NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519827 | 2lba | 17551 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 -12.752 -7.578 -6.195 2 HA ALA 1 HA ALA 1 -13.734 -9.149 -3.890 3 HB1 ALA 1 HB1 ALA 1 -11.662 -9.840 -5.963 4 HB2 ALA 1 HB2 ALA 1 -13.337 -10.387 -6.000 5 HB3 ALA 1 HB3 ALA 1 -12.276 -10.886 -4.681 6 H PHE 2 H PHE 2 -12.809 -6.766 -3.095 7 HA PHE 2 HA PHE 2 -9.952 -6.738 -2.800 8 HB2 PHE 2 HB2 PHE 2 -12.170 -5.048 -1.654 9 HB3 PHE 2 HB3 PHE 2 -10.500 -4.851 -1.139 10 HD1 PHE 2 HD1 PHE 2 -8.790 -4.631 -3.169 11 HD2 PHE 2 HD2 PHE 2 -12.931 -3.679 -3.322 12 HE1 PHE 2 HE1 PHE 2 -8.370 -3.135 -5.077 13 HE2 PHE 2 HE2 PHE 2 -12.521 -2.184 -5.235 14 HZ PHE 2 HZ PHE 2 -10.239 -1.913 -6.114 15 H THR 3 H THR 3 -12.701 -7.683 -0.808 16 HA THR 3 HA THR 3 -11.423 -7.961 1.640 17 HB THR 3 HB THR 3 -13.529 -9.908 0.776 18 HG1 THR 3 HG1 THR 3 -14.815 -8.291 0.345 19 HG21 THR 3 HG21 THR 3 -12.498 -10.031 3.018 20 HG22 THR 3 HG22 THR 3 -14.227 -9.670 3.086 21 HG23 THR 3 HG23 THR 3 -13.041 -8.383 3.329 22 H GLY 4 H GLY 4 -9.961 -9.322 2.411 23 HA2 GLY 4 HA2 GLY 4 -9.594 -11.889 2.431 24 HA3 GLY 4 HA3 GLY 4 -9.230 -11.610 0.742 25 H LYS 5 H LYS 5 -7.330 -12.773 2.103 26 HA LYS 5 HA LYS 5 -5.485 -10.719 3.047 27 HB2 LYS 5 HB2 LYS 5 -4.561 -12.349 4.295 28 HB3 LYS 5 HB3 LYS 5 -5.929 -13.344 3.819 29 HG2 LYS 5 HG2 LYS 5 -4.560 -14.067 1.841 30 HG3 LYS 5 HG3 LYS 5 -3.184 -13.271 2.610 31 HD2 LYS 5 HD2 LYS 5 -4.840 -15.396 3.959 32 HD3 LYS 5 HD3 LYS 5 -3.386 -15.753 3.028 33 HE2 LYS 5 HE2 LYS 5 -2.847 -13.637 4.870 34 HE3 LYS 5 HE3 LYS 5 -3.580 -14.988 5.729 35 HZ1 LYS 5 HZ1 LYS 5 -1.237 -15.235 3.916 36 HZ2 LYS 5 HZ2 LYS 5 -1.900 -16.445 4.895 37 HZ3 LYS 5 HZ3 LYS 5 -1.138 -15.114 5.605 38 H TYR 6 H TYR 6 -3.615 -10.169 1.995 39 HA TYR 6 HA TYR 6 -3.220 -11.330 -0.688 40 HB2 TYR 6 HB2 TYR 6 -2.944 -8.456 0.192 41 HB3 TYR 6 HB3 TYR 6 -2.338 -9.061 -1.338 42 HD1 TYR 6 HD1 TYR 6 -4.162 -10.338 -2.793 43 HD2 TYR 6 HD2 TYR 6 -5.021 -7.462 0.221 44 HE1 TYR 6 HE1 TYR 6 -6.335 -9.893 -3.848 45 HE2 TYR 6 HE2 TYR 6 -7.198 -7.010 -0.827 46 HH TYR 6 HH TYR 6 -8.722 -8.881 -2.827 47 H GLU 7 H GLU 7 -1.140 -11.807 -1.262 48 HA GLU 7 HA GLU 7 0.959 -11.101 0.667 49 HB2 GLU 7 HB2 GLU 7 0.302 -13.795 -0.463 50 HB3 GLU 7 HB3 GLU 7 1.968 -13.410 -0.065 51 HG2 GLU 7 HG2 GLU 7 1.466 -13.088 2.212 52 HG3 GLU 7 HG3 GLU 7 -0.273 -13.070 1.904 53 H PHE 8 H PHE 8 2.954 -10.649 -0.161 54 HA PHE 8 HA PHE 8 3.137 -9.346 -2.565 55 HB2 PHE 8 HB2 PHE 8 4.776 -9.528 -0.503 56 HB3 PHE 8 HB3 PHE 8 5.580 -10.714 -1.525 57 HD1 PHE 8 HD1 PHE 8 6.085 -9.914 -3.977 58 HD2 PHE 8 HD2 PHE 8 5.353 -7.310 -0.690 59 HE1 PHE 8 HE1 PHE 8 7.238 -8.101 -5.166 60 HE2 PHE 8 HE2 PHE 8 6.509 -5.490 -1.878 61 HZ PHE 8 HZ PHE 8 7.451 -5.882 -4.114 62 H GLU 9 H GLU 9 3.181 -9.931 -4.607 63 HA GLU 9 HA GLU 9 4.028 -12.670 -5.288 64 HB2 GLU 9 HB2 GLU 9 1.598 -12.216 -5.602 65 HB3 GLU 9 HB3 GLU 9 2.022 -10.959 -6.760 66 HG2 GLU 9 HG2 GLU 9 1.751 -12.602 -8.249 67 HG3 GLU 9 HG3 GLU 9 3.399 -13.019 -7.786 68 H SER 10 H SER 10 3.709 -9.384 -6.590 69 HA SER 10 HA SER 10 6.344 -9.598 -7.785 70 HB2 SER 10 HB2 SER 10 3.825 -9.239 -9.410 71 HB3 SER 10 HB3 SER 10 5.432 -8.875 -10.022 72 HG SER 10 HG SER 10 5.434 -11.307 -8.896 73 H ASP 11 H ASP 11 6.899 -7.456 -8.937 74 HA ASP 11 HA ASP 11 5.466 -5.140 -8.073 75 HB2 ASP 11 HB2 ASP 11 6.985 -4.226 -6.540 76 HB3 ASP 11 HB3 ASP 11 6.927 -5.918 -6.069 77 H GLU 12 H GLU 12 6.557 -3.146 -8.818 78 HA GLU 12 HA GLU 12 8.573 -3.498 -10.883 79 HB2 GLU 12 HB2 GLU 12 6.677 -3.828 -12.242 80 HB3 GLU 12 HB3 GLU 12 5.762 -2.611 -11.386 81 HG2 GLU 12 HG2 GLU 12 7.342 -0.896 -12.348 82 HG3 GLU 12 HG3 GLU 12 7.988 -2.187 -13.353 83 H ASN 13 H ASN 13 9.806 -1.765 -11.141 84 HA ASN 13 HA ASN 13 10.855 0.197 -10.717 85 HB2 ASN 13 HB2 ASN 13 7.978 1.013 -10.658 86 HB3 ASN 13 HB3 ASN 13 9.215 2.179 -10.202 87 HD21 ASN 13 HD21 ASN 13 7.389 2.151 -12.473 88 HD22 ASN 13 HD22 ASN 13 8.392 2.246 -13.883 89 H TYR 14 H TYR 14 10.537 -1.614 -8.503 90 HA TYR 14 HA TYR 14 9.742 -0.297 -6.152 91 HB2 TYR 14 HB2 TYR 14 10.153 -2.772 -6.371 92 HB3 TYR 14 HB3 TYR 14 11.881 -2.435 -6.333 93 HD1 TYR 14 HD1 TYR 14 12.721 -1.069 -4.266 94 HD2 TYR 14 HD2 TYR 14 9.025 -3.178 -4.361 95 HE1 TYR 14 HE1 TYR 14 12.654 -1.052 -1.812 96 HE2 TYR 14 HE2 TYR 14 8.956 -3.169 -1.896 97 HH TYR 14 HH TYR 14 10.502 -2.939 -0.005 98 H ASP 15 H ASP 15 13.060 -0.844 -7.359 99 HA ASP 15 HA ASP 15 14.334 0.739 -5.419 100 HB2 ASP 15 HB2 ASP 15 15.265 0.087 -8.206 101 HB3 ASP 15 HB3 ASP 15 16.276 0.718 -6.921 102 H ASP 16 H ASP 16 13.092 1.533 -8.617 103 HA ASP 16 HA ASP 16 14.178 4.111 -8.811 104 HB2 ASP 16 HB2 ASP 16 12.408 2.494 -10.295 105 HB3 ASP 16 HB3 ASP 16 11.583 4.025 -10.025 106 H PHE 17 H PHE 17 11.140 2.942 -7.478 107 HA PHE 17 HA PHE 17 10.023 5.440 -6.837 108 HB2 PHE 17 HB2 PHE 17 8.791 3.285 -6.955 109 HB3 PHE 17 HB3 PHE 17 9.591 2.779 -5.472 110 HD1 PHE 17 HD1 PHE 17 7.335 5.360 -6.881 111 HD2 PHE 17 HD2 PHE 17 8.692 3.326 -3.393 112 HE1 PHE 17 HE1 PHE 17 5.538 6.407 -5.574 113 HE2 PHE 17 HE2 PHE 17 6.892 4.375 -2.083 114 HZ PHE 17 HZ PHE 17 5.318 5.917 -3.174 115 H VAL 18 H VAL 18 11.759 3.083 -4.800 116 HA VAL 18 HA VAL 18 11.719 4.637 -2.464 117 HB VAL 18 HB VAL 18 13.505 3.184 -1.619 118 HG11 VAL 18 HG11 VAL 18 11.439 1.607 -3.138 119 HG12 VAL 18 HG12 VAL 18 11.117 2.489 -1.645 120 HG13 VAL 18 HG13 VAL 18 12.255 1.143 -1.645 121 HG21 VAL 18 HG21 VAL 18 14.258 1.290 -3.096 122 HG22 VAL 18 HG22 VAL 18 14.915 2.877 -3.501 123 HG23 VAL 18 HG23 VAL 18 13.596 2.199 -4.462 124 H LYS 19 H LYS 19 14.021 4.550 -5.154 125 HA LYS 19 HA LYS 19 15.959 6.201 -3.885 126 HB2 LYS 19 HB2 LYS 19 15.425 5.366 -6.704 127 HB3 LYS 19 HB3 LYS 19 16.583 6.658 -6.398 128 HG2 LYS 19 HG2 LYS 19 16.709 3.893 -5.196 129 HG3 LYS 19 HG3 LYS 19 17.626 4.425 -6.604 130 HD2 LYS 19 HD2 LYS 19 19.225 5.015 -5.161 131 HD3 LYS 19 HD3 LYS 19 18.183 6.367 -4.725 132 HE2 LYS 19 HE2 LYS 19 17.098 4.749 -3.058 133 HE3 LYS 19 HE3 LYS 19 18.502 3.722 -3.343 134 HZ1 LYS 19 HZ1 LYS 19 18.570 6.518 -2.357 135 HZ2 LYS 19 HZ2 LYS 19 19.924 5.544 -2.638 136 HZ3 LYS 19 HZ3 LYS 19 18.824 5.132 -1.422 137 H LYS 20 H LYS 20 13.011 6.924 -5.612 138 HA LYS 20 HA LYS 20 13.682 9.712 -5.968 139 HB2 LYS 20 HB2 LYS 20 11.195 8.102 -6.466 140 HB3 LYS 20 HB3 LYS 20 11.228 9.854 -6.650 141 HG2 LYS 20 HG2 LYS 20 13.081 7.969 -8.069 142 HG3 LYS 20 HG3 LYS 20 11.566 8.562 -8.731 143 HD2 LYS 20 HD2 LYS 20 13.404 10.630 -7.717 144 HD3 LYS 20 HD3 LYS 20 13.957 9.746 -9.139 145 HE2 LYS 20 HE2 LYS 20 11.838 10.284 -10.266 146 HE3 LYS 20 HE3 LYS 20 11.337 11.208 -8.852 147 HZ1 LYS 20 HZ1 LYS 20 13.906 11.942 -9.956 148 HZ2 LYS 20 HZ2 LYS 20 12.643 12.918 -9.410 149 HZ3 LYS 20 HZ3 LYS 20 12.583 12.260 -10.965 150 H ILE 21 H ILE 21 11.455 7.854 -3.930 151 HA ILE 21 HA ILE 21 10.472 10.141 -2.540 152 HB ILE 21 HB ILE 21 9.569 8.546 -0.885 153 HG12 ILE 21 HG12 ILE 21 10.732 6.364 -2.602 154 HG13 ILE 21 HG13 ILE 21 11.540 6.949 -1.155 155 HG21 ILE 21 HG21 ILE 21 9.133 7.967 -3.802 156 HG22 ILE 21 HG22 ILE 21 8.178 9.007 -2.742 157 HG23 ILE 21 HG23 ILE 21 8.142 7.256 -2.527 158 HD11 ILE 21 HD11 ILE 21 8.771 5.779 -1.212 159 HD12 ILE 21 HD12 ILE 21 9.682 6.266 0.214 160 HD13 ILE 21 HD13 ILE 21 10.237 4.907 -0.765 161 H GLY 22 H GLY 22 13.440 8.630 -2.443 162 HA2 GLY 22 HA2 GLY 22 15.289 9.082 -1.157 163 HA3 GLY 22 HA3 GLY 22 14.326 10.248 -0.264 164 H LEU 23 H LEU 23 13.655 6.810 -0.647 165 HA LEU 23 HA LEU 23 13.279 6.456 2.159 166 HB2 LEU 23 HB2 LEU 23 12.174 5.197 0.206 167 HB3 LEU 23 HB3 LEU 23 13.659 4.272 0.125 168 HG LEU 23 HG LEU 23 13.283 3.530 2.477 169 HD11 LEU 23 HD11 LEU 23 11.824 5.479 3.092 170 HD12 LEU 23 HD12 LEU 23 11.208 3.898 3.568 171 HD13 LEU 23 HD13 LEU 23 10.539 4.716 2.157 172 HD21 LEU 23 HD21 LEU 23 11.940 1.800 1.849 173 HD22 LEU 23 HD22 LEU 23 12.371 2.443 0.261 174 HD23 LEU 23 HD23 LEU 23 10.815 2.845 0.984 175 HA PRO 24 HA PRO 24 17.552 5.735 3.204 176 HB2 PRO 24 HB2 PRO 24 17.125 4.474 5.599 177 HB3 PRO 24 HB3 PRO 24 17.026 6.233 5.397 178 HG2 PRO 24 HG2 PRO 24 14.847 4.217 5.495 179 HG3 PRO 24 HG3 PRO 24 14.932 5.831 6.226 180 HD2 PRO 24 HD2 PRO 24 13.548 5.354 3.967 181 HD3 PRO 24 HD3 PRO 24 14.377 6.896 4.254 182 H ALA 25 H ALA 25 18.951 4.122 2.842 183 HA ALA 25 HA ALA 25 18.261 1.761 1.588 184 HB1 ALA 25 HB1 ALA 25 20.568 1.007 2.055 185 HB2 ALA 25 HB2 ALA 25 20.757 2.361 3.168 186 HB3 ALA 25 HB3 ALA 25 20.498 2.660 1.448 187 H ASP 26 H ASP 26 18.820 2.348 5.001 188 HA ASP 26 HA ASP 26 18.899 -0.259 5.935 189 HB2 ASP 26 HB2 ASP 26 17.868 2.252 7.262 190 HB3 ASP 26 HB3 ASP 26 18.071 0.721 8.106 191 H LYS 27 H LYS 27 16.127 1.762 5.146 192 HA LYS 27 HA LYS 27 14.267 -0.237 6.165 193 HB2 LYS 27 HB2 LYS 27 13.786 2.428 4.836 194 HB3 LYS 27 HB3 LYS 27 12.516 1.381 5.443 195 HG2 LYS 27 HG2 LYS 27 14.690 2.647 7.110 196 HG3 LYS 27 HG3 LYS 27 13.028 3.212 6.981 197 HD2 LYS 27 HD2 LYS 27 12.256 1.029 7.860 198 HD3 LYS 27 HD3 LYS 27 13.939 0.571 8.102 199 HE2 LYS 27 HE2 LYS 27 14.187 2.603 9.558 200 HE3 LYS 27 HE3 LYS 27 12.445 2.819 9.438 201 HZ1 LYS 27 HZ1 LYS 27 12.213 0.546 10.383 202 HZ2 LYS 27 HZ2 LYS 27 12.916 1.660 11.443 203 HZ3 LYS 27 HZ3 LYS 27 13.886 0.526 10.646 204 H ILE 28 H ILE 28 15.499 0.993 3.151 205 HA ILE 28 HA ILE 28 13.612 0.011 1.357 206 HB ILE 28 HB ILE 28 16.588 0.400 1.052 207 HG12 ILE 28 HG12 ILE 28 14.248 1.992 -0.011 208 HG13 ILE 28 HG13 ILE 28 15.210 2.433 1.396 209 HG21 ILE 28 HG21 ILE 28 14.558 -0.427 -1.003 210 HG22 ILE 28 HG22 ILE 28 16.062 -1.234 -0.567 211 HG23 ILE 28 HG23 ILE 28 16.106 0.304 -1.427 212 HD11 ILE 28 HD11 ILE 28 17.190 2.613 -0.037 213 HD12 ILE 28 HD12 ILE 28 15.898 3.707 -0.537 214 HD13 ILE 28 HD13 ILE 28 16.194 2.219 -1.437 215 H GLU 29 H GLU 29 16.734 -1.526 2.158 216 HA GLU 29 HA GLU 29 16.082 -3.954 0.842 217 HB2 GLU 29 HB2 GLU 29 18.194 -3.601 2.973 218 HB3 GLU 29 HB3 GLU 29 18.166 -4.782 1.672 219 HG2 GLU 29 HG2 GLU 29 18.373 -1.813 1.221 220 HG3 GLU 29 HG3 GLU 29 19.765 -2.883 1.355 221 H MET 30 H MET 30 15.315 -2.711 3.899 222 HA MET 30 HA MET 30 14.952 -5.206 5.257 223 HB2 MET 30 HB2 MET 30 15.384 -3.148 6.500 224 HB3 MET 30 HB3 MET 30 13.917 -2.431 5.859 225 HG2 MET 30 HG2 MET 30 13.411 -3.100 8.035 226 HG3 MET 30 HG3 MET 30 12.656 -4.288 6.986 227 HE1 MET 30 HE1 MET 30 12.451 -6.467 7.982 228 HE2 MET 30 HE2 MET 30 13.848 -7.518 8.234 229 HE3 MET 30 HE3 MET 30 13.576 -6.768 6.659 230 H GLY 31 H GLY 31 12.913 -2.873 3.559 231 HA2 GLY 31 HA2 GLY 31 10.594 -4.641 3.896 232 HA3 GLY 31 HA3 GLY 31 10.548 -2.960 3.392 233 H ARG 32 H ARG 32 12.700 -5.383 1.958 234 HA ARG 32 HA ARG 32 11.044 -5.196 -0.468 235 HB2 ARG 32 HB2 ARG 32 12.889 -4.899 -1.868 236 HB3 ARG 32 HB3 ARG 32 13.248 -3.869 -0.491 237 HG2 ARG 32 HG2 ARG 32 14.784 -5.497 0.388 238 HG3 ARG 32 HG3 ARG 32 14.351 -6.641 -0.884 239 HD2 ARG 32 HD2 ARG 32 15.749 -3.989 -1.194 240 HD3 ARG 32 HD3 ARG 32 16.427 -5.592 -1.478 241 HE ARG 32 HE ARG 32 14.501 -5.634 -3.249 242 HH11 ARG 32 HH11 ARG 32 16.686 -2.988 -2.425 243 HH12 ARG 32 HH12 ARG 32 16.546 -2.235 -4.075 244 HH21 ARG 32 HH21 ARG 32 14.318 -4.708 -5.331 245 HH22 ARG 32 HH22 ARG 32 15.232 -3.188 -5.691 246 H ASN 33 H ASN 33 10.738 -6.998 -1.644 247 HA ASN 33 HA ASN 33 10.570 -9.197 -2.164 248 HB2 ASN 33 HB2 ASN 33 13.318 -8.714 -1.815 249 HB3 ASN 33 HB3 ASN 33 12.994 -10.228 -0.974 250 HD21 ASN 33 HD21 ASN 33 12.897 -8.577 -4.043 251 HD22 ASN 33 HD22 ASN 33 12.785 -9.995 -5.024 252 H CYS 34 H CYS 34 9.876 -8.135 0.600 253 HA CYS 34 HA CYS 34 10.035 -10.629 2.130 254 HB2 CYS 34 HB2 CYS 34 8.951 -8.972 3.899 255 HB3 CYS 34 HB3 CYS 34 10.681 -8.984 3.595 256 HG CYS 34 HG CYS 34 10.475 -6.397 3.568 257 H LYS 35 H LYS 35 8.173 -11.561 3.055 258 HA LYS 35 HA LYS 35 5.890 -11.470 1.338 259 HB2 LYS 35 HB2 LYS 35 5.006 -13.149 3.118 260 HB3 LYS 35 HB3 LYS 35 6.313 -13.627 2.049 261 HG2 LYS 35 HG2 LYS 35 7.937 -13.223 3.800 262 HG3 LYS 35 HG3 LYS 35 6.666 -12.622 4.868 263 HD2 LYS 35 HD2 LYS 35 5.740 -14.746 5.152 264 HD3 LYS 35 HD3 LYS 35 6.522 -15.384 3.705 265 HE2 LYS 35 HE2 LYS 35 8.710 -15.121 4.846 266 HE3 LYS 35 HE3 LYS 35 7.850 -14.643 6.307 267 HZ1 LYS 35 HZ1 LYS 35 6.729 -16.816 6.258 268 HZ2 LYS 35 HZ2 LYS 35 8.409 -16.957 6.408 269 HZ3 LYS 35 HZ3 LYS 35 7.666 -17.258 4.918 270 H ILE 36 H ILE 36 5.184 -9.298 1.665 271 HA ILE 36 HA ILE 36 4.133 -8.503 4.224 272 HB ILE 36 HB ILE 36 3.608 -7.238 1.528 273 HG12 ILE 36 HG12 ILE 36 6.018 -7.317 1.916 274 HG13 ILE 36 HG13 ILE 36 5.428 -5.671 2.084 275 HG21 ILE 36 HG21 ILE 36 3.073 -5.244 2.798 276 HG22 ILE 36 HG22 ILE 36 3.450 -6.076 4.304 277 HG23 ILE 36 HG23 ILE 36 2.071 -6.590 3.335 278 HD11 ILE 36 HD11 ILE 36 6.303 -7.557 4.229 279 HD12 ILE 36 HD12 ILE 36 5.347 -6.113 4.569 280 HD13 ILE 36 HD13 ILE 36 6.941 -5.959 3.829 281 H VAL 37 H VAL 37 2.170 -9.041 4.982 282 HA VAL 37 HA VAL 37 0.227 -10.171 3.084 283 HB VAL 37 HB VAL 37 0.088 -10.384 6.087 284 HG11 VAL 37 HG11 VAL 37 -1.519 -12.077 5.717 285 HG12 VAL 37 HG12 VAL 37 -1.174 -12.119 3.989 286 HG13 VAL 37 HG13 VAL 37 -1.966 -10.711 4.694 287 HG21 VAL 37 HG21 VAL 37 1.296 -12.361 4.147 288 HG22 VAL 37 HG22 VAL 37 1.031 -12.645 5.868 289 HG23 VAL 37 HG23 VAL 37 2.178 -11.413 5.344 290 H THR 38 H THR 38 -1.446 -8.967 2.531 291 HA THR 38 HA THR 38 -2.229 -6.746 4.288 292 HB THR 38 HB THR 38 -2.707 -7.053 1.313 293 HG1 THR 38 HG1 THR 38 -0.932 -5.917 1.076 294 HG21 THR 38 HG21 THR 38 -4.516 -5.782 2.107 295 HG22 THR 38 HG22 THR 38 -3.339 -4.578 1.587 296 HG23 THR 38 HG23 THR 38 -3.516 -4.952 3.299 297 H GLU 39 H GLU 39 -3.850 -7.411 5.554 298 HA GLU 39 HA GLU 39 -5.883 -9.215 4.482 299 HB2 GLU 39 HB2 GLU 39 -5.530 -8.168 7.296 300 HB3 GLU 39 HB3 GLU 39 -6.644 -9.434 6.788 301 HG2 GLU 39 HG2 GLU 39 -4.113 -10.228 5.887 302 HG3 GLU 39 HG3 GLU 39 -3.884 -9.632 7.533 303 H VAL 40 H VAL 40 -7.633 -8.418 3.578 304 HA VAL 40 HA VAL 40 -8.542 -5.726 4.358 305 HB VAL 40 HB VAL 40 -9.082 -7.253 1.812 306 HG11 VAL 40 HG11 VAL 40 -10.884 -5.705 2.486 307 HG12 VAL 40 HG12 VAL 40 -10.089 -5.246 0.981 308 HG13 VAL 40 HG13 VAL 40 -9.710 -4.384 2.472 309 HG21 VAL 40 HG21 VAL 40 -6.763 -6.578 1.944 310 HG22 VAL 40 HG22 VAL 40 -7.240 -4.932 2.353 311 HG23 VAL 40 HG23 VAL 40 -7.612 -5.586 0.759 312 H VAL 41 H VAL 41 -10.465 -5.472 5.272 313 HA VAL 41 HA VAL 41 -12.371 -7.722 5.204 314 HB VAL 41 HB VAL 41 -12.034 -5.600 7.338 315 HG11 VAL 41 HG11 VAL 41 -14.338 -6.133 7.260 316 HG12 VAL 41 HG12 VAL 41 -13.666 -7.059 8.604 317 HG13 VAL 41 HG13 VAL 41 -14.010 -7.855 7.069 318 HG21 VAL 41 HG21 VAL 41 -10.263 -7.358 7.264 319 HG22 VAL 41 HG22 VAL 41 -11.521 -8.565 7.541 320 HG23 VAL 41 HG23 VAL 41 -11.198 -7.332 8.758 321 H GLN 42 H GLN 42 -14.380 -7.346 4.424 322 HA GLN 42 HA GLN 42 -14.952 -4.772 3.242 323 HB2 GLN 42 HB2 GLN 42 -15.508 -6.816 2.012 324 HB3 GLN 42 HB3 GLN 42 -16.577 -7.332 3.308 325 HG2 GLN 42 HG2 GLN 42 -18.089 -6.473 1.834 326 HG3 GLN 42 HG3 GLN 42 -17.767 -5.053 2.829 327 HE21 GLN 42 HE21 GLN 42 -18.279 -3.580 1.268 328 HE22 GLN 42 HE22 GLN 42 -17.327 -3.333 -0.150 329 H ASN 43 H ASN 43 -15.730 -3.199 4.486 330 HA ASN 43 HA ASN 43 -17.943 -3.837 6.316 331 HB2 ASN 43 HB2 ASN 43 -15.919 -3.466 7.651 332 HB3 ASN 43 HB3 ASN 43 -15.647 -1.929 6.839 333 HD21 ASN 43 HD21 ASN 43 -15.826 -0.555 8.499 334 HD22 ASN 43 HD22 ASN 43 -17.252 -0.358 9.460 335 H GLY 44 H GLY 44 -19.147 -3.223 4.342 336 HA2 GLY 44 HA2 GLY 44 -20.513 -1.710 3.269 337 HA3 GLY 44 HA3 GLY 44 -20.027 -0.524 4.479 338 H ASN 45 H ASN 45 -18.526 0.976 3.982 339 HA ASN 45 HA ASN 45 -17.235 0.740 1.346 340 HB2 ASN 45 HB2 ASN 45 -18.858 2.899 2.441 341 HB3 ASN 45 HB3 ASN 45 -17.273 3.452 1.911 342 HD21 ASN 45 HD21 ASN 45 -18.911 0.710 0.495 343 HD22 ASN 45 HD22 ASN 45 -19.236 1.454 -1.033 344 H ASP 46 H ASP 46 -16.699 0.385 4.416 345 HA ASP 46 HA ASP 46 -14.193 1.891 4.581 346 HB2 ASP 46 HB2 ASP 46 -15.792 2.021 6.469 347 HB3 ASP 46 HB3 ASP 46 -15.682 0.279 6.676 348 H PHE 47 H PHE 47 -12.579 0.832 3.626 349 HA PHE 47 HA PHE 47 -12.434 -2.084 3.932 350 HB2 PHE 47 HB2 PHE 47 -11.088 -0.187 1.994 351 HB3 PHE 47 HB3 PHE 47 -10.677 -1.896 2.122 352 HD1 PHE 47 HD1 PHE 47 -13.374 0.474 1.269 353 HD2 PHE 47 HD2 PHE 47 -12.033 -3.564 1.139 354 HE1 PHE 47 HE1 PHE 47 -15.202 -0.076 -0.279 355 HE2 PHE 47 HE2 PHE 47 -13.862 -4.125 -0.408 356 HZ PHE 47 HZ PHE 47 -15.454 -2.379 -1.123 357 H THR 48 H THR 48 -10.951 -2.969 5.206 358 HA THR 48 HA THR 48 -9.136 -1.217 6.641 359 HB THR 48 HB THR 48 -8.710 -3.156 8.064 360 HG1 THR 48 HG1 THR 48 -8.878 -4.746 6.390 361 HG21 THR 48 HG21 THR 48 -10.881 -3.382 9.036 362 HG22 THR 48 HG22 THR 48 -11.667 -2.990 7.510 363 HG23 THR 48 HG23 THR 48 -10.769 -1.746 8.382 364 H TRP 49 H TRP 49 -7.086 -0.930 5.992 365 HA TRP 49 HA TRP 49 -5.906 -2.998 4.277 366 HB2 TRP 49 HB2 TRP 49 -5.941 -0.192 4.053 367 HB3 TRP 49 HB3 TRP 49 -4.299 -0.595 4.536 368 HD1 TRP 49 HD1 TRP 49 -2.757 -0.919 2.544 369 HE1 TRP 49 HE1 TRP 49 -2.998 -1.715 0.101 370 HE3 TRP 49 HE3 TRP 49 -7.747 -2.010 2.555 371 HZ2 TRP 49 HZ2 TRP 49 -5.049 -2.687 -1.583 372 HZ3 TRP 49 HZ3 TRP 49 -8.774 -2.866 0.490 373 HH2 TRP 49 HH2 TRP 49 -7.451 -3.198 -1.536 374 H THR 50 H THR 50 -5.058 -4.454 5.663 375 HA THR 50 HA THR 50 -3.380 -3.485 7.872 376 HB THR 50 HB THR 50 -4.260 -6.327 7.392 377 HG1 THR 50 HG1 THR 50 -6.215 -5.607 7.802 378 HG21 THR 50 HG21 THR 50 -2.438 -5.982 9.003 379 HG22 THR 50 HG22 THR 50 -3.907 -6.551 9.797 380 HG23 THR 50 HG23 THR 50 -3.451 -4.851 9.900 381 H GLN 51 H GLN 51 -1.227 -3.514 7.601 382 HA GLN 51 HA GLN 51 -0.102 -5.307 5.550 383 HB2 GLN 51 HB2 GLN 51 0.685 -2.595 6.556 384 HB3 GLN 51 HB3 GLN 51 1.927 -3.673 5.940 385 HG2 GLN 51 HG2 GLN 51 1.306 -2.259 4.166 386 HG3 GLN 51 HG3 GLN 51 0.602 -3.837 3.823 387 HE21 GLN 51 HE21 GLN 51 -1.558 -4.023 3.602 388 HE22 GLN 51 HE22 GLN 51 -2.664 -2.704 3.754 389 H HIS 52 H HIS 52 0.844 -7.041 6.378 390 HA HIS 52 HA HIS 52 1.941 -6.886 9.096 391 HB2 HIS 52 HB2 HIS 52 1.130 -9.246 7.388 392 HB3 HIS 52 HB3 HIS 52 1.966 -9.407 8.928 393 HD2 HIS 52 HD2 HIS 52 -1.522 -9.353 7.607 394 HE1 HIS 52 HE1 HIS 52 -1.795 -8.222 11.675 395 HE2 HIS 52 HE2 HIS 52 -3.057 -9.178 9.700 396 H PHE 53 H PHE 53 4.010 -7.118 9.504 397 HA PHE 53 HA PHE 53 5.794 -7.541 7.205 398 HB2 PHE 53 HB2 PHE 53 5.744 -5.274 8.510 399 HB3 PHE 53 HB3 PHE 53 6.638 -6.163 9.739 400 HD1 PHE 53 HD1 PHE 53 6.807 -6.276 6.033 401 HD2 PHE 53 HD2 PHE 53 8.806 -5.416 9.675 402 HE1 PHE 53 HE1 PHE 53 8.903 -5.898 4.792 403 HE2 PHE 53 HE2 PHE 53 10.906 -5.043 8.455 404 HZ PHE 53 HZ PHE 53 10.955 -5.283 6.003 405 HA PRO 54 HA PRO 54 6.805 -11.330 9.364 406 HB2 PRO 54 HB2 PRO 54 8.989 -11.930 7.783 407 HB3 PRO 54 HB3 PRO 54 7.310 -12.300 7.346 408 HG2 PRO 54 HG2 PRO 54 9.031 -10.039 6.476 409 HG3 PRO 54 HG3 PRO 54 7.872 -11.003 5.539 410 HD2 PRO 54 HD2 PRO 54 7.273 -8.545 6.414 411 HD3 PRO 54 HD3 PRO 54 6.048 -9.829 6.330 412 H GLY 55 H GLY 55 7.692 -11.099 11.296 413 HA2 GLY 55 HA2 GLY 55 9.297 -10.887 12.917 414 HA3 GLY 55 HA3 GLY 55 10.494 -10.880 11.636 415 H GLY 56 H GLY 56 7.955 -8.491 11.624 416 HA2 GLY 56 HA2 GLY 56 9.739 -6.525 12.868 417 HA3 GLY 56 HA3 GLY 56 9.268 -6.255 11.203 418 H ARG 57 H ARG 57 8.447 -4.235 12.136 419 HA ARG 57 HA ARG 57 6.199 -4.302 13.901 420 HB2 ARG 57 HB2 ARG 57 6.096 -1.888 13.563 421 HB3 ARG 57 HB3 ARG 57 7.751 -2.395 13.866 422 HG2 ARG 57 HG2 ARG 57 8.207 -1.054 12.120 423 HG3 ARG 57 HG3 ARG 57 7.722 -2.458 11.169 424 HD2 ARG 57 HD2 ARG 57 6.223 -1.117 10.203 425 HD3 ARG 57 HD3 ARG 57 5.334 -1.199 11.719 426 HE ARG 57 HE ARG 57 7.359 0.892 11.308 427 HH11 ARG 57 HH11 ARG 57 4.004 -0.058 11.883 428 HH12 ARG 57 HH12 ARG 57 3.471 1.638 12.229 429 HH21 ARG 57 HH21 ARG 57 6.701 3.048 11.731 430 HH22 ARG 57 HH22 ARG 57 4.966 3.351 12.137 431 H THR 58 H THR 58 4.061 -3.876 13.458 432 HA THR 58 HA THR 58 3.229 -4.465 10.700 433 HB THR 58 HB THR 58 2.437 -5.941 12.597 434 HG1 THR 58 HG1 THR 58 0.986 -6.293 11.114 435 HG21 THR 58 HG21 THR 58 1.119 -3.375 13.391 436 HG22 THR 58 HG22 THR 58 1.954 -4.564 14.394 437 HG23 THR 58 HG23 THR 58 0.350 -4.918 13.749 438 H THR 59 H THR 59 1.276 -3.372 9.921 439 HA THR 59 HA THR 59 0.766 -0.723 11.056 440 HB THR 59 HB THR 59 0.968 -0.571 8.147 441 HG1 THR 59 HG1 THR 59 2.808 -2.048 9.130 442 HG21 THR 59 HG21 THR 59 2.299 1.440 8.706 443 HG22 THR 59 HG22 THR 59 2.258 0.976 10.407 444 HG23 THR 59 HG23 THR 59 0.762 1.392 9.570 445 H THR 60 H THR 60 -1.395 -0.249 10.925 446 HA THR 60 HA THR 60 -3.002 -1.674 8.926 447 HB THR 60 HB THR 60 -3.881 -1.427 11.805 448 HG1 THR 60 HG1 THR 60 -2.240 -3.291 10.562 449 HG21 THR 60 HG21 THR 60 -5.578 -1.689 9.928 450 HG22 THR 60 HG22 THR 60 -5.642 -2.898 11.209 451 HG23 THR 60 HG23 THR 60 -4.891 -3.294 9.663 452 H ASN 61 H ASN 61 -4.126 -0.244 7.804 453 HA ASN 61 HA ASN 61 -5.181 2.142 9.167 454 HB2 ASN 61 HB2 ASN 61 -4.230 2.317 6.328 455 HB3 ASN 61 HB3 ASN 61 -4.502 3.615 7.485 456 HD21 ASN 61 HD21 ASN 61 -2.279 1.371 6.176 457 HD22 ASN 61 HD22 ASN 61 -0.904 1.867 7.100 458 H SER 62 H SER 62 -7.265 2.069 9.069 459 HA SER 62 HA SER 62 -8.584 0.715 6.844 460 HB2 SER 62 HB2 SER 62 -9.610 1.755 9.493 461 HB3 SER 62 HB3 SER 62 -10.594 0.896 8.303 462 HG SER 62 HG SER 62 -8.899 -0.088 10.165 463 H PHE 63 H PHE 63 -10.164 1.795 5.570 464 HA PHE 63 HA PHE 63 -10.410 4.678 5.946 465 HB2 PHE 63 HB2 PHE 63 -9.881 5.091 3.534 466 HB3 PHE 63 HB3 PHE 63 -8.496 4.578 4.494 467 HD1 PHE 63 HD1 PHE 63 -10.874 3.601 1.879 468 HD2 PHE 63 HD2 PHE 63 -7.433 2.469 4.106 469 HE1 PHE 63 HE1 PHE 63 -10.472 1.755 0.311 470 HE2 PHE 63 HE2 PHE 63 -7.016 0.622 2.534 471 HZ PHE 63 HZ PHE 63 -8.541 0.260 0.633 472 H THR 64 H THR 64 -12.262 5.537 5.187 473 HA THR 64 HA THR 64 -14.186 3.661 4.018 474 HB THR 64 HB THR 64 -14.598 6.214 5.586 475 HG1 THR 64 HG1 THR 64 -14.216 3.814 6.445 476 HG21 THR 64 HG21 THR 64 -16.244 5.906 3.707 477 HG22 THR 64 HG22 THR 64 -16.954 5.958 5.320 478 HG23 THR 64 HG23 THR 64 -16.756 4.412 4.494 479 H ILE 65 H ILE 65 -14.685 3.950 1.936 480 HA ILE 65 HA ILE 65 -13.549 5.853 0.284 481 HB ILE 65 HB ILE 65 -16.197 4.475 -0.168 482 HG12 ILE 65 HG12 ILE 65 -14.430 2.856 0.339 483 HG13 ILE 65 HG13 ILE 65 -14.881 2.767 -1.360 484 HG21 ILE 65 HG21 ILE 65 -14.226 5.658 -2.116 485 HG22 ILE 65 