627 351 HA GLU 47 HA GLU 47 -7.731 4.759 0.465 352 HB2 GLU 47 1HB GLU 47 -9.079 3.425 -1.234 353 HB3 GLU 47 2HB GLU 47 -9.468 3.106 0.444 354 HG2 GLU 47 1HG GLU 47 -11.426 4.622 0.313 355 HG3 GLU 47 2HG GLU 47 -11.015 5.047 -1.336 356 H GLU 48 H GLU 48 -10.378 6.835 -0.833 357 HA GLU 48 HA GLU 48 -9.285 7.207 -3.339 358 HB2 GLU 48 1HB GLU 48 -10.707 9.325 -3.333 359 HB3 GLU 48 2HB GLU 48 -11.564 7.842 -2.962 360 HG2 GLU 48 1HG GLU 48 -11.717 8.349 -0.646 361 HG3 GLU 48 2HG GLU 48 -10.391 9.493 -0.706 362 H ASP 49 H ASP 49 -8.523 8.640 -0.182 363 HA ASP 49 HA ASP 49 -6.967 10.716 -1.393 364 HB2 ASP 49 1HB ASP 49 -7.455 9.833 1.482 365 HB3 ASP 49 2HB ASP 49 -6.325 11.113 1.089 366 H LEU 50 H LEU 50 -6.614 7.414 -0.861 367 HA LEU 50 HA LEU 50 -3.750 7.644 -0.260 368 HB2 LEU 50 1HB LEU 50 -5.704 5.376 0.124 369 HB3 LEU 50 2HB LEU 50 -3.968 5.197 0.285 370 HG LEU 50 HG LEU 50 -5.749 6.979 1.970 371 HD11 LEU 50 1HD1 LEU 50 -5.016 5.422 3.804 372 HD12 LEU 50 2HD1 LEU 50 -6.097 4.707 2.584 373 HD13 LEU 50 3HD1 LEU 50 -4.352 4.357 2.542 374 HD21 LEU 50 1HD2 LEU 50 -3.621 8.070 1.705 375 HD22 LEU 50 2HD2 LEU 50 -3.707 7.363 3.336 376 HD23 LEU 50 3HD2 LEU 50 -2.750 6.560 2.068 377 H ALA 51 H ALA 51 -2.567 5.565 -1.335 378 HA ALA 51 HA ALA 51 -3.553 4.776 -3.862 379 HB1 ALA 51 1HB ALA 51 -1.428 6.957 -3.800 380 HB2 ALA 51 2HB ALA 51 -1.874 6.008 -5.239 381 HB3 ALA 51 3HB ALA 51 -3.068 7.089 -4.481 382 H LEU 52 H LEU 52 -2.266 3.090 -4.731 383 HA LEU 52 HA LEU 52 -0.399 2.010 -2.818 384 HB2 LEU 52 1HB LEU 52 -1.509 0.963 -5.424 385 HB3 LEU 52 2HB LEU 52 -0.392 0.081 -4.401 386 HG LEU 52 HG LEU 52 -2.359 -0.836 -3.708 387 HD11 LEU 52 1HD1 LEU 52 -1.296 0.127 -1.736 388 HD12 LEU 52 2HD1 LEU 52 -2.216 1.635 -1.957 389 HD13 LEU 52 3HD1 LEU 52 -3.068 0.122 -1.566 390 HD21 LEU 52 1HD2 LEU 52 -3.598 0.933 -5.231 391 HD22 LEU 52 2HD2 LEU 52 -4.471 -0.009 -3.998 392 HD23 LEU 52 3HD2 LEU 52 -3.987 1.670 -3.658 393 H VAL 53 H VAL 53 1.736 2.436 -2.834 394 HA VAL 53 HA VAL 53 2.863 3.408 -5.363 395 HB VAL 53 HB VAL 53 3.651 3.853 -2.480 396 HG11 VAL 53 1HG1 VAL 53 5.064 5.451 -4.484 397 HG12 VAL 53 2HG1 VAL 53 5.694 4.553 -3.082 398 HG13 VAL 53 3HG1 VAL 53 5.408 3.710 -4.623 399 HG21 VAL 53 1HG2 VAL 53 2.261 5.593 -2.626 400 HG22 VAL 53 2HG2 VAL 53 3.343 6.289 -3.856 401 HG23 VAL 53 3HG2 VAL 53 1.963 5.279 -4.353 402 H ALA 54 H ALA 54 3.843 1.796 -6.476 403 HA ALA 54 HA ALA 54 4.960 -0.432 -4.993 404 HB1 ALA 54 1HB ALA 54 5.417 -1.129 -7.499 405 HB2 ALA 54 2HB ALA 54 3.765 -1.192 -6.840 406 HB3 ALA 54 3HB ALA 54 4.264 0.178 -7.860 407 H ILE 55 H ILE 55 7.172 -1.008 -4.997 408 HA ILE 55 HA ILE 55 8.936 1.141 -5.948 409 HB ILE 55 HB ILE 55 9.602 -0.708 -3.682 410 HG12 ILE 55 1HG1 ILE 55 7.414 0.319 -3.159 411 HG13 ILE 55 2HG1 ILE 55 8.693 0.841 -2.080 412 HG21 ILE 55 1HG2 ILE 55 11.477 0.483 -4.494 413 HG22 ILE 55 2HG2 ILE 55 10.561 2.005 -4.607 414 HG23 ILE 55 3HG2 ILE 55 10.960 1.323 -3.012 415 HD11 ILE 55 1HD1 ILE 55 7.589 2.860 -2.623 416 HD12 ILE 55 2HD1 ILE 55 8.981 2.857 -3.733 417 HD13 ILE 55 3HD1 ILE 55 7.368 2.390 -4.325 418 H THR 56 H THR 56 10.893 0.538 -6.989 419 HA THR 56 HA THR 56 10.989 -2.307 -7.754 420 HB THR 56 HB THR 56 10.135 -0.809 -9.582 421 HG1 THR 56 1HG THR 56 11.598 -1.830 -10.995 422 HG21 THR 56 1HG2 THR 56 11.597 0.858 -10.585 423 HG22 THR 56 2HG2 THR 56 11.500 1.251 -8.851 424 HG23 THR 56 3HG2 THR 56 12.935 0.419 -9.496 425 H PHE 57 H PHE 57 13.337 -2.591 -8.940 426 HA PHE 57 HA PHE 57 15.136 -2.819 -6.951 427 HB2 PHE 57 1HB PHE 57 15.031 -3.388 -9.602 428 HB3 PHE 57 2HB PHE 57 16.007 -1.939 -9.736 429 HD1 PHE 57 2HD PHE 57 16.106 -4.559 -7.094 430 HD2 PHE 57 1HD PHE 57 18.105 -2.733 -10.362 431 HE1 PHE 57 2HE PHE 57 18.165 -5.900 -6.583 432 HE2 PHE 57 1HE PHE 57 20.164 -4.074 -9.851 433 HZ PHE 57 HZ PHE 57 20.170 -5.641 -7.968 434 H SER 58 H SER 58 17.342 -1.680 -6.727 435 HA SER 58 HA SER 58 18.544 0.079 -6.294 436 HB2 SER 58 1HB SER 58 17.009 0.957 -8.604 437 HB3 SER 58 2HB SER 58 17.264 2.313 -7.524 438 HG SER 58 HG SER 58 19.505 0.633 -8.036 439 H GLY 59 H GLY 59 15.275 1.639 -6.676 440 HA2 GLY 59 1HA GLY 59 14.206 1.642 -4.265 441 HA3 GLY 59 2HA GLY 59 15.531 2.753 -3.987 442 H GLU 60 H GLU 60 12.867 2.121 -6.379 443 HA GLU 60 HA GLU 60 12.491 5.011 -6.434 444 HB2 GLU 60 1HB GLU 60 12.737 3.060 -8.710 445 HB3 GLU 60 2HB GLU 60 11.603 4.383 -8.897 446 HG2 GLU 60 1HG GLU 60 13.461 5.995 -8.274 447 HG3 GLU 60 2HG GLU 60 14.575 4.643 -8.237 448 H LYS 61 H LYS 61 10.453 5.635 -5.841 449 HA LYS 61 HA LYS 61 8.477 3.531 -5.523 450 HB2 LYS 61 1HB LYS 61 8.071 6.389 -4.694 451 HB3 LYS 61 2HB LYS 61 7.428 4.922 -3.984 452 HG2 LYS 61 1HG LYS 61 10.105 4.450 -3.656 453 HG3 LYS 61 2HG LYS 61 10.108 6.202 -3.600 454 HD2 LYS 61 1HD LYS 61 8.684 6.278 -1.696 455 HD3 LYS 61 2HD LYS 61 8.084 4.652 -1.957 456 HE2 LYS 61 1HE LYS 61 10.894 4.356 -1.655 457 HE3 LYS 61 2HE LYS 61 10.430 5.531 -0.440 458 HZ1 LYS 61 1HZ LYS 61 9.779 3.782 0.716 459 HZ2 LYS 61 2HZ LYS 61 8.501 3.650 -0.292 460 HZ3 LYS 61 3HZ LYS 61 9.846 2.762 -0.558 461 H HIS 62 H HIS 62 6.347 3.646 -6.431 462 HA HIS 62 HA HIS 62 5.882 5.699 -8.398 463 HB2 HIS 62 1HB HIS 62 6.833 3.042 -9.116 464 HB3 HIS 62 2HB HIS 62 5.261 3.368 -9.819 465 HD1 HIS 62 1HD HIS 62 8.641 5.174 -9.529 466 HD2 HIS 62 2HD HIS 62 5.423 4.722 -12.181 467 HE1 HIS 62 1HE HIS 62 9.271 6.457 -11.643 468 H GLU 63 H GLU 63 3.763 6.283 -8.307 469 HA GLU 63 HA GLU 63 2.059 4.607 -6.707 470 HB2 GLU 63 1HB GLU 63 2.279 7.151 -6.441 471 HB3 GLU 63 2HB GLU 63 1.395 7.308 -7.947 472 HG2 GLU 63 1HG GLU 63 -0.099 5.457 -6.380 473 HG3 GLU 63 2HG GLU 63 0.377 6.727 -5.271 474 H LEU 64 H LEU 64 0.793 3.064 -7.638 475 HA LEU 64 HA LEU 64 0.410 3.064 -10.467 476 HB2 LEU 64 1HB LEU 64 -0.629 1.274 -8.267 477 HB3 LEU 64 2HB LEU 64 -0.885 0.995 -9.978 478 HG LEU 64 HG LEU 64 0.893 -0.404 -9.463 479 HD11 LEU 64 1HD1 LEU 64 1.303 1.234 -11.391 480 HD12 LEU 64 2HD1 LEU 64 2.459 2.034 -10.299 481 HD13 LEU 64 3HD1 LEU 64 2.700 0.331 -10.758 482 HD21 LEU 64 1HD2 LEU 64 1.241 1.144 -7.231 483 HD22 LEU 64 2HD2 LEU 64 2.294 -0.201 -7.730 484 HD23 LEU 64 3HD2 LEU 64 2.731 1.473 -8.147 485 H GLN 65 H GLN 65 -2.441 1.846 -9.261 486 HA GLN 65 HA GLN 65 -3.822 4.315 -8.971 487 HB2 GLN 65 1HB GLN 65 -4.065 2.690 -11.523 488 HB3 GLN 65 2HB GLN 65 -5.397 3.681 -10.961 489 HG2 GLN 65 1HG GLN 65 -3.359 5.493 -10.732 490 HG3 GLN 65 2HG GLN 65 -2.730 4.515 -12.044 491 HE21 GLN 65 1HE2 GLN 65 -5.320 6.584 -10.953 492 HE22 GLN 65 2HE2 GLN 65 -6.025 6.937 -12.495 493 HA PRO 66 HA PRO 66 -6.700 1.670 -7.073 494 HB2 PRO 66 1HB PRO 66 -9.161 2.719 -7.633 495 HB3 PRO 66 2HB PRO 66 -8.086 3.391 -6.424 496 HG2 PRO 66 1HG PRO 66 -8.706 4.416 -9.126 497 HG3 PRO 66 2HG PRO 66 -7.992 5.262 -7.768 498 HD2 PRO 66 1HD PRO 66 -6.621 4.268 -10.083 499 HD3 PRO 66 2HD PRO 66 -5.893 5.010 -8.672 500 H ASN 67 H ASN 67 -6.175 1.390 -10.182 501 HA ASN 67 HA ASN 67 -8.188 -0.710 -10.387 502 HB2 ASN 67 1HB ASN 67 -7.518 -0.226 -13.010 503 HB3 ASN 67 2HB ASN 67 -8.880 0.532 -12.208 504 HD21 ASN 67 1HD2 ASN 67 -5.900 0.968 -13.745 505 HD22 ASN 67 2HD2 ASN 67 -5.675 2.665 -13.481 506 H ASP 68 H ASP 68 -4.852 0.471 -10.949 507 HA ASP 68 HA ASP 68 -3.792 -1.510 -12.428 508 HB2 ASP 68 1HB ASP 68 -2.817 0.390 -10.371 509 HB3 ASP 68 2HB ASP 68 -1.809 -1.037 -10.515 510 H LEU 69 H LEU 69 -3.470 -3.725 -12.096 511 HA LEU 69 HA LEU 69 -4.524 -5.069 -9.959 512 HB2 LEU 69 1HB LEU 69 -2.489 -5.732 -12.050 513 HB3 LEU 69 2HB LEU 69 -2.792 -6.872 -10.754 514 HG LEU 69 HG LEU 69 -4.874 -5.807 -12.682 515 HD11 LEU 69 1HD1 LEU 69 -3.625 -7.233 -13.997 516 HD12 LEU 69 2HD1 LEU 69 -3.212 -8.305 -12.637 517 HD13 LEU 69 3HD1 LEU 69 -4.852 -8.337 -13.328 518 HD21 LEU 69 1HD2 LEU 69 -5.080 -7.819 -10.430 519 HD22 LEU 69 2HD2 LEU 69 -5.945 -6.273 -10.599 520 HD23 LEU 69 3HD2 LEU 69 -6.304 -7.619 -11.707 521 H VAL 70 H VAL 70 -3.565 -6.188 -8.128 522 HA VAL 70 HA VAL 70 -1.210 -4.740 -7.137 523 HB VAL 70 HB VAL 70 -2.410 -5.965 -4.977 524 HG11 VAL 70 1HG1 VAL 70 -1.448 -3.667 -5.157 525 HG12 VAL 70 2HG1 VAL 70 -2.947 -3.144 -5.962 526 HG13 VAL 70 3HG1 VAL 70 -2.996 -3.727 -4.281 527 HG21 VAL 70 1HG2 VAL 70 -4.370 -6.572 -6.330 528 HG22 VAL 70 2HG2 VAL 70 -4.790 -5.375 -5.081 529 HG23 VAL 70 3HG2 VAL 70 -4.598 -4.863 -6.775 530 H ILE 71 H ILE 71 -2.417 -7.734 -8.327 531 HA ILE 71 HA ILE 71 0.078 -8.997 -7.608 532 HB ILE 71 HB ILE 71 -0.924 -9.786 -5.728 533 HG12 ILE 71 1HG1 ILE 71 -2.123 -11.891 -7.501 534 HG13 ILE 71 2HG1 ILE 71 -0.391 -11.625 -7.543 535 HG21 ILE 71 1HG2 ILE 71 -3.032 -8.755 -5.789 536 HG22 ILE 71 2HG2 ILE 71 -3.535 -9.662 -7.235 537 HG23 ILE 71 3HG2 ILE 71 -3.375 -10.498 -5.672 538 HD11 ILE 71 1HD1 ILE 71 -1.527 -11.739 -4.798 539 HD12 ILE 71 2HD1 ILE 71 -1.670 -13.252 -5.726 540 HD13 ILE 71 3HD1 ILE 71 -0.070 -12.518 -5.460 541 H SER 72 H SER 72 0.777 -9.424 -9.642 542 HA SER 72 HA SER 72 -0.435 -11.386 -11.130 543 HB2 SER 72 1HB SER 72 -1.296 -10.138 -13.080 544 HB3 SER 72 2HB SER 72 -2.190 -9.725 -11.631 545 HG SER 72 HG SER 72 -0.480 -7.881 -11.500 546 H LYS 73 H LYS 73 0.561 -11.274 -13.569 547 HA LYS 73 HA LYS 73 2.405 -11.326 -14.781 548 HB2 LYS 73 1HB LYS 73 2.010 -8.729 -14.295 549 HB3 LYS 73 2HB LYS 73 3.558 -8.890 -13.490 550 HG2 LYS 73 1HG LYS 73 4.579 -8.779 -15.509 551 HG3 LYS 73 2HG LYS 73 3.844 -10.312 -15.935 552 HD2 LYS 73 1HD LYS 73 1.715 -8.851 -16.508 553 HD3 LYS 73 2HD LYS 73 2.843 -7.511 -16.533 554 HE2 LYS 73 1HE LYS 73 3.847 -9.853 -18.033 555 HE3 LYS 73 2HE LYS 73 2.322 -9.261 -18.661 556 HZ1 LYS 73 1HZ LYS 73 3.808 -7.936 -19.720 557 HZ2 LYS 73 2HZ LYS 73 3.502 -6.990 -18.424 558 HZ3 LYS 73 3HZ LYS 73 4.870 -7.881 -18.480 559 H SER 74 H SER 74 5.090 -10.908 -14.407 560 HA SER 74 HA SER 74 5.986 -11.623 -11.872 561 HB2 SER 74 1HB SER 74 5.162 -13.842 -13.639 562 HB3 SER 74 2HB SER 74 6.823 -13.988 -13.101 563 HG SER 74 HG SER 74 4.416 -13.919 -11.538 564 H LEU 75 H LEU 75 6.723 -9.634 -13.646 565 HA LEU 75 HA LEU 75 9.274 -10.634 -14.709 566 HB2 LEU 75 1HB LEU 75 7.190 -8.904 -15.872 567 HB3 LEU 75 2HB LEU 75 8.829 -8.313 -16.060 568 HG LEU 75 HG LEU 75 8.122 -9.609 -17.998 569 HD11 LEU 75 1HD1 LEU 75 10.096 -10.765 -18.315 570 HD12 LEU 75 2HD1 LEU 75 10.527 -9.653 -16.994 571 HD13 LEU 75 3HD1 LEU 75 10.151 -11.356 -16.637 572 HD21 LEU 75 1HD2 LEU 75 6.877 -11.435 -17.841 573 HD22 LEU 75 2HD2 LEU 75 8.172 -12.276 -16.954 574 HD23 LEU 75 3HD2 LEU 75 6.957 -11.325 -16.066 575 H GLU 76 H GLU 76 8.479 -9.692 -11.946 576 HA GLU 76 HA GLU 76 10.345 -7.450 -11.876 577 HB2 GLU 76 1HB GLU 76 7.613 -7.638 -10.849 578 HB3 GLU 76 2HB GLU 76 8.737 -7.286 -9.552 579 HG2 GLU 76 1HG GLU 76 9.732 -5.480 -11.166 580 HG3 GLU 76 2HG GLU 76 8.265 -5.696 -12.100 581 H ALA 77 H ALA 77 8.725 -9.789 -9.598 582 HA ALA 77 HA ALA 77 9.551 -11.169 -8.078 583 HB1 ALA 77 1HB ALA 77 10.948 -12.461 -9.307 584 HB2 ALA 77 2HB ALA 77 11.659 -11.057 -10.140 585 HB3 ALA 77 3HB ALA 77 12.253 -11.532 -8.530 586 H SER 78 H SER 78 10.415 -11.020 -5.970 587 HA SER 78 HA SER 78 10.926 -9.870 -4.184 588 HB2 SER 78 1HB SER 78 13.250 -9.143 -4.034 589 HB3 SER 78 2HB SER 78 13.171 -10.602 -5.001 590 HG SER 78 HG SER 78 14.042 -8.072 -5.709 591 H GLY 79 H GLY 79 9.275 -8.275 -4.060 592 HA2 GLY 79 1HA GLY 79 10.184 -5.558 -4.612 593 HA3 GLY 79 2HA GLY 79 8.748 -6.092 -5.462 594 H ARG 80 H ARG 80 7.769 -4.240 -4.164 595 HA ARG 80 HA ARG 80 6.259 -5.306 -2.117 596 HB2 ARG 80 1HB ARG 80 7.104 -3.887 -0.197 597 HB3 ARG 80 2HB ARG 80 8.232 -5.137 -0.685 598 HG2 ARG 80 1HG ARG 80 8.487 -2.454 -2.028 599 HG3 ARG 80 2HG ARG 80 8.985 -2.560 -0.351 600 HD2 ARG 80 1HD ARG 80 10.043 -4.225 -2.682 601 HD3 ARG 80 2HD ARG 80 10.927 -3.025 -1.760 602 HE ARG 80 HE ARG 80 9.999 -4.930 0.112 603 HH11 ARG 80 2HH2 ARG 80 12.151 -4.857 -2.672 604 HH12 ARG 80 1HH2 ARG 80 13.150 -6.149 -2.094 605 HH21 ARG 80 2HH1 ARG 80 11.317 -6.634 0.874 606 HH22 ARG 80 1HH1 ARG 80 12.672 -7.166 -0.064 607 H ILE 81 H ILE 81 4.478 -3.898 -1.659 608 HA ILE 81 HA ILE 81 4.583 -1.359 -3.129 609 HB ILE 81 HB ILE 81 2.316 -3.268 -2.582 610 HG12 ILE 81 1HG1 ILE 81 2.200 -2.928 -5.188 611 HG13 ILE 81 2HG1 ILE 81 3.872 -2.435 -5.012 612 HG21 ILE 81 1HG2 ILE 81 0.847 -1.665 -3.722 613 HG22 ILE 81 2HG2 ILE 81 1.499 -1.007 -2.202 614 HG23 ILE 81 3HG2 ILE 81 2.175 -0.480 -3.763 615 HD11 ILE 81 1HD1 ILE 81 3.780 -4.730 -3.441 616 HD12 ILE 81 2HD1 ILE 81 2.675 -5.125 -4.779 617 HD13 ILE 81 3HD1 ILE 81 4.357 -4.657 -5.123 618 H TYR 82 H TYR 82 3.305 0.448 -2.170 619 HA TYR 82 HA TYR 82 2.934 0.180 0.716 620 HB2 TYR 82 1HB TYR 82 4.579 2.255 -0.861 621 HB3 TYR 82 2HB TYR 82 4.180 2.450 0.834 622 HD1 TYR 82 1HD TYR 82 6.223 0.572 -1.586 623 HD2 TYR 82 2HD TYR 82 5.305 1.136 2.554 624 HE1 TYR 82 1HE TYR 82 8.312 -0.724 -0.939 625 HE2 TYR 82 2HE TYR 82 7.397 -0.162 3.188 626 HH TYR 82 HH TYR 82 8.835 -1.841 2.212 627 H VAL 83 H VAL 83 2.041 2.486 1.533 628 HA VAL 83 HA VAL 83 0.209 3.518 -0.503 629 HB VAL 83 HB VAL 83 -1.110 1.929 0.633 630 HG11 VAL 83 1HG1 VAL 83 -1.224 2.489 3.326 631 HG12 VAL 83 2HG1 VAL 83 -0.292 1.165 2.584 632 HG13 VAL 83 3HG1 VAL 83 0.505 2.711 2.965 633 HG21 VAL 83 1HG2 VAL 83 -1.851 4.486 0.487 634 HG22 VAL 83 2HG2 VAL 83 -2.882 3.246 1.241 635 HG23 VAL 83 3HG2 VAL 83 -1.887 4.315 2.259 636 H TYR 84 H TYR 84 0.186 5.717 -0.562 637 HA TYR 84 HA TYR 84 1.384 7.083 1.755 638 HB2 TYR 84 1HB TYR 84 1.378 7.496 -1.289 639 HB3 TYR 84 2HB TYR 84 1.820 8.812 -0.219 640 HD1 TYR 84 2HD TYR 84 2.664 5.147 -0.329 641 HD2 TYR 84 1HD TYR 84 4.105 9.174 -0.214 642 HE1 TYR 84 2HE TYR 84 5.059 4.296 -0.263 643 HE2 TYR 84 1HE TYR 84 6.495 8.309 -0.148 644 HH TYR 84 HH TYR 84 7.386 5.550 0.765 645 H ARG 85 H ARG 85 0.687 9.508 1.810 646 HA ARG 85 HA ARG 85 -2.193 9.457 1.602 647 HB2 ARG 85 1HB ARG 85 -0.590 10.248 3.664 648 HB3 ARG 85 2HB ARG 85 -0.749 11.788 2.842 649 HG2 ARG 85 1HG ARG 85 -3.367 10.953 2.807 650 HG3 ARG 85 2HG ARG 85 -2.819 10.182 4.283 651 HD2 ARG 85 1HD ARG 85 -2.634 