HG22 ILE 65 -15.794 6.339 -1.686 486 HG23 ILE 65 HG23 ILE 65 -15.707 4.800 -2.540 487 HD11 ILE 65 HD11 ILE 65 -12.890 4.139 -1.899 488 HD12 ILE 65 HD12 ILE 65 -12.504 2.583 -1.162 489 HD13 ILE 65 HD13 ILE 65 -12.423 4.061 -0.200 490 H ASP 66 H ASP 66 -13.813 7.919 0.011 491 HA ASP 66 HA ASP 66 -14.742 9.971 -0.252 492 HB2 ASP 66 HB2 ASP 66 -16.834 8.636 -0.993 493 HB3 ASP 66 HB3 ASP 66 -17.436 8.951 0.627 494 H LYS 67 H LYS 67 -13.789 8.659 2.238 495 HA LYS 67 HA LYS 67 -14.674 10.715 4.126 496 HB2 LYS 67 HB2 LYS 67 -15.946 8.853 4.836 497 HB3 LYS 67 HB3 LYS 67 -14.605 7.748 4.565 498 HG2 LYS 67 HG2 LYS 67 -14.836 7.990 6.897 499 HG3 LYS 67 HG3 LYS 67 -13.402 8.901 6.442 500 HD2 LYS 67 HD2 LYS 67 -14.964 10.935 6.352 501 HD3 LYS 67 HD3 LYS 67 -16.110 9.927 7.240 502 HE2 LYS 67 HE2 LYS 67 -14.335 9.537 8.944 503 HE3 LYS 67 HE3 LYS 67 -13.321 10.699 8.092 504 HZ1 LYS 67 HZ1 LYS 67 -15.834 11.183 9.562 505 HZ2 LYS 67 HZ2 LYS 67 -15.264 12.288 8.413 506 HZ3 LYS 67 HZ3 LYS 67 -14.324 11.918 9.770 507 H GLU 68 H GLU 68 -13.066 11.457 5.495 508 HA GLU 68 HA GLU 68 -10.355 11.026 4.737 509 HB2 GLU 68 HB2 GLU 68 -11.086 13.183 5.616 510 HB3 GLU 68 HB3 GLU 68 -11.550 12.434 7.138 511 HG2 GLU 68 HG2 GLU 68 -9.001 11.694 7.094 512 HG3 GLU 68 HG3 GLU 68 -8.872 13.155 6.115 513 H ALA 69 H ALA 69 -8.899 9.609 5.540 514 HA ALA 69 HA ALA 69 -9.722 8.041 7.901 515 HB1 ALA 69 HB1 ALA 69 -9.892 6.688 5.908 516 HB2 ALA 69 HB2 ALA 69 -8.546 6.124 6.897 517 HB3 ALA 69 HB3 ALA 69 -8.234 7.091 5.457 518 H ASP 70 H ASP 70 -8.132 7.375 9.331 519 HA ASP 70 HA ASP 70 -5.794 9.101 9.463 520 HB2 ASP 70 HB2 ASP 70 -6.397 6.886 11.417 521 HB3 ASP 70 HB3 ASP 70 -5.594 8.424 11.711 522 H MET 71 H MET 71 -3.909 8.453 8.583 523 HA MET 71 HA MET 71 -3.496 5.551 8.285 524 HB2 MET 71 HB2 MET 71 -2.602 7.697 6.371 525 HB3 MET 71 HB3 MET 71 -2.388 5.961 6.175 526 HG2 MET 71 HG2 MET 71 -4.592 5.605 5.695 527 HG3 MET 71 HG3 MET 71 -5.121 7.056 6.542 528 HE1 MET 71 HE1 MET 71 -6.581 6.666 4.337 529 HE2 MET 71 HE2 MET 71 -6.351 7.849 3.047 530 HE3 MET 71 HE3 MET 71 -6.563 8.392 4.714 531 H GLU 72 H GLU 72 -1.296 4.875 8.061 532 HA GLU 72 HA GLU 72 0.829 6.632 8.937 533 HB2 GLU 72 HB2 GLU 72 0.187 5.928 11.105 534 HB3 GLU 72 HB3 GLU 72 -0.198 4.301 10.559 535 HG2 GLU 72 HG2 GLU 72 2.228 3.938 10.155 536 HG3 GLU 72 HG3 GLU 72 2.543 5.505 10.892 537 H THR 73 H THR 73 2.846 5.862 8.271 538 HA THR 73 HA THR 73 2.711 3.598 6.416 539 HB THR 73 HB THR 73 4.691 4.467 5.373 540 HG1 THR 73 HG1 THR 73 6.007 5.820 6.370 541 HG21 THR 73 HG21 THR 73 3.594 7.101 5.592 542 HG22 THR 73 HG22 THR 73 2.277 5.926 5.581 543 HG23 THR 73 HG23 THR 73 3.447 5.950 4.265 544 H MET 74 H MET 74 4.998 2.500 6.238 545 HA MET 74 HA MET 74 5.429 1.291 8.803 546 HB2 MET 74 HB2 MET 74 6.555 0.844 6.053 547 HB3 MET 74 HB3 MET 74 7.273 0.065 7.452 548 HG2 MET 74 HG2 MET 74 5.064 -0.942 7.962 549 HG3 MET 74 HG3 MET 74 4.455 -0.253 6.460 550 HE1 MET 74 HE1 MET 74 3.729 -2.915 6.194 551 HE2 MET 74 HE2 MET 74 4.719 -3.454 7.551 552 HE3 MET 74 HE3 MET 74 4.911 -4.205 5.965 553 H GLY 75 H GLY 75 6.780 3.901 7.062 554 HA2 GLY 75 HA2 GLY 75 9.386 3.763 8.301 555 HA3 GLY 75 HA3 GLY 75 8.785 5.048 7.265 556 H GLY 76 H GLY 76 6.367 4.711 9.349 557 HA2 GLY 76 HA2 GLY 76 5.950 5.486 11.533 558 HA3 GLY 76 HA3 GLY 76 7.569 6.161 11.584 559 H ARG 77 H ARG 77 4.888 6.597 9.298 560 HA ARG 77 HA ARG 77 5.068 9.487 9.814 561 HB2 ARG 77 HB2 ARG 77 3.955 8.193 7.331 562 HB3 ARG 77 HB3 ARG 77 4.313 9.892 7.579 563 HG2 ARG 77 HG2 ARG 77 6.685 9.376 7.691 564 HG3 ARG 77 HG3 ARG 77 6.332 7.670 7.446 565 HD2 ARG 77 HD2 ARG 77 6.603 8.117 5.267 566 HD3 ARG 77 HD3 ARG 77 5.008 8.840 5.363 567 HE ARG 77 HE ARG 77 5.998 10.977 5.443 568 HH11 ARG 77 HH11 ARG 77 8.323 8.358 5.040 569 HH12 ARG 77 HH12 ARG 77 9.646 9.475 4.528 570 HH21 ARG 77 HH21 ARG 77 7.663 12.407 4.781 571 HH22 ARG 77 HH22 ARG 77 9.276 11.715 4.364 572 H LYS 78 H LYS 78 3.393 10.380 10.802 573 HA LYS 78 HA LYS 78 0.845 8.920 10.865 574 HB2 LYS 78 HB2 LYS 78 1.663 11.289 12.554 575 HB3 LYS 78 HB3 LYS 78 0.300 10.216 12.821 576 HG2 LYS 78 HG2 LYS 78 3.166 9.311 12.938 577 HG3 LYS 78 HG3 LYS 78 2.243 9.848 14.341 578 HD2 LYS 78 HD2 LYS 78 0.569 8.089 13.854 579 HD3 LYS 78 HD3 LYS 78 1.605 7.517 12.547 580 HE2 LYS 78 HE2 LYS 78 3.267 6.800 14.014 581 HE3 LYS 78 HE3 LYS 78 2.654 7.795 15.333 582 HZ1 LYS 78 HZ1 LYS 78 1.413 5.331 14.234 583 HZ2 LYS 78 HZ2 LYS 78 0.663 6.344 15.367 584 HZ3 LYS 78 HZ3 LYS 78 2.096 5.537 15.771 585 H PHE 79 H PHE 79 -0.786 9.638 9.578 586 HA PHE 79 HA PHE 79 -1.175 12.465 9.114 587 HB2 PHE 79 HB2 PHE 79 -0.855 12.351 6.668 588 HB3 PHE 79 HB3 PHE 79 0.635 11.965 7.526 589 HD1 PHE 79 HD1 PHE 79 1.460 9.657 7.616 590 HD2 PHE 79 HD2 PHE 79 -1.964 10.705 5.315 591 HE1 PHE 79 HE1 PHE 79 1.607 7.516 6.424 592 HE2 PHE 79 HE2 PHE 79 -1.814 8.567 4.119 593 HZ PHE 79 HZ PHE 79 -0.032 6.962 4.677 594 H LYS 80 H LYS 80 -2.930 12.761 7.369 595 HA LYS 80 HA LYS 80 -4.840 10.547 7.357 596 HB2 LYS 80 HB2 LYS 80 -5.312 13.415 8.131 597 HB3 LYS 80 HB3 LYS 80 -6.618 12.399 7.537 598 HG2 LYS 80 HG2 LYS 80 -6.855 11.437 9.505 599 HG3 LYS 80 HG3 LYS 80 -5.138 11.075 9.617 600 HD2 LYS 80 HD2 LYS 80 -4.660 12.991 10.757 601 HD3 LYS 80 HD3 LYS 80 -6.024 13.871 10.063 602 HE2 LYS 80 HE2 LYS 80 -6.082 11.798 12.250 603 HE3 LYS 80 HE3 LYS 80 -6.487 13.508 12.379 604 HZ1 LYS 80 HZ1 LYS 80 -8.234 12.777 10.527 605 HZ2 LYS 80 HZ2 LYS 80 -8.561 12.675 12.184 606 HZ3 LYS 80 HZ3 LYS 80 -8.070 11.293 11.337 607 H ALA 81 H ALA 81 -6.267 10.553 5.575 608 HA ALA 81 HA ALA 81 -5.950 12.533 3.495 609 HB1 ALA 81 HB1 ALA 81 -3.995 11.012 3.182 610 HB2 ALA 81 HB2 ALA 81 -5.084 11.085 1.797 611 HB3 ALA 81 HB3 ALA 81 -5.130 9.695 2.882 612 H THR 82 H THR 82 -7.399 12.101 1.662 613 HA THR 82 HA THR 82 -9.773 10.651 2.578 614 HB THR 82 HB THR 82 -9.853 12.430 0.182 615 HG1 THR 82 HG1 THR 82 -9.038 13.999 1.376 616 HG21 THR 82 HG21 THR 82 -11.737 11.850 2.471 617 HG22 THR 82 HG22 THR 82 -11.863 11.245 0.816 618 HG23 THR 82 HG23 THR 82 -12.079 12.966 1.146 619 H VAL 83 H VAL 83 -10.521 8.913 1.486 620 HA VAL 83 HA VAL 83 -9.089 8.167 -0.979 621 HB VAL 83 HB VAL 83 -10.250 6.297 1.100 622 HG11 VAL 83 HG11 VAL 83 -10.280 5.410 -1.175 623 HG12 VAL 83 HG12 VAL 83 -9.117 4.556 -0.161 624 HG13 VAL 83 HG13 VAL 83 -8.555 5.752 -1.330 625 HG21 VAL 83 HG21 VAL 83 -7.351 6.850 0.503 626 HG22 VAL 83 HG22 VAL 83 -8.004 5.806 1.764 627 HG23 VAL 83 HG23 VAL 83 -8.235 7.552 1.858 628 H LYS 84 H LYS 84 -10.300 7.676 -2.710 629 HA LYS 84 HA LYS 84 -13.202 7.379 -2.333 630 HB2 LYS 84 HB2 LYS 84 -13.484 8.641 -4.495 631 HB3 LYS 84 HB3 LYS 84 -12.880 9.616 -3.159 632 HG2 LYS 84 HG2 LYS 84 -10.547 8.971 -4.158 633 HG3 LYS 84 HG3 LYS 84 -11.489 8.700 -5.622 634 HD2 LYS 84 HD2 LYS 84 -12.237 10.960 -5.654 635 HD3 LYS 84 HD3 LYS 84 -11.594 11.260 -4.034 636 HE2 LYS 84 HE2 LYS 84 -9.330 10.948 -4.858 637 HE3 LYS 84 HE3 LYS 84 -9.941 10.574 -6.469 638 HZ1 LYS 84 HZ1 LYS 84 -10.207 13.169 -5.045 639 HZ2 LYS 84 HZ2 LYS 84 -10.889 12.816 -6.550 640 HZ3 LYS 84 HZ3 LYS 84 -9.210 12.847 -6.378 641 H MET 85 H MET 85 -14.121 6.572 -4.596 642 HA MET 85 HA MET 85 -12.291 4.494 -5.586 643 HB2 MET 85 HB2 MET 85 -14.791 4.159 -4.212 644 HB3 MET 85 HB3 MET 85 -14.953 3.569 -5.858 645 HG2 MET 85 HG2 MET 85 -12.977 2.147 -5.512 646 HG3 MET 85 HG3 MET 85 -12.885 2.719 -3.845 647 HE1 MET 85 HE1 MET 85 -13.253 0.658 -2.374 648 HE2 MET 85 HE2 MET 85 -12.770 -0.121 -3.885 649 HE3 MET 85 HE3 MET 85 -14.136 -0.754 -2.964 650 H GLU 86 H GLU 86 -12.147 4.330 -7.752 651 HA GLU 86 HA GLU 86 -14.083 5.874 -9.343 652 HB2 GLU 86 HB2 GLU 86 -12.122 6.152 -10.971 653 HB3 GLU 86 HB3 GLU 86 -12.113 7.121 -9.507 654 HG2 GLU 86 HG2 GLU 86 -10.463 5.749 -8.502 655 HG3 GLU 86 HG3 GLU 86 -10.627 4.528 -9.765 656 H GLY 87 H GLY 87 -15.339 3.985 -9.682 657 HA2 GLY 87 HA2 GLY 87 -16.034 2.331 -11.135 658 HA3 GLY 87 HA3 GLY 87 -14.522 2.521 -12.005 659 H GLY 88 H GLY 88 -15.031 1.682 -8.601 660 HA2 GLY 88 HA2 GLY 88 -14.730 -0.366 -7.534 661 HA3 GLY 88 HA3 GLY 88 -14.326 -1.087 -9.084 662 H LYS 89 H LYS 89 -12.574 1.715 -8.596 663 HA LYS 89 HA LYS 89 -10.241 0.177 -7.661 664 HB2 LYS 89 HB2 LYS 89 -10.159 2.728 -9.260 665 HB3 LYS 89 HB3 LYS 89 -8.836 1.627 -8.941 666 HG2 LYS 89 HG2 LYS 89 -9.659 0.056 -10.475 667 HG3 LYS 89 HG3 LYS 89 -11.241 0.835 -10.517 668 HD2 LYS 89 HD2 LYS 89 -9.928 1.304 -12.542 669 HD3 LYS 89 HD3 LYS 89 -10.303 2.763 -11.633 670 HE2 LYS 89 HE2 LYS 89 -7.989 2.409 -10.544 671 HE3 LYS 89 HE3 LYS 89 -7.679 1.343 -11.907 672 HZ1 LYS 89 HZ1 LYS 89 -8.382 4.225 -12.036 673 HZ2 LYS 89 HZ2 LYS 89 -8.223 3.212 -13.386 674 HZ3 LYS 89 HZ3 LYS 89 -6.883 3.528 -12.401 675 H ILE 90 H ILE 90 -9.318 0.836 -5.811 676 HA ILE 90 HA ILE 90 -10.469 3.119 -4.442 677 HB ILE 90 HB ILE 90 -8.192 1.450 -3.407 678 HG12 ILE 90 HG12 ILE 90 -11.086 0.740 -3.673 679 HG13 ILE 90 HG13 ILE 90 -9.670 -0.284 -3.860 680 HG21 ILE 90 HG21 ILE 90 -10.427 2.963 -2.078 681 HG22 ILE 90 HG22 ILE 90 -8.740 3.472 -2.196 682 HG23 ILE 90 HG23 ILE 90 -9.166 2.048 -1.247 683 HD11 ILE 90 HD11 ILE 90 -9.377 -0.075 -1.342 684 HD12 ILE 90 HD12 ILE 90 -10.747 -1.023 -1.910 685 HD13 ILE 90 HD13 ILE 90 -10.999 0.618 -1.319 686 H VAL 91 H VAL 91 -9.688 5.106 -4.808 687 HA VAL 91 HA VAL 91 -6.808 5.354 -5.369 688 HB VAL 91 HB VAL 91 -8.050 5.970 -7.336 689 HG11 VAL 91 HG11 VAL 91 -9.792 7.545 -7.431 690 HG12 VAL 91 HG12 VAL 91 -9.498 8.073 -5.776 691 HG13 VAL 91 HG13 VAL 91 -10.177 6.475 -6.080 692 HG21 VAL 91 HG21 VAL 91 -6.943 8.319 -5.835 693 HG22 VAL 91 HG22 VAL 91 -7.433 8.406 -7.526 694 HG23 VAL 91 HG23 VAL 91 -6.133 7.318 -7.038 695 H ALA 92 H ALA 92 -5.626 6.603 -4.108 696 HA ALA 92 HA ALA 92 -6.987 8.259 -2.090 697 HB1 ALA 92 HB1 ALA 92 -5.688 6.303 -1.235 698 HB2 ALA 92 HB2 ALA 92 -5.143 7.858 -0.614 699 HB3 ALA 92 HB3 ALA 92 -4.233 7.046 -1.888 700 H ASP 93 H ASP 93 -6.342 10.366 -1.843 701 HA ASP 93 HA ASP 93 -4.583 11.398 -3.948 702 HB2 ASP 93 HB2 ASP 93 -6.698 12.466 -4.017 703 HB3 ASP 93 HB3 ASP 93 -6.720 12.691 -2.270 704 H PHE 94 H PHE 94 -2.626 12.078 -3.495 705 HA PHE 94 HA PHE 94 -1.983 13.157 -0.849 706 HB2 PHE 94 HB2 PHE 94 -0.594 10.841 -2.195 707 HB3 PHE 94 HB3 PHE 94 0.185 11.809 -0.950 708 HD1 PHE 94 HD1 PHE 94 -0.680 11.778 1.349 709 HD2 PHE 94 HD2 PHE 94 -2.221 9.207 -1.668 710 HE1 PHE 94 HE1 PHE 94 -1.679 10.348 3.074 711 HE2 PHE 94 HE2 PHE 94 -3.229 7.779 0.062 712 HZ PHE 94 HZ PHE 94 -2.956 8.348 2.431 713 HA PRO 95 HA PRO 95 0.361 16.059 -3.229 714 HB2 PRO 95 HB2 PRO 95 2.447 16.567 -1.512 715 HB3 PRO 95 HB3 PRO 95 0.828 17.259 -1.350 716 HG2 PRO 95 HG2 PRO 95 2.066 15.016 0.127 717 HG3 PRO 95 HG3 PRO 95 0.929 16.254 0.694 718 HD2 PRO 95 HD2 PRO 95 0.186 13.700 0.106 719 HD3 PRO 95 HD3 PRO 95 -0.905 15.094 -0.023 720 H ASN 96 H ASN 96 1.399 15.368 -4.976 721 HA ASN 96 HA ASN 96 2.895 14.399 -6.376 722 HB2 ASN 96 HB2 ASN 96 4.397 15.849 -4.768 723 HB3 ASN 96 HB3 ASN 96 4.966 14.275 -4.219 724 HD21 ASN 96 HD21 ASN 96 6.624 16.126 -5.438 725 HD22 ASN 96 HD22 ASN 96 7.130 15.506 -6.969 726 H TYR 97 H TYR 97 1.235 12.775 -4.559 727 HA TYR 97 HA TYR 97 2.551 10.214 -5.081 728 HB2 TYR 97 HB2 TYR 97 2.952 11.063 -2.659 729 HB3 TYR 97 HB3 TYR 97 1.255 10.691 -2.407 730 HD1 TYR 97 HD1 TYR 97 0.601 8.212 -3.308 731 HD2 TYR 97 HD2 TYR 97 4.464 9.459 -2.020 732 HE1 TYR 97 HE1 TYR 97 1.192 5.876 -2.836 733 HE2 TYR 97 HE2 TYR 97 5.063 7.120 -1.545 734 HH TYR 97 HH TYR 97 4.250 5.018 -1.322 735 H HIS 98 H HIS 98 1.149 8.980 -6.126 736 HA HIS 98 HA HIS 98 -1.726 9.333 -5.559 737 HB2 HIS 98 HB2 HIS 98 -0.741 10.209 -7.832 738 HB3 HIS 98 HB3 HIS 98 -0.755 8.506 -8.272 739 HD1 HIS 98 HD1 HIS 98 -3.231 11.033 -6.857 740 HD2 HIS 98 HD2 HIS 98 -3.065 7.770 -9.426 741 HE1 HIS 98 HE1 HIS 98 -5.553 10.791 -7.794 742 HE2 HIS 98 HE2 HIS 98 -5.361 8.951 -9.500 743 H HIS 99 H HIS 99 -2.481 7.541 -4.634 744 HA HIS 99 HA HIS 99 -1.261 4.961 -5.387 745 HB2 HIS 99 HB2 HIS 99 -1.057 5.808 -2.972 746 HB3 HIS 99 HB3 HIS 99 -2.783 5.494 -2.834 747 HD2 HIS 99 HD2 HIS 99 -3.491 2.718 -3.090 748 HE1 HIS 99 HE1 HIS 99 0.431 1.441 -2.155 749 HE2 HIS 99 HE2 HIS 99 -2.017 0.775 -2.179 750 H THR 100 H THR 100 -2.514 3.591 -6.449 751 HA THR 100 HA THR 100 -5.432 3.715 -6.098 752 HB THR 100 HB THR 100 -5.665 3.111 -8.527 753 HG1 THR 100 HG1 THR 100 -3.313 2.519 -8.630 754 HG21 THR 100 HG21 THR 100 -6.194 5.343 -8.094 755 HG22 THR 100 HG22 THR 100 -4.976 5.468 -9.363 756 HG23 THR 100 HG23 THR 100 -4.533 5.756 -7.679 757 H ALA 101 H ALA 101 -6.328 1.804 -5.648 758 HA ALA 101 HA ALA 101 -4.717 -0.628 -6.087 759 HB1 ALA 101 HB1 ALA 101 -5.023 -0.159 -3.726 760 HB2 ALA 101 HB2 ALA 101 -5.945 -1.592 -4.175 761 HB3 ALA 101 HB3 ALA 101 -6.768 -0.050 -3.948 762 H GLU 102 H GLU 102 -5.598 -2.267 -7.228 763 HA GLU 102 HA GLU 102 -8.457 -2.400 -7.682 764 HB2 GLU 102 HB2 GLU 102 -8.220 -2.432 -10.154 765 HB3 GLU 102 HB3 GLU 102 -7.836 -0.866 -9.448 766 HG2 GLU 102 HG2 GLU 102 -5.391 -1.793 -9.488 767 HG3 GLU 102 HG3 GLU 102 -6.037 -2.864 -10.725 768 H ILE 103 H ILE 103 -8.924 -4.307 -9.227 769 HA ILE 103 HA ILE 103 -7.118 -6.503 -8.478 770 HB ILE 103 HB ILE 103 -10.084 -6.643 -9.049 771 HG12 ILE 103 HG12 ILE 103 -9.568 -5.571 -6.878 772 HG13 ILE 103 HG13 ILE 103 -10.354 -7.131 -6.672 773 HG21 ILE 103 HG21 ILE 103 -8.051 -8.749 -8.380 774 HG22 ILE 103 HG22 ILE 103 -9.188 -8.696 -9.729 775 HG23 ILE 103 HG23 ILE 103 -9.777 -8.985 -8.090 776 HD11 ILE 103 HD11 ILE 103 -7.969 -8.051 -6.402 777 HD12 ILE 103 HD12 ILE 103 -8.685 -7.137 -5.075 778 HD13 ILE 103 HD13 ILE 103 -7.513 -6.366 -6.145 779 H SER 104 H SER 104 -5.998 -7.327 -10.099 780 HA SER 104 HA SER 104 -7.137 -7.224 -12.811 781 HB2 SER 104 HB2 SER 104 -4.573 -7.591 -13.367 782 HB3 SER 104 HB3 SER 104 -5.202 -5.982 -13.010 783 HG SER 104 HG SER 104 -3.352 -7.411 -11.695 784 H GLY 105 H GLY 105 -8.234 -9.174 -12.758 785 HA2 GLY 105 HA2 GLY 105 -8.446 -11.426 -13.163 786 HA3 GLY 105 HA3 GLY 105 -6.714 -11.462 -13.440 787 H GLY 106 H GLY 106 -8.521 -10.648 -10.500 788 HA2 GLY 106 HA2 GLY 106 -8.706 -11.844 -8.523 789 HA3 GLY 106 HA3 GLY 106 -7.823 -13.164 -9.270 790 H LYS 107 H LYS 107 -6.264 -10.170 -9.587 791 HA LYS 107 HA LYS 107 -4.634 -10.725 -7.206 792 HB2 LYS 107 HB2 LYS 107 -3.778 -10.305 -10.028 793 HB3 LYS 107 HB3 LYS 107 -2.763 -9.656 -8.752 794 HG2 LYS 107 HG2 LYS 107 -2.344 -11.770 -7.847 795 HG3 LYS 107 HG3 LYS 107 -3.660 -12.516 -8.755 796 HD2 LYS 107 HD2 LYS 107 -2.455 -12.309 -10.808 797 HD3 LYS 107 HD3 LYS 107 -1.224 -11.296 -10.050 798 HE2 LYS 107 HE2 LYS 107 -0.399 -13.120 -8.762 799 HE3 LYS 107 HE3 LYS 107 -1.763 -14.140 -9.219 800 HZ1 LYS 107 HZ1 LYS 107 0.148 -13.080 -11.213 801 HZ2 LYS 107 HZ2 LYS 107 -0.945 -14.359 -11.387 802 HZ3 LYS 107 HZ3 LYS 107 0.417 -14.539 -10.399 803 H LEU 108 H LEU 108 -3.902 -9.000 -6.080 804 HA LEU 108 HA LEU 108 -5.273 -6.475 -6.606 805 HB2 LEU 108 HB2 LEU 108 -5.418 -7.541 -4.379 806 HB3 LEU 108 HB3 LEU 108 -3.680 -7.455 -4.223 807 HG LEU 108 HG LEU 108 -5.143 -5.754 -2.975 808 HD11 LEU 108 HD11 LEU 108 -2.770 -4.918 -4.603 809 HD12 LEU 108 HD12 LEU 108 -2.774 -5.596 -2.975 810 HD13 LEU 108 HD13 LEU 108 -3.444 -3.992 -3.263 811 HD21 LEU 108 HD21 LEU 108 -6.571 -5.033 -4.758 812 HD22 LEU 108 HD22 LEU 108 -5.183 -4.548 -5.729 813 HD23 LEU 108 HD23 LEU 108 -5.568 -3.679 -4.245 814 H VAL 109 H VAL 109 -4.242 -4.856 -7.548 815 HA VAL 109 HA VAL 109 -1.313 -4.775 -7.304 816 HB VAL 109 HB VAL 109 -1.728 -5.442 -9.544 817 HG11 VAL 109 HG11 VAL 109 -3.248 -4.423 -11.054 818 HG12 VAL 109 HG12 VAL 109 -3.577 -3.101 -9.935 819 HG13 VAL 109 HG13 VAL 109 -4.131 -4.734 -9.559 820 HG21 VAL 109 HG21 VAL 109 -0.970 -2.575 -9.198 821 HG22 VAL 109 HG22 VAL 109 -1.075 -3.263 -10.815 822 HG23 VAL 109 HG23 VAL 109 0.032 -3.960 -9.634 823 H GLU 110 H GLU 110 -0.658 -3.077 -6.240 824 HA GLU 110 HA GLU 110 -2.373 -0.702 -6.165 825 HB2 GLU 110 HB2 GLU 110 -0.006 -1.373 -4.411 826 HB3 GLU 110 HB3 GLU 110 -1.126 -0.037 -4.190 827 HG2 GLU 110 HG2 GLU 110 -2.931 -1.607 -3.755 828 HG3 GLU 110 HG3 GLU 110 -1.821 -2.956 -4.008 829 H ILE 111 H ILE 111 -1.811 1.041 -7.254 830 HA ILE 111 HA ILE 111 0.938 1.210 -8.289 831 HB ILE 111 HB ILE 111 -1.573 2.499 -9.377 832 HG12 ILE 111 HG12 ILE 111 -0.471 1.006 -11.392 833 HG13 ILE 111 HG13 ILE 111 -0.133 0.005 -9.989 834 HG21 ILE 111 HG21 ILE 111 -0.110 3.229 -11.232 835 HG22 ILE 111 HG22 ILE 111 1.283 2.629 -10.326 836 HG23 ILE 111 HG23 ILE 111 0.319 3.962 -9.686 837 HD11 ILE 111 HD11 ILE 111 -2.189 -0.718 -10.892 838 HD12 ILE 111 HD12 ILE 111 -2.799 0.933 -10.995 839 HD13 ILE 111 HD13 ILE 111 -2.571 0.175 -9.419 840 H SER 112 H SER 112 2.191 2.704 -7.450 841 HA SER 112 HA SER 112 0.957 5.037 -6.142 842 HB2 SER 112 HB2 SER 112 3.579 3.891 -5.234 843 HB3 SER 112 HB3 SER 112 2.424 4.872 -4.332 844 HG SER 112 HG SER 112 1.203 3.135 -3.951 845 H THR 113 H THR 113 1.338 6.721 -7.420 846 HA THR 113 HA THR 113 3.870 6.880 -8.875 847 HB THR 113 HB THR 113 1.939 9.095 -9.142 848 HG1 THR 113 HG1 THR 113 1.210 6.418 -9.535 849 HG21 THR 113 HG21 THR 113 3.741 9.086 -10.644 850 HG22 THR 113 HG22 THR 113 2.385 8.479 -11.594 851 HG23 THR 113 HG23 THR 113 3.588 7.357 -10.955 852 H SER 114 H SER 114 5.474 8.253 -8.277 853 HA SER 114 HA SER 114 4.889 10.520 -6.581 854 HB2 SER 114 HB2 SER 114 5.280 8.467 -5.079 855 HB3 SER 114 HB3 SER 114 6.964 8.558 -5.601 856 HG SER 114 HG SER 114 5.538 10.733 -4.455 857 H SER 115 H SER 115 5.934 12.128 -7.424 858 HA SER 115 HA SER 115 7.464 13.396 -8.473 859 HB2 SER 115 HB2 SER 115 9.566 11.381 -7.699 860 HB3 SER 115 HB3 SER 115 9.727 13.129 -7.872 861 HG SER 115 HG SER 115 8.029 11.936 -5.946 862 H GLY 116 H GLY 116 6.192 11.099 -9.926 863 HA2 GLY 116 HA2 GLY 116 6.324 11.001 -12.335 864 HA3 GLY 116 HA3 GLY 116 8.069 11.117 -12.198 865 H VAL 117 H VAL 117 8.096 9.108 -9.988 866 HA VAL 117 HA VAL 117 8.272 6.813 -11.724 867 HB VAL 117 HB VAL 117 8.871 7.134 -8.782 868 HG11 VAL 117 HG11 VAL 117 8.146 4.852 -9.153 869 HG12 VAL 117 HG12 VAL 117 9.892 4.896 -8.909 870 HG13 VAL 117 HG13 VAL 117 9.234 4.704 -10.535 871 HG21 VAL 117 HG21 VAL 117 11.180 6.887 -9.484 872 HG22 VAL 117 HG22 VAL 117 10.421 8.244 -10.318 873 HG23 VAL 117 HG23 VAL 117 10.672 6.714 -11.165 874 H VAL 118 H VAL 118 6.878 5.235 -11.966 875 HA VAL 118 HA VAL 118 4.491 5.190 -10.274 876 HB VAL 118 HB VAL 118 4.988 3.874 -12.951 877 HG11 VAL 118 HG11 VAL 118 2.455 4.071 -11.322 878 HG12 VAL 118 HG12 VAL 118 3.409 2.611 -11.577 879 HG13 VAL 118 HG13 VAL 118 2.593 3.379 -12.941 880 HG21 VAL 118 HG21 VAL 118 4.793 6.416 -12.835 881 HG22 VAL 118 HG22 VAL 118 3.110 6.143 -12.379 882 HG23 VAL 118 HG23 VAL 118 3.705 5.571 -13.939 883 H TYR 119 H TYR 119 4.755 3.898 -8.595 884 HA TYR 119 HA TYR 119 6.304 1.429 -8.856 885 HB2 TYR 119 HB2 TYR 119 6.895 2.639 -6.912 886 HB3 TYR 119 HB3 TYR 119 5.219 2.979 -6.511 887 HD1 TYR 119 HD1 TYR 119 7.271 -0.118 -7.109 888 HD2 TYR 119 HD2 TYR 119 4.505 1.934 -4.601 889 HE1 TYR 119 HE1 TYR 119 7.256 -2.032 -5.563 890 HE2 TYR 119 HE2 TYR 119 4.478 0.020 -3.058 891 HH TYR 119 HH TYR 119 6.635 -2.736 -3.511 892 H LYS 120 H LYS 120 5.384 -0.504 -9.056 893 HA LYS 120 HA LYS 120 2.520 -0.757 -8.424 894 HB2 LYS 120 HB2 LYS 120 4.098 -1.945 -10.698 895 HB3 LYS 120 HB3 LYS 120 2.517 -2.547 -10.227 896 HG2 LYS 120 HG2 LYS 120 1.444 -0.626 -10.920 897 HG3 LYS 120 HG3 LYS 120 2.913 0.347 -10.842 898 HD2 LYS 120 HD2 LYS 120 3.820 -1.008 -12.726 899 HD3 LYS 120 HD3 LYS 120 2.238 -1.778 -12.864 900 HE2 LYS 120 HE2 LYS 120 1.229 0.118 -13.660 901 HE3 LYS 120 HE3 LYS 120 2.381 1.195 -12.877 902 HZ1 LYS 120 HZ1 LYS 120 2.736 -0.385 -15.350 903 HZ2 LYS 120 HZ2 LYS 120 4.064 0.254 -14.512 904 HZ3 LYS 120 HZ3 LYS 120 2.876 1.288 -15.152 905 H ARG 121 H ARG 121 1.858 -2.603 -7.422 906 HA ARG 121 HA ARG 121 3.836 -4.668 -6.822 907 HB2 ARG 121 HB2 ARG 121 2.719 -4.535 -4.393 908 HB3 ARG 121 HB3 ARG 121 4.168 -3.630 -4.809 909 HG2 ARG 121 HG2 ARG 121 3.077 -1.624 -4.836 910 HG3 ARG 121 HG3 ARG 121 1.534 -2.347 -5.291 911 HD2 ARG 121 HD2 ARG 121 1.575 -1.445 -2.982 912 HD3 ARG 121 HD3 ARG 121 1.189 -3.162 -3.072 913 HE ARG 121 HE ARG 121 3.980 -2.668 -2.649 914 HH11 ARG 121 HH11 ARG 121 0.813 -2.864 -1.110 915 HH12 ARG 121 HH12 ARG 121 1.503 -3.334 0.495 916 HH21 ARG 121 HH21 ARG 121 4.897 -3.238 -0.639 917 HH22 ARG 121 HH22 ARG 121 3.805 -3.535 0.761 918 H THR 122 H THR 122 2.949 -6.495 -7.393 919 HA THR 122 HA THR 122 0.037 -6.766 -7.422 920 HB THR 122 HB THR 122 2.059 -8.719 -8.515 921 HG1 THR 122 HG1 THR 122 0.921 -6.400 -9.725 922 HG21 THR 122 HG21 THR 122 -0.883 -8.251 -8.933 923 HG22 THR 122 HG22 THR 122 -0.060 -9.728 -8.437 924 HG23 THR 122 HG23 THR 122 0.092 -9.151 -10.096 925 H SER 123 H SER 123 -0.987 -7.897 -5.914 926 HA SER 123 HA SER 123 0.572 -9.834 -4.336 927 HB2 SER 123 HB2 SER 123 -1.679 -8.130 -3.259 928 HB3 SER 123 HB3 SER 123 -0.574 -9.153 -2.343 929 HG SER 123 HG SER 123 0.066 -6.783 -3.766 930 H LYS 124 H LYS 124 -0.320 -11.809 -4.136 931 HA LYS 124 HA LYS 124 -2.701 -12.389 -5.661 932 HB2 LYS 124 HB2 LYS 124 -2.221 -14.733 -5.071 933 HB3 LYS 124 HB3 LYS 124 -0.821 -13.926 -5.764 934 HG2 LYS 124 HG2 LYS 124 0.130 -13.645 -3.537 935 HG3 LYS 124 HG3 LYS 124 -1.300 -14.404 -2.835 936 HD2 LYS 124 HD2 LYS 124 -0.772 -16.507 -3.737 937 HD3 LYS 124 HD3 LYS 124 0.374 -15.815 -4.887 938 HE2 LYS 124 HE2 LYS 124 0.842 -15.575 -1.934 939 HE3 LYS 124 HE3 LYS 124 1.267 -17.056 -2.794 940 HZ1 LYS 124 HZ1 LYS 124 2.554 -14.474 -2.832 941 HZ2 LYS 124 HZ2 LYS 124 2.351 -15.160 -4.368 942 HZ3 LYS 124 HZ3 LYS 124 3.190 -16.009 -3.163 943 H LYS 125 H LYS 125 -4.553 -13.486 -4.826 944 HA LYS 125 HA LYS 125 -5.225 -12.618 -2.110 945 HB2 LYS 125 HB2 LYS 125 -6.664 -12.322 -4.383 946 HB3 LYS 125 HB3 LYS 125 -7.302 -13.862 -3.827 947 HG2 LYS 125 HG2 LYS 125 -7.326 -11.248 -2.329 948 HG3 LYS 125 HG3 LYS 125 -8.713 -12.095 -3.006 949 HD2 LYS 125 HD2 LYS 125 -7.086 -13.647 -1.112 950 HD3 LYS 125 HD3 LYS 125 -7.929 -12.263 -0.425 951 HE2 LYS 125 HE2 LYS 125 -10.044 -13.091 -1.263 952 HE3 LYS 125 HE3 LYS 125 -9.229 -14.428 -2.071 953 HZ1 LYS 125 HZ1 LYS 125 -8.441 -14.597 0.560 954 HZ2 LYS 125 HZ2 LYS 125 -9.575 -15.579 -0.225 955 HZ3 LYS 125 HZ3 LYS 125 -10.093 -14.219 0.635 956 H ILE 126 H ILE 126 -5.093 -14.023 -0.553 957 HA ILE 126 HA ILE 126 -5.742 -16.837 -1.049 958 HB ILE 126 HB ILE 126 -3.668 -16.467 0.991 959 HG12 ILE 126 HG12 ILE 126 -1.912 -16.520 -0.999 960 HG13 ILE 126 HG13 ILE 126 -3.162 -15.597 -1.820 961 HG21 ILE 126 HG21 ILE 126 -4.607 -18.621 0.038 962 HG22 ILE 126 HG22 ILE 126 -2.852 -18.511 0.170 963 HG23 ILE 126 HG23 ILE 126 -3.633 -18.288 -1.395 964 HD11 ILE 126 HD11 ILE 126 -3.129 -14.016 0.122 965 HD12 ILE 126 HD12 ILE 126 -1.664 -14.047 -0.861 966 HD13 ILE 126 HD13 ILE 126 -1.699 -14.876 0.695 967 H ALA 127 H ALA 127 -6.107 -17.969 1.146 968 HA ALA 127 HA ALA 127 -7.005 -16.075 3.184 969 HB1 ALA 127 HB1 ALA 127 -9.117 -17.321 3.481 970 HB2 ALA 127 HB2 ALA 127 -8.731 -18.275 2.047 971 HB3 ALA 127 HB3 ALA 127 -8.999 -16.536 1.906 972 H11 CHO 200 H11 CHO 200 6.336 0.003 -1.364 973 H12 CHO 200 H12 CHO 200 6.900 -1.141 -0.110 974 H21 CHO 200 H21 CHO 200 5.081 -0.445 1.377 975 H22 CHO 200 H22 CHO 200 4.429 -0.999 -0.191 976 H3 CHO 200 H3 CHO 200 4.198 1.330 -0.943 977 HO3 CHO 200 HO3 CHO 200 3.121 0.863 1.711 978 H41 CHO 200 H41 CHO 200 5.211 2.026 1.853 979 H42 CHO 200 H42 CHO 200 4.644 3.185 0.622 980 H5 CHO 200 H5 CHO 200 6.452 2.451 -0.900 981 H61 CHO 200 H61 CHO 200 6.799 4.339 0.696 982 H62 CHO 200 H62 CHO 200 8.312 3.471 0.341 983 H7 CHO 200 H7 CHO 200 8.135 3.897 2.744 984 HO7 CHO 200 HO7 CHO 200 5.872 2.145 2.912 985 H8 CHO 200 H8 CHO 200 9.210 1.830 2.060 986 H9 CHO 200 H9 CHO 200 6.434 0.592 2.298 987 H111 CHO 200 H111 CHO 200 9.081 -0.707 1.579 988 H112 CHO 200 H112 CHO 200 7.470 -1.495 1.660 989 H121 CHO 200 H121 CHO 200 8.846 -1.937 3.689 990 H122 CHO 200 H122 CHO 200 7.341 -1.069 4.058 991 H14 CHO 200 H14 CHO 200 7.322 1.479 4.354 992 H151 CHO 200 H151 CHO 200 8.732 3.331 5.028 993 H152 CHO 200 H152 CHO 200 10.143 2.714 4.240 994 H161 CHO 200 H161 CHO 200 8.970 1.961 6.893 995 H162 CHO 200 H162 CHO 200 10.607 1.682 6.344 996 H17 CHO 200 H17 CHO 200 8.230 -0.153 6.156 997 H181 CHO 200 H181 CHO 200 10.794 1.303 3.475 998 H182 CHO 200 H182 CHO 200 10.519 -0.213 2.583 999 H183 CHO 200 H183 CHO 200 11.237 -0.256 4.211 1000 H191 CHO 200 H191 CHO 200 8.892 2.022 -0.510 1001 H192 CHO 200 H192 CHO 200 8.587 0.441 -1.269 1002 H193 CHO 200 H193 CHO 200 9.367 0.527 0.328 1003 H20 CHO 200 H20 CHO 200 11.162 -0.639 5.896 1004 H211 CHO 200 H211 CHO 200 9.648 -2.901 6.751 1005 H212 CHO 200 H212 CHO 200 10.594 -2.705 5.255 1006 H213 CHO 200 H213 CHO 200 8.872 -2.258 5.284 1007 H221 CHO 200 H221 CHO 200 9.211 -0.971 8.210 1008 H222 CHO 200 H222 CHO 200 10.508 0.255 8.086 1009 H231 CHO 200 H231 CHO 200 12.199 -1.529 8.012 1010 H232 CHO 200 H232 CHO 200 10.900 -2.755 8.134 1011 HN CHO 200 HN CHO 200 11.832 -3.604 10.077 1012 H261 CHO 200 H261 CHO 200 12.093 -3.814 12.310 1013 H262 CHO 200 H262 CHO 200 10.691 -2.725 12.452 1014 H11 CHO 201 H11 CHO 201 -6.212 4.433 0.178 1015 H12 CHO 201 H12 CHO 201 -4.751 5.172 -0.536 1016 H21 CHO 201 H21 CHO 201 -3.821 2.946 -0.991 1017 H22 CHO 201 H22 CHO 201 -5.433 3.115 -1.741 1018 H3 CHO 201 H3 CHO 201 -6.454 1.899 0.146 1019 HO3 CHO 201 HO3 CHO 201 -4.122 0.555 -0.935 1020 H41 CHO 201 H41 CHO 201 -3.581 1.620 1.135 1021 H42 CHO 201 H42 CHO 201 -5.016 0.857 1.862 1022 H5 CHO 201 H5 CHO 201 -5.989 3.096 2.278 1023 H61 CHO 201 H61 CHO 201 -4.560 1.974 3.987 1024 H62 CHO 201 H62 CHO 201 -4.495 3.751 4.093 1025 H7 CHO 201 H7 CHO 201 -2.242 2.841 4.285 1026 HO7 CHO 201 HO7 CHO 201 -2.669 0.855 3.091 1027 H8 CHO 201 H8 CHO 201 -2.473 4.953 3.113 1028 H9 CHO 201 H9 CHO 201 -2.685 3.236 0.597 1029 H111 CHO 201 H111 CHO 201 -2.719 6.254 0.844 1030 H112 CHO 201 H112 CHO 201 -2.834 5.263 -0.653 1031 H121 CHO 201 H121 CHO 201 -0.559 6.235 -0.305 1032 H122 CHO 201 H122 CHO 201 -0.559 4.463 -0.357 1033 H14 CHO 201 H14 CHO 201 -0.574 3.064 1.783 1034 H151 CHO 201 H151 CHO 201 0.088 3.187 4.160 1035 H152 CHO 201 H152 CHO 201 -0.179 4.875 4.278 1036 H161 CHO 201 H161 CHO 201 1.975 3.360 2.706 1037 H162 CHO 201 H162 CHO 201 2.192 4.834 3.619 1038 H17 CHO 201 H17 CHO 201 1.623 4.612 0.778 1039 H181 CHO 201 H181 CHO 201 -0.724 7.392 1.813 1040 H182 CHO 201 H182 CHO 201 -0.033 6.648 3.276 1041 H183 CHO 201 H183 CHO 201 -1.725 6.325 2.827 1042 H191 CHO 201 H191 CHO 201 -4.685 6.366 1.551 1043 H192 CHO 201 H192 CHO 201 -4.034 5.576 3.008 1044 H193 CHO 201 H193 CHO 201 -5.758 5.406 2.597 1045 H20 CHO 201 H20 CHO 201 1.661 7.005 2.582 1046 H211 CHO 201 H211 CHO 201 1.332 6.679 -0.359 1047 H212 CHO 201 H212 CHO 201 2.436 7.958 0.200 1048 H213 CHO 201 H213 CHO 201 0.739 7.953 0.733 1049 H221 CHO 201 H221 CHO 201 3.809 5.707 0.869 1050 H222 CHO 201 H222 CHO 201 3.719 5.705 2.660 1051 H231 CHO 201 H231 CHO 201 3.869 8.175 2.648 1052 H232 CHO 201 H232 CHO 201 4.054 8.125 0.866 1053 HN CHO 201 HN CHO 201 5.431 6.098 3.523 1054 H261 CHO 201 H261 CHO 201 8.128 7.091 2.966 1055 H262 CHO 201 H262 CHO 201 7.806 5.371 2.635 Start of MODEL 2 1 H ALA 1 H ALA 1 -15.180 -6.720 -5.638 2 HA ALA 1 HA ALA 1 -14.380 -7.961 -3.780 3 HB1 ALA 1 HB1 ALA 1 -14.635 -9.087 -5.969 4 HB2 ALA 1 HB2 ALA 1 -13.421 -9.839 -4.939 5 HB3 ALA 1 HB3 ALA 1 -12.924 -8.805 -6.277 6 H PHE 2 H PHE 2 -13.068 -6.047 -2.832 7 HA PHE 2 HA PHE 2 -10.195 -6.415 -3.179 8 HB2 PHE 2 HB2 PHE 2 -11.855 -4.339 -1.760 9 HB3 PHE 2 HB3 PHE 2 -10.112 -4.446 -1.531 10 HD1 PHE 2 HD1 PHE 2 -8.703 -4.471 -3.737 11 HD2 PHE 2 HD2 PHE 2 -12.676 -2.983 -3.424 12 HE1 PHE 2 HE1 PHE 2 -8.354 -3.120 -5.760 13 HE2 PHE 2 HE2 PHE 2 -12.333 -1.629 -5.448 14 HZ PHE 2 HZ PHE 2 -10.170 -1.696 -6.617 15 H THR 3 H THR 3 -12.714 -7.314 -1.039 16 HA THR 3 HA THR 3 -11.326 -7.561 1.375 17 HB THR 3 HB THR 3 -13.394 -9.585 0.675 18 HG1 THR 3 HG1 THR 3 -14.945 -8.089 0.471 19 HG21 THR 3 HG21 THR 3 -12.962 -7.759 3.041 20 HG22 THR 3 HG22 THR 3 -12.371 -9.419 2.923 21 HG23 THR 3 HG23 THR 3 -14.109 -9.102 2.953 22 H GLY 4 H GLY 4 -10.107 -9.116 2.294 23 HA2 GLY 4 HA2 GLY 4 -9.588 -11.602 2.186 24 HA3 GLY 4 HA3 GLY 4 -9.224 -11.270 0.499 25 H LYS 5 H LYS 5 -7.363 -12.417 2.119 26 HA LYS 5 HA LYS 5 -5.553 -10.250 2.850 27 HB2 LYS 5 HB2 LYS 5 -4.765 -11.652 4.405 28 HB3 LYS 5 HB3 LYS 5 -6.058 -12.758 3.966 29 HG2 LYS 5 HG2 LYS 5 -4.431 -13.598 2.170 30 HG3 LYS 5 HG3 LYS 5 -3.188 -12.784 3.125 31 HD2 LYS 5 HD2 LYS 5 -4.980 -15.059 3.942 32 HD3 LYS 5 HD3 LYS 5 -3.221 -15.039 3.858 33 HE2 LYS 5 HE2 LYS 5 -3.090 -13.556 5.735 34 HE3 LYS 5 HE3 LYS 5 -4.839 -13.357 5.758 35 HZ1 LYS 5 HZ1 LYS 5 -4.309 -14.908 7.438 36 HZ2 LYS 5 HZ2 LYS 5 -3.299 -15.795 6.414 37 HZ3 LYS 5 HZ3 LYS 5 -4.975 -15.813 6.164 38 H TYR 6 H TYR 6 -3.584 -9.929 1.804 39 HA TYR 6 HA TYR 6 -3.199 -11.485 -0.668 40 HB2 TYR 6 HB2 TYR 6 -2.787 -8.516 -0.287 41 HB3 TYR 6 HB3 TYR 6 -2.406 -9.416 -1.749 42 HD1 TYR 6 HD1 TYR 6 -4.233 -10.392 -3.111 43 HD2 TYR 6 HD2 TYR 6 -5.025 -7.854 0.210 44 HE1 TYR 6 HE1 TYR 6 -6.529 -10.060 -3.921 45 HE2 TYR 6 HE2 TYR 6 -7.322 -7.514 -0.590 46 HH TYR 6 HH TYR 6 -8.818 -7.996 -2.143 47 H GLU 7 H GLU 7 -1.119 -11.958 -1.269 48 HA GLU 7 HA GLU 7 0.975 -11.330 0.715 49 HB2 GLU 7 HB2 GLU 7 0.245 -13.862 -0.656 50 HB3 GLU 7 HB3 GLU 7 1.958 -13.539 -0.444 51 HG2 GLU 7 HG2 GLU 7 1.547 -13.262 1.985 52 HG3 GLU 7 HG3 GLU 7 -0.129 -13.748 1.712 53 H PHE 8 H PHE 8 3.125 -11.158 -0.116 54 HA PHE 8 HA PHE 8 3.333 -9.619 -2.456 55 HB2 PHE 8 HB2 PHE 8 4.989 -9.231 -0.812 56 HB3 PHE 8 HB3 PHE 8 5.363 -10.942 -0.664 57 HD1 PHE 8 HD1 PHE 8 5.335 -8.384 -3.395 58 HD2 PHE 8 HD2 PHE 8 7.407 -11.556 -1.457 59 HE1 PHE 8 HE1 PHE 8 7.203 -8.131 -4.977 60 HE2 PHE 8 HE2 PHE 8 9.278 -11.307 -3.033 61 HZ PHE 8 HZ PHE 8 9.177 -9.589 -4.798 62 H GLU 9 H GLU 9 2.944 -10.405 -4.419 63 HA GLU 9 HA GLU 9 3.934 -13.081 -5.088 64 HB2 GLU 9 HB2 GLU 9 1.683 -13.042 -5.662 65 HB3 GLU 9 HB3 GLU 9 1.739 -11.362 -6.182 66 HG2 GLU 9 HG2 GLU 9 2.771 -11.920 -8.209 67 HG3 GLU 9 HG3 GLU 9 3.133 -13.561 -7.678 68 H SER 10 H SER 10 3.844 -9.759 -6.355 69 HA SER 10 HA SER 10 6.538 -10.027 -7.348 70 HB2 SER 10 HB2 SER 10 4.229 -9.668 -9.276 71 HB3 SER 10 HB3 SER 10 5.922 -9.401 -9.694 72 HG SER 10 HG SER 10 5.548 -11.808 -8.488 73 H ASP 11 H ASP 11 7.392 -7.966 -8.133 74 HA ASP 11 HA ASP 11 5.788 -5.604 -7.522 75 HB2 ASP 11 HB2 ASP 11 7.364 -4.630 -6.047 76 HB3 ASP 11 HB3 ASP 11 7.209 -6.286 -5.480 77 H GLU 12 H GLU 12 6.566 -3.711 -8.588 78 HA GLU 12 HA GLU 12 8.744 -4.134 -10.493 79 HB2 GLU 12 HB2 GLU 12 6.997 -4.629 -11.921 80 HB3 GLU 12 HB3 GLU 12 5.907 -3.538 -11.099 81 HG2 GLU 12 HG2 GLU 12 6.747 -1.665 -12.197 82 HG3 GLU 12 HG3 GLU 12 8.223 -2.506 -12.677 83 H ASN 13 H ASN 13 9.906 -2.413 -10.928 84 HA ASN 13 HA ASN 13 10.906 -0.383 -10.684 85 HB2 ASN 13 HB2 ASN 13 8.480 0.089 -11.725 86 HB3 ASN 13 HB3 ASN 13 8.324 1.005 -10.231 87 HD21 ASN 13 HD21 ASN 13 8.216 2.918 -11.383 88 HD22 ASN 13 HD22 ASN 13 9.620 3.634 -12.108 89 H TYR 14 H TYR 14 11.006 -1.781 -8.392 90 HA TYR 14 HA TYR 14 9.907 -0.364 -6.166 91 HB2 TYR 14 HB2 TYR 14 10.529 -2.851 -6.244 92 HB3 TYR 14 HB3 TYR 14 12.192 -2.325 -6.001 93 HD1 TYR 14 HD1 TYR 14 12.839 -1.207 -3.893 94 HD2 TYR 14 HD2 TYR 14 8.938 -2.794 -4.458 95 HE1 TYR 14 HE1 TYR 14 12.444 -1.070 -1.471 96 HE2 TYR 14 HE2 TYR 14 8.525 -2.665 -2.034 97 HH TYR 14 HH TYR 14 10.190 -2.652 0.135 98 H ASP 15 H ASP 15 13.296 -0.810 -7.240 99 HA ASP 15 HA ASP 15 14.466 0.895 -5.381 100 HB2 ASP 15 HB2 ASP 15 15.382 0.235 -8.169 101 HB3 ASP 15 HB3 ASP 15 16.365 1.080 -6.988 102 H ASP 16 H ASP 16 13.210 1.655 -8.593 103 HA ASP 16 HA ASP 16 14.114 4.306 -8.731 104 HB2 ASP 16 HB2 ASP 16 12.625 2.600 -10.323 105 HB3 ASP 16 HB3 ASP 16 11.514 3.915 -9.959 106 H PHE 17 H PHE 17 11.230 2.886 -7.369 107 HA PHE 17 HA PHE 17 9.874 5.289 -6.758 108 HB2 PHE 17 HB2 PHE 17 8.794 3.078 -6.905 109 HB3 PHE 17 HB3 PHE 17 9.676 2.558 -5.475 110 HD1 PHE 17 HD1 PHE 17 7.277 5.184 -6.601 111 HD2 PHE 17 HD2 PHE 17 8.710 2.754 -3.413 112 HE1 PHE 17 HE1 PHE 17 5.439 5.977 -5.167 113 HE2 PHE 17 HE2 PHE 17 6.878 3.543 -1.980 114 HZ PHE 17 HZ PHE 17 5.238 5.156 -2.853 115 H VAL 18 H VAL 18 11.787 3.065 -4.748 116 HA VAL 18 HA VAL 18 11.612 4.603 -2.394 117 HB VAL 18 HB VAL 18 13.506 3.222 -1.576 118 HG11 VAL 18 HG11 VAL 18 11.221 2.457 -1.334 119 HG12 VAL 18 HG12 VAL 18 12.278 1.088 -1.672 120 HG13 VAL 18 HG13 VAL 18 11.260 1.751 -2.949 121 HG21 VAL 18 HG21 VAL 18 14.123 1.269 -3.109 122 HG22 VAL 18 HG22 VAL 18 14.852 2.836 -3.461 123 HG23 VAL 18 HG23 VAL 18 13.490 2.264 -4.427 124 H LYS 19 H LYS 19 14.009 4.563 -5.018 125 HA LYS 19 HA LYS 19 15.829 6.302 -3.692 126 HB2 LYS 19 HB2 LYS 19 15.470 5.505 -6.571 127 HB3 LYS 19 HB3 LYS 19 16.684 6.683 -6.083 128 HG2 LYS 19 HG2 LYS 19 16.500 3.924 -4.922 129 HG3 LYS 19 HG3 LYS 19 17.497 4.328 -6.318 130 HD2 LYS 19 HD2 LYS 19 19.021 5.476 -5.064 131 HD3 LYS 19 HD3 LYS 19 17.813 5.996 -3.883 132 HE2 LYS 19 HE2 LYS 19 17.756 3.760 -2.939 133 HE3 LYS 19 HE3 LYS 19 18.904 3.194 -4.155 134 HZ1 LYS 19 HZ1 LYS 19 19.458 5.273 -2.108 135 HZ2 LYS 19 HZ2 LYS 19 20.562 4.672 -3.237 136 HZ3 LYS 19 HZ3 LYS 19 19.962 3.661 -2.025 137 H LYS 20 H LYS 20 12.970 6.828 -5.608 138 HA LYS 20 HA LYS 20 13.468 9.591 -6.130 139 HB2 LYS 20 HB2 LYS 20 12.036 8.336 -7.617 140 HB3 LYS 20 HB3 LYS 20 10.949 7.936 -6.295 141 HG2 LYS 20 HG2 LYS 20 10.003 9.676 -7.695 142 HG3 LYS 20 HG3 LYS 20 10.340 10.290 -6.077 143 HD2 LYS 20 HD2 LYS 20 11.073 11.971 -7.570 144 HD3 LYS 20 HD3 LYS 20 12.533 11.159 -7.000 145 HE2 LYS 20 HE2 LYS 20 12.493 9.779 -9.073 146 HE3 LYS 20 HE3 LYS 20 11.134 10.751 -9.641 147 HZ1 LYS 20 HZ1 LYS 20 13.892 11.696 -9.069 148 HZ2 LYS 20 HZ2 LYS 20 12.598 12.720 -9.437 149 HZ3 LYS 20 HZ3 LYS 20 13.140 11.603 -10.582 150 H ILE 21 H ILE 21 11.432 7.838 -3.785 151 HA ILE 21 HA ILE 21 10.445 10.238 -2.585 152 HB ILE 21 HB ILE 21 9.552 8.781 -0.813 153 HG12 ILE 21 HG12 ILE 21 10.837 6.509 -2.345 154 HG13 ILE 21 HG13 ILE 21 11.461 7.159 -0.831 155 HG21 ILE 21 HG21 ILE 21 8.106 7.371 -2.326 156 HG22 ILE 21 HG22 ILE 21 9.090 7.947 -3.671 157 HG23 ILE 21 HG23 ILE 21 8.158 9.090 -2.706 158 HD11 ILE 21 HD11 ILE 21 10.209 5.145 -0.433 159 HD12 ILE 21 HD12 ILE 21 8.796 5.827 -1.239 160 HD13 ILE 21 HD13 ILE 21 9.371 6.522 0.276 161 H GLY 22 H GLY 22 13.386 8.586 -2.327 162 HA2 GLY 22 HA2 GLY 22 15.272 9.235 -1.144 163 HA3 GLY 22 HA3 GLY 22 14.288 10.397 -0.265 164 H LEU 23 H LEU 23 13.571 6.972 -0.547 165 HA LEU 23 HA LEU 23 13.303 6.669 2.277 166 HB2 LEU 23 HB2 LEU 23 12.101 5.370 0.443 167 HB3 LEU 23 HB3 LEU 23 13.592 4.479 0.218 168 HG LEU 23 HG LEU 23 13.425 3.723 2.602 169 HD11 LEU 23 HD11 LEU 23 11.519 4.070 3.880 170 HD12 LEU 23 HD12 LEU 23 10.567 4.599 2.495 171 HD13 LEU 23 HD13 LEU 23 11.812 5.654 3.165 172 HD21 LEU 23 HD21 LEU 23 12.438 2.597 0.427 173 HD22 LEU 23 HD22 LEU 23 10.911 2.893 1.257 174 HD23 LEU 23 HD23 LEU 23 12.159 1.915 2.026 175 HA PRO 24 HA PRO 24 17.596 5.920 3.225 176 HB2 PRO 24 HB2 PRO 24 17.212 4.535 5.575 177 HB3 PRO 24 HB3 PRO 24 17.144 6.302 5.452 178 HG2 PRO 24 HG2 PRO 24 14.919 4.340 5.527 179 HG3 PRO 24 HG3 PRO 24 15.062 5.928 6.294 180 HD2 PRO 24 HD2 PRO 24 13.611 5.551 4.067 181 HD3 PRO 24 HD3 PRO 24 14.488 7.065 4.379 182 H ALA 25 H ALA 25 18.999 4.327 2.760 183 HA ALA 25 HA ALA 25 18.253 2.022 1.413 184 HB1 ALA 25 HB1 ALA 25 20.798 2.612 2.902 185 HB2 ALA 25 HB2 ALA 25 20.470 2.893 1.190 186 HB3 ALA 25 HB3 ALA 25 20.582 1.245 1.811 187 H ASP 26 H ASP 26 18.938 2.498 4.801 188 HA ASP 26 HA ASP 26 19.066 -0.103 5.697 189 HB2 ASP 26 HB2 ASP 26 18.074 2.412 7.024 190 HB3 ASP 26 HB3 ASP 26 18.170 0.877 7.880 191 H LYS 27 H LYS 27 16.216 1.885 5.038 192 HA LYS 27 HA LYS 27 14.463 -0.246 5.987 193 HB2 LYS 27 HB2 LYS 27 13.776 2.464 4.852 194 HB3 LYS 27 HB3 LYS 27 12.616 1.308 5.489 195 HG2 LYS 27 HG2 LYS 27 14.811 2.661 7.053 196 HG3 LYS 27 HG3 LYS 27 13.087 3.042 7.121 197 HD2 LYS 27 HD2 LYS 27 12.604 0.816 7.990 198 HD3 LYS 27 HD3 LYS 27 14.310 0.384 7.872 199 HE2 LYS 27 HE2 LYS 27 14.863 2.153 9.481 200 HE3 LYS 27 HE3 LYS 27 13.151 2.549 9.623 201 HZ1 LYS 27 HZ1 LYS 27 14.317 -0.097 10.298 202 HZ2 LYS 27 HZ2 LYS 27 12.727 0.400 10.562 203 HZ3 LYS 27 HZ3 LYS 27 13.990 1.117 11.425 204 H ILE 28 H ILE 28 15.601 1.194 3.039 205 HA ILE 28 HA ILE 28 13.714 0.226 1.227 206 HB ILE 28 HB ILE 28 16.689 0.661 0.865 207 HG12 ILE 28 HG12 ILE 28 14.318 2.334 0.046 208 HG13 ILE 28 HG13 ILE 28 15.426 2.697 1.357 209 HG21 ILE 28 HG21 ILE 28 16.321 0.581 -1.534 210 HG22 ILE 28 HG22 ILE 28 14.623 0.197 -1.273 211 HG23 ILE 28 HG23 ILE 28 15.867 -0.949 -0.785 212 HD11 ILE 28 HD11 ILE 28 17.263 2.774 -0.363 213 HD12 ILE 28 HD12 ILE 28 16.055 4.058 -0.462 214 HD13 ILE 28 HD13 ILE 28 15.995 2.702 -1.589 215 H GLU 29 H GLU 29 16.898 -1.173 1.985 216 HA GLU 29 HA GLU 29 16.412 -3.600 0.617 217 HB2 GLU 29 HB2 GLU 29 18.469 -2.962 2.738 218 HB3 GLU 29 HB3 GLU 29 18.493 -4.373 1.687 219 HG2 GLU 29 HG2 GLU 29 18.674 -1.503 0.777 220 HG3 GLU 29 HG3 GLU 29 20.022 -2.630 0.914 221 H MET 30 H MET 30 15.667 -2.512 3.793 222 HA MET 30 HA MET 30 15.353 -5.093 4.985 223 HB2 MET 30 HB2 MET 30 15.821 -3.100 6.332 224 HB3 MET 30 HB3 MET 30 14.301 -2.382 5.814 225 HG2 MET 30 HG2 MET 30 13.958 -3.210 7.985 226 HG3 MET 30 HG3 MET 30 13.138 -4.326 6.899 227 HE1 MET 30 HE1 MET 30 14.407 -7.615 7.828 228 HE2 MET 30 HE2 MET 30 14.014 -6.758 6.337 229 HE3 MET 30 HE3 MET 30 13.001 -6.552 7.766 230 H GLY 31 H GLY 31 13.268 -2.807 3.288 231 HA2 GLY 31 HA2 GLY 31 11.002 -4.651 3.691 232 HA3 GLY 31 HA3 GLY 31 10.858 -2.950 3.282 233 H ARG 32 H ARG 32 13.179 -4.931 1.603 234 HA ARG 32 HA ARG 32 11.447 -4.729 -0.769 235 HB2 ARG 32 HB2 ARG 32 13.330 -4.516 -2.151 236 HB3 ARG 32 HB3 ARG 32 13.673 -3.486 -0.768 237 HG2 ARG 32 HG2 ARG 32 15.182 -5.086 0.141 238 HG3 ARG 32 HG3 ARG 32 14.712 -6.292 -1.055 239 HD2 ARG 32 HD2 ARG 32 16.105 -3.680 -1.613 240 HD3 ARG 32 HD3 ARG 32 16.841 -5.279 -1.648 241 HE ARG 32 HE ARG 32 15.056 -5.688 -3.470 242 HH11 ARG 32 HH11 ARG 32 16.899 -2.758 -2.883 243 HH12 ARG 32 HH12 ARG 32 16.685 -2.143 -4.581 244 HH21 ARG 32 HH21 ARG 32 14.774 -4.968 -5.631 245 HH22 ARG 32 HH22 ARG 32 15.501 -3.378 -6.114 246 H ASN 33 H ASN 33 11.021 -6.471 -1.999 247 HA ASN 33 HA ASN 33 10.646 -8.657 -2.493 248 HB2 ASN 33 HB2 ASN 33 13.470 -8.311 -2.273 249 HB3 ASN 33 HB3 ASN 33 13.061 -9.900 -1.640 250 HD21 ASN 33 HD21 ASN 33 11.471 -8.082 -4.222 251 HD22 ASN 33 HD22 ASN 33 11.801 -9.236 -5.466 252 H CYS 34 H CYS 34 10.140 -7.656 0.252 253 HA CYS 34 HA CYS 34 10.437 -10.094 1.835 254 HB2 CYS 34 HB2 CYS 34 9.637 -7.279 2.590 255 HB3 CYS 34 HB3 CYS 34 9.668 -8.628 3.719 256 HG CYS 34 HG CYS 34 11.964 -6.915 3.978 257 H LYS 35 H LYS 35 8.596 -10.967 2.967 258 HA LYS 35 HA LYS 35 6.251 -10.883 1.276 259 HB2 LYS 35 HB2 LYS 35 5.481 -12.709 2.968 260 HB3 LYS 35 HB3 LYS 35 6.687 -13.076 1.748 261 HG2 LYS 35 HG2 LYS 35 7.789 -12.094 4.271 262 HG3 LYS 35 HG3 LYS 35 6.924 -13.626 4.392 263 HD2 LYS 35 HD2 LYS 35 8.321 -14.210 2.237 264 HD3 LYS 35 HD3 LYS 35 9.388 -12.957 2.863 265 HE2 LYS 35 HE2 LYS 35 8.449 -15.332 4.441 266 HE3 LYS 35 HE3 LYS 35 9.985 -15.255 3.587 267 HZ1 LYS 35 HZ1 LYS 35 10.389 -14.705 5.836 268 HZ2 LYS 35 HZ2 LYS 35 9.118 -13.596 5.878 269 HZ3 LYS 35 HZ3 LYS 35 10.500 -13.261 4.964 270 H ILE 36 H ILE 36 5.354 -8.865 1.749 271 HA ILE 36 HA ILE 36 4.379 -8.423 4.470 272 HB ILE 36 HB ILE 36 4.350 -6.664 2.007 273 HG12 ILE 36 HG12 ILE 36 5.576 -5.178 3.788 274 HG13 ILE 36 HG13 ILE 36 5.874 -6.718 4.582 275 HG21 ILE 36 HG21 ILE 36 3.260 -4.946 3.277 276 HG22 ILE 36 HG22 ILE 36 3.246 -5.956 4.720 277 HG23 ILE 36 HG23 ILE 36 2.257 -6.397 3.329 278 HD11 ILE 36 HD11 ILE 36 6.685 -5.991 1.782 279 HD12 ILE 36 HD12 ILE 36 6.991 -7.533 2.580 280 HD13 ILE 36 HD13 ILE 36 7.742 -6.058 3.190 281 H VAL 37 H VAL 37 2.376 -9.011 5.039 282 HA VAL 37 HA VAL 37 0.546 -9.918 2.950 283 HB VAL 37 HB VAL 37 0.063 -10.094 5.919 284 HG11 VAL 37 HG11 VAL 37 -0.973 -11.704 3.587 285 HG12 VAL 37 HG12 VAL 37 -1.874 -10.514 4.523 286 HG13 VAL 37 HG13 VAL 37 -1.338 -12.010 5.284 287 HG21 VAL 37 HG21 VAL 37 1.061 -12.289 5.939 288 HG22 VAL 37 HG22 VAL 37 2.249 -11.108 5.383 289 HG23 VAL 37 HG23 VAL 37 1.448 -12.164 4.221 290 H THR 38 H THR 38 -1.432 -9.034 2.572 291 HA THR 38 HA THR 38 -2.034 -6.514 3.988 292 HB THR 38 HB THR 38 -2.794 -7.222 1.150 293 HG1 THR 38 HG1 THR 38 -0.770 -6.718 0.765 294 HG21 THR 38 HG21 THR 38 -4.255 -5.582 2.357 295 HG22 THR 38 HG22 THR 38 -3.457 -4.929 0.928 296 HG23 THR 38 HG23 THR 38 -2.841 -4.541 2.533 297 H GLU 39 H GLU 39 -3.632 -6.972 5.413 298 HA GLU 39 HA GLU 39 -5.699 -8.895 4.631 299 HB2 GLU 39 HB2 GLU 39 -4.580 -7.966 7.185 300 HB3 GLU 39 HB3 GLU 39 -6.331 -8.141 7.189 301 HG2 GLU 39 HG2 GLU 39 -6.219 -10.425 6.710 302 HG3 GLU 39 HG3 GLU 39 -4.542 -10.316 6.177 303 H VAL 40 H VAL 40 -7.360 -8.079 3.554 304 HA VAL 40 HA VAL 40 -8.317 -5.384 4.263 305 HB VAL 40 HB VAL 40 -8.802 -6.934 1.717 306 HG11 VAL 40 HG11 VAL 40 -9.295 -4.018 2.281 307 HG12 VAL 40 HG12 VAL 40 -10.534 -5.270 2.382 308 HG13 VAL 40 HG13 VAL 40 -9.749 -4.934 0.841 309 HG21 VAL 40 HG21 VAL 40 -6.850 -4.716 2.313 310 HG22 VAL 40 HG22 VAL 40 -7.259 -5.273 0.688 311 HG23 VAL 40 HG23 VAL 40 -6.471 -6.367 1.829 312 H VAL 41 H VAL 41 -10.182 -5.246 5.283 313 HA VAL 41 HA VAL 41 -12.147 -7.401 4.876 314 HB VAL 41 HB VAL 41 -11.181 -7.181 7.229 315 HG11 VAL 41 HG11 VAL 41 -11.152 -4.738 7.344 316 HG12 VAL 41 HG12 VAL 41 -12.066 -5.455 8.672 317 HG13 VAL 41 HG13 VAL 41 -12.917 -4.722 7.312 318 HG21 VAL 41 HG21 VAL 41 -13.162 -8.446 6.895 319 HG22 VAL 41 HG22 VAL 41 -14.143 -6.988 6.749 320 HG23 VAL 41 HG23 VAL 41 -13.431 -7.419 8.305 321 H GLN 42 H GLN 42 -14.190 -6.783 4.227 322 HA GLN 42 HA GLN 42 -14.475 -3.945 3.579 323 HB2 GLN 42 HB2 GLN 42 -14.618 -5.304 1.639 324 HB3 GLN 42 HB3 GLN 42 -15.740 -6.415 2.415 325 HG2 GLN 42 HG2 GLN 42 -17.414 -4.600 2.494 326 HG3 GLN 42 HG3 GLN 42 -16.293 -3.569 1.604 327 HE21 GLN 42 HE21 GLN 42 -17.809 -3.376 -0.079 328 HE22 GLN 42 HE22 GLN 42 -18.065 -4.660 -1.205 329 H ASN 43 H ASN 43 -15.747 -2.749 4.738 330 HA ASN 43 HA ASN 43 -18.187 -3.930 5.885 331 HB2 ASN 43 HB2 ASN 43 -16.370 -3.369 7.600 332 HB3 ASN 43 HB3 ASN 43 -16.638 -1.680 7.186 333 HD21 ASN 43 HD21 ASN 43 -17.009 -2.808 9.742 334 HD22 ASN 43 HD22 ASN 43 -18.686 -2.680 10.142 335 H GLY 44 H GLY 44 -19.159 -3.230 3.894 336 HA2 GLY 44 HA2 GLY 44 -20.587 -1.762 2.828 337 HA3 GLY 44 HA3 GLY 44 -20.230 -0.570 4.073 338 H ASN 45 H ASN 45 -18.621 0.906 3.765 339 HA ASN 45 HA ASN 45 -17.245 0.800 1.165 340 HB2 ASN 45 HB2 ASN 45 -18.961 2.863 2.248 341 HB3 ASN 45 HB3 ASN 45 -17.356 3.494 1.901 342 HD21 ASN 45 HD21 ASN 45 -18.854 0.831 0.183 343 HD22 ASN 45 HD22 ASN 45 -19.045 1.666 -1.321 344 H ASP 46 H ASP 46 -16.796 0.339 4.254 345 HA ASP 46 HA ASP 46 -14.343 1.894 4.545 346 HB2 ASP 46 HB2 ASP 46 -15.975 1.791 6.437 347 HB3 ASP 46 HB3 ASP 46 -15.683 0.058 6.541 348 H PHE 47 H PHE 47 -12.650 1.003 3.609 349 HA PHE 47 HA PHE 47 -12.317 -1.914 3.746 350 HB2 PHE 47 HB2 PHE 47 -11.230 0.145 1.816 351 HB3 PHE 47 HB3 PHE 47 -10.623 -1.506 1.888 352 HD1 PHE 47 HD1 PHE 47 -13.588 0.565 1.154 353 HD2 PHE 47 HD2 PHE 47 -11.825 -3.302 0.922 354 HE1 PHE 47 HE1 PHE 47 -15.397 -0.167 -0.343 355 HE2 PHE 47 HE2 PHE 47 -13.632 -4.038 -0.576 356 HZ PHE 47 HZ PHE 47 -15.421 -2.472 -1.208 357 H THR 48 H THR 48 -10.415 -2.755 4.589 358 HA THR 48 HA THR 48 -8.775 -0.777 6.014 359 HB THR 48 HB THR 48 -8.238 -2.558 7.618 360 HG1 THR 48 HG1 THR 48 -8.518 -4.363 6.259 361 HG21 THR 48 HG21 THR 48 -10.483 -2.746 8.651 362 HG22 THR 48 HG22 THR 48 -11.193 -2.122 7.163 363 HG23 THR 48 HG23 THR 48 -10.116 -1.105 8.119 364 H TRP 49 H TRP 49 -6.650 -0.732 5.753 365 HA TRP 49 HA TRP 49 -5.442 -2.779 4.012 366 HB2 TRP 49 HB2 TRP 49 -5.388 0.054 3.882 367 HB3 TRP 49 HB3 TRP 49 -3.779 -0.458 4.375 368 HD1 TRP 49 HD1 TRP 49 -2.231 -0.756 2.389 369 HE1 TRP 49 HE1 TRP 49 -2.467 -1.486 -0.071 370 HE3 TRP 49 HE3 TRP 49 -7.260 -1.676 2.298 371 HZ2 TRP 49 HZ2 TRP 49 -4.509 -2.356 -1.804 372 HZ3 TRP 49 HZ3 TRP 49 -8.274 -2.458 0.196 373 HH2 TRP 49 HH2 TRP 49 -6.924 -2.791 -1.812 374 H THR 50 H THR 50 -4.750 -4.260 5.463 375 HA THR 50 HA THR 50 -3.121 -3.301 7.711 376 HB THR 50 HB THR 50 -4.075 -6.129 7.341 377 HG1 THR 50 HG1 THR 50 -6.017 -5.275 7.525 378 HG21 THR 50 HG21 THR 50 -3.366 -4.520 9.796 379 HG22 THR 50 HG22 THR 50 -2.332 -5.719 9.018 380 HG23 THR 50 