13.159 3.618 652 HD3 ARG 85 2HD ARG 85 -3.689 12.423 4.808 653 HE ARG 85 HE ARG 85 -1.787 11.994 6.226 654 HH11 ARG 85 2HH2 ARG 85 -0.930 13.669 3.253 655 HH12 ARG 85 1HH2 ARG 85 0.616 14.186 3.839 656 HH21 ARG 85 2HH1 ARG 85 0.252 12.675 7.000 657 HH22 ARG 85 1HH1 ARG 85 1.293 13.616 5.985 658 H LYS 86 H LYS 86 -3.207 10.524 -0.072 659 HA LYS 86 HA LYS 86 -1.758 11.891 -2.020 660 HB2 LYS 86 1HB LYS 86 -4.710 11.695 -1.396 661 HB3 LYS 86 2HB LYS 86 -4.102 12.601 -2.767 662 HG2 LYS 86 1HG LYS 86 -2.812 9.987 -2.673 663 HG3 LYS 86 2HG LYS 86 -4.552 9.787 -2.606 664 HD2 LYS 86 1HD LYS 86 -4.298 9.896 -4.907 665 HD3 LYS 86 2HD LYS 86 -4.505 11.605 -4.580 666 HE2 LYS 86 1HE LYS 86 -2.233 12.092 -4.901 667 HE3 LYS 86 2HE LYS 86 -1.708 10.488 -4.429 668 HZ1 LYS 86 1HZ LYS 86 -2.064 11.386 -6.965 669 HZ2 LYS 86 2HZ LYS 86 -1.821 9.834 -6.518 670 HZ3 LYS 86 3HZ LYS 86 -3.340 10.394 -6.727 671 H ASP 87 H ASP 87 -2.179 14.221 -2.706 672 HA ASP 87 HA ASP 87 -2.798 15.948 -0.498 673 HB2 ASP 87 1HB ASP 87 -0.085 15.324 -1.226 674 HB3 ASP 87 2HB ASP 87 -0.391 16.967 -1.754 675 H LEU 88 H LEU 88 -1.815 18.370 -1.700 676 HA LEU 88 HA LEU 88 -3.427 18.407 -4.145 677 HB2 LEU 88 1HB LEU 88 -2.979 21.019 -3.449 678 HB3 LEU 88 2HB LEU 88 -4.420 20.082 -3.109 679 HG LEU 88 HG LEU 88 -2.065 20.390 -1.226 680 HD11 LEU 88 1HD1 LEU 88 -2.904 22.404 -0.787 681 HD12 LEU 88 2HD1 LEU 88 -4.366 22.096 -1.754 682 HD13 LEU 88 3HD1 LEU 88 -4.293 21.563 -0.058 683 HD21 LEU 88 1HD2 LEU 88 -4.413 19.571 0.128 684 HD22 LEU 88 2HD2 LEU 88 -4.219 18.500 -1.280 685 HD23 LEU 88 3HD2 LEU 88 -2.895 18.670 -0.103 686 H ALA 89 H ALA 89 -1.269 17.235 -4.911 687 HA ALA 89 HA ALA 89 0.015 19.055 -6.601 688 HB1 ALA 89 1HB ALA 89 2.165 18.044 -4.883 689 HB2 ALA 89 2HB ALA 89 1.880 19.688 -5.502 690 HB3 ALA 89 3HB ALA 89 1.064 19.142 -4.017 691 H ASP 90 H ASP 90 2.531 17.519 -6.774 692 HA ASP 90 HA ASP 90 1.341 15.065 -7.791 693 HB2 ASP 90 1HB ASP 90 3.668 16.795 -8.645 694 HB3 ASP 90 2HB ASP 90 3.723 15.086 -9.028 695 H THR 91 H THR 91 2.261 15.663 -4.963 696 HA THR 91 HA THR 91 4.477 13.725 -4.808 697 HB THR 91 HB THR 91 3.981 15.628 -2.552 698 HG1 THR 91 1HG THR 91 5.040 16.323 -5.202 699 HG21 THR 91 1HG2 THR 91 6.128 14.910 -2.196 700 HG22 THR 91 2HG2 THR 91 6.208 14.173 -3.814 701 HG23 THR 91 3HG2 THR 91 6.592 15.898 -3.602 702 H LEU 92 H LEU 92 4.506 12.400 -2.796 703 HA LEU 92 HA LEU 92 1.761 11.916 -1.873 704 HB2 LEU 92 1HB LEU 92 3.699 10.093 -3.151 705 HB3 LEU 92 2HB LEU 92 2.907 9.462 -1.721 706 HG LEU 92 HG LEU 92 1.641 10.364 -4.311 707 HD11 LEU 92 1HD1 LEU 92 2.294 7.804 -3.060 708 HD12 LEU 92 2HD1 LEU 92 0.593 7.916 -3.574 709 HD13 LEU 92 3HD1 LEU 92 1.898 8.193 -4.752 710 HD21 LEU 92 1HD2 LEU 92 0.405 10.121 -1.595 711 HD22 LEU 92 2HD2 LEU 92 0.080 11.282 -2.905 712 HD23 LEU 92 3HD2 LEU 92 -0.528 9.614 -3.023 713 H ASN 93 H ASN 93 5.294 11.406 -1.235 714 HA ASN 93 HA ASN 93 6.457 11.550 0.591 715 HB2 ASN 93 1HB ASN 93 4.112 12.672 2.173 716 HB3 ASN 93 2HB ASN 93 5.816 13.036 2.360 717 HD21 ASN 93 1HD2 ASN 93 3.004 14.276 1.387 718 HD22 ASN 93 2HD2 ASN 93 3.502 15.419 0.184 719 HA PRO 94 HA PRO 94 5.055 7.934 2.676 720 HB2 PRO 94 1HB PRO 94 7.254 7.446 4.225 721 HB3 PRO 94 2HB PRO 94 7.136 6.957 2.546 722 HG2 PRO 94 1HG PRO 94 8.675 9.190 3.722 723 HG3 PRO 94 2HG PRO 94 8.869 8.429 2.156 724 HD2 PRO 94 1HD PRO 94 7.633 10.962 2.693 725 HD3 PRO 94 2HD PRO 94 7.724 10.147 1.144 726 H PHE 95 H PHE 95 5.116 6.958 5.074 727 HA PHE 95 HA PHE 95 3.968 9.158 6.620 728 HB2 PHE 95 1HB PHE 95 3.606 6.182 6.283 729 HB3 PHE 95 2HB PHE 95 3.391 6.768 7.921 730 HD1 PHE 95 1HD PHE 95 1.844 8.963 8.055 731 HD2 PHE 95 2HD PHE 95 1.732 6.070 4.953 732 HE1 PHE 95 1HE PHE 95 -0.506 9.648 7.501 733 HE2 PHE 95 2HE PHE 95 -0.618 6.754 4.399 734 HZ PHE 95 HZ PHE 95 -1.709 8.535 5.680 735 H ALA 96 H ALA 96 4.131 8.523 9.170 736 HA ALA 96 HA ALA 96 5.480 8.606 10.925 737 HB1 ALA 96 1HB ALA 96 6.308 6.549 11.339 738 HB2 ALA 96 2HB ALA 96 5.799 6.126 9.687 739 HB3 ALA 96 3HB ALA 96 7.468 6.663 9.994 740 H GLU 97 H GLU 97 7.950 8.839 11.641 741 HA GLU 97 HA GLU 97 9.838 9.915 11.502 742 HB2 GLU 97 1HB GLU 97 9.562 8.908 8.875 743 HB3 GLU 97 2HB GLU 97 9.994 10.592 8.659 744 HG2 GLU 97 1HG GLU 97 11.699 9.769 10.726 745 HG3 GLU 97 2HG GLU 97 11.625 8.355 9.693 746 H ASN 98 H ASN 98 7.680 11.328 8.927 747 HA ASN 98 HA ASN 98 8.466 13.940 9.520 748 HB2 ASN 98 1HB ASN 98 7.226 12.863 7.409 749 HB3 ASN 98 2HB ASN 98 5.768 13.274 8.292 750 HD21 ASN 98 1HD2 ASN 98 5.099 15.338 8.457 751 HD22 ASN 98 2HD2 ASN 98 5.860 16.697 7.700 752 H SER 99 H SER 99 7.006 15.666 10.464 753 HA SER 99 HA SER 99 6.087 15.063 12.919 754 HB2 SER 99 1HB SER 99 5.193 17.266 11.013 755 HB3 SER 99 2HB SER 99 4.727 17.224 12.702 756 HG SER 99 HG SER 99 7.502 16.955 12.109 757 H GLY 100 H GLY 100 4.074 14.491 13.868 758 HA2 GLY 100 1HA GLY 100 1.643 14.392 13.517 759 HA3 GLY 100 2HA GLY 100 1.971 13.694 11.943 760 HA PRO 101 HA PRO 101 1.513 10.091 14.541 761 HB2 PRO 101 1HB PRO 101 0.283 8.517 12.677 762 HB3 PRO 101 2HB PRO 101 -0.595 9.541 13.795 763 HG2 PRO 101 1HG PRO 101 -0.093 9.951 10.911 764 HG3 PRO 101 2HG PRO 101 -1.295 10.711 11.935 765 HD2 PRO 101 1HD PRO 101 1.155 11.878 11.007 766 HD3 PRO 101 2HD PRO 101 0.010 12.594 12.124 767 H SER 102 H SER 102 2.451 7.952 14.623 768 HA SER 102 HA SER 102 4.371 7.617 12.470 769 HB2 SER 102 1HB SER 102 6.103 6.961 14.186 770 HB3 SER 102 2HB SER 102 5.670 8.659 14.220 771 HG SER 102 HG SER 102 5.463 6.794 16.215 772 H SER 103 H SER 103 3.149 6.151 15.575 773 HA SER 103 HA SER 103 3.716 3.578 15.067 774 HB2 SER 103 1HB SER 103 1.930 3.001 16.627 775 HB3 SER 103 2HB SER 103 2.709 4.473 17.170 776 HG SER 103 HG SER 103 0.755 5.316 15.575 777 H GLY 104 H GLY 104 2.992 1.972 13.678 778 HA2 GLY 104 1HA GLY 104 0.683 2.665 11.964 779 HA3 GLY 104 2HA GLY 104 2.084 1.752 11.441 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -20.868 -5.184 -13.075 2 HA2 GLY 1 1HA GLY 1 -20.040 -5.390 -10.891 3 HA3 GLY 1 2HA GLY 1 -19.494 -6.837 -11.714 4 H SER 2 H SER 2 -17.435 -7.312 -11.080 5 HA SER 2 HA SER 2 -15.438 -5.323 -11.534 6 HB2 SER 2 1HB SER 2 -16.148 -6.287 -8.753 7 HB3 SER 2 2HB SER 2 -14.488 -5.865 -9.125 8 HG SER 2 HG SER 2 -16.668 -4.212 -8.682 9 H SER 3 H SER 3 -16.062 -8.473 -9.809 10 HA SER 3 HA SER 3 -14.769 -9.997 -11.694 11 HB2 SER 3 1HB SER 3 -12.818 -8.596 -10.508 12 HB3 SER 3 2HB SER 3 -12.974 -9.834 -9.277 13 HG SER 3 HG SER 3 -12.957 -11.102 -11.666 14 H GLY 4 H GLY 4 -14.332 -12.312 -10.775 15 HA2 GLY 4 1HA GLY 4 -15.241 -13.035 -8.213 16 HA3 GLY 4 2HA GLY 4 -16.578 -13.167 -9.339 17 H SER 5 H SER 5 -13.644 -14.614 -8.170 18 HA SER 5 HA SER 5 -13.980 -16.698 -10.177 19 HB2 SER 5 1HB SER 5 -11.426 -15.384 -9.209 20 HB3 SER 5 2HB SER 5 -11.394 -17.032 -9.803 21 HG SER 5 HG SER 5 -11.769 -14.616 -11.206 22 H SER 6 H SER 6 -12.790 -18.822 -9.342 23 HA SER 6 HA SER 6 -13.280 -18.974 -6.470 24 HB2 SER 6 1HB SER 6 -14.395 -20.525 -8.681 