HG23 THR 50 -3.848 -6.215 9.772 381 H GLN 51 H GLN 51 -0.994 -3.375 7.468 382 HA GLN 51 HA GLN 51 0.132 -5.238 5.484 383 HB2 GLN 51 HB2 GLN 51 0.955 -2.545 6.482 384 HB3 GLN 51 HB3 GLN 51 2.214 -3.664 5.989 385 HG2 GLN 51 HG2 GLN 51 1.685 -2.214 4.165 386 HG3 GLN 51 HG3 GLN 51 1.140 -3.844 3.776 387 HE21 GLN 51 HE21 GLN 51 -0.895 -4.112 3.159 388 HE22 GLN 51 HE22 GLN 51 -2.131 -2.911 3.247 389 H HIS 52 H HIS 52 1.007 -6.990 6.299 390 HA HIS 52 HA HIS 52 2.068 -6.916 9.040 391 HB2 HIS 52 HB2 HIS 52 1.107 -9.223 7.335 392 HB3 HIS 52 HB3 HIS 52 1.921 -9.436 8.879 393 HD2 HIS 52 HD2 HIS 52 -1.567 -8.999 7.498 394 HE1 HIS 52 HE1 HIS 52 -1.769 -8.189 11.647 395 HE2 HIS 52 HE2 HIS 52 -3.100 -8.857 9.590 396 H PHE 53 H PHE 53 4.139 -6.846 9.278 397 HA PHE 53 HA PHE 53 5.865 -7.525 7.022 398 HB2 PHE 53 HB2 PHE 53 5.940 -5.299 8.389 399 HB3 PHE 53 HB3 PHE 53 6.822 -6.264 9.570 400 HD1 PHE 53 HD1 PHE 53 6.781 -5.499 5.948 401 HD2 PHE 53 HD2 PHE 53 9.101 -6.404 9.383 402 HE1 PHE 53 HE1 PHE 53 8.849 -5.165 4.639 403 HE2 PHE 53 HE2 PHE 53 11.167 -6.070 8.103 404 HZ PHE 53 HZ PHE 53 11.043 -5.450 5.721 405 HA PRO 54 HA PRO 54 7.098 -11.329 8.913 406 HB2 PRO 54 HB2 PRO 54 9.515 -11.599 7.634 407 HB3 PRO 54 HB3 PRO 54 7.957 -11.970 6.873 408 HG2 PRO 54 HG2 PRO 54 9.650 -9.540 6.608 409 HG3 PRO 54 HG3 PRO 54 8.728 -10.422 5.373 410 HD2 PRO 54 HD2 PRO 54 7.826 -8.134 6.461 411 HD3 PRO 54 HD3 PRO 54 6.737 -9.443 5.954 412 H GLY 55 H GLY 55 7.677 -11.230 11.002 413 HA2 GLY 55 HA2 GLY 55 8.926 -10.882 12.890 414 HA3 GLY 55 HA3 GLY 55 10.318 -11.011 11.831 415 H GLY 56 H GLY 56 7.845 -8.482 11.666 416 HA2 GLY 56 HA2 GLY 56 9.704 -6.589 12.895 417 HA3 GLY 56 HA3 GLY 56 9.262 -6.306 11.223 418 H ARG 57 H ARG 57 8.500 -4.253 12.109 419 HA ARG 57 HA ARG 57 6.281 -4.183 13.884 420 HB2 ARG 57 HB2 ARG 57 6.195 -1.805 13.407 421 HB3 ARG 57 HB3 ARG 57 7.865 -2.302 13.641 422 HG2 ARG 57 HG2 ARG 57 8.279 -1.181 11.765 423 HG3 ARG 57 HG3 ARG 57 7.551 -2.556 10.931 424 HD2 ARG 57 HD2 ARG 57 6.459 -0.630 10.090 425 HD3 ARG 57 HD3 ARG 57 5.327 -1.379 11.215 426 HE ARG 57 HE ARG 57 6.952 0.594 12.483 427 HH11 ARG 57 HH11 ARG 57 4.086 0.115 10.494 428 HH12 ARG 57 HH12 ARG 57 3.348 1.676 10.998 429 HH21 ARG 57 HH21 ARG 57 6.058 2.569 13.135 430 HH22 ARG 57 HH22 ARG 57 4.438 3.064 12.488 431 H THR 58 H THR 58 4.116 -3.773 13.427 432 HA THR 58 HA THR 58 3.304 -4.452 10.686 433 HB THR 58 HB THR 58 2.622 -5.999 12.582 434 HG1 THR 58 HG1 THR 58 1.133 -6.511 11.189 435 HG21 THR 58 HG21 THR 58 0.696 -3.760 13.209 436 HG22 THR 58 HG22 THR 58 2.060 -4.237 14.218 437 HG23 THR 58 HG23 THR 58 0.727 -5.358 13.954 438 H THR 59 H THR 59 1.260 -3.450 9.939 439 HA THR 59 HA THR 59 0.696 -0.838 11.138 440 HB THR 59 HB THR 59 1.004 -0.934 8.165 441 HG1 THR 59 HG1 THR 59 2.976 -1.762 9.402 442 HG21 THR 59 HG21 THR 59 1.687 1.428 8.560 443 HG22 THR 59 HG22 THR 59 1.405 1.180 10.284 444 HG23 THR 59 HG23 THR 59 0.065 1.057 9.144 445 H THR 60 H THR 60 -1.432 -0.170 10.855 446 HA THR 60 HA THR 60 -3.138 -1.714 9.043 447 HB THR 60 HB THR 60 -4.017 -1.231 11.881 448 HG1 THR 60 HG1 THR 60 -2.339 -3.226 10.863 449 HG21 THR 60 HG21 THR 60 -4.920 -3.152 9.725 450 HG22 THR 60 HG22 THR 60 -5.762 -1.688 10.239 451 HG23 THR 60 HG23 THR 60 -5.595 -3.043 11.354 452 H ASN 61 H ASN 61 -4.251 -0.295 7.851 453 HA ASN 61 HA ASN 61 -5.139 2.191 9.155 454 HB2 ASN 61 HB2 ASN 61 -4.409 2.052 6.233 455 HB3 ASN 61 HB3 ASN 61 -4.674 3.484 7.222 456 HD21 ASN 61 HD21 ASN 61 -2.398 1.261 6.044 457 HD22 ASN 61 HD22 ASN 61 -1.028 1.852 6.917 458 H SER 62 H SER 62 -7.215 2.427 9.192 459 HA SER 62 HA SER 62 -8.858 0.912 7.294 460 HB2 SER 62 HB2 SER 62 -10.656 1.254 8.959 461 HB3 SER 62 HB3 SER 62 -9.238 0.481 9.671 462 HG SER 62 HG SER 62 -9.373 3.264 9.755 463 H PHE 63 H PHE 63 -10.103 1.970 5.818 464 HA PHE 63 HA PHE 63 -10.490 4.846 6.172 465 HB2 PHE 63 HB2 PHE 63 -9.815 5.271 3.816 466 HB3 PHE 63 HB3 PHE 63 -8.480 4.724 4.826 467 HD1 PHE 63 HD1 PHE 63 -7.547 2.478 4.535 468 HD2 PHE 63 HD2 PHE 63 -10.636 3.946 2.005 469 HE1 PHE 63 HE1 PHE 63 -7.091 0.672 2.932 470 HE2 PHE 63 HE2 PHE 63 -10.184 2.142 0.403 471 HZ PHE 63 HZ PHE 63 -8.408 0.504 0.862 472 H THR 64 H THR 64 -12.324 5.657 5.316 473 HA THR 64 HA THR 64 -14.147 3.729 4.069 474 HB THR 64 HB THR 64 -14.695 6.255 5.635 475 HG1 THR 64 HG1 THR 64 -14.366 3.735 6.388 476 HG21 THR 64 HG21 THR 64 -16.672 4.417 4.286 477 HG22 THR 64 HG22 THR 64 -16.312 6.079 3.819 478 HG23 THR 64 HG23 THR 64 -17.082 5.746 5.372 479 H ILE 65 H ILE 65 -14.647 4.023 1.974 480 HA ILE 65 HA ILE 65 -13.477 5.947 0.363 481 HB ILE 65 HB ILE 65 -16.100 4.556 -0.177 482 HG12 ILE 65 HG12 ILE 65 -14.344 2.936 0.393 483 HG13 ILE 65 HG13 ILE 65 -14.751 2.843 -1.313 484 HG21 ILE 65 HG21 ILE 65 -15.298 6.550 -1.606 485 HG22 ILE 65 HG22 ILE 65 -15.835 5.078 -2.417 486 HG23 ILE 65 HG23 ILE 65 -14.110 5.407 -2.240 487 HD11 ILE 65 HD11 ILE 65 -12.755 4.135 -1.861 488 HD12 ILE 65 HD12 ILE 65 -12.359 2.662 -0.968 489 HD13 ILE 65 HD13 ILE 65 -12.349 4.224 -0.146 490 H ASP 66 H ASP 66 -13.808 7.989 0.005 491 HA ASP 66 HA ASP 66 -14.747 10.032 -0.237 492 HB2 ASP 66 HB2 ASP 66 -16.791 8.691 -1.044 493 HB3 ASP 66 HB3 ASP 66 -17.439 8.953 0.569 494 H LYS 67 H LYS 67 -13.845 8.713 2.273 495 HA LYS 67 HA LYS 67 -14.808 10.783 4.113 496 HB2 LYS 67 HB2 LYS 67 -16.046 8.847 4.751 497 HB3 LYS 67 HB3 LYS 67 -14.629 7.818 4.610 498 HG2 LYS 67 HG2 LYS 67 -15.144 8.147 6.926 499 HG3 LYS 67 HG3 LYS 67 -13.637 8.986 6.550 500 HD2 LYS 67 HD2 LYS 67 -15.145 11.054 6.188 501 HD3 LYS 67 HD3 LYS 67 -16.353 10.131 7.089 502 HE2 LYS 67 HE2 LYS 67 -15.006 10.041 9.008 503 HE3 LYS 67 HE3 LYS 67 -13.565 10.540 8.120 504 HZ1 LYS 67 HZ1 LYS 67 -14.620 12.714 7.776 505 HZ2 LYS 67 HZ2 LYS 67 -14.385 12.364 9.414 506 HZ3 LYS 67 HZ3 LYS 67 -15.929 12.229 8.736 507 H GLU 68 H GLU 68 -13.241 11.507 5.608 508 HA GLU 68 HA GLU 68 -10.517 11.115 4.822 509 HB2 GLU 68 HB2 GLU 68 -11.585 12.487 7.297 510 HB3 GLU 68 HB3 GLU 68 -9.962 12.637 6.643 511 HG2 GLU 68 HG2 GLU 68 -10.965 14.573 5.924 512 HG3 GLU 68 HG3 GLU 68 -11.138 13.515 4.528 513 H ALA 69 H ALA 69 -8.977 9.839 5.755 514 HA ALA 69 HA ALA 69 -9.813 8.261 8.099 515 HB1 ALA 69 HB1 ALA 69 -8.558 6.347 7.089 516 HB2 ALA 69 HB2 ALA 69 -8.431 7.295 5.607 517 HB3 ALA 69 HB3 ALA 69 -10.017 6.817 6.214 518 H ASP 70 H ASP 70 -8.045 7.341 9.321 519 HA ASP 70 HA ASP 70 -5.704 9.121 9.372 520 HB2 ASP 70 HB2 ASP 70 -6.871 9.076 11.482 521 HB3 ASP 70 HB3 ASP 70 -6.932 7.317 11.477 522 H MET 71 H MET 71 -3.845 8.336 8.628 523 HA MET 71 HA MET 71 -3.527 5.425 8.523 524 HB2 MET 71 HB2 MET 71 -2.484 7.322 6.438 525 HB3 MET 71 HB3 MET 71 -2.530 5.565 6.370 526 HG2 MET 71 HG2 MET 71 -4.669 5.517 5.734 527 HG3 MET 71 HG3 MET 71 -5.117 6.871 6.762 528 HE1 MET 71 HE1 MET 71 -6.638 6.852 4.807 529 HE2 MET 71 HE2 MET 71 -6.382 7.794 3.333 530 HE3 MET 71 HE3 MET 71 -6.523 8.611 4.892 531 H GLU 72 H GLU 72 -1.371 4.686 8.371 532 HA GLU 72 HA GLU 72 0.755 6.510 9.166 533 HB2 GLU 72 HB2 GLU 72 0.335 5.742 11.314 534 HB3 GLU 72 HB3 GLU 72 -0.305 4.205 10.754 535 HG2 GLU 72 HG2 GLU 72 1.797 3.267 10.503 536 HG3 GLU 72 HG3 GLU 72 2.596 4.833 10.443 537 H THR 73 H THR 73 2.749 5.858 8.321 538 HA THR 73 HA THR 73 2.587 3.846 6.235 539 HB THR 73 HB THR 73 4.769 4.614 5.530 540 HG1 THR 73 HG1 THR 73 6.034 5.867 6.765 541 HG21 THR 73 HG21 THR 73 2.644 5.983 5.066 542 HG22 THR 73 HG22 THR 73 4.198 6.776 4.809 543 HG23 THR 73 HG23 THR 73 3.275 7.106 6.267 544 H MET 74 H MET 74 5.035 2.805 6.050 545 HA MET 74 HA MET 74 5.100 1.007 8.333 546 HB2 MET 74 HB2 MET 74 6.756 0.859 5.816 547 HB3 MET 74 HB3 MET 74 6.449 -0.432 6.968 548 HG2 MET 74 HG2 MET 74 4.071 -0.406 6.326 549 HG3 MET 74 HG3 MET 74 4.426 0.843 5.136 550 HE1 MET 74 HE1 MET 74 6.228 -2.557 6.208 551 HE2 MET 74 HE2 MET 74 5.601 -3.588 4.925 552 HE3 MET 74 HE3 MET 74 4.496 -2.848 6.080 553 H GLY 75 H GLY 75 6.534 3.856 7.402 554 HA2 GLY 75 HA2 GLY 75 9.114 3.301 8.645 555 HA3 GLY 75 HA3 GLY 75 8.646 4.787 7.828 556 H GLY 76 H GLY 76 6.122 5.018 9.254 557 HA2 GLY 76 HA2 GLY 76 5.602 5.068 11.716 558 HA3 GLY 76 HA3 GLY 76 7.185 5.801 11.900 559 H ARG 77 H ARG 77 4.983 6.584 9.279 560 HA ARG 77 HA ARG 77 4.867 9.330 10.296 561 HB2 ARG 77 HB2 ARG 77 3.751 8.485 7.640 562 HB3 ARG 77 HB3 ARG 77 4.357 10.056 8.134 563 HG2 ARG 77 HG2 ARG 77 6.596 9.335 7.967 564 HG3 ARG 77 HG3 ARG 77 6.115 7.648 7.795 565 HD2 ARG 77 HD2 ARG 77 6.398 8.103 5.602 566 HD3 ARG 77 HD3 ARG 77 4.764 8.719 5.739 567 HE ARG 77 HE ARG 77 5.816 10.949 6.062 568 HH11 ARG 77 HH11 ARG 77 7.601 8.363 4.472 569 HH12 ARG 77 HH12 ARG 77 8.530 9.496 3.428 570 HH21 ARG 77 HH21 ARG 77 7.019 12.424 4.799 571 HH22 ARG 77 HH22 ARG 77 8.231 11.780 3.632 572 H LYS 78 H LYS 78 3.125 10.034 11.304 573 HA LYS 78 HA LYS 78 0.613 8.541 11.030 574 HB2 LYS 78 HB2 LYS 78 1.122 10.744 13.012 575 HB3 LYS 78 HB3 LYS 78 -0.030 9.425 13.117 576 HG2 LYS 78 HG2 LYS 78 2.910 8.879 13.133 577 HG3 LYS 78 HG3 LYS 78 2.076 9.377 14.602 578 HD2 LYS 78 HD2 LYS 78 0.458 7.472 14.171 579 HD3 LYS 78 HD3 LYS 78 1.596 6.917 12.940 580 HE2 LYS 78 HE2 LYS 78 3.316 6.605 14.552 581 HE3 LYS 78 HE3 LYS 78 2.380 7.420 15.803 582 HZ1 LYS 78 HZ1 LYS 78 2.413 4.945 15.952 583 HZ2 LYS 78 HZ2 LYS 78 1.524 4.883 14.511 584 HZ3 LYS 78 HZ3 LYS 78 0.863 5.618 15.889 585 H PHE 79 H PHE 79 -0.964 9.406 9.743 586 HA PHE 79 HA PHE 79 -1.245 12.286 9.539 587 HB2 PHE 79 HB2 PHE 79 -0.965 12.318 7.074 588 HB3 PHE 79 HB3 PHE 79 0.524 11.890 7.916 589 HD1 PHE 79 HD1 PHE 79 1.330 9.588 7.924 590 HD2 PHE 79 HD2 PHE 79 -2.034 10.762 5.599 591 HE1 PHE 79 HE1 PHE 79 1.513 7.525 6.619 592 HE2 PHE 79 HE2 PHE 79 -1.851 8.692 4.288 593 HZ PHE 79 HZ PHE 79 -0.072 7.065 4.804 594 H LYS 80 H LYS 80 -2.960 12.758 7.720 595 HA LYS 80 HA LYS 80 -5.007 10.648 7.716 596 HB2 LYS 80 HB2 LYS 80 -5.448 13.561 8.415 597 HB3 LYS 80 HB3 LYS 80 -6.745 12.431 8.051 598 HG2 LYS 80 HG2 LYS 80 -6.758 12.318 10.325 599 HG3 LYS 80 HG3 LYS 80 -5.602 11.029 9.976 600 HD2 LYS 80 HD2 LYS 80 -3.785 12.732 10.239 601 HD3 LYS 80 HD3 LYS 80 -5.006 13.864 10.821 602 HE2 LYS 80 HE2 LYS 80 -4.547 13.048 12.856 603 HE3 LYS 80 HE3 LYS 80 -5.466 11.630 12.356 604 HZ1 LYS 80 HZ1 LYS 80 -3.529 10.463 11.834 605 HZ2 LYS 80 HZ2 LYS 80 -3.148 11.252 13.283 606 HZ3 LYS 80 HZ3 LYS 80 -2.570 11.864 11.820 607 H ALA 81 H ALA 81 -6.337 10.618 5.889 608 HA ALA 81 HA ALA 81 -6.045 12.652 3.846 609 HB1 ALA 81 HB1 ALA 81 -5.055 11.330 2.172 610 HB2 ALA 81 HB2 ALA 81 -5.279 9.845 3.093 611 HB3 ALA 81 HB3 ALA 81 -4.082 11.028 3.611 612 H THR 82 H THR 82 -7.475 12.248 1.988 613 HA THR 82 HA THR 82 -9.835 10.710 2.819 614 HB THR 82 HB THR 82 -9.807 12.719 0.571 615 HG1 THR 82 HG1 THR 82 -10.784 13.871 2.733 616 HG21 THR 82 HG21 THR 82 -11.790 11.341 0.732 617 HG22 THR 82 HG22 THR 82 -12.184 12.971 1.279 618 HG23 THR 82 HG23 THR 82 -11.929 11.683 2.456 619 H VAL 83 H VAL 83 -10.515 8.993 1.651 620 HA VAL 83 HA VAL 83 -9.038 8.381 -0.829 621 HB VAL 83 HB VAL 83 -10.311 6.391 1.063 622 HG11 VAL 83 HG11 VAL 83 -8.845 4.790 -0.211 623 HG12 VAL 83 HG12 VAL 83 -8.562 6.093 -1.365 624 HG13 VAL 83 HG13 VAL 83 -10.194 5.477 -1.119 625 HG21 VAL 83 HG21 VAL 83 -7.385 7.046 0.761 626 HG22 VAL 83 HG22 VAL 83 -8.102 5.862 1.859 627 HG23 VAL 83 HG23 VAL 83 -8.407 7.585 2.090 628 H LYS 84 H LYS 84 -10.209 7.622 -2.602 629 HA LYS 84 HA LYS 84 -13.133 7.515 -2.312 630 HB2 LYS 84 HB2 LYS 84 -13.363 8.778 -4.440 631 HB3 LYS 84 HB3 LYS 84 -12.668 9.739 -3.144 632 HG2 LYS 84 HG2 LYS 84 -10.400 9.045 -4.148 633 HG3 LYS 84 HG3 LYS 84 -11.343 8.618 -5.576 634 HD2 LYS 84 HD2 LYS 84 -12.168 10.880 -5.756 635 HD3 LYS 84 HD3 LYS 84 -11.363 11.324 -4.248 636 HE2 LYS 84 HE2 LYS 84 -9.191 10.811 -5.277 637 HE3 LYS 84 HE3 LYS 84 -10.010 10.424 -6.788 638 HZ1 LYS 84 HZ1 LYS 84 -9.100 12.661 -6.803 639 HZ2 LYS 84 HZ2 LYS 84 -10.027 13.069 -5.449 640 HZ3 LYS 84 HZ3 LYS 84 -10.791 12.704 -6.909 641 H MET 85 H MET 85 -13.976 6.795 -4.697 642 HA MET 85 HA MET 85 -12.222 4.613 -5.597 643 HB2 MET 85 HB2 MET 85 -14.711 4.364 -4.213 644 HB3 MET 85 HB3 MET 85 -14.928 3.793 -5.856 645 HG2 MET 85 HG2 MET 85 -13.036 2.274 -5.569 646 HG3 MET 85 HG3 MET 85 -12.852 2.836 -3.908 647 HE1 MET 85 HE1 MET 85 -13.320 0.826 -2.384 648 HE2 MET 85 HE2 MET 85 -12.882 0.022 -3.893 649 HE3 MET 85 HE3 MET 85 -14.270 -0.547 -2.958 650 H GLU 86 H GLU 86 -12.090 4.377 -7.762 651 HA GLU 86 HA GLU 86 -14.081 5.783 -9.410 652 HB2 GLU 86 HB2 GLU 86 -12.214 6.334 -11.005 653 HB3 GLU 86 HB3 GLU 86 -12.170 7.199 -9.478 654 HG2 GLU 86 HG2 GLU 86 -10.338 5.977 -8.696 655 HG3 GLU 86 HG3 GLU 86 -10.567 4.702 -9.897 656 H GLY 87 H GLY 87 -15.172 4.273 -10.441 657 HA2 GLY 87 HA2 GLY 87 -15.659 2.467 -11.767 658 HA3 GLY 87 HA3 GLY 87 -14.012 2.585 -12.363 659 H GLY 88 H GLY 88 -14.829 1.992 -8.994 660 HA2 GLY 88 HA2 GLY 88 -14.743 0.004 -7.772 661 HA3 GLY 88 HA3 GLY 88 -14.409 -0.862 -9.262 662 H LYS 89 H LYS 89 -12.489 1.886 -8.588 663 HA LYS 89 HA LYS 89 -10.265 0.180 -7.667 664 HB2 LYS 89 HB2 LYS 89 -10.060 2.637 -9.412 665 HB3 LYS 89 HB3 LYS 89 -8.732 1.612 -8.885 666 HG2 LYS 89 HG2 LYS 89 -9.676 -0.242 -10.185 667 HG3 LYS 89 HG3 LYS 89 -10.973 0.822 -10.738 668 HD2 LYS 89 HD2 LYS 89 -8.059 1.461 -11.152 669 HD3 LYS 89 HD3 LYS 89 -8.995 0.524 -12.316 670 HE2 LYS 89 HE2 LYS 89 -10.230 2.318 -12.978 671 HE3 LYS 89 HE3 LYS 89 -10.146 3.099 -11.402 672 HZ1 LYS 89 HZ1 LYS 89 -7.562 3.104 -12.344 673 HZ2 LYS 89 HZ2 LYS 89 -8.622 4.426 -12.289 674 HZ3 LYS 89 HZ3 LYS 89 -8.503 3.491 -13.695 675 H ILE 90 H ILE 90 -9.368 0.810 -5.777 676 HA ILE 90 HA ILE 90 -10.420 3.165 -4.479 677 HB ILE 90 HB ILE 90 -8.182 1.489 -3.380 678 HG12 ILE 90 HG12 ILE 90 -11.101 0.828 -3.614 679 HG13 ILE 90 HG13 ILE 90 -9.708 -0.221 -3.836 680 HG21 ILE 90 HG21 ILE 90 -8.753 3.588 -2.265 681 HG22 ILE 90 HG22 ILE 90 -9.086 2.186 -1.248 682 HG23 ILE 90 HG23 ILE 90 -10.412 3.022 -2.063 683 HD11 ILE 90 HD11 ILE 90 -10.872 0.761 -1.241 684 HD12 ILE 90 HD12 ILE 90 -9.320 -0.071 -1.368 685 HD13 ILE 90 HD13 ILE 90 -10.801 -0.899 -1.846 686 H VAL 91 H VAL 91 -9.591 5.118 -4.743 687 HA VAL 91 HA VAL 91 -6.705 5.363 -5.229 688 HB VAL 91 HB VAL 91 -7.861 5.878 -7.266 689 HG11 VAL 91 HG11 VAL 91 -10.061 6.363 -6.388 690 HG12 VAL 91 HG12 VAL 91 -9.513 7.661 -7.448 691 HG13 VAL 91 HG13 VAL 91 -9.468 7.874 -5.700 692 HG21 VAL 91 HG21 VAL 91 -6.934 8.400 -5.903 693 HG22 VAL 91 HG22 VAL 91 -7.139 8.201 -7.643 694 HG23 VAL 91 HG23 VAL 91 -5.926 7.252 -6.783 695 H ALA 92 H ALA 92 -5.612 6.646 -3.911 696 HA ALA 92 HA ALA 92 -7.140 8.286 -1.997 697 HB1 ALA 92 HB1 ALA 92 -5.866 6.384 -1.046 698 HB2 ALA 92 HB2 ALA 92 -5.363 7.956 -0.417 699 HB3 ALA 92 HB3 ALA 92 -4.380 7.138 -1.632 700 H ASP 93 H ASP 93 -6.584 10.407 -1.666 701 HA ASP 93 HA ASP 93 -4.912 11.594 -3.732 702 HB2 ASP 93 HB2 ASP 93 -6.983 12.712 -3.508 703 HB3 ASP 93 HB3 ASP 93 -6.872 12.737 -1.753 704 H PHE 94 H PHE 94 -2.893 12.128 -3.422 705 HA PHE 94 HA PHE 94 -1.995 13.114 -0.828 706 HB2 PHE 94 HB2 PHE 94 -0.833 10.729 -2.257 707 HB3 PHE 94 HB3 PHE 94 0.086 11.659 -1.075 708 HD1 PHE 94 HD1 PHE 94 -0.769 11.793 1.280 709 HD2 PHE 94 HD2 PHE 94 -2.368 9.121 -1.616 710 HE1 PHE 94 HE1 PHE 94 -1.779 10.459 3.083 711 HE2 PHE 94 HE2 PHE 94 -3.401 7.794 0.186 712 HZ PHE 94 HZ PHE 94 -3.095 8.454 2.533 713 HA PRO 95 HA PRO 95 0.341 15.853 -3.404 714 HB2 PRO 95 HB2 PRO 95 2.385 16.492 -1.719 715 HB3 PRO 95 HB3 PRO 95 0.738 17.109 -1.510 716 HG2 PRO 95 HG2 PRO 95 2.113 14.893 -0.084 717 HG3 PRO 95 HG3 PRO 95 1.005 16.132 0.544 718 HD2 PRO 95 HD2 PRO 95 0.236 13.582 0.004 719 HD3 PRO 95 HD3 PRO 95 -0.860 14.974 -0.083 720 H ASN 96 H ASN 96 1.389 15.019 -5.098 721 HA ASN 96 HA ASN 96 2.937 14.057 -6.410 722 HB2 ASN 96 HB2 ASN 96 4.495 14.751 -3.983 723 HB3 ASN 96 HB3 ASN 96 5.218 13.602 -5.097 724 HD21 ASN 96 HD21 ASN 96 6.796 14.834 -5.952 725 HD22 ASN 96 HD22 ASN 96 6.511 16.280 -6.857 726 H TYR 97 H TYR 97 1.185 12.503 -4.495 727 HA TYR 97 HA TYR 97 2.433 9.896 -5.011 728 HB2 TYR 97 HB2 TYR 97 2.782 10.698 -2.576 729 HB3 TYR 97 HB3 TYR 97 1.055 10.436 -2.384 730 HD1 TYR 97 HD1 TYR 97 0.206 8.034 -3.127 731 HD2 TYR 97 HD2 TYR 97 4.229 8.964 -2.094 732 HE1 TYR 97 HE1 TYR 97 0.630 5.661 -2.646 733 HE2 TYR 97 HE2 TYR 97 4.660 6.598 -1.605 734 HH TYR 97 HH TYR 97 2.387 4.102 -2.409 735 H HIS 98 H HIS 98 1.087 8.674 -6.036 736 HA HIS 98 HA HIS 98 -1.810 9.155 -5.784 737 HB2 HIS 98 HB2 HIS 98 -0.738 9.870 -7.989 738 HB3 HIS 98 HB3 HIS 98 -0.408 8.168 -8.280 739 HD1 HIS 98 HD1 HIS 98 -3.392 10.447 -7.674 740 HD2 HIS 98 HD2 HIS 98 -2.416 6.852 -9.520 741 HE1 HIS 98 HE1 HIS 98 -5.468 9.729 -8.905 742 HE2 HIS 98 HE2 HIS 98 -4.800 7.640 -10.144 743 H HIS 99 H HIS 99 -2.442 7.530 -4.496 744 HA HIS 99 HA HIS 99 -1.326 4.848 -4.919 745 HB2 HIS 99 HB2 HIS 99 -1.471 6.098 -2.625 746 HB3 HIS 99 HB3 HIS 99 -3.156 5.591 -2.661 747 HD2 HIS 99 HD2 HIS 99 -3.551 2.785 -2.566 748 HE1 HIS 99 HE1 HIS 99 0.369 2.058 -1.162 749 HE2 HIS 99 HE2 HIS 99 -1.881 1.004 -1.666 750 H THR 100 H THR 100 -2.471 3.400 -6.007 751 HA THR 100 HA THR 100 -5.405 3.478 -5.889 752 HB THR 100 HB THR 100 -5.484 2.867 -8.316 753 HG1 THR 100 HG1 THR 100 -2.815 2.815 -7.967 754 HG21 THR 100 HG21 THR 100 -5.936 5.160 -7.594 755 HG22 THR 100 HG22 THR 100 -5.103 5.152 -9.146 756 HG23 THR 100 HG23 THR 100 -4.216 5.532 -7.670 757 H ALA 101 H ALA 101 -6.416 1.475 -6.092 758 HA ALA 101 HA ALA 101 -4.692 -0.891 -6.350 759 HB1 ALA 101 HB1 ALA 101 -6.817 -0.599 -4.229 760 HB2 ALA 101 HB2 ALA 101 -5.093 -0.370 -3.939 761 HB3 ALA 101 HB3 ALA 101 -5.701 -1.947 -4.443 762 H GLU 102 H GLU 102 -5.603 -2.529 -7.536 763 HA GLU 102 HA GLU 102 -8.476 -2.559 -7.983 764 HB2 GLU 102 HB2 GLU 102 -8.346 -2.525 -10.387 765 HB3 GLU 102 HB3 GLU 102 -7.600 -1.059 -9.756 766 HG2 GLU 102 HG2 GLU 102 -5.384 -2.220 -10.009 767 HG3 GLU 102 HG3 GLU 102 -6.242 -3.496 -10.866 768 H ILE 103 H ILE 103 -9.024 -4.424 -9.526 769 HA ILE 103 HA ILE 103 -7.324 -6.721 -8.816 770 HB ILE 103 HB ILE 103 -10.281 -6.762 -9.412 771 HG12 ILE 103 HG12 ILE 103 -9.726 -5.577 -7.268 772 HG13 ILE 103 HG13 ILE 103 -10.688 -7.034 -7.050 773 HG21 ILE 103 HG21 ILE 103 -10.235 -9.037 -8.688 774 HG22 ILE 103 HG22 ILE 103 -8.536 -8.900 -8.230 775 HG23 ILE 103 HG23 ILE 103 -9.004 -8.813 -9.929 776 HD11 ILE 103 HD11 ILE 103 -8.904 -6.764 -5.376 777 HD12 ILE 103 HD12 ILE 103 -7.707 -6.885 -6.666 778 HD13 ILE 103 HD13 ILE 103 -8.763 -8.255 -6.307 779 H SER 104 H SER 104 -6.369 -7.703 -10.458 780 HA SER 104 HA SER 104 -7.293 -7.154 -13.180 781 HB2 SER 104 HB2 SER 104 -4.871 -6.875 -12.513 782 HB3 SER 104 HB3 SER 104 -4.797 -8.624 -12.305 783 HG SER 104 HG SER 104 -4.229 -7.489 -14.454 784 H GLY 105 H GLY 105 -5.597 -10.010 -13.273 785 HA2 GLY 105 HA2 GLY 105 -8.000 -11.543 -13.732 786 HA3 GLY 105 HA3 GLY 105 -6.344 -12.123 -13.884 787 H GLY 106 H GLY 106 -8.515 -10.940 -11.318 788 HA2 GLY 106 HA2 GLY 106 -9.091 -11.908 -9.300 789 HA3 GLY 106 HA3 GLY 106 -8.276 -13.375 -9.822 790 H LYS 107 H LYS 107 -6.541 -10.412 -9.934 791 HA LYS 107 HA LYS 107 -5.127 -11.071 -7.442 792 HB2 LYS 107 HB2 LYS 107 -4.021 -10.748 -10.185 793 HB3 LYS 107 HB3 LYS 107 -3.072 -10.143 -8.832 794 HG2 LYS 107 HG2 LYS 107 -2.459 -12.186 -8.208 795 HG3 LYS 107 HG3 LYS 107 -4.088 -12.835 -8.393 796 HD2 LYS 107 HD2 LYS 107 -3.756 -13.051 -10.792 797 HD3 LYS 107 HD3 LYS 107 -2.154 -12.326 -10.649 798 HE2 LYS 107 HE2 LYS 107 -2.229 -14.459 -8.819 799 HE3 LYS 107 HE3 LYS 107 -2.935 -15.059 -10.318 800 HZ1 LYS 107 HZ1 LYS 107 -0.963 -14.220 -11.490 801 HZ2 LYS 107 HZ2 LYS 107 -0.581 -15.403 -10.344 802 HZ3 LYS 107 HZ3 LYS 107 -0.282 -13.771 -10.004 803 H LEU 108 H LEU 108 -4.266 -9.375 -6.329 804 HA LEU 108 HA LEU 108 -5.453 -6.777 -6.890 805 HB2 LEU 108 HB2 LEU 108 -5.533 -7.841 -4.623 806 HB3 LEU 108 HB3 LEU 108 -3.791 -7.722 -4.544 807 HG LEU 108 HG LEU 108 -5.140 -5.994 -3.271 808 HD11 LEU 108 HD11 LEU 108 -3.081 -5.010 -5.216 809 HD12 LEU 108 HD12 LEU 108 -2.767 -5.726 -3.636 810 HD13 LEU 108 HD13 LEU 108 -3.597 -4.173 -3.754 811 HD21 LEU 108 HD21 LEU 108 -5.920 -4.046 -4.505 812 HD22 LEU 108 HD22 LEU 108 -6.802 -5.503 -4.970 813 HD23 LEU 108 HD23 LEU 108 -5.543 -4.861 -6.025 814 H VAL 109 H VAL 109 -4.365 -5.306 -7.971 815 HA VAL 109 HA VAL 109 -1.438 -5.351 -7.792 816 HB VAL 109 HB VAL 109 -1.879 -5.933 -10.026 817 HG11 VAL 109 HG11 VAL 109 -4.277 -5.368 -10.014 818 HG12 VAL 109 HG12 VAL 109 -3.454 -4.853 -11.487 819 HG13 VAL 109 HG13 VAL 109 -3.854 -3.672 -10.240 820 HG21 VAL 109 HG21 VAL 109 -1.425 -2.954 -9.978 821 HG22 VAL 109 HG22 VAL 109 -1.074 -4.029 -11.332 822 HG23 VAL 109 HG23 VAL 109 -0.192 -4.201 -9.814 823 H GLU 110 H GLU 110 -0.761 -3.792 -6.611 824 HA GLU 110 HA GLU 110 -2.365 -1.377 -6.270 825 HB2 GLU 110 HB2 GLU 110 -1.445 -2.820 -4.352 826 HB3 GLU 110 HB3 GLU 110 0.117 -2.125 -4.745 827 HG2 GLU 110 HG2 GLU 110 -0.667 0.080 -4.230 828 HG3 GLU 110 HG3 GLU 110 -2.311 -0.518 -3.997 829 H ILE 111 H ILE 111 -1.686 0.608 -6.860 830 HA ILE 111 HA ILE 111 0.965 0.805 -8.130 831 HB ILE 111 HB ILE 111 -1.595 2.084 -9.107 832 HG12 ILE 111 HG12 ILE 111 -0.649 0.759 -11.241 833 HG13 ILE 111 HG13 ILE 111 -0.005 -0.274 -9.974 834 HG21 ILE 111 HG21 ILE 111 1.178 2.311 -10.263 835 HG22 ILE 111 HG22 ILE 111 0.366 3.563 -9.322 836 HG23 ILE 111 HG23 ILE 111 -0.291 3.068 -10.879 837 HD11 ILE 111 HD11 ILE 111 -2.902 0.462 -10.320 838 HD12 ILE 111 HD12 ILE 111 -2.240 -0.625 -9.099 839 HD13 ILE 111 HD13 ILE 111 -2.157 -1.060 -10.808 840 H SER 112 H SER 112 2.221 2.309 -7.300 841 HA SER 112 HA SER 112 1.015 4.604 -5.876 842 HB2 SER 112 HB2 SER 112 3.500 3.024 -5.146 843 HB3 SER 112 HB3 SER 112 2.989 4.513 -4.356 844 HG SER 112 HG SER 112 0.948 2.771 -4.412 845 H THR 113 H THR 113 1.411 6.377 -6.999 846 HA THR 113 HA THR 113 3.882 6.527 -8.583 847 HB THR 113 HB THR 113 1.823 8.646 -8.805 848 HG1 THR 113 HG1 THR 113 1.230 5.996 -9.046 849 HG21 THR 113 HG21 THR 113 3.519 7.067 -10.732 850 HG22 THR 113 HG22 THR 113 3.764 8.736 -10.217 851 HG23 THR 113 HG23 THR 113 2.375 8.314 -11.219 852 H SER 114 H SER 114 5.447 7.954 -8.085 853 HA SER 114 HA SER 114 4.838 10.145 -6.259 854 HB2 SER 114 HB2 SER 114 6.125 7.791 -5.398 855 HB3 SER 114 HB3 SER 114 7.386 9.015 -5.528 856 HG SER 114 HG SER 114 5.255 10.138 -4.397 857 H SER 