25 HB3 SER 6 2HB SER 6 -13.551 -21.579 -7.563 26 HG SER 6 HG SER 6 -15.271 -19.600 -6.444 27 H GLY 7 H GLY 7 -11.944 -20.635 -5.314 28 HA2 GLY 7 1HA GLY 7 -9.897 -21.406 -4.772 29 HA3 GLY 7 2HA GLY 7 -9.951 -22.182 -6.342 30 H GLU 8 H GLU 8 -8.889 -19.272 -4.548 31 HA GLU 8 HA GLU 8 -6.931 -18.875 -6.659 32 HB2 GLU 8 1HB GLU 8 -8.560 -16.675 -5.314 33 HB3 GLU 8 2HB GLU 8 -7.186 -16.386 -6.362 34 HG2 GLU 8 1HG GLU 8 -9.869 -17.618 -7.093 35 HG3 GLU 8 2HG GLU 8 -9.127 -16.178 -7.762 36 H GLU 9 H GLU 9 -7.861 -17.414 -3.452 37 HA GLU 9 HA GLU 9 -6.741 -17.092 -1.621 38 HB2 GLU 9 1HB GLU 9 -5.224 -19.542 -2.593 39 HB3 GLU 9 2HB GLU 9 -4.866 -18.786 -1.053 40 HG2 GLU 9 1HG GLU 9 -7.762 -19.201 -1.432 41 HG3 GLU 9 2HG GLU 9 -6.864 -20.703 -1.538 42 H ILE 10 H ILE 10 -5.663 -15.169 -1.525 43 HA ILE 10 HA ILE 10 -2.914 -15.039 -2.052 44 HB ILE 10 HB ILE 10 -3.855 -15.097 -4.396 45 HG12 ILE 10 1HG1 ILE 10 -2.427 -12.525 -4.237 46 HG13 ILE 10 2HG1 ILE 10 -1.673 -13.813 -3.318 47 HG21 ILE 10 1HG2 ILE 10 -5.551 -13.757 -4.899 48 HG22 ILE 10 2HG2 ILE 10 -5.411 -12.908 -3.341 49 HG23 ILE 10 3HG2 ILE 10 -4.447 -12.370 -4.737 50 HD11 ILE 10 1HD1 ILE 10 -2.620 -14.334 -6.151 51 HD12 ILE 10 2HD1 ILE 10 -1.054 -13.543 -5.852 52 HD13 ILE 10 3HD1 ILE 10 -1.360 -15.180 -5.222 53 H PHE 11 H PHE 11 -2.037 -12.892 -1.486 54 HA PHE 11 HA PHE 11 -4.026 -11.169 -0.210 55 HB2 PHE 11 1HB PHE 11 -1.872 -12.847 0.951 56 HB3 PHE 11 2HB PHE 11 -1.639 -11.160 1.363 57 HD1 PHE 11 2HD PHE 11 -3.837 -14.064 1.754 58 HD2 PHE 11 1HD PHE 11 -3.186 -10.010 2.826 59 HE1 PHE 11 2HE PHE 11 -5.530 -14.280 3.595 60 HE2 PHE 11 1HE PHE 11 -4.879 -10.226 4.667 61 HZ PHE 11 HZ PHE 11 -6.031 -12.358 5.029 62 H CYS 12 H CYS 12 -3.431 -8.938 -0.084 63 HA CYS 12 HA CYS 12 -1.158 -8.304 -1.814 64 HB2 CYS 12 1HB CYS 12 -3.224 -7.525 -2.773 65 HB3 CYS 12 2HB CYS 12 -3.721 -6.779 -1.267 66 HG CYS 12 HG CYS 12 -2.764 -5.181 -3.374 67 H HIS 13 H HIS 13 0.529 -8.202 -0.278 68 HA HIS 13 HA HIS 13 0.072 -6.868 2.216 69 HB2 HIS 13 1HB HIS 13 2.324 -8.363 0.932 70 HB3 HIS 13 2HB HIS 13 2.704 -7.263 2.242 71 HD1 HIS 13 1HD HIS 13 1.619 -10.675 1.602 72 HD2 HIS 13 2HD HIS 13 1.123 -7.898 4.707 73 HE1 HIS 13 1HE HIS 13 0.897 -12.014 3.650 74 H VAL 14 H VAL 14 -0.029 -4.685 2.335 75 HA VAL 14 HA VAL 14 1.646 -3.180 0.450 76 HB VAL 14 HB VAL 14 0.067 -1.446 0.550 77 HG11 VAL 14 1HG1 VAL 14 -1.401 -4.103 0.510 78 HG12 VAL 14 2HG1 VAL 14 -2.087 -2.559 -0.050 79 HG13 VAL 14 3HG1 VAL 14 -0.670 -3.254 -0.873 80 HG21 VAL 14 1HG2 VAL 14 -0.442 -1.174 2.824 81 HG22 VAL 14 2HG2 VAL 14 -1.987 -1.679 2.097 82 HG23 VAL 14 3HG2 VAL 14 -1.001 -2.855 2.998 83 H TYR 15 H TYR 15 3.307 -1.967 1.236 84 HA TYR 15 HA TYR 15 3.632 -1.953 4.134 85 HB2 TYR 15 1HB TYR 15 5.317 -1.458 1.619 86 HB3 TYR 15 2HB TYR 15 5.940 -0.986 3.188 87 HD1 TYR 15 1HD TYR 15 3.848 -3.997 2.792 88 HD2 TYR 15 2HD TYR 15 7.844 -2.491 3.058 89 HE1 TYR 15 1HE TYR 15 4.721 -6.357 3.158 90 HE2 TYR 15 2HE TYR 15 8.703 -4.856 3.423 91 HH TYR 15 HH TYR 15 6.448 -7.605 3.475 92 H ILE 16 H ILE 16 2.919 -0.212 5.254 93 HA ILE 16 HA ILE 16 2.185 2.181 3.980 94 HB ILE 16 HB ILE 16 2.729 1.723 6.913 95 HG12 ILE 16 1HG1 ILE 16 -0.045 1.462 5.997 96 HG13 ILE 16 2HG1 ILE 16 1.006 0.219 5.349 97 HG21 ILE 16 1HG2 ILE 16 1.433 3.583 7.354 98 HG22 ILE 16 2HG2 ILE 16 2.310 4.083 5.888 99 HG23 ILE 16 3HG2 ILE 16 0.622 3.531 5.770 100 HD11 ILE 16 1HD1 ILE 16 1.879 -0.149 7.731 101 HD12 ILE 16 2HD1 ILE 16 0.566 0.920 8.281 102 HD13 ILE 16 3HD1 ILE 16 0.182 -0.610 7.456 103 H THR 17 H THR 17 4.962 1.395 6.192 104 HA THR 17 HA THR 17 6.382 3.652 4.934 105 HB THR 17 HB THR 17 7.451 3.967 7.169 106 HG1 THR 17 1HG THR 17 7.046 1.562 7.606 107 HG21 THR 17 1HG2 THR 17 4.454 3.651 7.649 108 HG22 THR 17 2HG2 THR 17 5.565 4.824 8.395 109 HG23 THR 17 3HG2 THR 17 5.105 4.997 6.685 110 H GLU 18 H GLU 18 8.616 2.470 6.890 111 HA GLU 18 HA GLU 18 9.683 0.839 4.766 112 HB2 GLU 18 1HB GLU 18 10.931 2.759 6.012 113 HB3 GLU 18 2HB GLU 18 11.118 1.617 7.328 114 HG2 GLU 18 1HG GLU 18 12.966 0.849 6.252 115 HG3 GLU 18 2HG GLU 18 11.879 0.114 5.090 116 H HIS 19 H HIS 19 8.652 0.646 8.195 117 HA HIS 19 HA HIS 19 8.942 -2.260 7.972 118 HB2 HIS 19 1HB HIS 19 9.280 -0.745 10.562 119 HB3 HIS 19 2HB HIS 19 9.658 -2.423 10.227 120 HD1 HIS 19 1HD HIS 19 11.762 -2.829 8.540 121 HD2 HIS 19 2HD HIS 19 11.363 1.020 10.159 122 HE1 HIS 19 1HE HIS 19 14.017 -1.680 8.217 123 H SER 20 H SER 20 6.657 -0.669 7.195 124 HA SER 20 HA SER 20 4.801 -1.741 9.145 125 HB2 SER 20 1HB SER 20 4.296 0.989 7.927 126 HB3 SER 20 2HB SER 20 3.522 0.259 9.320 127 HG SER 20 HG SER 20 5.589 0.426 10.461 128 H TYR 21 H TYR 21 2.943 -2.648 8.189 129 HA TYR 21 HA TYR 21 2.214 -1.964 5.505 130 HB2 TYR 21 1HB TYR 21 2.833 -4.120 4.548 131 HB3 TYR 21 2HB TYR 21 4.248 -3.616 5.450 132 HD1 TYR 21 1HD TYR 21 4.844 -4.714 7.579 133 HD2 TYR 21 2HD TYR 21 1.486 -6.014 5.269 134 HE1 TYR 21 1HE TYR 21 4.770 -6.887 8.897 135 HE2 TYR 21 2HE TYR 21 1.423 -8.183 6.594 136 HH TYR 21 HH TYR 21 2.167 -8.876 8.944 137 H VAL 22 H VAL 22 0.378 -3.546 4.749 138 HA VAL 22 HA VAL 22 -1.030 -4.701 7.014 139 HB VAL 22 HB VAL 22 -1.864 -2.495 7.103 140 HG11 VAL 22 1HG1 VAL 22 -2.564 -2.528 4.162 141 HG12 VAL 22 2HG1 VAL 22 -2.513 -1.146 5.282 142 HG13 VAL 22 3HG1 VAL 22 -1.000 -1.920 4.755 143 HG21 VAL 22 1HG2 VAL 22 -3.594 -4.610 5.977 144 HG22 VAL 22 2HG2 VAL 22 -3.797 -3.612 7.437 145 HG23 VAL 22 3HG2 VAL 22 -4.243 -2.958 5.843 146 H SER 23 H SER 23 -1.751 -6.678 6.419 147 HA SER 23 HA SER 23 -1.530 -7.419 3.698 148 HB2 SER 23 1HB SER 23 -1.716 -9.594 4.467 149 HB3 SER 23 2HB SER 23 -1.215 -8.810 5.952 150 HG SER 23 HG SER 23 -3.181 -10.299 5.991 151 H VAL 24 H VAL 24 -3.265 -8.137 2.283 152 HA VAL 24 HA VAL 24 -5.964 -7.506 3.198 153 HB VAL 24 HB VAL 24 -4.527 -6.294 0.844 154 HG11 VAL 24 1HG1 VAL 24 -7.395 -6.996 1.117 155 HG12 VAL 24 2HG1 VAL 24 -7.053 -5.335 0.576 156 HG13 VAL 24 3HG1 VAL 24 -6.410 -6.719 -0.340 157 HG21 VAL 24 1HG2 VAL 24 -6.207 -4.451 2.184 158 HG22 VAL 24 2HG2 VAL 24 -5.355 -5.373 3.446 159 HG23 VAL 24 3HG2 VAL 24 -4.428 -4.519 2.189 160 H LYS 25 H LYS 25 -7.368 -9.102 2.642 161 HA LYS 25 HA LYS 25 -6.336 -11.176 0.888 162 HB2 LYS 25 1HB LYS 25 -7.300 -11.642 3.184 163 HB3 LYS 25 2HB LYS 25 -8.869 -11.191 2.547 164 HG2 LYS 25 1HG LYS 25 -8.360 -12.927 0.642 165 HG3 LYS 25 2HG LYS 25 -7.105 -13.521 1.711 166 HD2 LYS 25 1HD LYS 25 -9.479 -13.196 3.301 167 HD3 LYS 25 2HD LYS 25 -9.958 -14.015 1.828 168 HE2 LYS 25 1HE LYS 25 -7.618 -15.359 2.436 169 HE3 LYS 25 2HE LYS 25 -8.204 -14.971 4.041 170 HZ1 LYS 25 1HZ LYS 25 -10.039 -16.236 3.749 171 HZ2 LYS 25 2HZ LYS 25 -10.109 -16.031 2.131 172 HZ3 LYS 25 3HZ LYS 25 -9.024 -17.067 2.777 173 H ALA 26 H ALA 26 -6.537 -10.524 -1.231 174 HA ALA 26 HA ALA 26 -9.264 -9.778 -2.044 175 HB1 ALA 26 1HB ALA 26 -7.434 -8.842 -3.979 176 HB2 ALA 26 2HB ALA 26 -8.358 -7.868 -2.810 177 HB3 ALA 26 3HB ALA 26 -6.717 -8.424 -2.404 178 H LYS 27 H LYS 27 -9.306 -10.134 -4.664 179 HA LYS 27 HA LYS 27 -8.895 -12.966 -4.922 180 HB2 LYS 27 1HB LYS 27 -9.980 -11.033 -6.984 181 HB3 LYS 27 2HB LYS 27 -10.196 -12.771 -6.927 182 HG2 LYS 27 1HG LYS 27 -11.165 -10.903 -4.716 183 HG3 LYS 27 2HG LYS 27 -12.172 -11.383 -6.068 184 HD2 LYS 27 1HD LYS 27 -11.077 -13.810 -5.092 185 HD3 LYS 27 2HD LYS 27 -11.474 -12.892 -3.653 186 HE2 LYS 27 1HE LYS 27 -13.765 -12.422 -4.933 187 HE3 LYS 27 2HE LYS 27 -13.317 -13.840 -5.860 188 HZ1 LYS 27 1HZ LYS 27 -13.207 -13.933 -2.949 189 HZ2 LYS 27 2HZ LYS 27 -14.640 -14.116 -3.711 190 HZ3 LYS 27 3HZ LYS 27 -13.418 -15.158 -4.007 191 H VAL 28 H VAL 28 -8.002 -13.736 -7.183 192 HA VAL 28 HA VAL 28 -5.297 -12.872 -7.246 193 HB VAL 28 HB VAL 28 -6.162 -15.198 -7.598 194 HG11 VAL 28 1HG1 VAL 28 -6.576 -14.827 -10.477 195 HG12 VAL 28 2HG1 VAL 28 -7.515 -15.770 -9.294 196 HG13 VAL 28 3HG1 VAL 28 -7.815 -14.025 -9.482 197 HG21 VAL 28 1HG2 VAL 28 -4.577 -14.568 -10.041 198 HG22 VAL 28 2HG2 VAL 28 -3.895 -14.053 -8.479 199 HG23 VAL 28 3HG2 VAL 28 -4.285 -15.767 -8.759 200 H SER 29 H SER 29 -8.209 -11.686 -8.619 201 HA SER 29 HA SER 29 -6.611 -10.229 -10.575 202 HB2 SER 29 1HB SER 29 -8.239 -11.986 -11.535 203 HB3 SER 29 2HB SER 29 -9.540 -10.963 -10.958 204 HG SER 29 HG SER 29 -9.130 -9.476 -12.494 205 H SER 30 H SER 30 -7.358 -9.640 -7.723 206 HA SER 30 HA SER 30 -9.432 -7.694 -7.919 207 HB2 SER 30 1HB SER 30 -8.098 -9.146 -5.831 208 HB3 SER 30 2HB SER 30 -7.886 -7.441 -5.489 209 HG SER 30 HG SER 30 -10.407 -8.782 -5.989 210 H ILE 31 H ILE 31 -9.176 -5.497 -8.275 211 HA ILE 31 HA ILE 31 -6.620 -4.571 -9.080 212 HB ILE 31 HB ILE 31 -7.880 -2.367 -9.214 213 HG12 ILE 31 1HG1 ILE 31 -10.361 -4.037 -8.846 214 HG13 ILE 31 2HG1 ILE 31 -9.613 -3.233 -7.480 215 HG21 ILE 31 1HG2 ILE 31 -7.525 -4.213 -11.018 216 HG22 ILE 31 2HG2 ILE 31 -9.264 -4.513 -10.793 217 HG23 ILE 31 3HG2 ILE 31 -8.698 -2.906 -11.306 218 HD11 ILE 31 1HD1 ILE 31 -10.970 -2.037 -9.881 219 HD12 ILE 31 2HD1 ILE 31 -11.048 -1.546 -8.172 220 HD13 ILE 31 3HD1 ILE 31 -9.623 -1.130 -9.154 221 H ALA 32 H ALA 32 -5.635 -2.508 -8.155 222 HA ALA 32 HA ALA 32 -4.912 -2.957 -5.515 223 HB1 ALA 32 1HB ALA 32 -4.759 -0.199 -6.686 224 HB2 ALA 32 2HB ALA 32 -3.517 -1.146 -5.833 225 HB3 ALA 32 3HB ALA 32 -3.907 -1.515 -7.530 226 H GLN 33 H GLN 33 -7.428 -0.840 -6.982 227 HA GLN 33 HA GLN 33 -8.065 0.640 -4.801 228 HB2 GLN 33 1HB GLN 33 -9.160 1.256 -6.776 229 HB3 GLN 33 2HB GLN 33 -9.625 -0.389 -7.165 230 HG2 GLN 33 1HG GLN 33 -11.629 0.787 -6.467 231 HG3 GLN 33 2HG GLN 33 -11.224 -0.356 -5.202 232 HE21 GLN 33 1HE2 GLN 33 -11.198 2.997 -6.194 233 HE22 GLN 33 2HE2 GLN 33 -11.007 3.716 -4.631 234 H GLU 34 H GLU 34 -9.154 -2.692 -5.665 235 HA GLU 34 HA GLU 34 -11.006 -2.939 -3.631 236 HB2 GLU 34 1HB GLU 34 -9.358 -4.940 -5.209 237 HB3 GLU 34 2HB GLU 34 -10.462 -5.478 -3.958 238 HG2 GLU 34 1HG GLU 34 -11.204 -3.789 -6.393 239 HG3 GLU 34 2HG GLU 34 -11.576 -5.487 -6.170 240 H ILE 35 H ILE 35 -7.577 -2.665 -3.497 241 HA ILE 35 HA ILE 35 -7.434 -4.098 -0.958 242 HB ILE 35 HB ILE 35 -5.152 -2.821 -2.442 243 HG12 ILE 35 1HG1 ILE 35 -6.418 -4.287 -4.004 244 HG13 ILE 35 2HG1 ILE 35 -4.785 -4.835 -3.682 245 HG21 ILE 35 1HG2 ILE 35 -5.003 -5.333 -0.818 246 HG22 ILE 35 2HG2 ILE 35 -3.767 -4.088 -1.121 247 HG23 ILE 35 3HG2 ILE 35 -5.101 -3.761 0.011 248 HD11 ILE 35 1HD1 ILE 35 -6.726 -6.588 -3.608 249 HD12 ILE 35 2HD1 ILE 35 -5.506 -6.627 -2.312 250 HD13 ILE 35 3HD1 ILE 35 -7.094 -5.880 -2.016 251 H LEU 36 H LEU 36 -6.731 -0.864 -2.438 252 HA LEU 36 HA LEU 36 -5.965 0.428 -0.141 253 HB2 LEU 36 1HB LEU 36 -5.846 1.249 -2.491 254 HB3 LEU 36 2HB LEU 36 -7.565 1.582 -2.427 255 HG LEU 36 HG LEU 36 -7.063 3.105 -0.437 256 HD11 LEU 36 1HD1 LEU 36 -4.357 3.682 -1.275 257 HD12 LEU 36 2HD1 LEU 36 -5.001 3.345 0.350 258 HD13 LEU 36 3HD1 LEU 36 -4.501 2.001 -0.705 259 HD21 LEU 36 1HD2 LEU 36 -6.038 4.888 -2.062 260 HD22 LEU 36 2HD2 LEU 36 -6.312 3.629 -3.290 261 HD23 LEU 36 3HD2 LEU 36 -7.678 4.250 -2.333 262 H LYS 37 H LYS 37 -9.283 -0.151 -1.448 263 HA LYS 37 HA LYS 37 -10.633 1.335 0.473 264 HB2 LYS 37 1HB LYS 37 -12.595 0.024 -0.212 265 HB3 LYS 37 2HB LYS 37 -11.676 0.601 -1.587 266 HG2 LYS 37 1HG LYS 37 -11.424 -1.522 -2.332 267 HG3 LYS 37 2HG LYS 37 -10.577 -1.952 -0.860 268 HD2 LYS 37 1HD LYS 37 -12.815 -2.315 0.270 269 HD3 LYS 37 2HD LYS 37 -13.605 -1.993 -1.260 270 HE2 LYS 37 1HE LYS 37 -11.867 -3.892 -2.112 271 HE3 LYS 37 2HE LYS 37 -11.965 -4.377 -0.431 272 HZ1 LYS 37 1HZ LYS 37 -14.033 -4.379 -2.449 273 HZ2 LYS 37 2HZ LYS 37 -13.737 -5.460 -1.261 274 HZ3 LYS 37 3HZ LYS 37 -14.501 -4.058 -0.918 275 H VAL 38 H VAL 38 -9.040 -1.812 0.612 276 HA VAL 38 HA VAL 38 -10.389 -2.519 3.069 277 HB VAL 38 HB VAL 38 -8.068 -3.860 1.674 278 HG11 VAL 38 1HG1 VAL 38 -8.221 -4.775 3.825 279 HG12 VAL 38 2HG1 VAL 38 -9.999 -4.688 3.841 280 HG13 VAL 38 3HG1 VAL 38 -9.176 -5.895 2.824 281 HG21 VAL 38 1HG2 VAL 38 -10.932 -4.730 1.353 282 HG22 VAL 38 2HG2 VAL 38 -10.258 -3.456 0.309 283 HG23 VAL 38 3HG2 VAL 38 -9.519 -5.075 0.326 284 H VAL 39 H VAL 39 -7.080 -1.571 1.938 285 HA VAL 39 HA VAL 39 -5.862 -1.678 4.428 286 HB VAL 39 HB VAL 39 -5.306 0.087 2.035 287 HG11 VAL 39 1HG1 VAL 39 -4.085 0.012 4.645 288 HG12 VAL 39 2HG1 VAL 39 -2.920 -0.545 3.420 289 HG13 VAL 39 3HG1 VAL 39 -3.700 1.046 3.249 290 HG21 VAL 39 1HG2 VAL 39 -3.799 -1.616 1.286 291 HG22 VAL 39 2HG2 VAL 39 -4.010 -2.550 2.786 292 HG23 VAL 39 3HG2 VAL 39 -5.358 -2.402 1.633 293 H ALA 40 H ALA 40 -7.438 1.103 2.707 294 HA ALA 40 HA ALA 40 -7.008 3.111 4.420 295 HB1 ALA 40 1HB ALA 40 -9.541 3.671 3.845 296 HB2 ALA 40 2HB ALA 40 -8.293 3.672 2.575 297 HB3 ALA 40 3HB ALA 40 -9.371 2.267 2.764 298 H GLU 41 H GLU 41 -9.446 0.469 4.836 299 HA GLU 41 HA GLU 41 -10.389 1.523 7.262 300 HB2 GLU 41 1HB GLU 41 -10.590 -1.392 6.435 301 HB3 GLU 41 2HB GLU 41 -11.722 -0.460 7.395 302 HG2 GLU 41 1HG GLU 41 -11.425 0.924 4.898 303 HG3 GLU 41 2HG GLU 41 -11.621 -0.774 4.511 304 H LYS 42 H LYS 42 -7.886 -0.883 6.339 305 HA LYS 42 HA LYS 42 -7.431 -1.872 8.919 306 HB2 LYS 42 1HB LYS 42 -6.303 -2.136 6.263 307 HB3 LYS 42 2HB LYS 42 -5.026 -2.034 7.458 308 HG2 LYS 42 1HG LYS 42 -5.754 -4.385 7.127 309 HG3 LYS 42 2HG LYS 42 -6.051 -3.860 8.772 310 HD2 LYS 42 1HD LYS 42 -8.050 -4.997 8.088 311 HD3 LYS 42 2HD LYS 42 -8.446 -3.290 8.057 312 HE2 LYS 42 1HE LYS 42 -7.565 -3.541 5.501 313 HE3 LYS 42 2HE LYS 42 -8.075 -5.197 5.762 314 HZ1 LYS 42 1HZ LYS 42 -9.699 -3.200 5.081 315 HZ2 LYS 42 2HZ LYS 42 -10.196 -4.587 5.785 316 HZ3 LYS 42 3HZ LYS 42 -9.947 -3.254 6.694 317 H ILE 43 H ILE 43 -6.738 1.191 7.420 318 HA ILE 43 HA ILE 43 -4.969 1.820 9.680 319 HB ILE 43 HB ILE 43 -3.571 3.034 8.364 320 HG12 ILE 43 1HG1 ILE 43 -5.810 3.339 6.344 321 HG13 ILE 43 2HG1 ILE 43 -5.214 4.565 7.445 322 HG21 ILE 43 1HG2 ILE 43 -3.638 0.585 7.700 323 HG22 ILE 43 2HG2 ILE 43 -4.533 1.102 6.251 324 HG23 ILE 43 3HG2 ILE 43 -2.884 1.705 6.539 325 HD11 ILE 43 1HD1 ILE 43 -4.060 5.111 5.481 326 HD12 ILE 43 2HD1 ILE 43 -2.872 4.068 6.299 327 HD13 ILE 43 3HD1 ILE 43 -3.884 3.409 4.991 328 H GLN 44 H GLN 44 -8.061 2.011 8.716 329 HA GLN 44 HA GLN 44 -9.721 3.401 8.961 330 HB2 GLN 44 1HB GLN 44 -8.161 4.755 11.188 331 HB3 GLN 44 2HB GLN 44 -9.892 4.503 11.082 332 HG2 GLN 44 1HG GLN 44 -9.423 1.978 11.135 333 HG3 GLN 44 2HG GLN 44 -7.754 2.367 11.499 334 HE21 GLN 44 1HE2 GLN 44 -9.679 0.935 13.098 335 HE22 GLN 44 2HE2 GLN 44 -9.858 1.774 14.602 336 H TYR 45 H TYR 45 -8.718 4.283 6.782 337 HA TYR 45 HA TYR 45 -8.478 7.183 7.133 338 HB2 TYR 45 1HB TYR 45 -6.538 5.190 6.176 339 HB3 TYR 45 2HB TYR 45 -6.974 6.237 4.840 340 HD1 TYR 45 1HD TYR 45 -5.681 6.282 8.340 341 HD2 TYR 45 2HD TYR 45 -6.031 8.393 4.635 342 HE1 TYR 45 1HE TYR 45 -4.057 8.047 9.184 343 HE2 TYR 45 2HE TYR 45 -4.406 10.151 5.492 344 HH TYR 45 HH TYR 45 -3.677 11.019 7.666 345 H ALA 46 H ALA 46 -8.139 7.716 4.325 346 HA ALA 46 HA ALA 46 -10.729 6.744 3.327 347 HB1 ALA 46 1HB ALA 46 -9.964 9.188 2.061 348 HB2 ALA 46 2HB ALA 46 -11.328 8.901 3.168 349 HB3 ALA 46 3HB ALA 46 -9.747 9.403 3.814 350 H GLU 47 H GLU 47 -10.256 5.140 1.885 351 HA GLU 47 HA GLU 47 -7.939 4.690 0.640 352 HB2 GLU 47 1HB GLU 47 -9.349 3.550 -1.168 353 HB3 GLU 47 2HB GLU 47 -9.674 3.058 0.482 354 HG2 GLU 47 1HG GLU 47 -11.584 4.720 0.557 355 HG3 GLU 47 2HG GLU 47 -11.289 5.088 -1.131 356 H GLU 48 H GLU 48 -10.622 6.810 -0.548 357 HA GLU 48 HA GLU 48 -9.511 7.409 -2.983 358 HB2 GLU 48 1HB GLU 48 -11.030 9.325 -3.008 359 HB3 GLU 48 2HB GLU 48 -11.842 7.951 -2.282 360 HG2 GLU 48 1HG GLU 48 -10.975 8.927 0.003 361 HG3 GLU 48 2HG GLU 48 -10.701 10.403 -0.900 362 H ASP 49 H ASP 49 -8.657 8.483 0.264 363 HA ASP 49 HA ASP 49 -7.140 10.695 -0.769 364 HB2 ASP 49 1HB ASP 49 -7.391 9.566 2.060 365 HB3 ASP 49 2HB ASP 49 -6.564 11.056 1.649 366 H LEU 50 H LEU 50 -6.794 7.353 -0.512 367 HA LEU 50 HA LEU 50 -3.926 7.524 0.083 368 HB2 LEU 50 1HB LEU 50 -5.791 5.148 0.171 369 HB3 LEU 50 2HB LEU 50 -4.075 5.113 0.521 370 HG LEU 50 HG LEU 50 -6.208 6.574 2.100 371 HD11 LEU 50 1HD1 LEU 50 -5.343 4.964 3.909 372 HD12 LEU 50 2HD1 LEU 50 -6.405 4.312 2.638 373 HD13 LEU 50 3HD1 LEU 50 -4.648 4.037 2.558 374 HD21 LEU 50 1HD2 LEU 50 -4.116 7.862 2.051 375 HD22 LEU 50 2HD2 LEU 50 -4.456 7.200 3.668 376 HD23 LEU 50 3HD2 LEU 50 -3.227 6.434 2.633 377 H ALA 51 H ALA 51 -2.607 5.808 -1.214 378 HA ALA 51 HA ALA 51 -3.673 5.284 -3.841 379 HB1 ALA 51 1HB ALA 51 -1.141 6.929 -3.674 380 HB2 ALA 51 2HB ALA 51 -2.213 6.657 -5.069 381 HB3 ALA 51 3HB ALA 51 -2.736 7.715 -3.737 382 H LEU 52 H LEU 52 -2.713 3.466 -4.730 383 HA LEU 52 HA LEU 52 -0.893 2.072 -2.986 384 HB2 LEU 52 1HB LEU 52 -2.245 1.309 -5.577 385 HB3 LEU 52 2HB LEU 52 -1.199 0.245 -4.656 386 HG LEU 52 HG LEU 52 -3.134 -0.482 -3.777 387 HD11 LEU 52 1HD1 LEU 52 -3.687 0.478 -1.676 388 HD12 LEU 52 2HD1 LEU 52 -1.949 0.762 -1.932 389 HD13 LEU 52 3HD1 LEU 52 -3.113 2.086 -2.179 390 HD21 LEU 52 1HD2 LEU 52 -4.286 1.260 -5.422 391 HD22 LEU 52 2HD2 LEU 52 -5.202 0.385 -4.172 392 HD23 LEU 52 3HD2 LEU 52 -4.683 2.063 -3.884 393 H VAL 53 H VAL 53 1.244 2.501 -3.044 394 HA VAL 53 HA VAL 53 2.383 3.122 -5.682 395 HB VAL 53 HB VAL 53 3.273 4.022 -2.934 396 HG11 VAL 53 1HG1 VAL 53 5.271 4.300 -3.907 397 HG12 VAL 53 2HG1 VAL 53 4.617 3.965 -5.528 398 HG13 VAL 53 3HG1 VAL 53 4.519 5.608 -4.850 399 HG21 VAL 53 1HG2 VAL 53 2.709 6.292 -4.356 400 HG22 VAL 53 2HG2 VAL 53 1.448 5.182 -4.943 401 HG23 VAL 53 3HG2 VAL 53 1.602 5.512 -3.201 402 H ALA 54 H ALA 54 3.997 1.809 -6.435 403 HA ALA 54 HA ALA 54 4.813 -0.345 -4.618 404 HB1 ALA 54 1HB ALA 54 5.501 -0.741 -7.410 405 HB2 ALA 54 2HB ALA 54 4.449 -1.718 -6.359 406 HB3 ALA 54 3HB ALA 54 3.777 -0.331 -7.249 407 H ILE 55 H ILE 55 7.094 -1.058 -4.731 408 HA ILE 55 HA ILE 55 8.866 1.103 -5.627 409 HB ILE 55 HB ILE 55 9.221 -0.480 -3.084 410 HG12 ILE 55 1HG1 ILE 55 7.780 2.102 -3.595 411 HG13 ILE 55 2HG1 ILE 55 7.333 0.762 -2.559 412 HG21 ILE 55 1HG2 ILE 55 11.273 0.402 -4.150 413 HG22 ILE 55 2HG2 ILE 55 10.587 2.042 -4.062 414 HG23 ILE 55 3HG2 ILE 55 10.935 1.141 -2.566 415 HD11 ILE 55 1HD1 ILE 55 8.088 2.698 -1.215 416 HD12 ILE 55 2HD1 ILE 55 9.196 1.321 -1.004 417 HD13 ILE 55 3HD1 ILE 55 9.656 2.680 -2.058 418 H THR 56 H THR 56 11.103 0.360 -6.099 419 HA THR 56 HA THR 56 11.031 -2.424 -7.055 420 HB THR 56 HB THR 56 11.170 -0.646 -8.810 421 HG1 THR 56 1HG THR 56 13.776 -1.875 -8.306 422 HG21 THR 56 1HG2 THR 56 13.809 0.041 -7.411 423 HG22 THR 56 2HG2 THR 56 13.269 0.686 -8.979 424 HG23 THR 56 3HG2 THR 56 12.389 1.110 -7.491 425 H PHE 57 H PHE 57 13.309 -3.426 -7.228 426 HA PHE 57 HA PHE 57 14.252 -3.915 -4.747 427 HB2 PHE 57 1HB PHE 57 15.162 -4.098 -7.586 428 HB3 PHE 57 2HB PHE 57 16.503 -4.059 -6.459 429 HD1 PHE 57 2HD PHE 57 13.143 -5.707 -6.468 430 HD2 PHE 57 1HD PHE 57 17.342 -6.156 -6.046 431 HE1 PHE 57 2HE PHE 57 12.836 -8.157 -6.019 432 HE2 PHE 57 1HE PHE 57 17.035 -8.606 -5.598 433 HZ PHE 57 HZ PHE 57 14.785 -9.578 -5.589 434 H SER 58 H SER 58 15.801 -1.636 -7.129 435 HA SER 58 HA SER 58 17.816 -0.754 -5.622 436 HB2 SER 58 1HB SER 58 16.006 0.828 -7.492 437 HB3 SER 58 2HB SER 58 17.496 1.482 -6.843 438 HG SER 58 HG SER 58 18.256 -0.851 -7.780 439 H GLY 59 H GLY 59 14.613 0.980 -5.817 440 HA2 GLY 59 1HA GLY 59 13.663 1.260 -3.455 441 HA3 GLY 59 2HA GLY 59 15.163 2.113 -3.152 442 H GLU 60 H GLU 60 12.314 2.044 -5.387 443 HA GLU 60 HA GLU 60 12.309 4.924 -5.262 444 HB2 GLU 60 1HB GLU 60 12.627 3.326 -7.822 445 HB3 GLU 60 2HB GLU 60 11.881 4.911 -7.843 446 HG2 GLU 60 1HG GLU 60 13.975 5.750 -6.562 447 HG3 GLU 60 2HG GLU 60 14.706 4.205 -6.948 448 H LYS 61 H LYS 61 10.242 5.603 -4.869 449 HA LYS 61 HA LYS 61 8.142 3.697 -4.867 450 HB2 LYS 61 1HB LYS 61 8.468 6.582 -4.147 451 HB3 LYS 61 2HB LYS 61 6.845 5.982 -4.420 452 HG2 LYS 61 1HG LYS 61 6.899 4.560 -2.580 453 HG3 LYS 61 2HG LYS 61 8.621 4.266 -2.715 454 HD2 LYS 61 1HD LYS 61 7.969 7.091 -2.093 455 HD3 LYS 61 2HD LYS 61 7.407 5.970 -0.869 456 HE2 LYS 61 1HE LYS 61 9.667 5.020 -0.622 457 HE3 LYS 61 2HE LYS 61 10.260 5.980 -1.962 458 HZ1 LYS 61 1HZ LYS 61 9.234 7.030 0.583 459 HZ2 LYS 61 2HZ LYS 61 10.793 7.023 0.097 460 HZ3 LYS 61 3HZ LYS 61 9.701 7.958 -0.677 461 H HIS 62 H HIS 62 6.355 3.486 -6.243 462 HA HIS 62 HA HIS 62 6.339 5.215 -8.583 463 HB2 HIS 62 1HB HIS 62 7.380 2.593 -8.620 464 HB3 HIS 62 2HB HIS 62 5.794 2.479 -9.357 465 HD1 HIS 62 1HD HIS 62 8.802 4.858 -9.668 466 HD2 HIS 62 2HD HIS 62 5.908 2.953 -12.033 467 HE1 HIS 62 1HE HIS 62 9.321 5.494 -12.084 468 H GLU 63 H GLU 63 4.351 6.130 -8.556 469 HA GLU 63 HA GLU 63 2.234 4.767 -7.215 470 HB2 GLU 63 1HB GLU 63 2.781 7.340 -7.282 471 HB3 GLU 63 2HB GLU 63 1.915 7.326 -8.806 472 HG2 GLU 63 1HG GLU 63 0.320 5.834 -6.949 473 HG3 GLU 63 2HG GLU 63 0.841 7.280 -6.107 474 H LEU 64 H LEU 64 0.508 3.673 -8.140 475 HA LEU 64 HA LEU 64 0.499 3.608 -11.078 476 HB2 LEU 64 1HB LEU 64 -0.687 1.363 -9.570 477 HB3 LEU 64 2HB LEU 64 0.210 1.372 -11.075 478 HG LEU 64 HG LEU 64 2.194 2.033 -9.336 479 HD11 LEU 64 1HD1 LEU 