115 H SER 115 5.405 11.854 -7.306 858 HA SER 115 HA SER 115 6.483 13.346 -8.608 859 HB2 SER 115 HB2 SER 115 8.881 11.778 -7.644 860 HB3 SER 115 HB3 SER 115 8.977 13.335 -8.468 861 HG SER 115 HG SER 115 8.895 13.993 -6.442 862 H GLY 116 H GLY 116 5.492 10.913 -9.873 863 HA2 GLY 116 HA2 GLY 116 5.484 10.686 -12.273 864 HA3 GLY 116 HA3 GLY 116 7.207 11.030 -12.270 865 H VAL 117 H VAL 117 7.829 9.212 -10.078 866 HA VAL 117 HA VAL 117 8.174 6.863 -11.646 867 HB VAL 117 HB VAL 117 8.688 7.317 -8.700 868 HG11 VAL 117 HG11 VAL 117 10.142 5.309 -8.895 869 HG12 VAL 117 HG12 VAL 117 9.459 5.021 -10.498 870 HG13 VAL 117 HG13 VAL 117 8.419 4.961 -9.072 871 HG21 VAL 117 HG21 VAL 117 10.522 7.352 -11.094 872 HG22 VAL 117 HG22 VAL 117 11.043 7.461 -9.413 873 HG23 VAL 117 HG23 VAL 117 10.047 8.736 -10.115 874 H VAL 118 H VAL 118 6.897 5.166 -11.860 875 HA VAL 118 HA VAL 118 4.566 4.937 -10.093 876 HB VAL 118 HB VAL 118 5.001 3.566 -12.747 877 HG11 VAL 118 HG11 VAL 118 3.375 2.444 -11.380 878 HG12 VAL 118 HG12 VAL 118 2.545 3.310 -12.675 879 HG13 VAL 118 HG13 VAL 118 2.557 3.969 -11.040 880 HG21 VAL 118 HG21 VAL 118 4.950 6.111 -12.793 881 HG22 VAL 118 HG22 VAL 118 3.261 5.959 -12.299 882 HG23 VAL 118 HG23 VAL 118 3.802 5.258 -13.824 883 H TYR 119 H TYR 119 4.699 3.514 -8.548 884 HA TYR 119 HA TYR 119 6.372 1.117 -8.899 885 HB2 TYR 119 HB2 TYR 119 7.035 2.248 -6.917 886 HB3 TYR 119 HB3 TYR 119 5.373 2.552 -6.437 887 HD1 TYR 119 HD1 TYR 119 7.448 -0.453 -7.279 888 HD2 TYR 119 HD2 TYR 119 4.682 1.349 -4.602 889 HE1 TYR 119 HE1 TYR 119 7.472 -2.485 -5.898 890 HE2 TYR 119 HE2 TYR 119 4.700 -0.675 -3.209 891 HH TYR 119 HH TYR 119 6.919 -3.330 -3.844 892 H LYS 120 H LYS 120 5.390 -0.779 -9.209 893 HA LYS 120 HA LYS 120 2.562 -1.002 -8.460 894 HB2 LYS 120 HB2 LYS 120 3.946 -2.136 -10.893 895 HB3 LYS 120 HB3 LYS 120 2.259 -2.389 -10.460 896 HG2 LYS 120 HG2 LYS 120 1.638 -0.314 -11.099 897 HG3 LYS 120 HG3 LYS 120 3.176 0.406 -10.625 898 HD2 LYS 120 HD2 LYS 120 3.168 0.568 -12.952 899 HD3 LYS 120 HD3 LYS 120 4.158 -0.855 -12.624 900 HE2 LYS 120 HE2 LYS 120 2.007 -2.196 -12.900 901 HE3 LYS 120 HE3 LYS 120 1.330 -0.727 -13.604 902 HZ1 LYS 120 HZ1 LYS 120 3.816 -2.041 -14.573 903 HZ2 LYS 120 HZ2 LYS 120 2.972 -0.763 -15.312 904 HZ3 LYS 120 HZ3 LYS 120 2.281 -2.306 -15.248 905 H ARG 121 H ARG 121 1.865 -2.965 -7.699 906 HA ARG 121 HA ARG 121 3.826 -5.106 -7.384 907 HB2 ARG 121 HB2 ARG 121 2.946 -5.236 -4.908 908 HB3 ARG 121 HB3 ARG 121 4.280 -4.166 -5.328 909 HG2 ARG 121 HG2 ARG 121 3.029 -2.275 -5.075 910 HG3 ARG 121 HG3 ARG 121 1.518 -3.095 -5.471 911 HD2 ARG 121 HD2 ARG 121 1.471 -2.545 -3.150 912 HD3 ARG 121 HD3 ARG 121 1.675 -4.287 -3.293 913 HE ARG 121 HE ARG 121 4.176 -3.633 -3.005 914 HH11 ARG 121 HH11 ARG 121 1.403 -2.100 -1.441 915 HH12 ARG 121 HH12 ARG 121 2.329 -1.742 0.071 916 HH21 ARG 121 HH21 ARG 121 5.361 -3.202 -1.101 917 HH22 ARG 121 HH22 ARG 121 4.534 -2.366 0.262 918 H THR 122 H THR 122 2.947 -7.046 -7.619 919 HA THR 122 HA THR 122 0.029 -7.238 -7.789 920 HB THR 122 HB THR 122 2.091 -9.247 -8.710 921 HG1 THR 122 HG1 THR 122 1.338 -6.872 -9.777 922 HG21 THR 122 HG21 THR 122 -0.282 -10.010 -8.251 923 HG22 THR 122 HG22 THR 122 0.304 -10.286 -9.890 924 HG23 THR 122 HG23 THR 122 -0.785 -8.943 -9.558 925 H SER 123 H SER 123 -1.079 -8.272 -6.242 926 HA SER 123 HA SER 123 0.457 -10.056 -4.470 927 HB2 SER 123 HB2 SER 123 -1.887 -8.428 -3.511 928 HB3 SER 123 HB3 SER 123 -0.592 -9.170 -2.569 929 HG SER 123 HG SER 123 -0.260 -7.002 -4.371 930 H LYS 124 H LYS 124 -0.297 -12.050 -4.383 931 HA LYS 124 HA LYS 124 -2.718 -12.800 -5.697 932 HB2 LYS 124 HB2 LYS 124 -2.200 -15.069 -4.860 933 HB3 LYS 124 HB3 LYS 124 -0.811 -14.326 -5.641 934 HG2 LYS 124 HG2 LYS 124 0.365 -14.130 -3.692 935 HG3 LYS 124 HG3 LYS 124 -1.093 -14.017 -2.705 936 HD2 LYS 124 HD2 LYS 124 -1.410 -16.318 -2.689 937 HD3 LYS 124 HD3 LYS 124 -0.411 -16.564 -4.122 938 HE2 LYS 124 HE2 LYS 124 1.519 -16.572 -2.948 939 HE3 LYS 124 HE3 LYS 124 0.941 -15.385 -1.782 940 HZ1 LYS 124 HZ1 LYS 124 -0.467 -17.857 -1.570 941 HZ2 LYS 124 HZ2 LYS 124 0.361 -16.984 -0.372 942 HZ3 LYS 124 HZ3 LYS 124 1.195 -18.073 -1.368 943 H LYS 125 H LYS 125 -4.489 -13.937 -4.659 944 HA LYS 125 HA LYS 125 -5.155 -12.694 -2.089 945 HB2 LYS 125 HB2 LYS 125 -6.592 -12.571 -4.304 946 HB3 LYS 125 HB3 LYS 125 -7.167 -14.140 -3.762 947 HG2 LYS 125 HG2 LYS 125 -7.276 -11.673 -2.042 948 HG3 LYS 125 HG3 LYS 125 -8.581 -12.167 -3.119 949 HD2 LYS 125 HD2 LYS 125 -7.562 -14.246 -1.301 950 HD3 LYS 125 HD3 LYS 125 -8.403 -12.902 -0.532 951 HE2 LYS 125 HE2 LYS 125 -9.888 -14.794 -1.099 952 HE3 LYS 125 HE3 LYS 125 -10.356 -13.281 -1.877 953 HZ1 LYS 125 HZ1 LYS 125 -8.899 -15.545 -3.145 954 HZ2 LYS 125 HZ2 LYS 125 -9.240 -14.074 -3.905 955 HZ3 LYS 125 HZ3 LYS 125 -10.502 -15.093 -3.435 956 H ILE 126 H ILE 126 -5.255 -13.853 -0.307 957 HA ILE 126 HA ILE 126 -5.862 -16.719 -0.430 958 HB ILE 126 HB ILE 126 -3.812 -16.117 1.576 959 HG12 ILE 126 HG12 ILE 126 -2.020 -16.424 -0.357 960 HG13 ILE 126 HG13 ILE 126 -3.248 -15.594 -1.309 961 HG21 ILE 126 HG21 ILE 126 -3.853 -18.216 -0.578 962 HG22 ILE 126 HG22 ILE 126 -4.717 -18.359 0.952 963 HG23 ILE 126 HG23 ILE 126 -2.957 -18.245 0.942 964 HD11 ILE 126 HD11 ILE 126 -3.231 -13.776 0.376 965 HD12 ILE 126 HD12 ILE 126 -1.703 -13.983 -0.479 966 HD13 ILE 126 HD13 ILE 126 -1.881 -14.588 1.168 967 H ALA 127 H ALA 127 -6.273 -17.555 1.874 968 HA ALA 127 HA ALA 127 -7.175 -15.400 3.635 969 HB1 ALA 127 HB1 ALA 127 -9.118 -16.170 2.331 970 HB2 ALA 127 HB2 ALA 127 -9.290 -16.485 4.057 971 HB3 ALA 127 HB3 ALA 127 -8.871 -17.802 2.959 972 H11 CHO 200 H11 CHO 200 6.353 0.298 -1.218 973 H12 CHO 200 H12 CHO 200 6.953 -0.912 -0.047 974 H21 CHO 200 H21 CHO 200 5.174 -0.291 1.533 975 H22 CHO 200 H22 CHO 200 4.481 -0.778 -0.038 976 H3 CHO 200 H3 CHO 200 4.240 1.596 -0.680 977 HO3 CHO 200 HO3 CHO 200 3.191 0.918 1.939 978 H41 CHO 200 H41 CHO 200 5.294 2.144 2.131 979 H42 CHO 200 H42 CHO 200 4.704 3.363 0.972 980 H5 CHO 200 H5 CHO 200 6.484 2.723 -0.614 981 H61 CHO 200 H61 CHO 200 6.862 4.513 1.086 982 H62 CHO 200 H62 CHO 200 8.368 3.674 0.650 983 H7 CHO 200 H7 CHO 200 8.225 3.947 3.084 984 HO7 CHO 200 HO7 CHO 200 6.486 2.918 4.238 985 H8 CHO 200 H8 CHO 200 9.306 1.942 2.245 986 H9 CHO 200 H9 CHO 200 6.545 0.669 2.469 987 H111 CHO 200 H111 CHO 200 9.176 -0.562 1.594 988 H112 CHO 200 H112 CHO 200 7.572 -1.363 1.666 989 H121 CHO 200 H121 CHO 200 9.009 -1.929 3.622 990 H122 CHO 200 H122 CHO 200 7.506 -1.105 4.087 991 H14 CHO 200 H14 CHO 200 7.470 1.425 4.548 992 H151 CHO 200 H151 CHO 200 8.906 3.245 5.293 993 H152 CHO 200 H152 CHO 200 10.304 2.652 4.472 994 H161 CHO 200 H161 CHO 200 9.069 1.724 7.060 995 H162 CHO 200 H162 CHO 200 10.734 1.535 6.554 996 H17 CHO 200 H17 CHO 200 8.462 -0.377 6.213 997 H181 CHO 200 H181 CHO 200 10.923 1.341 3.593 998 H182 CHO 200 H182 CHO 200 10.621 -0.089 2.578 999 H183 CHO 200 H183 CHO 200 11.394 -0.275 4.170 1000 H191 CHO 200 H191 CHO 200 8.930 2.276 -0.311 1001 H192 CHO 200 H192 CHO 200 8.607 0.741 -1.153 1002 H193 CHO 200 H193 CHO 200 9.425 0.735 0.427 1003 H20 CHO 200 H20 CHO 200 11.405 -0.682 5.833 1004 H211 CHO 200 H211 CHO 200 9.984 -3.080 6.534 1005 H212 CHO 200 H212 CHO 200 10.987 -2.747 5.102 1006 H213 CHO 200 H213 CHO 200 9.248 -2.369 5.078 1007 H221 CHO 200 H221 CHO 200 9.541 -1.301 8.162 1008 H222 CHO 200 H222 CHO 200 10.787 -0.014 8.105 1009 H231 CHO 200 H231 CHO 200 12.545 -1.713 7.860 1010 H232 CHO 200 H232 CHO 200 11.304 -3.001 7.913 1011 HN CHO 200 HN CHO 200 11.429 -4.049 9.819 1012 H261 CHO 200 H261 CHO 200 11.467 -4.455 12.037 1013 H262 CHO 200 H262 CHO 200 10.764 -2.834 12.264 1014 H11 CHO 201 H11 CHO 201 -6.364 4.639 0.398 1015 H12 CHO 201 H12 CHO 201 -4.876 5.304 -0.346 1016 H21 CHO 201 H21 CHO 201 -4.051 3.043 -0.782 1017 H22 CHO 201 H22 CHO 201 -5.666 3.264 -1.509 1018 H3 CHO 201 H3 CHO 201 -6.702 2.122 0.424 1019 HO3 CHO 201 HO3 CHO 201 -6.254 0.618 -1.093 1020 H41 CHO 201 H41 CHO 201 -3.813 1.758 1.345 1021 H42 CHO 201 H42 CHO 201 -5.246 1.042 2.118 1022 H5 CHO 201 H5 CHO 201 -6.153 3.318 2.517 1023 H61 CHO 201 H61 CHO 201 -4.724 2.163 4.211 1024 H62 CHO 201 H62 CHO 201 -4.623 3.941 4.305 1025 H7 CHO 201 H7 CHO 201 -2.387 2.989 4.482 1026 HO7 CHO 201 HO7 CHO 201 -2.684 1.929 1.819 1027 H8 CHO 201 H8 CHO 201 -2.602 5.096 3.298 1028 H9 CHO 201 H9 CHO 201 -2.860 3.367 0.796 1029 H111 CHO 201 H111 CHO 201 -2.848 6.386 1.029 1030 H112 CHO 201 H112 CHO 201 -2.976 5.384 -0.463 1031 H121 CHO 201 H121 CHO 201 -0.694 6.343 -0.127 1032 H122 CHO 201 H122 CHO 201 -0.710 4.572 -0.172 1033 H14 CHO 201 H14 CHO 201 -0.729 3.180 1.967 1034 H151 CHO 201 H151 CHO 201 -0.059 3.299 4.340 1035 H152 CHO 201 H152 CHO 201 -0.318 4.989 4.461 1036 H161 CHO 201 H161 CHO 201 1.831 3.465 2.892 1037 H162 CHO 201 H162 CHO 201 2.050 4.944 3.800 1038 H17 CHO 201 H17 CHO 201 1.484 4.708 0.959 1039 H181 CHO 201 H181 CHO 201 -0.838 7.512 1.989 1040 H182 CHO 201 H182 CHO 201 -0.149 6.765 3.451 1041 H183 CHO 201 H183 CHO 201 -1.846 6.459 3.010 1042 H191 CHO 201 H191 CHO 201 -4.790 6.539 1.731 1043 H192 CHO 201 H192 CHO 201 -4.153 5.752 3.195 1044 H193 CHO 201 H193 CHO 201 -5.880 5.613 2.790 1045 H20 CHO 201 H20 CHO 201 1.508 7.129 2.727 1046 H211 CHO 201 H211 CHO 201 1.233 6.718 -0.206 1047 H212 CHO 201 H212 CHO 201 2.381 7.975 0.314 1048 H213 CHO 201 H213 CHO 201 0.678 8.058 0.825 1049 H221 CHO 201 H221 CHO 201 3.702 5.785 1.105 1050 H222 CHO 201 H222 CHO 201 3.561 5.804 2.889 1051 H231 CHO 201 H231 CHO 201 3.686 8.288 2.836 1052 H232 CHO 201 H232 CHO 201 3.959 8.191 1.064 1053 HN CHO 201 HN CHO 201 5.254 5.750 3.275 1054 H261 CHO 201 H261 CHO 201 7.982 6.846 2.851 1055 H262 CHO 201 H262 CHO 201 7.580 5.115 2.808 Start of MODEL 3 1 H ALA 1 H ALA 1 -12.791 -10.739 -4.025 2 HA ALA 1 HA ALA 1 -12.261 -9.161 -5.749 3 HB1 ALA 1 HB1 ALA 1 -14.388 -8.067 -5.948 4 HB2 ALA 1 HB2 ALA 1 -13.156 -6.867 -5.574 5 HB3 ALA 1 HB3 ALA 1 -14.254 -7.422 -4.315 6 H PHE 2 H PHE 2 -12.584 -6.605 -3.637 7 HA PHE 2 HA PHE 2 -9.853 -6.517 -3.010 8 HB2 PHE 2 HB2 PHE 2 -12.215 -5.022 -1.877 9 HB3 PHE 2 HB3 PHE 2 -10.550 -4.683 -1.414 10 HD1 PHE 2 HD1 PHE 2 -8.971 -3.763 -3.050 11 HD2 PHE 2 HD2 PHE 2 -13.082 -4.326 -3.988 12 HE1 PHE 2 HE1 PHE 2 -8.733 -2.268 -4.986 13 HE2 PHE 2 HE2 PHE 2 -12.849 -2.835 -5.926 14 HZ PHE 2 HZ PHE 2 -10.669 -1.806 -6.424 15 H THR 3 H THR 3 -12.644 -7.553 -1.085 16 HA THR 3 HA THR 3 -11.456 -7.827 1.390 17 HB THR 3 HB THR 3 -13.432 -9.859 0.435 18 HG1 THR 3 HG1 THR 3 -15.062 -8.247 0.691 19 HG21 THR 3 HG21 THR 3 -13.137 -8.251 2.976 20 HG22 THR 3 HG22 THR 3 -12.637 -9.928 2.749 21 HG23 THR 3 HG23 THR 3 -14.349 -9.501 2.683 22 H GLY 4 H GLY 4 -10.352 -9.410 2.450 23 HA2 GLY 4 HA2 GLY 4 -9.742 -11.824 2.477 24 HA3 GLY 4 HA3 GLY 4 -9.374 -11.621 0.770 25 H LYS 5 H LYS 5 -7.420 -12.659 2.179 26 HA LYS 5 HA LYS 5 -5.644 -10.455 2.927 27 HB2 LYS 5 HB2 LYS 5 -4.577 -11.856 4.353 28 HB3 LYS 5 HB3 LYS 5 -6.068 -12.777 4.246 29 HG2 LYS 5 HG2 LYS 5 -4.909 -14.018 2.315 30 HG3 LYS 5 HG3 LYS 5 -3.421 -13.310 2.945 31 HD2 LYS 5 HD2 LYS 5 -5.348 -14.926 4.606 32 HD3 LYS 5 HD3 LYS 5 -3.946 -15.615 3.789 33 HE2 LYS 5 HE2 LYS 5 -2.709 -15.080 5.552 34 HE3 LYS 5 HE3 LYS 5 -3.010 -13.380 5.201 35 HZ1 LYS 5 HZ1 LYS 5 -3.606 -14.168 7.502 36 HZ2 LYS 5 HZ2 LYS 5 -4.887 -15.021 6.801 37 HZ3 LYS 5 HZ3 LYS 5 -4.824 -13.330 6.678 38 H TYR 6 H TYR 6 -3.693 -10.110 1.872 39 HA TYR 6 HA TYR 6 -3.316 -11.619 -0.635 40 HB2 TYR 6 HB2 TYR 6 -3.235 -8.646 -0.155 41 HB3 TYR 6 HB3 TYR 6 -2.405 -9.371 -1.522 42 HD1 TYR 6 HD1 TYR 6 -5.665 -8.598 -0.044 43 HD2 TYR 6 HD2 TYR 6 -3.638 -10.258 -3.393 44 HE1 TYR 6 HE1 TYR 6 -7.752 -8.501 -1.354 45 HE2 TYR 6 HE2 TYR 6 -5.707 -10.169 -4.707 46 HH TYR 6 HH TYR 6 -8.684 -8.801 -3.358 47 H GLU 7 H GLU 7 -1.209 -12.090 -1.207 48 HA GLU 7 HA GLU 7 0.853 -11.270 0.733 49 HB2 GLU 7 HB2 GLU 7 0.294 -13.925 -0.506 50 HB3 GLU 7 HB3 GLU 7 1.967 -13.490 -0.171 51 HG2 GLU 7 HG2 GLU 7 1.392 -13.102 2.174 52 HG3 GLU 7 HG3 GLU 7 -0.276 -13.565 1.837 53 H PHE 8 H PHE 8 2.790 -10.616 -0.014 54 HA PHE 8 HA PHE 8 3.024 -9.273 -2.386 55 HB2 PHE 8 HB2 PHE 8 4.570 -9.367 -0.268 56 HB3 PHE 8 HB3 PHE 8 5.453 -10.572 -1.198 57 HD1 PHE 8 HD1 PHE 8 6.189 -9.870 -3.577 58 HD2 PHE 8 HD2 PHE 8 5.025 -7.139 -0.529 59 HE1 PHE 8 HE1 PHE 8 7.401 -8.068 -4.736 60 HE2 PHE 8 HE2 PHE 8 6.237 -5.333 -1.675 61 HZ PHE 8 HZ PHE 8 7.432 -5.795 -3.781 62 H GLU 9 H GLU 9 3.005 -9.922 -4.425 63 HA GLU 9 HA GLU 9 4.025 -12.606 -5.067 64 HB2 GLU 9 HB2 GLU 9 1.644 -12.294 -5.572 65 HB3 GLU 9 HB3 GLU 9 2.028 -10.896 -6.567 66 HG2 GLU 9 HG2 GLU 9 1.878 -12.435 -8.208 67 HG3 GLU 9 HG3 GLU 9 3.572 -12.684 -7.783 68 H SER 10 H SER 10 3.823 -9.291 -6.370 69 HA SER 10 HA SER 10 6.514 -9.571 -7.433 70 HB2 SER 10 HB2 SER 10 4.167 -8.889 -9.207 71 HB3 SER 10 HB3 SER 10 5.857 -8.925 -9.700 72 HG SER 10 HG SER 10 5.426 -11.257 -8.629 73 H ASP 11 H ASP 11 7.255 -7.489 -8.452 74 HA ASP 11 HA ASP 11 5.832 -5.099 -7.678 75 HB2 ASP 11 HB2 ASP 11 7.471 -4.179 -6.242 76 HB3 ASP 11 HB3 ASP 11 7.210 -5.814 -5.655 77 H GLU 12 H GLU 12 6.841 -3.180 -8.542 78 HA GLU 12 HA GLU 12 8.889 -3.612 -10.563 79 HB2 GLU 12 HB2 GLU 12 7.058 -3.927 -11.970 80 HB3 GLU 12 HB3 GLU 12 6.077 -2.776 -11.088 81 HG2 GLU 12 HG2 GLU 12 7.143 -0.927 -12.085 82 HG3 GLU 12 HG3 GLU 12 8.463 -1.923 -12.689 83 H ASN 13 H ASN 13 10.129 -1.919 -10.903 84 HA ASN 13 HA ASN 13 11.229 0.026 -10.535 85 HB2 ASN 13 HB2 ASN 13 8.379 0.909 -10.563 86 HB3 ASN 13 HB3 ASN 13 9.628 2.065 -10.120 87 HD21 ASN 13 HD21 ASN 13 7.928 2.154 -12.397 88 HD22 ASN 13 HD22 ASN 13 8.945 2.087 -13.795 89 H TYR 14 H TYR 14 10.851 -1.678 -8.274 90 HA TYR 14 HA TYR 14 10.084 -0.308 -5.959 91 HB2 TYR 14 HB2 TYR 14 10.452 -2.753 -6.034 92 HB3 TYR 14 HB3 TYR 14 12.180 -2.479 -6.203 93 HD1 TYR 14 HD1 TYR 14 13.489 -1.594 -4.321 94 HD2 TYR 14 HD2 TYR 14 9.365 -2.544 -3.901 95 HE1 TYR 14 HE1 TYR 14 13.734 -1.540 -1.879 96 HE2 TYR 14 HE2 TYR 14 9.595 -2.492 -1.451 97 HH TYR 14 HH TYR 14 12.720 -2.153 0.104 98 H ASP 15 H ASP 15 13.405 -0.926 -7.096 99 HA ASP 15 HA ASP 15 14.726 0.694 -5.253 100 HB2 ASP 15 HB2 ASP 15 15.648 0.185 -8.073 101 HB3 ASP 15 HB3 ASP 15 16.655 0.546 -6.683 102 H ASP 16 H ASP 16 13.487 1.503 -8.446 103 HA ASP 16 HA ASP 16 14.538 4.102 -8.613 104 HB2 ASP 16 HB2 ASP 16 12.981 2.475 -10.227 105 HB3 ASP 16 HB3 ASP 16 11.918 3.824 -9.847 106 H PHE 17 H PHE 17 11.409 2.923 -7.489 107 HA PHE 17 HA PHE 17 10.277 5.403 -6.833 108 HB2 PHE 17 HB2 PHE 17 9.050 3.254 -7.085 109 HB3 PHE 17 HB3 PHE 17 9.741 2.715 -5.560 110 HD1 PHE 17 HD1 PHE 17 7.735 5.510 -6.997 111 HD2 PHE 17 HD2 PHE 17 8.569 3.061 -3.616 112 HE1 PHE 17 HE1 PHE 17 5.859 6.534 -5.790 113 HE2 PHE 17 HE2 PHE 17 6.694 4.088 -2.408 114 HZ PHE 17 HZ PHE 17 5.335 5.823 -3.497 115 H VAL 18 H VAL 18 11.860 2.994 -4.746 116 HA VAL 18 HA VAL 18 11.638 4.482 -2.386 117 HB VAL 18 HB VAL 18 13.403 3.046 -1.464 118 HG11 VAL 18 HG11 VAL 18 12.219 0.905 -1.768 119 HG12 VAL 18 HG12 VAL 18 11.324 1.617 -3.111 120 HG13 VAL 18 HG13 VAL 18 11.117 2.254 -1.481 121 HG21 VAL 18 HG21 VAL 18 13.705 2.196 -4.332 122 HG22 VAL 18 HG22 VAL 18 14.196 1.160 -2.991 123 HG23 VAL 18 HG23 VAL 18 14.951 2.737 -3.203 124 H LYS 19 H LYS 19 14.190 4.452 -4.853 125 HA LYS 19 HA LYS 19 15.926 6.185 -3.378 126 HB2 LYS 19 HB2 LYS 19 15.801 5.289 -6.244 127 HB3 LYS 19 HB3 LYS 19 16.949 6.518 -5.737 128 HG2 LYS 19 HG2 LYS 19 16.954 4.118 -4.069 129 HG3 LYS 19 HG3 LYS 19 17.410 3.834 -5.749 130 HD2 LYS 19 HD2 LYS 19 19.417 4.305 -4.577 131 HD3 LYS 19 HD3 LYS 19 19.037 5.748 -5.510 132 HE2 LYS 19 HE2 LYS 19 17.975 6.702 -3.462 133 HE3 LYS 19 HE3 LYS 19 18.579 5.309 -2.568 134 HZ1 LYS 19 HZ1 LYS 19 20.844 5.987 -3.416 135 HZ2 LYS 19 HZ2 LYS 19 20.150 6.987 -2.249 136 HZ3 LYS 19 HZ3 LYS 19 20.141 7.458 -3.873 137 H LYS 20 H LYS 20 13.184 6.670 -5.413 138 HA LYS 20 HA LYS 20 13.764 9.428 -6.001 139 HB2 LYS 20 HB2 LYS 20 12.439 7.880 -7.491 140 HB3 LYS 20 HB3 LYS 20 11.133 7.987 -6.318 141 HG2 LYS 20 HG2 LYS 20 10.667 9.511 -8.080 142 HG3 LYS 20 HG3 LYS 20 11.129 10.457 -6.662 143 HD2 LYS 20 HD2 LYS 20 13.319 10.841 -7.549 144 HD3 LYS 20 HD3 LYS 20 13.041 9.703 -8.867 145 HE2 LYS 20 HE2 LYS 20 11.266 11.171 -9.734 146 HE3 LYS 20 HE3 LYS 20 11.603 12.317 -8.438 147 HZ1 LYS 20 HZ1 LYS 20 13.900 12.476 -9.339 148 HZ2 LYS 20 HZ2 LYS 20 12.709 13.051 -10.391 149 HZ3 LYS 20 HZ3 LYS 20 13.414 11.538 -10.658 150 H ILE 21 H ILE 21 11.496 7.683 -3.877 151 HA ILE 21 HA ILE 21 10.332 10.080 -2.840 152 HB ILE 21 HB ILE 21 9.259 8.642 -1.156 153 HG12 ILE 21 HG12 ILE 21 10.658 6.312 -2.468 154 HG13 ILE 21 HG13 ILE 21 11.242 7.052 -0.983 155 HG21 ILE 21 HG21 ILE 21 8.328 8.936 -3.442 156 HG22 ILE 21 HG22 ILE 21 7.860 7.419 -2.669 157 HG23 ILE 21 HG23 ILE 21 9.113 7.426 -3.909 158 HD11 ILE 21 HD11 ILE 21 9.962 5.095 -0.467 159 HD12 ILE 21 HD12 ILE 21 8.593 5.699 -1.403 160 HD13 ILE 21 HD13 ILE 21 9.083 6.523 0.076 161 H GLY 22 H GLY 22 13.222 8.404 -2.140 162 HA2 GLY 22 HA2 GLY 22 14.930 9.345 -0.803 163 HA3 GLY 22 HA3 GLY 22 13.712 10.293 0.033 164 H LEU 23 H LEU 23 13.338 6.856 -0.478 165 HA LEU 23 HA LEU 23 12.996 6.396 2.319 166 HB2 LEU 23 HB2 LEU 23 11.981 5.116 0.311 167 HB3 LEU 23 HB3 LEU 23 13.515 4.268 0.256 168 HG LEU 23 HG LEU 23 13.132 3.536 2.617 169 HD11 LEU 23 HD11 LEU 23 10.386 4.674 2.134 170 HD12 LEU 23 HD12 LEU 23 11.560 5.252 3.316 171 HD13 LEU 23 HD13 LEU 23 10.850 3.648 3.489 172 HD21 LEU 23 HD21 LEU 23 11.982 1.682 1.956 173 HD22 LEU 23 HD22 LEU 23 12.413 2.341 0.378 174 HD23 LEU 23 HD23 LEU 23 10.799 2.607 1.036 175 HA PRO 24 HA PRO 24 17.309 5.890 3.311 176 HB2 PRO 24 HB2 PRO 24 16.971 4.583 5.702 177 HB3 PRO 24 HB3 PRO 24 16.810 6.340 5.512 178 HG2 PRO 24 HG2 PRO 24 14.698 4.259 5.654 179 HG3 PRO 24 HG3 PRO 24 14.736 5.885 6.356 180 HD2 PRO 24 HD2 PRO 24 13.342 5.300 4.119 181 HD3 PRO 24 HD3 PRO 24 14.082 6.891 4.396 182 H ALA 25 H ALA 25 18.796 4.337 2.948 183 HA ALA 25 HA ALA 25 18.171 1.951 1.686 184 HB1 ALA 25 HB1 ALA 25 20.720 2.169 3.214 185 HB2 ALA 25 HB2 ALA 25 20.421 3.253 1.855 186 HB3 ALA 25 HB3 ALA 25 20.430 1.507 1.607 187 H ASP 26 H ASP 26 18.635 2.607 5.076 188 HA ASP 26 HA ASP 26 18.938 0.031 6.082 189 HB2 ASP 26 HB2 ASP 26 17.283 2.039 7.568 190 HB3 ASP 26 HB3 ASP 26 18.521 0.952 8.180 191 H LYS 27 H LYS 27 16.053 1.869 5.269 192 HA LYS 27 HA LYS 27 14.305 -0.279 6.168 193 HB2 LYS 27 HB2 LYS 27 13.668 2.418 4.961 194 HB3 LYS 27 HB3 LYS 27 12.468 1.258 5.510 195 HG2 LYS 27 HG2 LYS 27 14.476 2.743 7.198 196 HG3 LYS 27 HG3 LYS 27 12.719 2.905 7.209 197 HD2 LYS 27 HD2 LYS 27 12.567 0.533 7.947 198 HD3 LYS 27 HD3 LYS 27 14.328 0.507 8.076 199 HE2 LYS 27 HE2 LYS 27 14.151 2.421 9.675 200 HE3 LYS 27 HE3 LYS 27 12.399 2.229 9.631 201 HZ1 LYS 27 HZ1 LYS 27 12.613 0.043 10.551 202 HZ2 LYS 27 HZ2 LYS 27 13.478 1.114 11.528 203 HZ3 LYS 27 HZ3 LYS 27 14.299 0.100 10.454 204 H ILE 28 H ILE 28 15.538 1.131 3.235 205 HA ILE 28 HA ILE 28 13.757 0.091 1.363 206 HB ILE 28 HB ILE 28 16.728 0.609 1.141 207 HG12 ILE 28 HG12 ILE 28 14.335 2.119 0.085 208 HG13 ILE 28 HG13 ILE 28 15.318 2.593 1.465 209 HG21 ILE 28 HG21 ILE 28 14.814 -0.055 -1.084 210 HG22 ILE 28 HG22 ILE 28 16.096 -1.102 -0.476 211 HG23 ILE 28 HG23 ILE 28 16.502 0.418 -1.275 212 HD11 ILE 28 HD11 ILE 28 16.351 2.323 -1.344 213 HD12 ILE 28 HD12 ILE 28 17.215 2.970 0.053 214 HD13 ILE 28 HD13 ILE 28 15.828 3.837 -0.607 215 H GLU 29 H GLU 29 16.861 -1.313 2.409 216 HA GLU 29 HA GLU 29 16.433 -3.757 1.016 217 HB2 GLU 29 HB2 GLU 29 18.339 -3.351 3.313 218 HB3 GLU 29 HB3 GLU 29 18.477 -4.489 1.982 219 HG2 GLU 29 HG2 GLU 29 18.548 -1.511 1.598 220 HG3 GLU 29 HG3 GLU 29 19.984 -2.480 1.903 221 H MET 30 H MET 30 15.437 -2.557 4.035 222 HA MET 30 HA MET 30 15.062 -5.094 5.314 223 HB2 MET 30 HB2 MET 30 15.449 -3.004 6.574 224 HB3 MET 30 HB3 MET 30 13.925 -2.377 5.981 225 HG2 MET 30 HG2 MET 30 13.519 -3.113 8.163 226 HG3 MET 30 HG3 MET 30 12.801 -4.321 7.104 227 HE1 MET 30 HE1 MET 30 12.865 -6.553 7.610 228 HE2 MET 30 HE2 MET 30 14.255 -7.509 8.124 229 HE3 MET 30 HE3 MET 30 14.249 -6.744 6.537 230 H GLY 31 H GLY 31 13.068 -2.845 3.461 231 HA2 GLY 31 HA2 GLY 31 10.766 -4.651 3.786 232 HA3 GLY 31 HA3 GLY 31 10.684 -2.976 3.273 233 H ARG 32 H ARG 32 13.007 -5.216 1.892 234 HA ARG 32 HA ARG 32 11.452 -5.043 -0.601 235 HB2 ARG 32 HB2 ARG 32 13.440 -5.019 -1.891 236 HB3 ARG 32 HB3 ARG 32 13.670 -3.845 -0.606 237 HG2 ARG 32 HG2 ARG 32 15.055 -5.437 0.613 238 HG3 ARG 32 HG3 ARG 32 14.803 -6.637 -0.656 239 HD2 ARG 32 HD2 ARG 32 16.225 -3.995 -0.893 240 HD3 ARG 32 HD3 ARG 32 16.930 -5.603 -1.025 241 HE ARG 32 HE ARG 32 15.302 -5.768 -3.037 242 HH11 ARG 32 HH11 ARG 32 17.146 -2.928 -2.017 243 HH12 ARG 32 HH12 ARG 32 17.148 -2.220 -3.685 244 HH21 ARG 32 HH21 ARG 32 15.304 -4.873 -5.147 245 HH22 ARG 32 HH22 ARG 32 16.119 -3.278 -5.416 246 H ASN 33 H ASN 33 10.989 -6.829 -1.727 247 HA ASN 33 HA ASN 33 10.577 -9.014 -2.143 248 HB2 ASN 33 HB2 ASN 33 13.406 -8.839 -1.657 249 HB3 ASN 33 HB3 ASN 33 12.797 -10.385 -1.070 250 HD21 ASN 33 HD21 ASN 33 12.468 -8.226 -3.869 251 HD22 ASN 33 HD22 ASN 33 12.471 -9.486 -5.052 252 H CYS 34 H CYS 34 10.022 -7.769 0.537 253 HA CYS 34 HA CYS 34 10.023 -10.106 2.264 254 HB2 CYS 34 HB2 CYS 34 9.363 -7.204 2.714 255 HB3 CYS 34 HB3 CYS 34 8.973 -8.435 3.905 256 HG CYS 34 HG CYS 34 11.511 -6.832 4.206 257 H LYS 35 H LYS 35 8.259 -11.233 2.841 258 HA LYS 35 HA LYS 35 5.999 -11.114 1.109 259 HB2 LYS 35 HB2 LYS 35 5.159 -12.967 2.703 260 HB3 LYS 35 HB3 LYS 35 6.586 -13.285 1.721 261 HG2 LYS 35 HG2 LYS 35 7.188 -12.127 4.341 262 HG3 LYS 35 HG3 LYS 35 6.385 -13.697 4.414 263 HD2 LYS 35 HD2 LYS 35 8.086 -14.614 2.887 264 HD3 LYS 35 HD3 LYS 35 8.899 -13.049 2.884 265 HE2 LYS 35 HE2 LYS 35 8.998 -13.300 5.428 266 HE3 LYS 35 HE3 LYS 35 8.580 -14.988 5.151 267 HZ1 LYS 35 HZ1 LYS 35 10.934 -14.819 5.282 268 HZ2 LYS 35 HZ2 LYS 35 10.981 -13.557 4.161 269 HZ3 LYS 35 HZ3 LYS 35 10.547 -15.113 3.660 270 H ILE 36 H ILE 36 5.226 -8.981 1.591 271 HA ILE 36 HA ILE 36 4.120 -8.366 4.159 272 HB ILE 36 HB ILE 36 3.474 -7.026 1.531 273 HG12 ILE 36 HG12 ILE 36 5.903 -7.081 1.804 274 HG13 ILE 36 HG13 ILE 36 5.288 -5.447 2.021 275 HG21 ILE 36 HG21 ILE 36 3.394 -6.031 4.376 276 HG22 ILE 36 HG22 ILE 36 2.003 -6.435 3.369 