64 1.808 1.500 -7.217 480 HD12 LEU 64 2HD1 LEU 64 0.095 1.260 -7.638 481 HD13 LEU 64 3HD1 LEU 64 1.222 -0.118 -7.673 482 HD21 LEU 64 1HD2 LEU 64 2.875 0.350 -10.650 483 HD22 LEU 64 2HD2 LEU 64 2.365 -0.694 -9.302 484 HD23 LEU 64 3HD2 LEU 64 1.270 -0.418 -10.678 485 H GLN 65 H GLN 65 -2.019 2.124 -11.169 486 HA GLN 65 HA GLN 65 -3.745 4.349 -10.434 487 HB2 GLN 65 1HB GLN 65 -3.733 2.369 -12.697 488 HB3 GLN 65 2HB GLN 65 -5.291 2.956 -12.148 489 HG2 GLN 65 1HG GLN 65 -3.521 5.225 -12.321 490 HG3 GLN 65 2HG GLN 65 -3.346 4.308 -13.803 491 HE21 GLN 65 1HE2 GLN 65 -5.269 6.429 -11.980 492 HE22 GLN 65 2HE2 GLN 65 -6.655 6.528 -13.014 493 HA PRO 66 HA PRO 66 -6.052 1.778 -7.807 494 HB2 PRO 66 1HB PRO 66 -8.632 2.619 -8.132 495 HB3 PRO 66 2HB PRO 66 -7.455 3.487 -7.166 496 HG2 PRO 66 1HG PRO 66 -8.496 4.148 -9.852 497 HG3 PRO 66 2HG PRO 66 -7.670 5.187 -8.709 498 HD2 PRO 66 1HD PRO 66 -6.551 3.998 -11.068 499 HD3 PRO 66 2HD PRO 66 -5.696 4.942 -9.863 500 H ASN 67 H ASN 67 -6.239 1.381 -11.052 501 HA ASN 67 HA ASN 67 -8.003 -0.910 -10.690 502 HB2 ASN 67 1HB ASN 67 -7.792 -0.697 -13.404 503 HB3 ASN 67 2HB ASN 67 -9.016 0.155 -12.484 504 HD21 ASN 67 1HD2 ASN 67 -9.064 2.296 -12.478 505 HD22 ASN 67 2HD2 ASN 67 -7.878 3.351 -13.172 506 H ASP 68 H ASP 68 -4.810 -0.094 -10.613 507 HA ASP 68 HA ASP 68 -3.744 -1.891 -12.512 508 HB2 ASP 68 1HB ASP 68 -2.626 0.195 -11.476 509 HB3 ASP 68 2HB ASP 68 -2.368 -0.766 -10.034 510 H LEU 69 H LEU 69 -3.906 -4.121 -12.217 511 HA LEU 69 HA LEU 69 -4.737 -5.384 -9.954 512 HB2 LEU 69 1HB LEU 69 -3.922 -6.083 -12.514 513 HB3 LEU 69 2HB LEU 69 -2.816 -6.959 -11.475 514 HG LEU 69 HG LEU 69 -4.634 -8.407 -11.940 515 HD11 LEU 69 1HD1 LEU 69 -3.905 -8.660 -9.695 516 HD12 LEU 69 2HD1 LEU 69 -4.838 -7.243 -9.156 517 HD13 LEU 69 3HD1 LEU 69 -5.684 -8.724 -9.668 518 HD21 LEU 69 1HD2 LEU 69 -6.228 -6.678 -12.694 519 HD22 LEU 69 2HD2 LEU 69 -6.970 -7.868 -11.598 520 HD23 LEU 69 3HD2 LEU 69 -6.541 -6.249 -10.995 521 H VAL 70 H VAL 70 -3.877 -5.988 -8.014 522 HA VAL 70 HA VAL 70 -1.140 -5.119 -7.530 523 HB VAL 70 HB VAL 70 -1.851 -5.627 -5.131 524 HG11 VAL 70 1HG1 VAL 70 -1.673 -3.357 -6.029 525 HG12 VAL 70 2HG1 VAL 70 -3.322 -3.474 -6.691 526 HG13 VAL 70 3HG1 VAL 70 -3.066 -3.494 -4.929 527 HG21 VAL 70 1HG2 VAL 70 -3.927 -6.329 -4.622 528 HG22 VAL 70 2HG2 VAL 70 -4.687 -5.276 -5.839 529 HG23 VAL 70 3HG2 VAL 70 -4.008 -6.849 -6.322 530 H ILE 71 H ILE 71 -1.891 -7.562 -9.157 531 HA ILE 71 HA ILE 71 -0.370 -9.458 -7.523 532 HB ILE 71 HB ILE 71 -2.721 -10.202 -9.261 533 HG12 ILE 71 1HG1 ILE 71 -3.330 -8.851 -7.212 534 HG13 ILE 71 2HG1 ILE 71 -4.064 -10.437 -7.337 535 HG21 ILE 71 1HG2 ILE 71 -0.813 -11.749 -7.520 536 HG22 ILE 71 2HG2 ILE 71 -2.449 -12.358 -7.869 537 HG23 ILE 71 3HG2 ILE 71 -1.310 -12.053 -9.202 538 HD11 ILE 71 1HD1 ILE 71 -3.266 -10.147 -5.056 539 HD12 ILE 71 2HD1 ILE 71 -2.223 -11.350 -5.852 540 HD13 ILE 71 3HD1 ILE 71 -1.649 -9.679 -5.633 541 H SER 72 H SER 72 -1.795 -9.415 -10.859 542 HA SER 72 HA SER 72 0.330 -10.614 -12.044 543 HB2 SER 72 1HB SER 72 -2.023 -9.985 -12.971 544 HB3 SER 72 2HB SER 72 -1.298 -8.457 -13.431 545 HG SER 72 HG SER 72 0.130 -10.792 -14.180 546 H LYS 73 H LYS 73 1.866 -9.568 -13.743 547 HA LYS 73 HA LYS 73 2.604 -6.844 -13.171 548 HB2 LYS 73 1HB LYS 73 4.972 -7.485 -12.618 549 HB3 LYS 73 2HB LYS 73 3.793 -7.812 -11.364 550 HG2 LYS 73 1HG LYS 73 3.906 -10.131 -11.653 551 HG3 LYS 73 2HG LYS 73 4.336 -10.011 -13.348 552 HD2 LYS 73 1HD LYS 73 6.205 -9.217 -11.067 553 HD3 LYS 73 2HD LYS 73 6.224 -10.792 -11.835 554 HE2 LYS 73 1HE LYS 73 6.347 -8.459 -13.704 555 HE3 LYS 73 2HE LYS 73 7.747 -8.663 -12.670 556 HZ1 LYS 73 1HZ LYS 73 8.124 -10.770 -13.520 557 HZ2 LYS 73 2HZ LYS 73 6.630 -10.919 -14.162 558 HZ3 LYS 73 3HZ LYS 73 7.714 -9.903 -14.841 559 H SER 74 H SER 74 1.869 -6.710 -15.407 560 HA SER 74 HA SER 74 2.676 -8.225 -17.460 561 HB2 SER 74 1HB SER 74 2.516 -6.065 -18.845 562 HB3 SER 74 2HB SER 74 1.110 -6.489 -17.889 563 HG SER 74 HG SER 74 2.740 -4.260 -17.718 564 H LEU 75 H LEU 75 4.350 -5.156 -16.417 565 HA LEU 75 HA LEU 75 6.909 -6.323 -16.629 566 HB2 LEU 75 1HB LEU 75 7.763 -5.186 -18.559 567 HB3 LEU 75 2HB LEU 75 6.430 -6.229 -19.012 568 HG LEU 75 HG LEU 75 5.689 -3.416 -18.452 569 HD11 LEU 75 1HD1 LEU 75 6.709 -3.577 -21.162 570 HD12 LEU 75 2HD1 LEU 75 6.996 -2.354 -19.901 571 HD13 LEU 75 3HD1 LEU 75 8.002 -3.821 -19.963 572 HD21 LEU 75 1HD2 LEU 75 3.939 -4.722 -19.248 573 HD22 LEU 75 2HD2 LEU 75 4.490 -3.854 -20.701 574 HD23 LEU 75 3HD2 LEU 75 4.963 -5.551 -20.445 575 H GLU 76 H GLU 76 5.825 -5.172 -14.483 576 HA GLU 76 HA GLU 76 7.049 -2.524 -14.501 577 HB2 GLU 76 1HB GLU 76 5.344 -1.783 -12.870 578 HB3 GLU 76 2HB GLU 76 4.598 -2.301 -14.369 579 HG2 GLU 76 1HG GLU 76 4.383 -4.647 -13.204 580 HG3 GLU 76 2HG GLU 76 4.696 -3.777 -11.715 581 H ALA 77 H ALA 77 6.138 -5.451 -12.590 582 HA ALA 77 HA ALA 77 7.067 -6.421 -10.833 583 HB1 ALA 77 1HB ALA 77 9.696 -5.484 -10.676 584 HB2 ALA 77 2HB ALA 77 9.133 -6.901 -11.595 585 HB3 ALA 77 3HB ALA 77 9.282 -5.320 -12.400 586 H SER 78 H SER 78 8.733 -5.728 -8.780 587 HA SER 78 HA SER 78 8.872 -3.247 -7.856 588 HB2 SER 78 1HB SER 78 6.754 -2.471 -7.628 589 HB3 SER 78 2HB SER 78 6.063 -4.051 -7.939 590 HG SER 78 HG SER 78 6.206 -2.752 -5.586 591 H GLY 79 H GLY 79 6.985 -6.010 -6.413 592 HA2 GLY 79 1HA GLY 79 8.281 -7.717 -5.216 593 HA3 GLY 79 2HA GLY 79 9.237 -6.416 -4.535 594 H ARG 80 H ARG 80 7.177 -4.491 -3.996 595 HA ARG 80 HA ARG 80 5.173 -5.821 -2.484 596 HB2 ARG 80 1HB ARG 80 7.594 -4.598 -1.176 597 HB3 ARG 80 2HB ARG 80 6.049 -4.291 -0.409 598 HG2 ARG 80 1HG ARG 80 7.247 -7.027 -1.042 599 HG3 ARG 80 2HG ARG 80 7.051 -6.320 0.550 600 HD2 ARG 80 1HD ARG 80 5.014 -7.323 0.658 601 HD3 ARG 80 2HD ARG 80 4.461 -6.198 -0.567 602 HE ARG 80 HE ARG 80 5.897 -8.507 -1.669 603 HH11 ARG 80 2HH2 ARG 80 2.766 -7.268 -0.646 604 HH12 ARG 80 1HH2 ARG 80 1.864 -8.383 -1.618 605 HH21 ARG 80 2HH1 ARG 80 4.708 -9.978 -2.951 606 HH22 ARG 80 1HH1 ARG 80 2.976 -9.935 -2.937 607 H ILE 81 H ILE 81 3.389 -4.420 -2.117 608 HA ILE 81 HA ILE 81 3.608 -1.854 -3.440 609 HB ILE 81 HB ILE 81 1.226 -3.316 -2.295 610 HG12 ILE 81 1HG1 ILE 81 2.177 -4.620 -4.074 611 HG13 ILE 81 2HG1 ILE 81 0.717 -3.848 -4.660 612 HG21 ILE 81 1HG2 ILE 81 1.411 -0.846 -4.039 613 HG22 ILE 81 2HG2 ILE 81 -0.086 -1.751 -3.710 614 HG23 ILE 81 3HG2 ILE 81 0.781 -0.951 -2.378 615 HD11 ILE 81 1HD1 ILE 81 2.459 -1.925 -5.389 616 HD12 ILE 81 2HD1 ILE 81 3.581 -3.306 -5.387 617 HD13 ILE 81 3HD1 ILE 81 2.133 -3.337 -6.422 618 H TYR 82 H TYR 82 2.675 0.122 -2.403 619 HA TYR 82 HA TYR 82 2.796 0.042 0.516 620 HB2 TYR 82 1HB TYR 82 4.344 1.825 -1.464 621 HB3 TYR 82 2HB TYR 82 4.240 2.191 0.247 622 HD1 TYR 82 1HD TYR 82 5.323 -0.528 -2.091 623 HD2 TYR 82 2HD TYR 82 5.857 1.352 1.715 624 HE1 TYR 82 1HE TYR 82 7.359 -1.985 -1.649 625 HE2 TYR 82 2HE TYR 82 7.891 -0.112 2.144 626 HH TYR 82 HH TYR 82 9.050 -1.824 1.460 627 H VAL 83 H VAL 83 1.484 1.586 1.537 628 HA VAL 83 HA VAL 83 -0.185 3.131 -0.322 629 HB VAL 83 HB VAL 83 -1.461 1.457 0.781 630 HG11 VAL 83 1HG1 VAL 83 -1.579 1.290 3.262 631 HG12 VAL 83 2HG1 VAL 83 0.023 0.878 2.606 632 HG13 VAL 83 3HG1 VAL 83 -0.244 2.461 3.375 633 HG21 VAL 83 1HG2 VAL 83 -1.960 4.026 2.314 634 HG22 VAL 83 2HG2 VAL 83 -2.417 3.779 0.612 635 HG23 VAL 83 3HG2 VAL 83 -3.141 2.766 1.884 636 H TYR 84 H TYR 84 -0.816 5.301 0.342 637 HA TYR 84 HA TYR 84 0.569 6.439 2.604 638 HB2 TYR 84 1HB TYR 84 1.009 7.265 -0.335 639 HB3 TYR 84 2HB TYR 84 1.662 8.138 1.038 640 HD1 TYR 84 2HD TYR 84 3.047 6.494 2.732 641 HD2 TYR 84 1HD TYR 84 2.482 5.884 -1.465 642 HE1 TYR 84 2HE TYR 84 5.133 5.042 2.655 643 HE2 TYR 84 1HE TYR 84 4.569 4.434 -1.527 644 HH TYR 84 HH TYR 84 6.279 3.696 -0.424 645 H ARG 85 H ARG 85 0.155 9.014 2.467 646 HA ARG 85 HA ARG 85 -2.686 9.179 1.957 647 HB2 ARG 85 1HB ARG 85 -2.261 11.456 3.283 648 HB3 ARG 85 2HB ARG 85 -2.344 9.934 4.146 649 HG2 ARG 85 1HG ARG 85 0.053 9.770 4.316 650 HG3 ARG 85 2HG ARG 85 0.305 11.010 3.103 651 HD2 ARG 85 1HD ARG 85 -1.323 11.962 5.388 652 HD3 ARG 85 2HD ARG 85 0.272 11.420 5.871 653 HE ARG 85 HE ARG 85 0.823 12.973 3.662 654 HH11 ARG 85 2HH2 ARG 85 -1.042 13.543 6.591 655 HH12 ARG 85 1HH2 ARG 85 -0.738 15.248 6.606 656 HH21 ARG 85 2HH1 ARG 85 1.224 15.223 3.680 657 HH22 ARG 85 1HH1 ARG 85 0.559 16.210 4.939 658 H LYS 86 H LYS 86 -3.370 10.206 0.104 659 HA LYS 86 HA LYS 86 -1.599 11.437 -1.653 660 HB2 LYS 86 1HB LYS 86 -4.605 11.352 -1.422 661 HB3 LYS 86 2HB LYS 86 -3.822 12.295 -2.674 662 HG2 LYS 86 1HG LYS 86 -2.442 10.054 -3.095 663 HG3 LYS 86 2HG LYS 86 -3.783 9.297 -2.257 664 HD2 LYS 86 1HD LYS 86 -4.706 9.226 -4.362 665 HD3 LYS 86 2HD LYS 86 -5.195 10.865 -3.979 666 HE2 LYS 86 1HE LYS 86 -3.511 11.833 -5.309 667 HE3 LYS 86 2HE LYS 86 -2.455 10.441 -5.178 668 HZ1 LYS 86 1HZ LYS 86 -3.408 9.515 -6.931 669 HZ2 LYS 86 2HZ LYS 86 -4.931 9.836 -6.437 670 HZ3 LYS 86 3HZ LYS 86 -4.079 10.970 -7.246 671 H ASP 87 H ASP 87 -0.760 13.461 -1.799 672 HA ASP 87 HA ASP 87 -2.066 15.740 -1.061 673 HB2 ASP 87 1HB ASP 87 -0.995 14.337 1.215 674 HB3 ASP 87 2HB ASP 87 0.003 15.756 0.967 675 H LEU 88 H LEU 88 1.194 14.155 -0.651 676 HA LEU 88 HA LEU 88 2.618 16.411 -1.590 677 HB2 LEU 88 1HB LEU 88 3.352 13.521 -1.142 678 HB3 LEU 88 2HB LEU 88 4.498 14.713 -1.721 679 HG LEU 88 HG LEU 88 3.105 15.613 0.686 680 HD11 LEU 88 1HD1 LEU 88 4.995 13.386 1.286 681 HD12 LEU 88 2HD1 LEU 88 3.621 14.017 2.225 682 HD13 LEU 88 3HD1 LEU 88 3.330 12.966 0.818 683 HD21 LEU 88 1HD2 LEU 88 6.061 15.135 0.376 684 HD22 LEU 88 2HD2 LEU 88 5.248 16.479 -0.461 685 HD23 LEU 88 3HD2 LEU 88 5.209 16.384 1.316 686 H ALA 89 H ALA 89 1.557 17.020 -3.562 687 HA ALA 89 HA ALA 89 0.988 16.840 -5.725 688 HB1 ALA 89 1HB ALA 89 3.719 17.020 -5.318 689 HB2 ALA 89 2HB ALA 89 3.591 15.674 -6.476 690 HB3 ALA 89 3HB ALA 89 2.891 17.261 -6.876 691 H ASP 90 H ASP 90 2.153 14.989 -7.728 692 HA ASP 90 HA ASP 90 0.227 13.061 -7.659 693 HB2 ASP 90 1HB ASP 90 2.465 13.789 -9.304 694 HB3 ASP 90 2HB ASP 90 2.589 12.063 -9.028 695 H THR 91 H THR 91 3.803 12.379 -7.442 696 HA THR 91 HA THR 91 3.720 9.859 -6.476 697 HB THR 91 HB THR 91 5.673 11.976 -5.462 698 HG1 THR 91 1HG THR 91 6.475 11.947 -7.605 699 HG21 THR 91 1HG2 THR 91 5.747 9.013 -6.111 700 HG22 THR 91 2HG2 THR 91 7.220 9.988 -6.329 701 HG23 THR 91 3HG2 THR 91 6.461 9.869 -4.724 702 H LEU 92 H LEU 92 4.225 8.979 -4.266 703 HA LEU 92 HA LEU 92 2.552 10.409 -2.322 704 HB2 LEU 92 1HB LEU 92 2.990 7.467 -2.806 705 HB3 LEU 92 2HB LEU 92 2.281 8.087 -1.328 706 HG LEU 92 HG LEU 92 0.881 7.318 -3.530 707 HD11 LEU 92 1HD1 LEU 92 -0.455 7.469 -1.722 708 HD12 LEU 92 2HD1 LEU 92 0.320 8.959 -1.133 709 HD13 LEU 92 3HD1 LEU 92 -0.892 9.041 -2.434 710 HD21 LEU 92 1HD2 LEU 92 1.698 9.146 -4.912 711 HD22 LEU 92 2HD2 LEU 92 -0.046 9.325 -4.605 712 HD23 LEU 92 3HD2 LEU 92 1.122 10.334 -3.718 713 H ASN 93 H ASN 93 3.261 9.097 0.004 714 HA ASN 93 HA ASN 93 6.088 8.968 0.189 715 HB2 ASN 93 1HB ASN 93 4.564 11.407 1.111 716 HB3 ASN 93 2HB ASN 93 5.845 10.828 2.157 717 HD21 ASN 93 1HD2 ASN 93 5.017 12.150 -0.955 718 HD22 ASN 93 2HD2 ASN 93 6.606 12.608 -1.468 719 HA PRO 94 HA PRO 94 4.723 6.648 3.652 720 HB2 PRO 94 1HB PRO 94 7.004 6.456 5.146 721 HB3 PRO 94 2HB PRO 94 6.689 5.453 3.743 722 HG2 PRO 94 1HG PRO 94 8.521 7.760 4.000 723 HG3 PRO 94 2HG PRO 94 8.501 6.504 2.777 724 HD2 PRO 94 1HD PRO 94 7.548 9.194 2.490 725 HD3 PRO 94 2HD PRO 94 7.423 7.906 1.308 726 H PHE 95 H PHE 95 3.490 6.930 5.419 727 HA PHE 95 HA PHE 95 3.156 9.466 6.402 728 HB2 PHE 95 1HB PHE 95 2.699 6.621 7.416 729 HB3 PHE 95 2HB PHE 95 2.279 7.966 8.458 730 HD1 PHE 95 2HD PHE 95 0.609 9.682 7.581 731 HD2 PHE 95 1HD PHE 95 1.238 5.922 5.717 732 HE1 PHE 95 2HE PHE 95 -1.609 9.884 6.425 733 HE2 PHE 95 1HE PHE 95 -0.981 6.124 4.561 734 HZ PHE 95 HZ PHE 95 -2.378 8.103 4.929 735 H ALA 96 H ALA 96 3.326 9.839 8.996 736 HA ALA 96 HA ALA 96 6.187 9.546 9.559 737 HB1 ALA 96 1HB ALA 96 4.151 11.656 9.934 738 HB2 ALA 96 2HB ALA 96 5.186 11.381 11.356 739 HB3 ALA 96 3HB ALA 96 5.920 11.786 9.787 740 H GLU 97 H GLU 97 6.875 8.332 11.273 741 HA GLU 97 HA GLU 97 5.172 6.547 12.449 742 HB2 GLU 97 1HB GLU 97 7.893 7.596 13.323 743 HB3 GLU 97 2HB GLU 97 7.089 6.275 14.147 744 HG2 GLU 97 1HG GLU 97 7.232 4.833 12.271 745 HG3 GLU 97 2HG GLU 97 7.414 6.157 11.138 746 H ASN 98 H ASN 98 4.850 6.327 14.953 747 HA ASN 98 HA ASN 98 3.876 7.035 16.755 748 HB2 ASN 98 1HB ASN 98 5.966 8.982 16.267 749 HB3 ASN 98 2HB ASN 98 4.580 9.840 16.909 750 HD21 ASN 98 1HD2 ASN 98 6.251 10.141 18.633 751 HD22 ASN 98 2HD2 ASN 98 6.295 8.999 19.935 752 H SER 99 H SER 99 2.086 8.547 17.594 753 HA SER 99 HA SER 99 0.213 9.611 17.343 754 HB2 SER 99 1HB SER 99 2.020 11.319 16.278 755 HB3 SER 99 2HB SER 99 1.047 11.056 14.844 756 HG SER 99 HG SER 99 -0.542 11.488 17.081 757 H GLY 100 H GLY 100 -1.708 8.771 16.596 758 HA2 GLY 100 1HA GLY 100 -2.531 8.514 14.001 759 HA3 GLY 100 2HA GLY 100 -1.690 7.012 14.333 760 HA PRO 101 HA PRO 101 -5.973 7.019 16.172 761 HB2 PRO 101 1HB PRO 101 -7.474 5.880 14.193 762 HB3 PRO 101 2HB PRO 101 -7.413 7.608 14.475 763 HG2 PRO 101 1HG PRO 101 -6.129 6.034 12.327 764 HG3 PRO 101 2HG PRO 101 -6.436 7.759 12.391 765 HD2 PRO 101 1HD PRO 101 -3.921 6.447 12.814 766 HD3 PRO 101 2HD PRO 101 -4.253 8.158 12.992 767 H SER 102 H SER 102 -5.304 5.588 17.710 768 HA SER 102 HA SER 102 -5.358 3.610 18.644 769 HB2 SER 102 1HB SER 102 -7.210 3.110 16.855 770 HB3 SER 102 2HB SER 102 -5.959 2.210 16.020 771 HG SER 102 HG SER 102 -5.984 0.660 17.538 772 H SER 103 H SER 103 -4.147 3.181 15.231 773 HA SER 103 HA SER 103 -2.084 1.477 16.014 774 HB2 SER 103 1HB SER 103 -3.131 2.607 13.574 775 HB3 SER 103 2HB SER 103 -1.393 2.830 13.570 776 HG SER 103 HG SER 103 -2.620 0.636 12.878 777 H GLY 104 H GLY 104 -0.722 2.317 17.628 778 HA2 GLY 104 1HA GLY 104 1.495 3.420 17.579 779 HA3 GLY 104 2HA GLY 104 0.676 4.837 16.951
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