277 HG23 ILE 36 HG23 ILE 36 3.033 -5.069 2.941 278 HD11 ILE 36 HD11 ILE 36 6.082 -7.338 4.214 279 HD12 ILE 36 HD12 ILE 36 5.451 -5.704 4.434 280 HD13 ILE 36 HD13 ILE 36 7.008 -5.950 3.641 281 H VAL 37 H VAL 37 2.144 -8.912 4.896 282 HA VAL 37 HA VAL 37 0.269 -10.130 3.005 283 HB VAL 37 HB VAL 37 -0.025 -10.184 5.991 284 HG11 VAL 37 HG11 VAL 37 -1.490 -11.979 5.640 285 HG12 VAL 37 HG12 VAL 37 -0.956 -12.187 3.972 286 HG13 VAL 37 HG13 VAL 37 -1.915 -10.775 4.421 287 HG21 VAL 37 HG21 VAL 37 1.079 -12.359 6.024 288 HG22 VAL 37 HG22 VAL 37 2.185 -11.108 5.452 289 HG23 VAL 37 HG23 VAL 37 1.430 -12.211 4.303 290 H THR 38 H THR 38 -1.366 -8.967 2.331 291 HA THR 38 HA THR 38 -2.193 -6.598 3.857 292 HB THR 38 HB THR 38 -2.864 -7.295 0.996 293 HG1 THR 38 HG1 THR 38 -0.932 -6.594 0.530 294 HG21 THR 38 HG21 THR 38 -3.104 -4.714 2.530 295 HG22 THR 38 HG22 THR 38 -4.438 -5.751 2.033 296 HG23 THR 38 HG23 THR 38 -3.464 -4.922 0.818 297 H GLU 39 H GLU 39 -3.786 -7.162 5.251 298 HA GLU 39 HA GLU 39 -5.829 -9.043 4.331 299 HB2 GLU 39 HB2 GLU 39 -5.420 -7.931 7.109 300 HB3 GLU 39 HB3 GLU 39 -6.486 -9.251 6.651 301 HG2 GLU 39 HG2 GLU 39 -4.155 -10.199 5.715 302 HG3 GLU 39 HG3 GLU 39 -3.577 -9.228 7.067 303 H VAL 40 H VAL 40 -7.608 -8.310 3.496 304 HA VAL 40 HA VAL 40 -8.520 -5.598 4.186 305 HB VAL 40 HB VAL 40 -9.096 -7.219 1.708 306 HG11 VAL 40 HG11 VAL 40 -10.869 -5.617 2.364 307 HG12 VAL 40 HG12 VAL 40 -10.117 -5.254 0.812 308 HG13 VAL 40 HG13 VAL 40 -9.685 -4.312 2.244 309 HG21 VAL 40 HG21 VAL 40 -6.732 -6.459 1.941 310 HG22 VAL 40 HG22 VAL 40 -7.322 -4.797 1.972 311 HG23 VAL 40 HG23 VAL 40 -7.574 -5.797 0.541 312 H VAL 41 H VAL 41 -10.317 -5.417 5.299 313 HA VAL 41 HA VAL 41 -12.248 -7.640 5.299 314 HB VAL 41 HB VAL 41 -11.882 -5.473 7.386 315 HG11 VAL 41 HG11 VAL 41 -13.659 -7.908 7.366 316 HG12 VAL 41 HG12 VAL 41 -14.184 -6.227 7.249 317 HG13 VAL 41 HG13 VAL 41 -13.436 -6.816 8.734 318 HG21 VAL 41 HG21 VAL 41 -11.223 -8.404 7.616 319 HG22 VAL 41 HG22 VAL 41 -10.904 -7.133 8.796 320 HG23 VAL 41 HG23 VAL 41 -10.035 -7.148 7.262 321 H GLN 42 H GLN 42 -14.094 -7.254 4.234 322 HA GLN 42 HA GLN 42 -14.688 -4.580 3.310 323 HB2 GLN 42 HB2 GLN 42 -14.917 -6.679 1.923 324 HB3 GLN 42 HB3 GLN 42 -16.323 -7.075 2.896 325 HG2 GLN 42 HG2 GLN 42 -16.308 -4.397 1.666 326 HG3 GLN 42 HG3 GLN 42 -16.438 -5.765 0.567 327 HE21 GLN 42 HE21 GLN 42 -18.199 -7.208 0.814 328 HE22 GLN 42 HE22 GLN 42 -19.670 -6.688 1.561 329 H ASN 43 H ASN 43 -15.857 -3.200 4.434 330 HA ASN 43 HA ASN 43 -18.193 -4.176 5.900 331 HB2 ASN 43 HB2 ASN 43 -16.142 -3.787 7.423 332 HB3 ASN 43 HB3 ASN 43 -16.411 -2.072 7.115 333 HD21 ASN 43 HD21 ASN 43 -17.470 -4.860 8.807 334 HD22 ASN 43 HD22 ASN 43 -18.744 -4.106 9.700 335 H GLY 44 H GLY 44 -19.163 -3.333 3.924 336 HA2 GLY 44 HA2 GLY 44 -20.559 -1.745 3.002 337 HA3 GLY 44 HA3 GLY 44 -20.140 -0.671 4.332 338 H ASN 45 H ASN 45 -18.538 0.821 4.081 339 HA ASN 45 HA ASN 45 -17.223 0.894 1.443 340 HB2 ASN 45 HB2 ASN 45 -18.866 2.933 2.769 341 HB3 ASN 45 HB3 ASN 45 -17.313 3.532 2.204 342 HD21 ASN 45 HD21 ASN 45 -19.045 0.909 0.693 343 HD22 ASN 45 HD22 ASN 45 -19.425 1.746 -0.773 344 H ASP 46 H ASP 46 -16.741 0.379 4.573 345 HA ASP 46 HA ASP 46 -14.226 1.867 4.772 346 HB2 ASP 46 HB2 ASP 46 -15.788 1.952 6.698 347 HB3 ASP 46 HB3 ASP 46 -15.651 0.206 6.862 348 H PHE 47 H PHE 47 -12.571 0.845 3.871 349 HA PHE 47 HA PHE 47 -12.408 -2.070 4.146 350 HB2 PHE 47 HB2 PHE 47 -11.137 -0.215 2.120 351 HB3 PHE 47 HB3 PHE 47 -10.805 -1.941 2.231 352 HD1 PHE 47 HD1 PHE 47 -12.481 -3.576 1.593 353 HD2 PHE 47 HD2 PHE 47 -13.230 0.597 1.246 354 HE1 PHE 47 HE1 PHE 47 -14.420 -4.049 0.157 355 HE2 PHE 47 HE2 PHE 47 -15.170 0.128 -0.194 356 HZ PHE 47 HZ PHE 47 -15.766 -2.190 -0.736 357 H THR 48 H THR 48 -10.804 -2.909 5.296 358 HA THR 48 HA THR 48 -8.948 -1.065 6.576 359 HB THR 48 HB THR 48 -8.463 -3.505 7.701 360 HG1 THR 48 HG1 THR 48 -11.202 -3.659 7.720 361 HG21 THR 48 HG21 THR 48 -8.847 -1.626 9.064 362 HG22 THR 48 HG22 THR 48 -10.177 -2.722 9.444 363 HG23 THR 48 HG23 THR 48 -10.444 -1.345 8.371 364 H TRP 49 H TRP 49 -6.932 -0.860 5.880 365 HA TRP 49 HA TRP 49 -5.830 -2.976 4.172 366 HB2 TRP 49 HB2 TRP 49 -5.820 -0.207 3.867 367 HB3 TRP 49 HB3 TRP 49 -4.196 -0.575 4.436 368 HD1 TRP 49 HD1 TRP 49 -2.526 -1.176 2.587 369 HE1 TRP 49 HE1 TRP 49 -2.680 -2.021 0.157 370 HE3 TRP 49 HE3 TRP 49 -7.589 -1.795 2.267 371 HZ2 TRP 49 HZ2 TRP 49 -4.686 -2.859 -1.641 372 HZ3 TRP 49 HZ3 TRP 49 -8.549 -2.613 0.155 373 HH2 TRP 49 HH2 TRP 49 -7.128 -3.133 -1.763 374 H THR 50 H THR 50 -4.968 -4.436 5.505 375 HA THR 50 HA THR 50 -3.312 -3.523 7.743 376 HB THR 50 HB THR 50 -4.091 -6.370 7.155 377 HG1 THR 50 HG1 THR 50 -6.060 -5.445 7.311 378 HG21 THR 50 HG21 THR 50 -3.823 -6.647 9.560 379 HG22 THR 50 HG22 THR 50 -3.466 -4.927 9.731 380 HG23 THR 50 HG23 THR 50 -2.354 -5.975 8.850 381 H GLN 51 H GLN 51 -1.150 -3.619 7.595 382 HA GLN 51 HA GLN 51 0.007 -5.301 5.466 383 HB2 GLN 51 HB2 GLN 51 1.096 -2.767 6.712 384 HB3 GLN 51 HB3 GLN 51 1.959 -3.753 5.541 385 HG2 GLN 51 HG2 GLN 51 -0.681 -2.421 5.000 386 HG3 GLN 51 HG3 GLN 51 0.889 -1.720 4.605 387 HE21 GLN 51 HE21 GLN 51 -1.431 -4.170 3.839 388 HE22 GLN 51 HE22 GLN 51 -0.734 -4.674 2.338 389 H HIS 52 H HIS 52 0.927 -7.050 6.241 390 HA HIS 52 HA HIS 52 1.975 -7.000 8.974 391 HB2 HIS 52 HB2 HIS 52 1.104 -9.253 7.174 392 HB3 HIS 52 HB3 HIS 52 2.021 -9.538 8.644 393 HD2 HIS 52 HD2 HIS 52 -1.547 -9.127 7.498 394 HE1 HIS 52 HE1 HIS 52 -1.536 -8.774 11.710 395 HE2 HIS 52 HE2 HIS 52 -2.951 -9.306 9.671 396 H PHE 53 H PHE 53 4.032 -6.874 9.290 397 HA PHE 53 HA PHE 53 5.833 -7.469 7.068 398 HB2 PHE 53 HB2 PHE 53 5.850 -5.248 8.452 399 HB3 PHE 53 HB3 PHE 53 6.705 -6.215 9.650 400 HD1 PHE 53 HD1 PHE 53 6.794 -5.914 5.957 401 HD2 PHE 53 HD2 PHE 53 8.960 -5.878 9.609 402 HE1 PHE 53 HE1 PHE 53 8.895 -5.574 4.710 403 HE2 PHE 53 HE2 PHE 53 11.064 -5.553 8.381 404 HZ PHE 53 HZ PHE 53 11.033 -5.395 5.922 405 HA PRO 54 HA PRO 54 6.728 -11.352 9.028 406 HB2 PRO 54 HB2 PRO 54 9.097 -11.824 7.672 407 HB3 PRO 54 HB3 PRO 54 7.487 -12.162 7.007 408 HG2 PRO 54 HG2 PRO 54 9.271 -9.829 6.534 409 HG3 PRO 54 HG3 PRO 54 8.249 -10.720 5.388 410 HD2 PRO 54 HD2 PRO 54 7.503 -8.341 6.376 411 HD3 PRO 54 HD3 PRO 54 6.321 -9.627 6.049 412 H GLY 55 H GLY 55 7.344 -11.178 11.103 413 HA2 GLY 55 HA2 GLY 55 8.724 -11.018 12.925 414 HA3 GLY 55 HA3 GLY 55 10.085 -11.048 11.816 415 H GLY 56 H GLY 56 7.571 -8.573 11.668 416 HA2 GLY 56 HA2 GLY 56 9.336 -6.694 13.065 417 HA3 GLY 56 HA3 GLY 56 9.008 -6.365 11.377 418 H ARG 57 H ARG 57 8.226 -4.334 12.323 419 HA ARG 57 HA ARG 57 5.905 -4.243 13.947 420 HB2 ARG 57 HB2 ARG 57 5.873 -1.876 13.509 421 HB3 ARG 57 HB3 ARG 57 7.532 -2.373 13.773 422 HG2 ARG 57 HG2 ARG 57 7.993 -1.207 11.935 423 HG3 ARG 57 HG3 ARG 57 7.276 -2.551 11.043 424 HD2 ARG 57 HD2 ARG 57 6.273 -0.486 10.291 425 HD3 ARG 57 HD3 ARG 57 5.077 -1.418 11.192 426 HE ARG 57 HE ARG 57 6.240 0.282 13.024 427 HH11 ARG 57 HH11 ARG 57 4.390 0.570 10.046 428 HH12 ARG 57 HH12 ARG 57 3.719 2.184 10.482 429 HH21 ARG 57 HH21 ARG 57 5.359 2.307 13.644 430 HH22 ARG 57 HH22 ARG 57 4.222 3.147 12.512 431 H THR 58 H THR 58 3.780 -3.719 13.415 432 HA THR 58 HA THR 58 3.065 -4.419 10.653 433 HB THR 58 HB THR 58 2.145 -5.933 12.361 434 HG1 THR 58 HG1 THR 58 0.325 -6.043 11.267 435 HG21 THR 58 HG21 THR 58 0.726 -3.488 13.415 436 HG22 THR 58 HG22 THR 58 2.016 -4.370 14.234 437 HG23 THR 58 HG23 THR 58 0.457 -5.146 13.948 438 H THR 59 H THR 59 1.259 -3.279 9.691 439 HA THR 59 HA THR 59 0.760 -0.601 10.790 440 HB THR 59 HB THR 59 1.152 -0.837 7.837 441 HG1 THR 59 HG1 THR 59 3.006 -1.841 9.034 442 HG21 THR 59 HG21 THR 59 2.152 1.453 8.270 443 HG22 THR 59 HG22 THR 59 1.606 1.270 9.937 444 HG23 THR 59 HG23 THR 59 0.430 1.280 8.621 445 H THR 60 H THR 60 -1.400 -0.503 11.033 446 HA THR 60 HA THR 60 -3.076 -1.725 8.945 447 HB THR 60 HB THR 60 -3.907 -1.594 11.839 448 HG1 THR 60 HG1 THR 60 -2.138 -2.948 11.842 449 HG21 THR 60 HG21 THR 60 -4.841 -3.257 9.499 450 HG22 THR 60 HG22 THR 60 -5.684 -1.866 10.181 451 HG23 THR 60 HG23 THR 60 -5.481 -3.335 11.139 452 H ASN 61 H ASN 61 -4.166 -0.197 7.888 453 HA ASN 61 HA ASN 61 -5.177 2.099 9.439 454 HB2 ASN 61 HB2 ASN 61 -4.234 2.095 6.561 455 HB3 ASN 61 HB3 ASN 61 -5.027 3.448 7.349 456 HD21 ASN 61 HD21 ASN 61 -3.481 2.716 9.878 457 HD22 ASN 61 HD22 ASN 61 -1.914 3.384 9.594 458 H SER 62 H SER 62 -7.233 2.591 9.254 459 HA SER 62 HA SER 62 -8.863 0.914 7.479 460 HB2 SER 62 HB2 SER 62 -10.664 1.444 9.201 461 HB3 SER 62 HB3 SER 62 -9.333 0.424 9.755 462 HG SER 62 HG SER 62 -9.675 3.206 10.223 463 H PHE 63 H PHE 63 -10.033 1.951 5.920 464 HA PHE 63 HA PHE 63 -10.492 4.821 6.274 465 HB2 PHE 63 HB2 PHE 63 -9.780 5.266 3.966 466 HB3 PHE 63 HB3 PHE 63 -8.462 4.624 4.939 467 HD1 PHE 63 HD1 PHE 63 -10.764 3.975 2.181 468 HD2 PHE 63 HD2 PHE 63 -7.547 2.432 4.494 469 HE1 PHE 63 HE1 PHE 63 -10.389 2.240 0.488 470 HE2 PHE 63 HE2 PHE 63 -7.159 0.696 2.792 471 HZ PHE 63 HZ PHE 63 -8.581 0.597 0.788 472 H THR 64 H THR 64 -12.365 5.592 5.495 473 HA THR 64 HA THR 64 -14.148 3.655 4.203 474 HB THR 64 HB THR 64 -14.704 6.094 5.899 475 HG1 THR 64 HG1 THR 64 -14.344 3.699 6.631 476 HG21 THR 64 HG21 THR 64 -16.602 4.515 4.177 477 HG22 THR 64 HG22 THR 64 -16.325 6.260 4.183 478 HG23 THR 64 HG23 THR 64 -17.138 5.492 5.546 479 H ILE 65 H ILE 65 -14.803 4.047 2.150 480 HA ILE 65 HA ILE 65 -13.631 5.943 0.514 481 HB ILE 65 HB ILE 65 -16.349 4.672 0.158 482 HG12 ILE 65 HG12 ILE 65 -14.619 2.994 0.446 483 HG13 ILE 65 HG13 ILE 65 -15.119 3.035 -1.237 484 HG21 ILE 65 HG21 ILE 65 -14.527 5.914 -1.891 485 HG22 ILE 65 HG22 ILE 65 -16.040 6.601 -1.303 486 HG23 ILE 65 HG23 ILE 65 -16.054 5.095 -2.219 487 HD11 ILE 65 HD11 ILE 65 -13.118 4.496 -1.682 488 HD12 ILE 65 HD12 ILE 65 -12.767 2.827 -1.230 489 HD13 ILE 65 HD13 ILE 65 -12.589 4.118 -0.042 490 H ASP 66 H ASP 66 -13.876 8.024 0.170 491 HA ASP 66 HA ASP 66 -14.659 10.144 0.101 492 HB2 ASP 66 HB2 ASP 66 -16.787 8.964 -0.774 493 HB3 ASP 66 HB3 ASP 66 -17.423 9.199 0.851 494 H LYS 67 H LYS 67 -13.708 8.775 2.488 495 HA LYS 67 HA LYS 67 -14.693 10.707 4.468 496 HB2 LYS 67 HB2 LYS 67 -15.806 8.591 4.935 497 HB3 LYS 67 HB3 LYS 67 -14.269 7.744 4.893 498 HG2 LYS 67 HG2 LYS 67 -14.772 7.954 7.165 499 HG3 LYS 67 HG3 LYS 67 -13.597 9.231 6.861 500 HD2 LYS 67 HD2 LYS 67 -15.533 9.945 8.247 501 HD3 LYS 67 HD3 LYS 67 -15.323 10.887 6.768 502 HE2 LYS 67 HE2 LYS 67 -17.113 9.813 5.700 503 HE3 LYS 67 HE3 LYS 67 -17.153 8.513 6.894 504 HZ1 LYS 67 HZ1 LYS 67 -18.919 10.333 7.051 505 HZ2 LYS 67 HZ2 LYS 67 -17.689 11.312 7.672 506 HZ3 LYS 67 HZ3 LYS 67 -18.123 9.890 8.474 507 H GLU 68 H GLU 68 -13.161 11.388 5.979 508 HA GLU 68 HA GLU 68 -10.418 11.192 5.153 509 HB2 GLU 68 HB2 GLU 68 -11.255 13.278 6.106 510 HB3 GLU 68 HB3 GLU 68 -11.708 12.449 7.591 511 HG2 GLU 68 HG2 GLU 68 -9.360 12.003 8.066 512 HG3 GLU 68 HG3 GLU 68 -8.897 12.797 6.566 513 H ALA 69 H ALA 69 -8.991 9.701 5.791 514 HA ALA 69 HA ALA 69 -9.727 8.026 8.102 515 HB1 ALA 69 HB1 ALA 69 -8.625 6.170 7.012 516 HB2 ALA 69 HB2 ALA 69 -8.175 7.205 5.656 517 HB3 ALA 69 HB3 ALA 69 -9.875 6.842 5.964 518 H ASP 70 H ASP 70 -8.134 7.255 9.429 519 HA ASP 70 HA ASP 70 -5.812 8.946 9.742 520 HB2 ASP 70 HB2 ASP 70 -7.361 7.921 11.609 521 HB3 ASP 70 HB3 ASP 70 -6.351 6.498 11.397 522 H MET 71 H MET 71 -3.905 8.441 8.844 523 HA MET 71 HA MET 71 -3.469 5.619 8.129 524 HB2 MET 71 HB2 MET 71 -2.703 8.030 6.500 525 HB3 MET 71 HB3 MET 71 -2.357 6.352 6.091 526 HG2 MET 71 HG2 MET 71 -4.610 5.866 5.724 527 HG3 MET 71 HG3 MET 71 -5.150 7.338 6.529 528 HE1 MET 71 HE1 MET 71 -6.349 7.911 2.947 529 HE2 MET 71 HE2 MET 71 -6.671 8.432 4.604 530 HE3 MET 71 HE3 MET 71 -6.543 6.714 4.232 531 H GLU 72 H GLU 72 -1.240 5.049 7.723 532 HA GLU 72 HA GLU 72 0.873 6.697 8.743 533 HB2 GLU 72 HB2 GLU 72 0.405 5.992 10.898 534 HB3 GLU 72 HB3 GLU 72 -0.284 4.464 10.363 535 HG2 GLU 72 HG2 GLU 72 1.894 3.558 9.973 536 HG3 GLU 72 HG3 GLU 72 2.654 5.115 10.294 537 H THR 73 H THR 73 2.828 6.041 7.894 538 HA THR 73 HA THR 73 2.681 3.899 5.935 539 HB THR 73 HB THR 73 4.797 4.655 5.102 540 HG1 THR 73 HG1 THR 73 6.171 5.889 6.234 541 HG21 THR 73 HG21 THR 73 4.179 6.692 4.262 542 HG22 THR 73 HG22 THR 73 3.619 7.282 5.821 543 HG23 THR 73 HG23 THR 73 2.630 6.152 4.900 544 H MET 74 H MET 74 4.796 2.543 5.774 545 HA MET 74 HA MET 74 5.020 1.131 8.265 546 HB2 MET 74 HB2 MET 74 5.190 0.370 5.635 547 HB3 MET 74 HB3 MET 74 6.879 0.392 6.113 548 HG2 MET 74 HG2 MET 74 6.161 -1.012 8.110 549 HG3 MET 74 HG3 MET 74 4.646 -1.246 7.242 550 HE1 MET 74 HE1 MET 74 4.313 -2.776 5.208 551 HE2 MET 74 HE2 MET 74 5.616 -3.292 4.141 552 HE3 MET 74 HE3 MET 74 5.223 -1.578 4.291 553 H GLY 75 H GLY 75 6.491 3.802 6.929 554 HA2 GLY 75 HA2 GLY 75 9.132 3.356 8.066 555 HA3 GLY 75 HA3 GLY 75 8.587 4.781 7.190 556 H GLY 76 H GLY 76 6.118 4.687 9.015 557 HA2 GLY 76 HA2 GLY 76 5.802 5.081 11.394 558 HA3 GLY 76 HA3 GLY 76 7.409 5.787 11.430 559 H ARG 77 H ARG 77 5.319 6.614 8.768 560 HA ARG 77 HA ARG 77 5.193 9.335 9.833 561 HB2 ARG 77 HB2 ARG 77 4.140 8.554 7.140 562 HB3 ARG 77 HB3 ARG 77 4.779 10.101 7.667 563 HG2 ARG 77 HG2 ARG 77 6.998 9.251 7.599 564 HG3 ARG 77 HG3 ARG 77 6.423 7.617 7.305 565 HD2 ARG 77 HD2 ARG 77 6.862 8.214 5.160 566 HD3 ARG 77 HD3 ARG 77 5.220 8.821 5.276 567 HE ARG 77 HE ARG 77 6.131 11.038 5.590 568 HH11 ARG 77 HH11 ARG 77 8.360 8.549 4.473 569 HH12 ARG 77 HH12 ARG 77 9.520 9.749 3.787 570 HH21 ARG 77 HH21 ARG 77 7.550 12.578 4.717 571 HH22 ARG 77 HH22 ARG 77 9.063 12.016 3.910 572 H LYS 78 H LYS 78 3.438 10.022 10.860 573 HA LYS 78 HA LYS 78 0.922 8.580 10.464 574 HB2 LYS 78 HB2 LYS 78 1.899 10.417 12.653 575 HB3 LYS 78 HB3 LYS 78 0.218 9.923 12.516 576 HG2 LYS 78 HG2 LYS 78 0.984 8.366 13.998 577 HG3 LYS 78 HG3 LYS 78 1.244 7.520 12.475 578 HD2 LYS 78 HD2 LYS 78 3.517 7.740 12.574 579 HD3 LYS 78 HD3 LYS 78 3.440 9.217 13.531 580 HE2 LYS 78 HE2 LYS 78 4.322 7.330 14.834 581 HE3 LYS 78 HE3 LYS 78 2.810 7.947 15.499 582 HZ1 LYS 78 HZ1 LYS 78 2.822 5.540 15.476 583 HZ2 LYS 78 HZ2 LYS 78 3.109 5.515 13.805 584 HZ3 LYS 78 HZ3 LYS 78 1.645 6.119 14.409 585 H PHE 79 H PHE 79 -0.754 9.503 9.436 586 HA PHE 79 HA PHE 79 -1.039 12.361 9.242 587 HB2 PHE 79 HB2 PHE 79 -0.932 12.390 6.743 588 HB3 PHE 79 HB3 PHE 79 0.624 12.066 7.505 589 HD1 PHE 79 HD1 PHE 79 1.571 9.821 7.485 590 HD2 PHE 79 HD2 PHE 79 -2.003 10.737 5.364 591 HE1 PHE 79 HE1 PHE 79 1.814 7.751 6.204 592 HE2 PHE 79 HE2 PHE 79 -1.765 8.657 4.065 593 HZ PHE 79 HZ PHE 79 0.143 7.151 4.489 594 H LYS 80 H LYS 80 -2.879 12.808 7.565 595 HA LYS 80 HA LYS 80 -4.863 10.638 7.633 596 HB2 LYS 80 HB2 LYS 80 -5.778 13.465 7.969 597 HB3 LYS 80 HB3 LYS 80 -6.545 11.978 8.495 598 HG2 LYS 80 HG2 LYS 80 -4.073 13.124 9.769 599 HG3 LYS 80 HG3 LYS 80 -5.710 13.448 10.320 600 HD2 LYS 80 HD2 LYS 80 -6.032 11.016 10.669 601 HD3 LYS 80 HD3 LYS 80 -4.344 10.765 10.225 602 HE2 LYS 80 HE2 LYS 80 -4.204 12.740 12.138 603 HE3 LYS 80 HE3 LYS 80 -5.495 11.702 12.734 604 HZ1 LYS 80 HZ1 LYS 80 -3.930 9.799 12.390 605 HZ2 LYS 80 HZ2 LYS 80 -3.483 10.882 13.615 606 HZ3 LYS 80 HZ3 LYS 80 -2.707 10.939 12.116 607 H ALA 81 H ALA 81 -6.142 10.520 5.809 608 HA ALA 81 HA ALA 81 -6.001 12.616 3.812 609 HB1 ALA 81 HB1 ALA 81 -4.889 9.862 3.308 610 HB2 ALA 81 HB2 ALA 81 -4.008 11.389 3.272 611 HB3 ALA 81 HB3 ALA 81 -5.227 11.045 2.039 612 H THR 82 H THR 82 -7.438 12.147 1.956 613 HA THR 82 HA THR 82 -9.771 10.627 2.875 614 HB THR 82 HB THR 82 -9.964 12.400 0.494 615 HG1 THR 82 HG1 THR 82 -9.354 13.279 3.102 616 HG21 THR 82 HG21 THR 82 -11.734 11.930 2.902 617 HG22 THR 82 HG22 THR 82 -11.912 11.165 1.325 618 HG23 THR 82 HG23 THR 82 -12.153 12.905 1.494 619 H VAL 83 H VAL 83 -10.623 8.979 1.683 620 HA VAL 83 HA VAL 83 -9.133 8.203 -0.740 621 HB VAL 83 HB VAL 83 -10.525 6.340 1.193 622 HG11 VAL 83 HG11 VAL 83 -9.399 4.577 -0.001 623 HG12 VAL 83 HG12 VAL 83 -8.591 5.753 -1.040 624 HG13 VAL 83 HG13 VAL 83 -10.342 5.548 -1.131 625 HG21 VAL 83 HG21 VAL 83 -7.585 6.956 0.925 626 HG22 VAL 83 HG22 VAL 83 -8.279 5.690 1.935 627 HG23 VAL 83 HG23 VAL 83 -8.619 7.384 2.285 628 H LYS 84 H LYS 84 -10.343 7.420 -2.505 629 HA LYS 84 HA LYS 84 -13.264 7.492 -2.220 630 HB2 LYS 84 HB2 LYS 84 -13.407 8.670 -4.420 631 HB3 LYS 84 HB3 LYS 84 -12.722 9.649 -3.132 632 HG2 LYS 84 HG2 LYS 84 -10.496 8.531 -4.188 633 HG3 LYS 84 HG3 LYS 84 -11.516 8.681 -5.618 634 HD2 LYS 84 HD2 LYS 84 -11.648 11.001 -5.423 635 HD3 LYS 84 HD3 LYS 84 -11.141 10.981 -3.731 636 HE2 LYS 84 HE2 LYS 84 -8.903 10.456 -4.313 637 HE3 LYS 84 HE3 LYS 84 -9.351 10.098 -5.983 638 HZ1 LYS 84 HZ1 LYS 84 -8.267 12.263 -5.732 639 HZ2 LYS 84 HZ2 LYS 84 -9.521 12.782 -4.724 640 HZ3 LYS 84 HZ3 LYS 84 -9.833 12.412 -6.344 641 H MET 85 H MET 85 -14.171 6.723 -4.571 642 HA MET 85 HA MET 85 -12.518 4.473 -5.480 643 HB2 MET 85 HB2 MET 85 -14.769 4.221 -3.792 644 HB3 MET 85 HB3 MET 85 -15.272 3.669 -5.380 645 HG2 MET 85 HG2 MET 85 -13.403 2.103 -5.433 646 HG3 MET 85 HG3 MET 85 -12.898 2.662 -3.835 647 HE1 MET 85 HE1 MET 85 -14.212 -0.701 -2.652 648 HE2 MET 85 HE2 MET 85 -13.219 0.661 -2.143 649 HE3 MET 85 HE3 MET 85 -12.944 -0.090 -3.721 650 H GLU 86 H GLU 86 -12.328 4.645 -7.630 651 HA GLU 86 HA GLU 86 -14.636 5.696 -9.139 652 HB2 GLU 86 HB2 GLU 86 -11.793 6.006 -10.062 653 HB3 GLU 86 HB3 GLU 86 -13.218 6.884 -10.597 654 HG2 GLU 86 HG2 GLU 86 -13.269 7.756 -8.145 655 HG3 GLU 86 HG3 GLU 86 -11.580 7.248 -8.128 656 H GLY 87 H GLY 87 -15.527 4.093 -10.255 657 HA2 GLY 87 HA2 GLY 87 -15.751 2.340 -11.720 658 HA3 GLY 87 HA3 GLY 87 -14.095 2.647 -12.221 659 H GLY 88 H GLY 88 -15.122 1.809 -8.957 660 HA2 GLY 88 HA2 GLY 88 -14.809 -0.119 -7.717 661 HA3 GLY 88 HA3 GLY 88 -14.461 -0.967 -9.215 662 H LYS 89 H LYS 89 -12.707 1.894 -8.332 663 HA LYS 89 HA LYS 89 -10.372 0.258 -7.573 664 HB2 LYS 89 HB2 LYS 89 -10.173 2.802 -9.165 665 HB3 LYS 89 HB3 LYS 89 -8.910 1.617 -8.864 666 HG2 LYS 89 HG2 LYS 89 -9.986 0.047 -10.329 667 HG3 LYS 89 HG3 LYS 89 -11.366 1.128 -10.531 668 HD2 LYS 89 HD2 LYS 89 -9.803 2.821 -11.489 669 HD3 LYS 89 HD3 LYS 89 -8.536 1.599 -11.438 670 HE2 LYS 89 HE2 LYS 89 -11.131 1.364 -12.952 671 HE3 LYS 89 HE3 LYS 89 -9.573 1.786 -13.654 672 HZ1 LYS 89 HZ1 LYS 89 -8.759 -0.395 -12.734 673 HZ2 LYS 89 HZ2 LYS 89 -9.841 -0.486 -14.035 674 HZ3 LYS 89 HZ3 LYS 89 -10.385 -0.791 -12.464 675 H ILE 90 H ILE 90 -9.489 0.858 -5.687 676 HA ILE 90 HA ILE 90 -10.545 3.193 -4.340 677 HB ILE 90 HB ILE 90 -8.302 1.490 -3.278 678 HG12 ILE 90 HG12 ILE 90 -11.212 0.824 -3.537 679 HG13 ILE 90 HG13 ILE 90 -9.810 -0.232 -3.687 680 HG21 ILE 90 HG21 ILE 90 -9.090 2.207 -1.149 681 HG22 ILE 90 HG22 ILE 90 -10.540 2.913 -1.866 682 HG23 ILE 90 HG23 ILE 90 -8.962 3.630 -2.183 683 HD11 ILE 90 HD11 ILE 90 -9.510 -0.079 -1.223 684 HD12 ILE 90 HD12 ILE 90 -11.031 -0.823 -1.711 685 HD13 ILE 90 HD13 ILE 90 -11.011 0.848 -1.138 686 H VAL 91 H VAL 91 -9.749 5.110 -4.884 687 HA VAL 91 HA VAL 91 -6.853 5.334 -5.342 688 HB VAL 91 HB VAL 91 -7.994 5.895 -7.362 689 HG11 VAL 91 HG11 VAL 91 -9.699 7.751 -5.747 690 HG12 VAL 91 HG12 VAL 91 -10.209 6.239 -6.500 691 HG13 VAL 91 HG13 VAL 91 -9.718 7.606 -7.502 692 HG21 VAL 91 HG21 VAL 91 -6.150 7.350 -6.977 693 HG22 VAL 91 HG22 VAL 91 -7.095 8.359 -5.881 694 HG23 VAL 91 HG23 VAL 91 -7.469 8.339 -7.605 695 H ALA 92 H ALA 92 -5.701 6.581 -4.034 696 HA ALA 92 HA ALA 92 -7.149 8.215 -2.057 697 HB1 ALA 92 HB1 ALA 92 -5.792 6.377 -1.142 698 HB2 ALA 92 HB2 ALA 92 -5.215 7.959 -0.614 699 HB3 ALA 92 HB3 ALA 92 -4.358 7.086 -1.884 700 H ASP 93 H ASP 93 -6.573 10.338 -1.715 701 HA ASP 93 HA ASP 93 -5.050 11.547 -3.896 702 HB2 ASP 93 HB2 ASP 93 -7.233 12.460 -3.638 703 HB3 ASP 93 HB3 ASP 93 -7.011 12.680 -1.910 704 H PHE 94 H PHE 94 -3.078 12.205 -3.633 705 HA PHE 94 HA PHE 94 -2.166 13.224 -1.056 706 HB2 PHE 94 HB2 PHE 94 -0.949 10.905 -2.547 707 HB3 PHE 94 HB3 PHE 94 -0.029 11.854 -1.385 708 HD1 PHE 94 HD1 PHE 94 -0.832 11.953 0.979 709 HD2 PHE 94 HD2 PHE 94 -2.374 9.195 -1.866 710 HE1 PHE 94 HE1 PHE 94 -1.709 10.575 2.806 711 HE2 PHE 94 HE2 PHE 94 -3.271 7.818 -0.029 712 HZ PHE 94 HZ PHE 94 -2.930 8.506 2.303 713 HA PRO 95 HA PRO 95 0.140 15.969 -3.695 714 HB2 PRO 95 HB2 PRO 95 2.056 16.825 -1.983 715 HB3 PRO 95 HB3 PRO 95 0.355 17.284 -1.800 716 HG2 PRO 95 HG2 PRO 95 1.942 15.297 -0.292 717 HG3 PRO 95 HG3 PRO 95 0.640 16.366 0.263 718 HD2 PRO 95 HD2 PRO 95 0.356 13.674 -0.339 719 HD3 PRO 95 HD3 PRO 95 -0.965 14.852 -0.239 720 H ASN 96 H ASN 96 1.410 15.302 -5.313 721 HA ASN 96 HA ASN 96 3.115 14.379 -6.505 722 HB2 ASN 96 HB2 ASN 96 4.483 15.796 -4.926 723 HB3 ASN 96 HB3 ASN 96 4.685 14.369 -3.917 724 HD21 ASN 96 HD21 ASN 96 6.835 14.073 -4.148 725 HD22 ASN 96 HD22 ASN 96 7.607 13.699 -5.650 726 H TYR 97 H TYR 97 1.186 12.767 -4.860 727 HA TYR 97 HA TYR 97 2.484 10.183 -5.284 728 HB2 TYR 97 HB2 TYR 97 2.626 11.096 -2.806 729 HB3 TYR 97 HB3 TYR 97 0.957 10.552 -2.735 730 HD1 TYR 97 HD1 TYR 97 0.477 8.099 -3.283 731 HD2 TYR 97 HD2 TYR 97 4.390 9.597 -2.539 732 HE1 TYR 97 HE1 TYR 97 1.256 5.815 -2.800 733 HE2 TYR 97 HE2 TYR 97 5.174 7.319 -2.051 734 HH TYR 97 HH TYR 97 4.486 5.200 -1.575 735 H HIS 98 H HIS 98 1.153 8.828 -6.238 736 HA HIS 98 HA HIS 98 -1.752 9.274 -6.072 737 HB2 HIS 98 HB2 HIS 98 -0.646 10.000 -8.263 738 HB3 HIS 98 HB3 HIS 98 -0.313 8.298 -8.543 739 HD1 HIS 98 HD1 HIS 98 -3.133 10.773 -8.414 740 HD2 HIS 98 HD2 HIS 98 -2.492 6.772 -9.347 741 HE1 HIS 98 HE1 HIS 98 -5.237 10.000 -9.555 742 HE2 HIS 98 HE2 HIS 98 -4.732 7.648 -10.301 743 H HIS 99 H HIS 99 -2.380 7.601 -4.806 744 HA HIS 99 HA HIS 99 -1.245 4.947 -5.385 745 HB2 HIS 99 HB2 HIS 99 -1.009 5.992 -3.050 746 HB3 HIS 99 HB3 HIS 99 -2.733 5.695 -2.871 747 HD2 HIS 99 HD2 HIS 99 -3.426 2.875 -3.026 748 HE1 HIS 99 HE1 HIS 99 0.462 1.712 -1.838 749 HE2 HIS 99 HE2 HIS 99 -1.939 0.939 -2.115 750 H THR 100 H THR 100 -2.514 3.648 -6.502 751 HA THR 100 HA THR 100 -5.424 3.725 -6.035 752 HB THR 100 HB THR 100 -5.678 3.009 -8.453 753 HG1 THR 100 HG1 THR 100 -3.248 2.603 -8.549 754 HG21 THR 100 HG21 THR 100 -5.415 5.293 -9.351 755 HG22 THR 100 HG22 THR 100 -4.505 5.732 -7.906 756 HG23 THR 100 HG23 THR 100 -6.200 5.272 -7.772 757 H ALA 101 H ALA 101 -6.350 1.808 -5.625 758 HA ALA 101 HA ALA 101 -4.740 -0.627 -6.054 759 HB1 ALA 101 HB1 ALA 101 -6.704 -0.152 -3.810 760 HB2 ALA 101 HB2 ALA 101 -4.957 0.004 -3.657 761 HB3 ALA 101 HB3 ALA 101 -5.673 -1.563 -4.033 762 H GLU 102 H GLU 102 -5.708 -2.276 -7.106 763 HA GLU 102 HA GLU 102 -8.582 -2.455 -7.301 764 HB2 GLU 102 HB2 GLU 102 -8.637 -2.400 -9.756 765 HB3 GLU 102 HB3 GLU 102 -8.150 -0.851 -9.079 766 HG2 GLU 102 HG2 GLU 102 -5.739 -1.802 -9.450 767 HG3 GLU 102 HG3 GLU 102 -6.561 -2.834 -10.621 768 H ILE 103 H ILE 103 -9.178 -4.318 -8.809 769 HA ILE 103 HA ILE 103 -7.319 -6.522 -8.258 770 HB ILE 103 HB ILE 103 -10.216 -6.785 -9.060 771 HG12 ILE 103 HG12 ILE 103 -10.015 -5.428 -6.979 772 HG13 ILE 103 HG13 ILE 103 -10.808 -6.979 -6.717 773 HG21 ILE 103 HG21 ILE 103 -8.269 -8.651 -7.714 774 HG22 ILE 103 HG22 ILE 103 -8.916 -8.789 -9.348 775 HG23 ILE 103 HG23 ILE 103 -9.983 -8.990 -7.959 776 HD11 ILE 103 HD11 ILE 103 -8.932 -7.863 -5.624 777 HD12 ILE 103 HD12 ILE 103 -9.123 -6.228 -4.986 778 HD13 ILE 103 HD13 ILE 103 -7.884 -6.565 -6.198 779 H SER 104 H SER 104 -6.162 -7.262 -9.905 780 HA SER 104 HA SER 104 -7.331 -7.086 -12.604 781 HB2 SER 104 HB2 SER 104 -5.421 -5.460 -12.128 782 HB3 SER 104 HB3 SER 104 -4.375 -6.876 -12.031 783 HG SER 104 HG SER 104 -4.261 -6.718 -14.123 784 H GLY 105 H GLY 105 -7.848 -9.080 -13.188 785 HA2 GLY 105 HA2 GLY 105 -7.616 -11.311 -13.701 786 HA3 GLY 105 HA3 GLY 105 -5.891 -11.126 -13.429 787 H GLY 106 H GLY 106 -8.307 -10.403 -11.007 788 HA2 GLY 106 HA2 GLY 106 -8.933 -11.532 -9.089 789 HA3 GLY 106 HA3 GLY 106 -8.062 -12.943 -9.677 790 H LYS 107 H LYS 107 -6.220 -10.105 -9.725 791 HA LYS 107 HA LYS 107 -4.943 -10.780 -7.159 792 HB2 LYS 107 HB2 LYS 107 -3.801 -10.505 -9.867 793 HB3 LYS 107 HB3 LYS 107 -2.905 -9.684 -8.595 794 HG2 LYS 107 HG2 LYS 107 -2.414 -11.649 -7.481 795 HG3 LYS 107 HG3 LYS 107 -3.732 -12.538 -8.244 796 HD2 LYS 107 HD2 LYS 107 -2.505 -12.333 -10.415 797 HD3 LYS 107 HD3 LYS 107 -1.151 -11.646 -9.517 798 HE2 LYS 107 HE2 LYS 107 -1.405 -13.804 -8.063 799 HE3 LYS 107 HE3 LYS 107 -2.242 -14.424 -9.482 800 HZ1 LYS 107 HZ1 LYS 107 0.182 -13.172 -10.233 801 HZ2 LYS 107 HZ2 LYS 107 -0.314 -14.765 -10.485 802 HZ3 LYS 107 HZ3 LYS 107 0.486 -14.349 -9.048 803 H LEU 108 H LEU 108 -3.929 -9.042 -6.064 804 HA LEU 108 HA LEU 108 -5.253 -6.475 -6.549 805 HB2 LEU 108 HB2 LEU 108 -5.151 -7.695 -4.279 806 HB3 LEU 108 HB3 LEU 108 -3.474 -7.206 -4.225 807 HG LEU 108 HG LEU 108 -5.000 -5.777 -2.897 808 HD11 LEU 108 HD11 LEU 108 -4.102 -3.646 -3.609 809 HD12 LEU 108 HD12 LEU 108 -3.616 -4.352 -5.149 810 HD13 LEU 108 HD13 LEU 108 -2.867 -4.905 -3.649 811 HD21 LEU 108 HD21 LEU 108 -6.517 -4.256 -3.932 812 HD22 LEU 108 HD22 LEU 108 -6.920 -5.890 -4.459 813 HD23 LEU 108 HD23 LEU 108 -6.046 -4.805 -5.542 814 H VAL 109 H VAL 109 -4.211 -4.971 -7.642 815 HA VAL 109 HA VAL 109 -1.284 -4.922 -7.443 816 HB VAL 109 HB VAL 109 -1.770 -5.731 -9.648 817 HG11 VAL 109 HG11 VAL 109 -3.560 -3.331 -10.017 818 HG12 VAL 109 HG12 VAL 109 -4.097 -5.001 -9.812 819 HG13 VAL 109 HG13 VAL 109 -3.169 -4.542 -11.240 820 HG21 VAL 109 HG21 VAL 109 0.082 -4.288 -9.651 821 HG22 VAL 109 HG22 VAL 109 -0.934 -2.849 -9.562 822 HG23 VAL 109 HG23 VAL 109 -0.890 -3.805 -11.042 823 H GLU 110 H GLU 110 -0.648 -3.171 -6.433 824 HA GLU 110 HA GLU 110 -2.364 -0.795 -6.512 825 HB2 GLU 110 HB2 GLU 110 -0.216 -1.678 -4.596 826 HB3 GLU 110 HB3 GLU 110 -0.875 -0.049 -4.588 827 HG2 GLU 110 HG2 GLU 110 -3.006 -0.801 -3.957 828 HG3 GLU 110 HG3 GLU 110 -2.611 -2.476 -4.341 829 H ILE 111 H ILE 111 -1.709 1.049 -7.374 830 HA ILE 111 HA ILE 111 1.033 1.153 -8.441 831 HB ILE 111 HB ILE 111 -1.425 2.524 -9.555 832 HG12 ILE 111 HG12 ILE 111 -0.346 0.847 -11.498 833 HG13 ILE 111 HG13 ILE 111 -0.254 -0.105 -10.024 834 HG21 ILE 111 HG21 ILE 111 0.558 3.846 -9.910 835 HG22 ILE 111 HG22 ILE 111 0.071 3.106 -11.434 836 HG23 ILE 111 HG23 ILE 111 1.430 2.438 -10.524 837 HD11 ILE 111 HD11 ILE 111 -2.636 0.174 -9.665 838 HD12 ILE 111 HD12 ILE 111 -2.311 -0.527 -11.255 839 HD13 ILE 111 HD13 ILE 111 -2.745 1.177 -11.112 840 H SER 112 H SER 112 2.277 2.626 -7.540 841 HA SER 112 HA SER 112 1.018 4.957 -6.251 842 HB2 SER 112 HB2 SER 112 3.607 3.754 -5.294 843 HB3 SER 112 HB3 SER 112 2.481 4.798 -4.424 844 HG SER 112 HG SER 112 1.229 3.118 -3.981 845 H THR 113 H THR 113 1.400 6.546 -7.655 846 HA THR 113 HA THR 113 3.961 6.744 -9.017 847 HB THR 113 HB THR 113 1.963 8.906 -9.321 848 HG1 THR 113 HG1 THR 113 0.606 7.561 -10.602 849 HG21 THR 113 HG21 THR 113 3.621 7.205 -11.184 850 HG22 THR 113 HG22 THR 113 3.868 8.900 -10.754 851 HG23 THR 113 HG23 THR 113 2.479 8.433 -11.732 852 H SER 114 H SER 114 5.507 8.259 -8.578 853 HA SER 114 HA SER 114 4.887 10.544 -6.929 854 HB2 SER 114 HB2 SER 114 5.392 8.622 -5.332 855 HB3 SER 114 HB3 SER 114 7.040 8.658 -5.967 856 HG SER 114 HG SER 114 5.678 10.864 -4.792 857 H SER 115 H SER 115 5.817 12.154 -7.923 858 HA SER 115 HA SER 115 7.260 13.438 -9.092 859 HB2 SER 115 HB2 SER 115 9.491 11.613 -8.233 860 HB3 SER 115 HB3 SER 115 9.530 13.359 -8.471 861 HG SER 115 HG SER 115 8.222 11.934 -6.389 862 H GLY 116 H GLY 116 6.033 11.196 -10.477 863 HA2 GLY 116 HA2 GLY 116 6.179 10.786 -12.807 864 HA3 GLY 116 HA3 GLY 116 7.899 11.129 -12.731 865 H VAL 117 H VAL 117 8.036 9.263 -10.302 866 HA VAL 117 HA VAL 117 8.531 6.889 -11.892 867 HB VAL 117 HB VAL 117 9.033 7.432 -8.958 868 HG11 VAL 117 HG11 VAL 117 10.374 5.356 -8.998 869 HG12 VAL 117 HG12 VAL 117 9.805 5.039 -10.636 870 HG13 VAL 117 HG13 VAL 117 8.661 5.051 -9.295 871 HG21 VAL 117 HG21 VAL 117 10.442 8.727 -10.480 872 HG22 VAL 117 HG22 VAL 117 10.918 7.243 -11.310 873 HG23 VAL 117 HG23 VAL 117 11.386 7.504 -9.629 874 H VAL 118 H VAL 118 7.116 5.332 -12.157 875 HA VAL 118 HA VAL 118 4.776 5.207 -10.422 876 HB VAL 118 HB VAL 118 5.288 3.779 -13.034 877 HG11 VAL 118 HG11 VAL 118 2.908 3.946 -11.216 878 HG12 VAL 118 HG12 VAL 118 3.672 2.518 -11.917 879 HG13 VAL 118 HG13 VAL 118 2.732 3.605 -12.938 880 HG21 VAL 118 HG21 VAL 118 3.306 5.953 -12.801 881 HG22 VAL 118 HG22 VAL 118 4.335 5.496 -14.159 882 HG23 VAL 118 HG23 VAL 118 5.007 6.415 -12.808 883 H TYR 119 H TYR 119 4.964 3.933 -8.729 884 HA TYR 119 HA TYR 119 6.531 1.461 -8.917 885 HB2 TYR 119 HB2 TYR 119 7.077 2.746 -6.966 886 HB3 TYR 119 HB3 TYR 119 5.381 2.963 -6.558 887 HD1 TYR 119 HD1 TYR 119 7.956 0.293 -6.954 888 HD2 TYR 119 HD2 TYR 119 4.388 1.540 -5.005 889 HE1 TYR 119 HE1 TYR 119 8.044 -1.704 -5.525 890 HE2 TYR 119 HE2 TYR 119 4.471 -0.452 -3.564 891 HH TYR 119 HH TYR 119 7.201 -2.678 -3.666 892 H LYS 120 H LYS 120 5.583 -0.497 -8.944 893 HA LYS 120 HA LYS 120 2.711 -0.636 -8.376 894 HB2 LYS 120 HB2 LYS 120 4.211 -1.775 -10.731 895 HB3 LYS 120 HB3 LYS 120 2.588 -2.268 -10.288 896 HG2 LYS 120 HG2 LYS 120 1.657 -0.257 -10.904 897 HG3 LYS 120 HG3 LYS 120 3.166 0.627 -10.679 898 HD2 LYS 120 HD2 LYS 120 2.794 0.520 -13.013 899 HD3 LYS 120 HD3 LYS 120 4.071 -0.646 -12.656 900 HE2 LYS 120 HE2 LYS 120 2.178 -2.371 -12.507 901 HE3 LYS 120 HE3 LYS 120 1.192 -1.154 -13.317 902 HZ1 LYS 120 HZ1 LYS 120 2.586 -1.193 -15.189 903 HZ2 LYS 120 HZ2 LYS 120 2.327 -2.818 -14.794 904 HZ3 LYS 120 HZ3 LYS 120 3.793 -2.074 -14.389 905 H ARG 121 H ARG 121 2.038 -2.402 -7.276 906 HA ARG 121 HA ARG 121 3.936 -4.604 -6.869 907 HB2 ARG 121 HB2 ARG 121 3.219 -4.673 -4.445 908 HB3 ARG 121 HB3 ARG 121 4.255 -3.323 -4.884 909 HG2 ARG 121 HG2 ARG 121 2.758 -1.894 -4.102 910 HG3 ARG 121 HG3 ARG 121 1.543 -2.533 -5.208 911 HD2 ARG 121 HD2 ARG 121 0.681 -2.734 -2.994 912 HD3 ARG 121 HD3 ARG 121 1.098 -4.349 -3.558 913 HE ARG 121 HE ARG 121 3.291 -3.804 -2.238 914 HH11 ARG 121 HH11 ARG 121 -0.040 -3.039 -1.346 915 HH12 ARG 121 HH12 ARG 121 0.320 -3.094 0.428 916 HH21 ARG 121 HH21 ARG 121 3.749 -3.908 0.023 917 HH22 ARG 121 HH22 ARG 121 2.408 -3.580 1.188 918 H THR 122 H THR 122 3.036 -6.537 -7.092 919 HA THR 122 HA THR 122 0.098 -6.705 -7.229 920 HB THR 122 HB THR 122 2.097 -8.610 -8.458 921 HG1 THR 122 HG1 THR 122 1.103 -6.153 -9.344 922 HG21 THR 122 HG21 THR 122 0.125 -9.186 -9.883 923 HG22 THR 122 HG22 THR 122 -0.861 -8.178 -8.821 924 HG23 THR 122 HG23 THR 122 -0.054 -9.608 -8.180 925 H SER 123 H SER 123 -0.940 -8.023 -5.874 926 HA SER 123 HA SER 123 0.639 -9.973 -4.332 927 HB2 SER 123 HB2 SER 123 -1.669 -8.416 -3.174 928 HB3 SER 123 HB3 SER 123 -0.439 -9.348 -2.318 929 HG SER 123 HG SER 123 -0.273 -6.795 -3.470 930 H LYS 124 H LYS 124 -0.336 -11.949 -3.994 931 HA LYS 124 HA LYS 124 -2.748 -12.424 -5.565 932 HB2 LYS 124 HB2 LYS 124 -2.286 -14.822 -5.157 933 HB3 LYS 124 HB3 LYS 124 -0.943 -13.985 -5.919 934 HG2 LYS 124 HG2 LYS 124 0.030 -13.760 -3.570 935 HG3 LYS 124 HG3 LYS 124 -1.182 -14.956 -3.097 936 HD2 LYS 124 HD2 LYS 124 -0.281 -16.591 -4.545 937 HD3 LYS 124 HD3 LYS 124 0.708 -15.398 -5.392 938 HE2 LYS 124 HE2 LYS 124 1.755 -15.051 -3.013 939 HE3 LYS 124 HE3 LYS 124 1.116 -16.672 -2.729 940 HZ1 LYS 124 HZ1 LYS 124 2.971 -15.887 -4.920 941 HZ2 LYS 124 HZ2 LYS 124 2.341 -17.441 -4.678 942 HZ3 LYS 124 HZ3 LYS 124 3.387 -16.772 -3.532 943 H LYS 125 H LYS 125 -4.528 -13.699 -4.660 944 HA LYS 125 HA LYS 125 -5.099 -12.759 -1.964 945 HB2 LYS 125 HB2 LYS 125 -6.620 -12.638 -4.184 946 HB3 LYS 125 HB3 LYS 125 -7.194 -14.156 -3.510 947 HG2 LYS 125 HG2 LYS 125 -7.042 -11.664 -1.857 948 HG3 LYS 125 HG3 LYS 125 -8.435 -12.021 -2.871 949 HD2 LYS 125 HD2 LYS 125 -7.539 -14.194 -1.101 950 HD3 LYS 125 HD3 LYS 125 -8.227 -12.777 -0.303 951 HE2 LYS 125 HE2 LYS 125 -9.501 -14.597 -2.329 952 HE3 LYS 125 HE3 LYS 125 -10.034 -14.239 -0.688 953 HZ1 LYS 125 HZ1 LYS 125 -10.178 -12.493 -3.073 954 HZ2 LYS 125 HZ2 LYS 125 -10.337 -11.870 -1.506 955 HZ3 LYS 125 HZ3 LYS 125 -11.439 -13.015 -2.078 956 H ILE 126 H ILE 126 -5.339 -14.003 -0.282 957 HA ILE 126 HA ILE 126 -5.711 -16.883 -0.602 958 HB ILE 126 HB ILE 126 -3.895 -16.297 1.595 959 HG12 ILE 126 HG12 ILE 126 -1.930 -16.278 -0.230 960 HG13 ILE 126 HG13 ILE 126 -3.145 -15.384 -1.138 961 HG21 ILE 126 HG21 ILE 126 -4.524 -18.520 0.723 962 HG22 ILE 126 HG22 ILE 126 -2.780 -18.265 0.797 963 HG23 ILE 126 HG23 ILE 126 -3.622 -18.159 -0.752 964 HD11 ILE 126 HD11 ILE 126 -3.326 -13.782 0.695 965 HD12 ILE 126 HD12 ILE 126 -1.681 -13.884 0.061 966 HD13 ILE 126 HD13 ILE 126 -2.094 -14.676 1.582 967 H ALA 127 H ALA 127 -6.261 -17.872 1.575 968 HA ALA 127 HA ALA 127 -7.337 -15.976 3.506 969 HB1 ALA 127 HB1 ALA 127 -9.196 -16.349 1.951 970 HB2 ALA 127 HB2 ALA 127 -9.541 -17.018 3.545 971 HB3 ALA 127 HB3 ALA 127 -9.078 -18.088 2.220 972 H11 CHO 200 H11 CHO 200 6.764 -0.372 -1.604 973 H12 CHO 200 H12 CHO 200 7.380 -1.460 -0.328 974 H21 CHO 200 H21 CHO 200 5.395 -1.006 1.044 975 H22 CHO 200 H22 CHO 200 4.922 -1.621 -0.566 976 H3 CHO 200 H3 CHO 200 4.473 0.678 -1.325 977 HO3 CHO 200 HO3 CHO 200 3.239 0.059 1.226 978 H41 CHO 200 H41 CHO 200 5.169 1.439 1.549 979 H42 CHO 200 H42 CHO 200 4.555 2.543 0.293 980 H5 CHO 200 H5 CHO 200 6.546 2.073 -1.095 981 H61 CHO 200 H61 CHO 200 6.535 3.947 0.558 982 H62 CHO 200 H62 CHO 200 8.167 3.291 0.284 983 H7 CHO 200 H7 CHO 200 7.792 3.621 2.681 984 HO7 CHO 200 HO7 CHO 200 5.738 1.612 2.602 985 H8 CHO 200 H8 CHO 200 9.162 1.723 2.015 986 H9 CHO 200 H9 CHO 200 6.547 0.158 2.074 987 H111 CHO 200 H111 CHO 200 9.360 -0.813 1.479 988 H112 CHO 200 H112 CHO 200 7.849 -1.780 1.460 989 H121 CHO 200 H121 CHO 200 9.160 -2.109 3.553 990 H122 CHO 200 H122 CHO 200 7.549 -1.428 3.856 991 H14 CHO 200 H14 CHO 200 7.218 1.094 4.199 992 H151 CHO 200 H151 CHO 200 8.379 3.075 4.982 993 H152 CHO 200 H152 CHO 200 9.882 2.645 4.242 994 H161 CHO 200 H161 CHO 200 8.699 1.690 6.825 995 H162 CHO 200 H162 CHO 200 10.379 1.617 6.341 996 H17 CHO 200 H17 CHO 200 8.247 -0.477 6.019 997 H181 CHO 200 H181 CHO 200 10.848 1.294 3.773 998 H182 CHO 200 H182 CHO 200 10.567 0.131 2.455 999 H183 CHO 200 H183 CHO 200 11.285 -0.417 3.989 1000 H191 CHO 200 H191 CHO 200 9.112 1.914 -0.241 1001 H192 CHO 200 H192 CHO 200 8.834 0.645 -1.459 1002 H193 CHO 200 H193 CHO 200 9.552 0.226 0.115 1003 H20 CHO 200 H20 CHO 200 11.222 -0.578 5.851 1004 H211 CHO 200 H211 CHO 200 9.911 -3.049 6.554 1005 H212 CHO 200 H212 CHO 200 11.011 -2.707 5.196 1006 H213 CHO 200 H213 CHO 200 9.260 -2.448 5.010 1007 H221 CHO 200 H221 CHO 200 9.255 -1.247 8.079 1008 H222 CHO 200 H222 CHO 200 10.417 0.107 8.060 1009 H231 CHO 200 H231 CHO 200 12.290 -1.486 7.951 1010 H232 CHO 200 H232 CHO 200 11.120 -2.847 7.951 1011 HN CHO 200 HN CHO 200 11.571 -3.866 9.840 1012 H261 CHO 200 H261 CHO 200 11.565 -4.294 12.057 1013 H262 CHO 200 H262 CHO 200 10.545 -2.849 12.263 1014 H11 CHO 201 H11 CHO 201 -6.287 4.389 0.439 1015 H12 CHO 201 H12 CHO 201 -4.867 5.122 -0.357 1016 H21 CHO 201 H21 CHO 201 -3.925 2.891 -0.775 1017 H22 CHO 201 H22 CHO 201 -5.565 3.018 -1.469 1018 H3 CHO 201 H3 CHO 201 -6.500 1.856 0.498 1019 HO3 CHO 201 HO3 CHO 201 -4.197 0.452 -0.564 1020 H41 CHO 201 H41 CHO 201 -3.586 1.641 1.377 1021 H42 CHO 201 H42 CHO 201 -4.980 0.886 2.186 1022 H5 CHO 201 H5 CHO 201 -5.965 3.126 2.572 1023 H61 CHO 201 H61 CHO 201 -4.451 2.078 4.256 1024 H62 CHO 201 H62 CHO 201 -4.395 3.858 4.298 1025 H7 CHO 201 H7 CHO 201 -2.125 2.961 4.415 1026 HO7 CHO 201 HO7 CHO 201 -1.329 1.704 2.585 1027 H8 CHO 201 H8 CHO 201 -2.445 5.041 3.195 1028 H9 CHO 201 H9 CHO 201 -2.733 3.239 0.745 1029 H111 CHO 201 H111 CHO 201 -2.807 6.263 0.892 1030 H112 CHO 201 H112 CHO 201 -2.959 5.217 -0.565 1031 H121 CHO 201 H121 CHO 201 -0.692 6.241 -0.340 1032 H122 CHO 201 H122 CHO 201 -0.659 4.471 -0.329 1033 H14 CHO 201 H14 CHO 201 -0.556 3.146 1.856 1034 H151 CHO 201 H151 CHO 201 0.184 3.368 4.200 1035 H152 CHO 201 H152 CHO 201 -0.128 5.052 4.273 1036 H161 CHO 201 H161 CHO 201 2.017 3.546 2.680 1037 H162 CHO 201 H162 CHO 201 2.219 5.057 3.536 1038 H17 CHO 201 H17 CHO 201 1.570 4.720 0.726 1039 H181 CHO 201 H181 CHO 201 -0.779 7.480 1.757 1040 H182 CHO 201 H182 CHO 201 -0.083 6.769 3.234 1041 H183 CHO 201 H183 CHO 201 -1.775 6.432 2.795 1042 H191 CHO 201 H191 CHO 201 -4.665 6.389 1.693 1043 H192 CHO 201 H192 CHO 201 -4.024 5.620 3.166 1044 H193 CHO 201 H193 CHO 201 -5.753 5.476 2.766 1045 H20 CHO 201 H20 CHO 201 1.571 7.186 2.432 1046 H211 CHO 201 H211 CHO 201 1.203 6.700 -0.485 1047 H212 CHO 201 H212 CHO 201 2.286 8.034 -0.018 1048 H213 CHO 201 H213 CHO 201 0.599 8.018 0.547 1049 H221 CHO 201 H221 CHO 201 3.735 5.901 0.724 1050 H222 CHO 201 H222 CHO 201 3.673 5.925 2.515 1051 H231 CHO 201 H231 CHO 201 3.734 8.402 2.460 1052 H232 CHO 201 H232 CHO 201 3.893 8.329 0.678 1053 HN CHO 201 HN CHO 201 5.381 5.817 2.622 1054 H261 CHO 201 H261 CHO 201 8.054 7.003 2.105 1055 H262 CHO 201 H262 CHO 201 7.681 5.267 2.033 Start of MODEL 4 1 H ALA 1 H ALA 1 -13.920 -6.122 -5.388 2 HA ALA 1 HA ALA 1 -14.163 -8.003 -3.940 3 HB1 ALA 1 HB1 ALA 1 -12.519 -9.416 -6.033 4 HB2 ALA 1 HB2 ALA 1 -14.184 -9.775 -5.571 5 HB3 ALA 1 HB3 ALA 1 -12.869 -10.063 -4.432 6 H PHE 2 H PHE 2 -13.084 -6.478 -2.672 7 HA PHE 2 HA PHE 2 -10.164 -6.418 -2.927 8 HB2 PHE 2 HB2 PHE 2 -12.145 -4.532 -1.692 9 HB3 PHE 2 HB3 PHE 2 -10.449 -4.482 -1.215 10 HD1 PHE 2 HD1 PHE 2 -8.841 -4.677 -3.415 11 HD2 PHE 2 HD2 PHE 2 -12.729 -2.955 -3.257 12 HE1 PHE 2 HE1 PHE 2 -8.310 -3.306 -5.388 13 HE2 PHE 2 HE2 PHE 2 -12.205 -1.585 -5.229 14 HZ PHE 2 HZ PHE 2 -9.991 -1.758 -6.295 15 H THR 3 H THR 3 -12.711 -7.523 -0.875 16 HA THR 3 HA THR 3 -11.289 -7.723 1.542 17 HB THR 3 HB THR 3 -13.357 -9.738 0.763 18 HG1 THR 3 HG1 THR 3 -14.832 -8.239 0.519 19 HG21 THR 3 HG21 THR 3 -12.341 -9.835 2.985 20 HG22 THR 3 HG22 THR 3 -14.055 -9.427 3.087 21 HG23 THR 3 HG23 THR 3 -12.834 -8.167 3.284 22 H GLY 4 H GLY 4 -9.959 -9.276 2.347 23 HA2 GLY 4 HA2 GLY 4 -9.498 -11.797 2.022 24 HA3 GLY 4 HA3 GLY 4 -9.069 -11.271 0.410 25 H LYS 5 H LYS 5 -7.236 -12.596 1.910 26 HA LYS 5 HA LYS 5 -5.429 -10.527 2.919 27 HB2 LYS 5 HB2 LYS 5 -4.546 -12.075 4.304 28 HB3 LYS 5 HB3 LYS 5 -5.990 -13.006 3.939 29 HG2 LYS 5 HG2 LYS 5 -4.665 -14.044 2.042 30 HG3 LYS 5 HG3 LYS 5 -3.242 -13.295 2.768 31 HD2 LYS 5 HD2 LYS 5 -5.104 -15.233 4.143 32 HD3 LYS 5 HD3 LYS 5 -3.524 -15.633 3.474 33 HE2 LYS 5 HE2 LYS 5 -2.674 -15.155 5.473 34 HE3 LYS 5 HE3 LYS 5 -3.037 -13.464 5.137 35 HZ1 LYS 5 HZ1 LYS 5 -4.140 -15.119 7.104 36 HZ2 LYS 5 HZ2 LYS 5 -5.375 -14.702 6.033 37 HZ3 LYS 5 HZ3 LYS 5 -4.481 -13.485 6.800 38 H TYR 6 H TYR 6 -3.396 -10.205 1.977 39 HA TYR 6 HA TYR 6 -3.021 -11.520 -0.634 40 HB2 TYR 6 HB2 TYR 6 -2.493 -8.613 0.024 41 HB3 TYR 6 HB3 TYR 6 -2.169 -9.388 -1.521 42 HD1 TYR 6 HD1 TYR 6 -4.078 -10.200 -2.910 43 HD2 TYR 6 HD2 TYR 6 -4.670 -7.830 0.574 44 HE1 TYR 6 HE1 TYR 6 -6.358 -9.670 -3.658 45 HE2 TYR 6 HE2 TYR 6 -6.949 -7.298 -0.169 46 HH TYR 6 HH TYR 6 -8.515 -7.655 -1.691 47 H GLU 7 H GLU 7 -0.976 -12.075 -1.195 48 HA GLU 7 HA GLU 7 1.153 -11.535 0.770 49 HB2 GLU 7 HB2 GLU 7 0.487 -14.063 -0.727 50 HB3 GLU 7 HB3 GLU 7 2.106 -13.771 -0.110 51 HG2 GLU 7 HG2 GLU 7 1.217 -13.609 2.156 52 HG3 GLU 7 HG3 GLU 7 -0.412 -13.884 1.538 53 H PHE 8 H PHE 8 3.247 -11.254 -0.076 54 HA PHE 8 HA PHE 8 3.453 -9.752 -2.399 55 HB2 PHE 8 HB2 PHE 8 5.139 -9.660 -0.640 56 HB3 PHE 8 HB3 PHE 8 5.608 -11.324 -0.961 57 HD1 PHE 8 HD1 PHE 8 5.057 -8.321 -3.119 58 HD2 PHE 8 HD2 PHE 8 7.684 -11.439 -1.903 59 HE1 PHE 8 HE1 PHE 8 6.726 -7.547 -4.746 60 HE2 PHE 8 HE2 PHE 8 9.359 -10.665 -3.529 61 HZ PHE 8 HZ PHE 8 8.883 -8.715 -4.950 62 H GLU 9 H GLU 9 3.694 -10.168 -4.479 63 HA GLU 9 HA GLU 9 4.247 -12.931 -5.317 64 HB2 GLU 9 HB2 GLU 9 1.838 -12.271 -5.536 65 HB3 GLU 9 HB3 GLU 9 2.343 -11.030 -6.679 66 HG2 GLU 9 HG2 GLU 9 1.947 -12.587 -8.224 67 HG3 GLU 9 HG3 GLU 9 3.513 -13.235 -7.735 68 H SER 10 H SER 10 4.017 -9.606 -6.584 69 HA SER 10 HA SER 10 6.700 -9.796 -7.665 70 HB2 SER 10 HB2 SER 10 4.289 -9.436 -9.450 71 HB3 SER 10 HB3 SER 10 5.956 -9.223 -9.967 72 HG SER 10 HG SER 10 5.652 -11.607 -8.741 73 H ASP 11 H ASP 11 7.376 -7.689 -8.677 74 HA ASP 11 HA ASP 11 5.784 -5.374 -8.042 75 HB2 ASP 11 HB2 ASP 11 7.226 -4.350 -6.486 76 HB3 ASP 11 HB3 ASP 11 7.098 -6.007 -5.914 77 H GLU 12 H GLU 12 6.647 -3.445 -8.989 78 HA GLU 12 HA GLU 12 8.895 -3.838 -10.812 79 HB2 GLU 12 HB2 GLU 12 7.140 -4.334 -12.281 80 HB3 GLU 12 HB3 GLU 12 6.087 -3.141 -11.557 81 HG2 GLU 12 HG2 GLU 12 7.423 -1.342 -12.541 82 HG3 GLU 12 HG3 GLU 12 8.497 -2.544 -13.256 83 H ASN 13 H ASN 13 10.075 -2.093 -11.135 84 HA ASN 13 HA ASN 13 11.032 -0.070 -10.790 85 HB2 ASN 13 HB2 ASN 13 8.576 0.452 -11.799 86 HB3 ASN 13 HB3 ASN 13 8.480 1.331 -10.277 87 HD21 ASN 13 HD21 ASN 13 8.327 3.222 -11.548 88 HD22 ASN 13 HD22 ASN 13 9.748 3.948 -12.217 89 H TYR 14 H TYR 14 11.119 -1.599 -8.588 90 HA TYR 14 HA TYR 14 10.004 -0.289 -6.288 91 HB2 TYR 14 HB2 TYR 14 10.508 -2.762 -6.456 92 HB3 TYR 14 HB3 TYR 14 12.213 -2.354 -6.321 93 HD1 TYR 14 HD1 TYR 14 12.826 -0.859 -4.220 94 HD2 TYR 14 HD2 TYR 14 9.347 -3.302 -4.493 95 HE1 TYR 14 HE1 TYR 14 12.654 -0.877 -1.773 96 HE2 TYR 14 HE2 TYR 14 9.174 -3.328 -2.028 97 HH TYR 14 HH TYR 14 10.525 -2.947 -0.070 98 H ASP 15 H ASP 15 13.360 -0.735 -7.440 99 HA ASP 15 HA ASP 15 14.618 0.818 -5.484 100 HB2 ASP 15 HB2 ASP 15 15.585 0.529 -8.322 101 HB3 ASP 15 HB3 ASP 15 16.549 0.832 -6.886 102 H ASP 16 H ASP 16 13.388 1.755 -8.657 103 HA ASP 16 HA ASP 16 14.359 4.394 -8.631 104 HB2 ASP 16 HB2 ASP 16 12.807 2.794 -10.326 105 HB3 ASP 16 HB3 ASP 16 11.829 4.218 -9.985 106 H PHE 17 H PHE 17 11.381 2.970 -7.452 107 HA PHE 17 HA PHE 17 10.041 5.349 -6.771 108 HB2 PHE 17 HB2 PHE 17 8.907 3.190 -6.966 109 HB3 PHE 17 HB3 PHE 17 9.809 2.580 -5.580 110 HD1 PHE 17 HD1 PHE 17 7.375 5.192 -6.588 111 HD2 PHE 17 HD2 PHE 17 8.981 2.842 -3.427 112 HE1 PHE 17 HE1 PHE 17 5.617 6.022 -5.081 113 HE2 PHE 17 HE2 PHE 17 7.226 3.668 -1.921 114 HZ PHE 17 HZ PHE 17 5.540 5.253 -2.749 115 H VAL 18 H VAL 18 11.862 3.074 -4.741 116 HA VAL 18 HA VAL 18 11.661 4.573 -2.379 117 HB VAL 18 HB VAL 18 13.544 3.188 -1.560 118 HG11 VAL 18 HG11 VAL 18 11.530 1.492 -3.001 119 HG12 VAL 18 HG12 VAL 18 11.103 2.487 -1.611 120 HG13 VAL 18 HG13 VAL 18 12.295 1.200 -1.440 121 HG21 VAL 18 HG21 VAL 18 14.262 1.302 -3.069 122 HG22 VAL 18 HG22 VAL 18 14.892 2.896 -3.487 123 HG23 VAL 18 HG23 VAL 18 13.549 2.212 -4.405 124 H LYS 19 H LYS 19 14.053 4.649 -4.983 125 HA LYS 19 HA LYS 19 15.885 6.337 -3.609 126 HB2 LYS 19 HB2 LYS 19 15.493 5.525 -6.463 127 HB3 LYS 19 HB3 LYS 19 16.547 6.886 -6.108 128 HG2 LYS 19 HG2 LYS 19 16.849 4.150 -4.890 129 HG3 LYS 19 HG3 LYS 19 17.726 4.710 -6.317 130 HD2 LYS 19 HD2 LYS 19 19.050 6.124 -5.123 131 HD3 LYS 19 HD3 LYS 19 17.817 6.417 -3.898 132 HE2 LYS 19 HE2 LYS 19 18.189 4.063 -3.106 133 HE3 LYS 19 HE3 LYS 19 19.578 3.996 -4.191 134 HZ1 LYS 19 HZ1 LYS 19 19.213 5.921 -1.959 135 HZ2 LYS 19 HZ2 LYS 19 20.540 5.881 -3.005 136 HZ3 LYS 19 HZ3 LYS 19 20.256 4.587 -1.956 137 H LYS 20 H LYS 20 12.939 6.872 -5.294 138 HA LYS 20 HA LYS 20 13.346 9.666 -5.819 139 HB2 LYS 20 HB2 LYS 20 11.465 7.658 -6.531 140 HB3 LYS 20 HB3 LYS 20 10.586 8.997 -5.801 141 HG2 LYS 20 HG2 LYS 20 12.645 9.491 -7.881 142 HG3 LYS 20 HG3 LYS 20 11.010 9.002 -8.325 143 HD2 LYS 20 HD2 LYS 20 10.160 10.907 -6.947 144 HD3 LYS 20 HD3 LYS 20 11.832 11.437 -6.759 145 HE2 LYS 20 HE2 LYS 20 10.424 11.066 -9.395 146 HE3 LYS 20 HE3 LYS 20 10.620 12.612 -8.571 147 HZ1 LYS 20 HZ1 LYS 20 13.026 12.340 -8.737 148 HZ2 LYS 20 HZ2 LYS 20 12.302 12.323 -10.262 149 HZ3 LYS 20 HZ3 LYS 20 12.822 10.878 -9.561 150 H ILE 21 H ILE 21 11.228 7.843 -3.660 151 HA ILE 21 HA ILE 21 10.328 10.128 -2.237 152 HB ILE 21 HB ILE 21 9.405 8.523 -0.608 153 HG12 ILE 21 HG12 ILE 21 10.492 6.326 -2.367 154 HG13 ILE 21 HG13 ILE 21 11.394 6.913 -0.973 155 HG21 ILE 21 HG21 ILE 21 8.000 7.251 -2.329 156 HG22 ILE 21 HG22 ILE 21 8.970 8.073 -3.552 157 HG23 ILE 21 HG23 ILE 21 7.994 9.011 -2.421 158 HD11 ILE 21 HD11 ILE 21 8.640 5.697 -0.920 159 HD12 ILE 21 HD12 ILE 21 9.521 6.314 0.479 160 HD13 ILE 21 HD13 ILE 21 10.143 4.924 -0.410 161 H GLY 22 H GLY 22 13.294 8.634 -2.242 162 HA2 GLY 22 HA2 GLY 22 15.155 9.026 -0.938 163 HA3 GLY 22 HA3 GLY 22 14.205 10.186 -0.025 164 H LEU 23 H LEU 23 13.556 6.741 -0.459 165 HA LEU 23 HA LEU 23 13.174 6.383 2.349 166 HB2 LEU 23 HB2 LEU 23 12.070 5.099 0.424 167 HB3 LEU 23 HB3 LEU 23 13.571 4.203 0.312 168 HG LEU 23 HG LEU 23 13.262 3.467 2.676 169 HD11 LEU 23 HD11 LEU 23 10.459 4.512 2.422 170 HD12 LEU 23 HD12 LEU 23 11.727 5.416 3.239 171 HD13 LEU 23 HD13 LEU 23 11.251 3.829 3.840 172 HD21 LEU 23 HD21 LEU 23 11.272 2.822 0.543 173 HD22 LEU 23 HD22 LEU 23 11.180 2.048 2.119 174 HD23 LEU 23 HD23 LEU 23 12.626 1.860 1.134 175 HA PRO 24 HA PRO 24 17.469 5.706 3.365 176 HB2 PRO 24 HB2 PRO 24 17.068 4.435 5.768 177 HB3 PRO 24 HB3 PRO 24 16.957 6.192 5.559 178 HG2 PRO 24 HG2 PRO 24 14.773 4.170 5.668 179 HG3 PRO 24 HG3 PRO 24 14.866 5.781 6.406 180 HD2 PRO 24 HD2 PRO 24 13.466 5.343 4.162 181 HD3 PRO 24 HD3 PRO 24 14.331 6.866 4.448 182 H ALA 25 H ALA 25 18.906 4.073 3.069 183 HA ALA 25 HA ALA 25 18.220 1.719 1.778 184 HB1 ALA 25 HB1 ALA 25 20.700 2.024 3.456 185 HB2 ALA 25 HB2 ALA 25 20.490 2.823 1.898 186 HB3 ALA 25 HB3 ALA 25 20.485 1.064 1.993 187 H ASP 26 H ASP 26 18.611 2.361 5.183 188 HA ASP 26 HA ASP 26 18.714 -0.224 6.203 189 HB2 ASP 26 HB2 ASP 26 17.167 1.828 7.715 190 HB3 ASP 26 HB3 ASP 26 18.412 0.727 8.282 191 H LYS 27 H LYS 27 15.975 1.780 5.279 192 HA LYS 27 HA LYS 27 14.082 -0.228 6.201 193 HB2 LYS 27 HB2 LYS 27 13.614 2.462 4.906 194 HB3 LYS 27 HB3 LYS 27 12.350 1.407 5.512 195 HG2 LYS 27 HG2 LYS 27 14.529 2.631 7.197 196 HG3 LYS 27 HG3 LYS 27 12.888 3.255 7.046 197 HD2 LYS 27 HD2 LYS 27 12.019 1.128 7.944 198 HD3 LYS 27 HD3 LYS 27 13.678 0.558 8.144 199 HE2 LYS 27 HE2 LYS 27 14.132 2.398 9.685 200 HE3 LYS 27 HE3 LYS 27 12.493 2.998 9.466 201 HZ1 LYS 27 HZ1 LYS 27 13.233 0.386 10.670 202 HZ2 LYS 27 HZ2 LYS 27 11.653 0.938 10.437 203 HZ3 LYS 27 HZ3 LYS 27 12.682 1.744 11.504 204 H ILE 28 H ILE 28 15.436 1.044 3.244 205 HA ILE 28 HA ILE 28 13.644 0.022 1.377 206 HB ILE 28 HB ILE 28 16.631 0.437 1.180 207 HG12 ILE 28 HG12 ILE 28 14.276 1.995 0.088 208 HG13 ILE 28 HG13 ILE 28 15.271 2.473 1.459 209 HG21 ILE 28 HG21 ILE 28 15.930 -1.290 -0.408 210 HG22 ILE 28 HG22 ILE 28 16.423 0.189 -1.230 211 HG23 ILE 28 HG23 ILE 28 14.709 -0.197 -1.057 212 HD11 ILE 28 HD11 ILE 28 16.062 3.743 -0.324 213 HD12 ILE 28 HD12 ILE 28 15.997 2.384 -1.443 214 HD13 ILE 28 HD13 ILE 28 17.229 2.428 -0.182 215 H GLU 29 H GLU 29 16.710 -1.454 2.445 216 HA GLU 29 HA GLU 29 16.272 -3.913 1.114 217 HB2 GLU 29 HB2 GLU 29 18.085 -3.254 3.440 218 HB3 GLU 29 HB3 GLU 29 18.163 -4.729 2.486 219 HG2 GLU 29 HG2 GLU 29 18.710 -1.924 1.539 220 HG3 GLU 29 HG3 GLU 29 19.872 -3.236 1.737 221 H MET 30 H MET 30 15.436 -2.697 4.230 222 HA MET 30 HA MET 30 14.836 -5.145 5.502 223 HB2 MET 30 HB2 MET 30 15.271 -3.009 6.668 224 HB3 MET 30 HB3 MET 30 13.764 -2.370 6.038 225 HG2 MET 30 HG2 MET 30 13.357 -2.998 8.257 226 HG3 MET 30 HG3 MET 30 12.589 -4.219 7.246 227 HE1 MET 30 HE1 MET 30 13.368 -6.547 6.893 228 HE2 MET 30 HE2 MET 30 12.524 -6.501 8.439 229 HE3 MET 30 HE3 MET 30 14.010 -7.432 8.276 230 H GLY 31 H GLY 31 12.915 -2.847 3.619 231 HA2 GLY 31 HA2 GLY 31 10.557 -4.581 3.930 232 HA3 GLY 31 HA3 GLY 31 10.539 -2.904 3.410 233 H ARG 32 H ARG 32 12.805 -5.197 2.050 234 HA ARG 32 HA ARG 32 11.156 -5.282 -0.391 235 HB2 ARG 32 HB2 ARG 32 12.954 -4.823 -1.795 236 HB3 ARG 32 HB3 ARG 32 13.201 -3.700 -0.467 237 HG2 ARG 32 HG2 ARG 32 14.840 -5.278 0.501 238 HG3 ARG 32 HG3 ARG 32 14.641 -6.308 -0.917 239 HD2 ARG 32 HD2 ARG 32 15.736 -3.509 -0.791 240 HD3 ARG 32 HD3 ARG 32 16.572 -4.978 -1.289 241 HE ARG 32 HE ARG 32 14.477 -4.746 -3.027 242 HH11 ARG 32 HH11 ARG 32 17.196 -2.712 -2.064 243 HH12 ARG 32 HH12 ARG 32 17.277 -1.890 -3.674 244 HH21 ARG 32 HH21 ARG 32 14.553 -3.724 -5.062 245 HH22 ARG 32 HH22 ARG 32 15.812 -2.455 -5.348 246 H ASN 33 H ASN 33 11.172 -7.167 -1.542 247 HA ASN 33 HA ASN 33 11.309 -9.409 -1.909 248 HB2 ASN 33 HB2 ASN 33 13.897 -8.639 -1.457 249 HB3 ASN 33 HB3 ASN 33 13.684 -9.891 -0.235 250 HD21 ASN 33 HD21 ASN 33 13.358 -9.197 -3.658 251 HD22 ASN 33 HD22 ASN 33 13.654 -10.816 -4.200 252 H CYS 34 H CYS 34 10.323 -8.119 0.731 253 HA CYS 34 HA CYS 34 10.398 -10.480 2.462 254 HB2 CYS 34 HB2 CYS 34 9.194 -8.845 4.046 255 HB3 CYS 34 HB3 CYS 34 10.887 -8.535 3.680 256 HG CYS 34 HG CYS 34 8.145 -6.835 2.623 257 H LYS 35 H LYS 35 8.441 -11.278 3.425 258 HA LYS 35 HA LYS 35 6.279 -11.352 1.496 259 HB2 LYS 35 HB2 LYS 35 5.362 -13.115 3.123 260 HB3 LYS 35 HB3 LYS 35 6.816 -13.508 2.222 261 HG2 LYS 35 HG2 LYS 35 8.145 -12.862 4.236 262 HG3 LYS 35 HG3 LYS 35 6.627 -12.685 5.115 263 HD2 LYS 35 HD2 LYS 35 6.157 -14.961 4.993 264 HD3 LYS 35 HD3 LYS 35 7.278 -15.218 3.658 265 HE2 LYS 35 HE2 LYS 35 9.144 -14.654 5.231 266 HE3 LYS 35 HE3 LYS 35 7.959 -14.654 6.536 267 HZ1 LYS 35 HZ1 LYS 35 8.540 -16.964 4.767 268 HZ2 LYS 35 HZ2 LYS 35 7.476 -16.955 6.082 269 HZ3 LYS 35 HZ3 LYS 35 9.138 -16.771 6.338 270 H ILE 36 H ILE 36 5.373 -9.321 1.734 271 HA ILE 36 HA ILE 36 4.302 -8.549 4.317 272 HB ILE 36 HB ILE 36 3.848 -7.142 1.683 273 HG12 ILE 36 HG12 ILE 36 6.258 -7.318 2.077 274 HG13 ILE 36 HG13 ILE 36 5.714 -5.667 2.316 275 HG21 ILE 36 HG21 ILE 36 2.333 -6.533 3.525 276 HG22 ILE 36 HG22 ILE 36 3.393 -5.197 3.077 277 HG23 ILE 36 HG23 ILE 36 3.729 -6.141 4.528 278 HD11 ILE 36 HD11 ILE 36 5.629 -6.141 4.770 279 HD12 ILE 36 HD12 ILE 36 7.239 -6.142 4.042 280 HD13 ILE 36 HD13 ILE 36 6.440 -7.666 4.418 281 H VAL 37 H VAL 37 2.367 -9.113 4.993 282 HA VAL 37 HA VAL 37 0.446 -10.142 3.030 283 HB VAL 37 HB VAL 37 0.328 -10.458 6.026 284 HG11 VAL 37 HG11 VAL 37 -1.210 -12.349 5.399 285 HG12 VAL 37 HG12 VAL 37 -1.203 -11.705 3.757 286 HG13 VAL 37 HG13 VAL 37 -1.831 -10.730 5.087 287 HG21 VAL 37 HG21 VAL 37 1.153 -12.617 4.116 288 HG22 VAL 37 HG22 VAL 37 1.359 -12.553 5.866 289 HG23 VAL 37 HG23 VAL 37 2.339 -11.522 4.823 290 H THR 38 H THR 38 -1.281 -9.000 2.530 291 HA THR 38 HA THR 38 -2.032 -6.749 4.278 292 HB THR 38 HB THR 38 -2.477 -7.088 1.295 293 HG1 THR 38 HG1 THR 38 -0.373 -6.477 1.683 294 HG21 THR 38 HG21 THR 38 -4.340 -5.870 2.125 295 HG22 THR 38 HG22 THR 38 -3.219 -4.676 1.470 296 HG23 THR 38 HG23 THR 38 -3.324 -4.925 3.215 297 H GLU 39 H GLU 39 -3.708 -7.300 5.514 298 HA GLU 39 HA GLU 39 -5.725 -9.132 4.418 299 HB2 GLU 39 HB2 GLU 39 -5.405 -8.244 7.291 300 HB3 GLU 39 HB3 GLU 39 -6.394 -9.568 6.687 301 HG2 GLU 39 HG2 GLU 39 -4.182 -10.536 5.807 302 HG3 GLU 39 HG3 GLU 39 -3.419 -9.405 6.920 303 H VAL 40 H VAL 40 -7.488 -8.298 3.604 304 HA VAL 40 HA VAL 40 -8.379 -5.644 4.519 305 HB VAL 40 HB VAL 40 -8.878 -7.016 1.876 306 HG11 VAL 40 HG11 VAL 40 -10.702 -5.502 2.662 307 HG12 VAL 40 HG12 VAL 40 -9.947 -5.022 1.144 308 HG13 VAL 40 HG13 VAL 40 -9.535 -4.179 2.638 309 HG21 VAL 40 HG21 VAL 40 -7.335 -5.482 0.907 310 HG22 VAL 40 HG22 VAL 40 -6.536 -6.209 2.303 311 HG23 VAL 40 HG23 VAL 40 -7.194 -4.578 2.414 312 H VAL 41 H VAL 41 -10.364 -5.405 5.322 313 HA VAL 41 HA VAL 41 -12.213 -7.693 5.172 314 HB VAL 41 HB VAL 41 -11.912 -5.684 7.418 315 HG11 VAL 41 HG11 VAL 41 -14.230 -6.312 7.179 316 HG12 VAL 41 HG12 VAL 41 -13.559 -7.111 8.599 317 HG13 VAL 41 HG13 VAL 41 -13.799 -8.020 7.107 318 HG21 VAL 41 HG21 VAL 41 -10.126 -7.413 7.282 319 HG22 VAL 41 HG22 VAL 41 -11.375 -8.648 7.461 320 HG23 VAL 41 HG23 VAL 41 -11.088 -7.485 8.757 321 H GLN 42 H GLN 42 -14.223 -7.293 4.430 322 HA GLN 42 HA GLN 42 -14.838 -4.682 3.377 323 HB2 GLN 42 HB2 GLN 42 -15.407 -6.661 2.076 324 HB3 GLN 42 HB3 GLN 42 -16.397 -7.279 3.388 325 HG2 GLN 42 HG2 GLN 42 -17.823 -6.372 1.688 326 HG3 GLN 42 HG3 GLN 42 -17.905 -5.347 3.118 327 HE21 GLN 42 HE21 GLN 42 -16.784 -5.599 -0.166 328 HE22 GLN 42 HE22 GLN 42 -16.455 -3.916 -0.387 329 H ASN 43 H ASN 43 -16.106 -3.183 4.296 330 HA ASN 43 HA ASN 43 -18.070 -3.913 6.296 331 HB2 ASN 43 HB2 ASN 43 -15.771 -3.513 7.425 332 HB3 ASN 43 HB3 ASN 43 -16.037 -1.818 7.033 333 HD21 ASN 43 HD21 ASN 43 -17.076 -4.514 8.959 334 HD22 ASN 43 HD22 ASN 43 -18.053 -3.606 10.059 335 H GLY 44 H GLY 44 -19.289 -3.154 4.383 336 HA2 GLY 44 HA2 GLY 44 -20.689 -1.558 3.482 337 HA3 GLY 44 HA3 GLY 44 -20.135 -0.451 4.728 338 H ASN 45 H ASN 45 -18.421 0.918 4.326 339 HA ASN 45 HA ASN 45 -17.245 0.828 1.640 340 HB2 ASN 45 HB2 ASN 45 -19.065 2.829 2.605 341 HB3 ASN 45 HB3 ASN 45 -17.495 3.559 2.290 342 HD21 ASN 45 HD21 ASN 45 -18.803 0.762 0.610 343 HD22 ASN 45 HD22 ASN 45 -18.957 1.531 -0.935 344 H ASP 46 H ASP 46 -16.633 0.445 4.668 345 HA ASP 46 HA ASP 46 -14.185 2.073 4.771 346 HB2 ASP 46 HB2 ASP 46 -15.772 2.291 6.684 347 HB3 ASP 46 HB3 ASP 46 -15.589 0.572 6.998 348 H PHE 47 H PHE 47 -12.537 0.960 3.902 349 HA PHE 47 HA PHE 47 -12.441 -1.947 4.272 350 HB2 PHE 47 HB2 PHE 47 -10.926 -0.125 2.386 351 HB3 PHE 47 HB3 PHE 47 -10.707 -1.869 2.481 352 HD1 PHE 47 HD1 PHE 47 -13.071 0.812 1.569 353 HD2 PHE 47 HD2 PHE 47 -12.259 -3.366 1.475 354 HE1 PHE 47 HE1 PHE 47 -14.929 0.490 -0.011 355 HE2 PHE 47 HE2 PHE 47 -14.112 -3.692 -0.111 356 HZ PHE 47 HZ PHE 47 -15.450 -1.765 -0.854 357 H THR 48 H THR 48 -10.910 -2.923 5.426 358 HA THR 48 HA THR 48 -9.091 -1.232 6.961 359 HB THR 48 HB THR 48 -8.699 -3.362 8.265 360 HG1 THR 48 HG1 THR 48 -9.918 -5.136 7.784 361 HG21 THR 48 HG21 THR 48 -10.347 -1.679 8.977 362 HG22 THR 48 HG22 THR 48 -10.856 -3.317 9.394 363 HG23 THR 48 HG23 THR 48 -11.575 -2.495 8.011 364 H TRP 49 H TRP 49 -6.991 -1.074 6.388 365 HA TRP 49 HA TRP 49 -5.902 -3.148 4.616 366 HB2 TRP 49 HB2 TRP 49 -5.864 -0.334 4.421 367 HB3 TRP 49 HB3 TRP 49 -4.221 -0.802 4.835 368 HD1 TRP 49 HD1 TRP 49 -2.742 -1.402 2.835 369 HE1 TRP 49 HE1 TRP 49 -3.129 -2.079 0.380 370 HE3 TRP 49 HE3 TRP 49 -7.841 -1.728 2.879 371 HZ2 TRP 49 HZ2 TRP 49 -5.309 -2.689 -1.304 372 HZ3 TRP 49 HZ3 TRP 49 -9.000 -2.358 0.804 373 HH2 TRP 49 HH2 TRP 49 -7.763 -2.826 -1.248 374 H THR 50 H THR 50 -5.005 -4.636 5.939 375 HA THR 50 HA THR 50 -3.312 -3.707 8.157 376 HB THR 50 HB THR 50 -4.133 -6.562 7.705 377 HG1 THR 50 HG1 THR 50 -6.024 -5.197 7.703 378 HG21 THR 50 HG21 THR 50 -3.839 -6.742 10.099 379 HG22 THR 50 HG22 THR 50 -3.585 -5.003 10.236 380 HG23 THR 50 HG23 THR 50 -2.397 -6.002 9.400 381 H GLN 51 H GLN 51 -1.187 -3.689 7.819 382 HA GLN 51 HA GLN 51 -0.053 -5.474 5.769 383 HB2 GLN 51 HB2 GLN 51 0.728 -2.793 6.837 384 HB3 GLN 51 HB3 GLN 51 1.984 -3.854 6.226 385 HG2 GLN 51 HG2 GLN 51 1.382 -2.407 4.462 386 HG3 GLN 51 HG3 GLN 51 0.705 -3.987 4.082 387 HE21 GLN 51 HE21 GLN 51 -1.431 -4.199 3.817 388 HE22 GLN 51 HE22 GLN 51 -2.565 -2.905 3.966 389 H HIS 52 H HIS 52 0.951 -7.222 6.511 390 HA HIS 52 HA HIS 52 2.005 -7.174 9.248 391 HB2 HIS 52 HB2 HIS 52 1.379 -9.514 7.440 392 HB3 HIS 52 HB3 HIS 52 2.063 -9.654 9.056 393 HD2 HIS 52 HD2 HIS 52 -1.282 -9.587 7.352 394 HE1 HIS 52 HE1 HIS 52 -1.992 -8.713 11.427 395 HE2 HIS 52 HE2 HIS 52 -3.019 -9.576 9.276 396 H PHE 53 H PHE 53 4.061 -7.236 9.665 397 HA PHE 53 HA PHE 53 5.888 -7.661 7.407 398 HB2 PHE 53 HB2 PHE 53 5.732 -5.386 8.653 399 HB3 PHE 53 HB3 PHE 53 6.611 -6.210 9.937 400 HD1 PHE 53 HD1 PHE 53 7.026 -6.689 6.307 401 HD2 PHE 53 HD2 PHE 53 8.638 -5.073 9.880 402 HE1 PHE 53 HE1 PHE 53 9.160 -6.268 5.150 403 HE2 PHE 53 HE2 PHE 53 10.774 -4.650 8.740 404 HZ PHE 53 HZ PHE 53 11.032 -5.247 6.370 405 HA PRO 54 HA PRO 54 6.986 -11.375 9.637 406 HB2 PRO 54 HB2 PRO 54 9.120 -12.029 8.030 407 HB3 PRO 54 HB3 PRO 54 7.431 -12.360 7.593 408 HG2 PRO 54 HG2 PRO 54 9.193 -10.117 6.733 409 HG3 PRO 54 HG3 PRO 54 8.052 -11.087 5.777 410 HD2 PRO 54 HD2 PRO 54 7.425 -8.627 6.639 411 HD3 PRO 54 HD3 PRO 54 6.213 -9.923 6.539 412 H GLY 55 H GLY 55 7.907 -11.057 11.550 413 HA2 GLY 55 HA2 GLY 55 9.500 -10.661 13.144 414 HA3 GLY 55 HA3 GLY 55 10.693 -10.767 11.859 415 H GLY 56 H GLY 56 8.069 -8.419 11.883 416 HA2 GLY 56 HA2 GLY 56 9.915 -6.333 12.759 417 HA3 GLY 56 HA3 GLY 56 9.275 -6.204 11.132 418 H ARG 57 H ARG 57 8.487 -4.134 11.969 419 HA ARG 57 HA ARG 57 6.367 -4.127 13.902 420 HB2 ARG 57 HB2 ARG 57 6.230 -1.738 13.477 421 HB3 ARG 57 HB3 ARG 57 7.910 -2.214 13.670 422 HG2 ARG 57 HG2 ARG 57 8.271 -1.042 11.811 423 HG3 ARG 57 HG3 ARG 57 7.549 -2.405 10.956 424 HD2 ARG 57 HD2 ARG 57 6.376 -0.547 10.160 425 HD3 ARG 57 HD3 ARG 57 5.310 -1.243 11.381 426 HE ARG 57 HE ARG 57 7.074 0.828 12.354 427 HH11 ARG 57 HH11 ARG 57 3.939 0.111 10.903 428 HH12 ARG 57 HH12 ARG 57 3.179 1.618 11.562 429 HH21 ARG 57 HH21 ARG 57 6.139 2.724 13.185 430 HH22 ARG 57 HH22 ARG 57 4.395 3.055 12.832 431 H THR 58 H THR 58 4.186 -3.727 13.560 432 HA THR 58 HA THR 58 3.254 -4.411 10.857 433 HB THR 58 HB THR 58 2.615 -5.866 12.825 434 HG1 THR 58 HG1 THR 58 1.411 -5.873 10.861 435 HG21 THR 58 HG21 THR 58 0.949 -3.441 13.482 436 HG22 THR 58 HG22 THR 58 2.161 -4.214 14.503 437 HG23 THR 58 HG23 THR 58 0.652 -5.049 14.140 438 H THR 59 H THR 59 1.259 -3.381 10.111 439 HA THR 59 HA THR 59 0.678 -0.752 11.248 440 HB THR 59 HB THR 59 1.057 -0.856 8.285 441 HG1 THR 59 HG1 THR 59 2.981 -1.785 9.284 442 HG21 THR 59 HG21 THR 59 1.287 1.212 10.453 443 HG22 THR 59 HG22 THR 59 0.233 1.205 9.038 444 HG23 THR 59 HG23 THR 59 1.963 1.485 8.848 445 H THR 60 H THR 60 -1.483 -0.329 11.137 446 HA THR 60 HA THR 60 -3.102 -1.768 9.160 447 HB THR 60 HB THR 60 -4.031 -1.475 12.014 448 HG1 THR 60 HG1 THR 60 -2.420 -3.498 10.850 449 HG21 THR 60 HG21 THR 60 -5.765 -1.932 10.386 450 HG22 THR 60 HG22 THR 60 -5.486 -3.376 11.361 451 HG23 THR 60 HG23 THR 60 -4.836 -3.281 9.722 452 H ASN 61 H ASN 61 -4.195 -0.309 8.031 453 HA ASN 61 HA ASN 61 -5.257 2.054 9.435 454 HB2 ASN 61 HB2 ASN 61 -4.233 2.138 6.595 455 HB3 ASN 61 HB3 ASN 61 -4.737 3.495 7.596 456 HD21 ASN 61 HD21 ASN 61 -2.176 1.438 6.674 457 HD22 ASN 61 HD22 ASN 61 -0.955 2.149 7.673 458 H SER 62 H SER 62 -7.332 2.308 9.215 459 HA SER 62 HA SER 62 -8.723 0.846 7.080 460 HB2 SER 62 HB2 SER 62 -9.701 1.764 9.785 461 HB3 SER 62 HB3 SER 62 -10.661 0.859 8.614 462 HG SER 62 HG SER 62 -9.087 -0.107 10.472 463 H PHE 63 H PHE 63 -9.954 1.995 5.653 464 HA PHE 63 HA PHE 63 -10.365 4.849 6.235 465 HB2 PHE 63 HB2 PHE 63 -9.741 5.382 3.897 466 HB3 PHE 63 HB3 PHE 63 -8.402 4.685 4.811 467 HD1 PHE 63 HD1 PHE 63 -7.672 2.379 4.386 468 HD2 PHE 63 HD2 PHE 63 -10.696 4.235 2.032 469 HE1 PHE 63 HE1 PHE 63 -7.418 0.625 2.685 470 HE2 PHE 63 HE2 PHE 63 -10.454 2.478 0.333 471 HZ PHE 63 HZ PHE 63 -8.810 0.672 0.651 472 H THR 64 H THR 64 -12.178 5.775 5.388 473 HA THR 64 HA THR 64 -14.122 3.924 4.197 474 HB THR 64 HB THR 64 -14.537 6.484 5.753 475 HG1 THR 64 HG1 THR 64 -14.221 3.972 6.534 476 HG21 THR 64 HG21 THR 64 -16.325 6.545 4.280 477 HG22 THR 64 HG22 THR 64 -16.994 5.630 5.635 478 HG23 THR 64 HG23 THR 64 -16.443 4.786 4.186 479 H ILE 65 H ILE 65 -14.730 4.249 2.140 480 HA ILE 65 HA ILE 65 -13.536 6.105 0.461 481 HB ILE 65 HB ILE 65 -16.247 4.827 0.064 482 HG12 ILE 65 HG12 ILE 65 -14.541 3.145 0.561 483 HG13 ILE 65 HG13 ILE 65 -15.020 3.058 -1.125 484 HG21 ILE 65 HG21 ILE 65 -14.300 5.695 -2.050 485 HG22 ILE 65 HG22 ILE 65 -15.586 6.739 -1.451 486 HG23 ILE 65 HG23 ILE 65 -15.985 5.217 -2.245 487 HD11 ILE 65 HD11 ILE 65 -12.992 4.206 -1.787 488 HD12 ILE 65 HD12 ILE 65 -12.608 2.783 -0.817 489 HD13 ILE 65 HD13 ILE 65 -12.529 4.387 -0.096 490 H ASP 66 H ASP 66 -13.791 8.155 0.085 491 HA ASP 66 HA ASP 66 -14.610 10.255 -0.089 492 HB2 ASP 66 HB2 ASP 66 -16.781 9.027 -0.796 493 HB3 ASP 66 HB3 ASP 66 -17.336 9.367 0.839 494 H LYS 67 H LYS 67 -13.683 8.888 2.394 495 HA LYS 67 HA LYS 67 -14.447 11.010 4.268 496 HB2 LYS 67 HB2 LYS 67 -15.758 9.221 5.040 497 HB3 LYS 67 HB3 LYS 67 -14.488 8.054 4.724 498 HG2 LYS 67 HG2 LYS 67 -14.702 8.342 7.080 499 HG3 LYS 67 HG3 LYS 67 -13.170 9.044 6.569 500 HD2 LYS 67 HD2 LYS 67 -14.349 11.271 6.521 501 HD3 LYS 67 HD3 LYS 67 -15.715 10.475 7.304 502 HE2 LYS 67 HE2 LYS 67 -12.932 10.352 8.430 503 HE3 LYS 67 HE3 LYS 67 -14.031 11.681 8.807 504 HZ1 LYS 67 HZ1 LYS 67 -14.031 9.832 10.447 505 HZ2 LYS 67 HZ2 LYS 67 -14.687 8.822 9.263 506 HZ3 LYS 67 HZ3 LYS 67 -15.555 10.169 9.796 507 H GLU 68 H GLU 68 -12.759 11.791 5.501 508 HA GLU 68 HA GLU 68 -10.107 11.063 4.695 509 HB2 GLU 68 HB2 GLU 68 -10.513 13.382 5.223 510 HB3 GLU 68 HB3 GLU 68 -11.109 12.966 6.823 511 HG2 GLU 68 HG2 GLU 68 -8.931 12.274 7.528 512 HG3 GLU 68 HG3 GLU 68 -8.288 12.464 5.900 513 H ALA 69 H ALA 69 -8.898 9.515 5.542 514 HA ALA 69 HA ALA 69 -9.687 8.419 8.157 515 HB1 ALA 69 HB1 ALA 69 -9.968 6.858 6.292 516 HB2 ALA 69 HB2 ALA 69 -8.739 6.302 7.427 517 HB3 ALA 69 HB3 ALA 69 -8.258 7.029 5.894 518 H ASP 70 H ASP 70 -7.973 7.562 9.489 519 HA ASP 70 HA ASP 70 -5.605 9.265 9.406 520 HB2 ASP 70 HB2 ASP 70 -6.606 7.340 11.524 521 HB3 ASP 70 HB3 ASP 70 -5.168 8.344 11.675 522 H MET 71 H MET 71 -3.807 8.514 8.481 523 HA MET 71 HA MET 71 -3.487 5.595 8.370 524 HB2 MET 71 HB2 MET 71 -2.549 7.547 6.282 525 HB3 MET 71 HB3 MET 71 -2.483 5.791 6.203 526 HG2 MET 71 HG2 MET 71 -4.677 5.590 5.721 527 HG3 MET 71 HG3 MET 71 -5.125 7.038 6.618 528 HE1 MET 71 HE1 MET 71 -6.669 6.769 4.075 529 HE2 MET 71 HE2 MET 71 -6.439 8.392 3.419 530 HE3 MET 71 HE3 MET 71 -6.608 8.154 5.162 531 H GLU 72 H GLU 72 -1.308 4.853 8.114 532 HA GLU 72 HA GLU 72 0.861 6.631 8.843 533 HB2 GLU 72 HB2 GLU 72 0.277 5.974 11.049 534 HB3 GLU 72 HB3 GLU 72 -0.110 4.332 10.551 535 HG2 GLU 72 HG2 GLU 72 2.297 3.979 10.075 536 HG3 GLU 72 HG3 GLU 72 2.624 5.568 10.751 537 H THR 73 H THR 73 2.812 5.864 8.067 538 HA THR 73 HA THR 73 2.599 3.542 6.296 539 HB THR 73 HB THR 73 4.537 4.346 5.162 540 HG1 THR 73 HG1 THR 73 5.960 5.663 6.074 541 HG21 THR 73 HG21 THR 73 3.387 7.005 5.642 542 HG22 THR 73 HG22 THR 73 2.212 5.754 5.251 543 HG23 THR 73 HG23 THR 73 3.537 6.095 4.143 544 H MET 74 H MET 74 4.833 2.358 6.113 545 HA MET 74 HA MET 74 5.343 1.240 8.698 546 HB2 MET 74 HB2 MET 74 6.324 0.722 5.925 547 HB3 MET 74 HB3 MET 74 7.279 0.122 7.270 548 HG2 MET 74 HG2 MET 74 5.318 -1.104 8.092 549 HG3 MET 74 HG3 MET 74 4.407 -0.543 6.690 550 HE1 MET 74 HE1 MET 74 3.886 -3.225 6.349 551 HE2 MET 74 HE2 MET 74 4.969 -3.627 7.680 552 HE3 MET 74 HE3 MET 74 5.164 -4.416 6.115 553 H GLY 75 H GLY 75 6.492 3.897 6.994 554 HA2 GLY 75 HA2 GLY 75 9.154 3.930 8.105 555 HA3 GLY 75 HA3 GLY 75 8.387 5.207 7.167 556 H GLY 76 H GLY 76 6.075 4.623 9.254 557 HA2 GLY 76 HA2 GLY 76 5.606 5.257 11.468 558 HA3 GLY 76 HA3 GLY 76 7.197 5.993 11.576 559 H ARG 77 H ARG 77 5.288 6.722 8.800 560 HA ARG 77 HA ARG 77 5.181 9.496 9.581 561 HB2 ARG 77 HB2 ARG 77 3.957 8.250 7.129 562 HB3 ARG 77 HB3 ARG 77 4.406 9.931 7.364 563 HG2 ARG 77 HG2 ARG 77 6.714 9.399 7.286 564 HG3 ARG 77 HG3 ARG 77 6.379 7.667 7.322 565 HD2 ARG 77 HD2 ARG 77 6.612 7.848 5.099 566 HD3 ARG 77 HD3 ARG 77 4.941 8.391 5.169 567 HE ARG 77 HE ARG 77 5.851 10.695 5.194 568 HH11 ARG 77 HH11 ARG 77 7.831 8.060 3.971 569 HH12 ARG 77 HH12 ARG 77 8.762 9.133 2.864 570 HH21 ARG 77 HH21 ARG 77 7.023 12.088 3.822 571 HH22 ARG 77 HH22 ARG 77 8.310 11.379 2.775 572 H LYS 78 H LYS 78 3.530 10.455 10.592 573 HA LYS 78 HA LYS 78 0.963 9.039 10.765 574 HB2 LYS 78 HB2 LYS 78 1.679 11.541 12.272 575 HB3 LYS 78 HB3 LYS 78 0.512 10.301 12.708 576 HG2 LYS 78 HG2 LYS 78 3.462 9.768 12.596 577 HG3 LYS 78 HG3 LYS 78 2.668 10.398 14.041 578 HD2 LYS 78 HD2 LYS 78 1.272 8.450 14.188 579 HD3 LYS 78 HD3 LYS 78 1.869 7.849 12.640 580 HE2 LYS 78 HE2 LYS 78 3.997 7.371 13.527 581 HE3 LYS 78 HE3 LYS 78 3.710 8.352 14.963 582 HZ1 LYS 78 HZ1 LYS 78 3.557 6.025 15.513 583 HZ2 LYS 78 HZ2 LYS 78 2.396 5.762 14.306 584 HZ3 LYS 78 HZ3 LYS 78 2.023 6.722 15.651 585 H PHE 79 H PHE 79 -0.701 9.707 9.477 586 HA PHE 79 HA PHE 79 -1.058 12.513 8.911 587 HB2 PHE 79 HB2 PHE 79 -0.856 12.301 6.461 588 HB3 PHE 79 HB3 PHE 79 0.663 11.934 7.275 589 HD1 PHE 79 HD1 PHE 79 1.472 9.642 7.437 590 HD2 PHE 79 HD2 PHE 79 -2.023 10.614 5.215 591 HE1 PHE 79 HE1 PHE 79 1.584 7.459 6.329 592 HE2 PHE 79 HE2 PHE 79 -1.922 8.424 4.096 593 HZ PHE 79 HZ PHE 79 -0.118 6.838 4.655 594 H LYS 80 H LYS 80 -2.857 12.805 7.228 595 HA LYS 80 HA LYS 80 -4.842 10.643 7.340 596 HB2 LYS 80 HB2 LYS 80 -5.330 13.551 8.011 597 HB3 LYS 80 HB3 LYS 80 -6.604 12.372 7.747 598 HG2 LYS 80 HG2 LYS 80 -6.503 11.774 9.874 599 HG3 LYS 80 HG3 LYS 80 -4.814 11.309 9.665 600 HD2 LYS 80 HD2 LYS 80 -4.524 12.884 11.269 601 HD3 LYS 80 HD3 LYS 80 -4.473 13.943 9.860 602 HE2 LYS 80 HE2 LYS 80 -7.096 13.368 11.176 603 HE3 LYS 80 HE3 LYS 80 -5.991 14.519 11.919 604 HZ1 LYS 80 HZ1 LYS 80 -7.342 14.695 9.294 605 HZ2 LYS 80 HZ2 LYS 80 -5.943 15.598 9.616 606 HZ3 LYS 80 HZ3 LYS 80 -7.324 15.813 10.564 607 H ALA 81 H ALA 81 -6.258 10.589 5.555 608 HA ALA 81 HA ALA 81 -6.019 12.625 3.504 609 HB1 ALA 81 HB1 ALA 81 -5.041 9.815 3.040 610 HB2 ALA 81 HB2 ALA 81 -4.096 11.301 2.964 611 HB3 ALA 81 HB3 ALA 81 -5.348 10.987 1.760 612 H THR 82 H THR 82 -7.502 12.306 1.723 613 HA THR 82 HA THR 82 -9.901 10.843 2.572 614 HB THR 82 HB THR 82 -9.958 12.614 0.173 615 HG1 THR 82 HG1 THR 82 -9.168 13.456 2.685 616 HG21 THR 82 HG21 THR 82 -11.801 12.140 2.519 617 HG22 THR 82 HG22 THR 82 -11.986 11.506 0.884 618 HG23 THR 82 HG23 THR 82 -12.145 13.237 1.180 619 H VAL 83 H VAL 83 -10.418 8.984 1.603 620 HA VAL 83 HA VAL 83 -9.077 8.338 -0.935 621 HB VAL 83 HB VAL 83 -10.214 6.451 1.135 622 HG11 VAL 83 HG11 VAL 83 -10.340 5.487 -1.065 623 HG12 VAL 83 HG12 VAL 83 -9.018 4.724 -0.178 624 HG13 VAL 83 HG13 VAL 83 -8.668 5.943 -1.404 625 HG21 VAL 83 HG21 VAL 83 -7.920 5.916 1.689 626 HG22 VAL 83 HG22 VAL 83 -8.198 7.647 1.899 627 HG23 VAL 83 HG23 VAL 83 -7.333 7.056 0.479 628 H LYS 84 H LYS 84 -10.275 7.714 -2.676 629 HA LYS 84 HA LYS 84 -13.192 7.505 -2.302 630 HB2 LYS 84 HB2 LYS 84 -13.445 8.671 -4.507 631 HB3 LYS 84 HB3 LYS 84 -12.822 9.693 -3.219 632 HG2 LYS 84 HG2 LYS 84 -10.497 8.985 -4.172 633 HG3 LYS 84 HG3 LYS 84 -11.431 8.615 -5.619 634 HD2 LYS 84 HD2 LYS 84 -12.143 10.856 -5.860 635 HD3 LYS 84 HD3 LYS 84 -11.600 11.278 -4.233 636 HE2 LYS 84 HE2 LYS 84 -9.257 10.539 -5.152 637 HE3 LYS 84 HE3 LYS 84 -10.000 10.837 -6.720 638 HZ1 LYS 84 HZ1 LYS 84 -10.617 13.098 -5.760 639 HZ2 LYS 84 HZ2 LYS 84 -8.989 12.853 -6.136 640 HZ3 LYS 84 HZ3 LYS 84 -9.506 12.770 -4.527 641 H MET 85 H MET 85 -14.084 6.691 -4.645 642 HA MET 85 HA MET 85 -12.341 4.482 -5.480 643 HB2 MET 85 HB2 MET 85 -14.821 4.289 -4.065 644 HB3 MET 85 HB3 MET 85 -15.035 3.629 -5.675 645 HG2 MET 85 HG2 MET 85 -13.120 2.146 -5.311 646 HG3 MET 85 HG3 MET 85 -12.957 2.792 -3.675 647 HE1 MET 85 HE1 MET 85 -13.336 0.861 -2.128 648 HE2 MET 85 HE2 MET 85 -13.033 -0.122 -3.562 649 HE3 MET 85 HE3 MET 85 -14.388 -0.506 -2.498 650 H GLU 86 H GLU 86 -12.170 4.243 -7.634 651 HA GLU 86 HA GLU 86 -14.135 5.681 -9.290 652 HB2 GLU 86 HB2 GLU 86 -12.213 5.796 -10.991 653 HB3 GLU 86 HB3 GLU 86 -12.169 6.890 -9.617 654 HG2 GLU 86 HG2 GLU 86 -10.285 6.008 -8.828 655 HG3 GLU 86 HG3 GLU 86 -10.809 4.356 -9.139 656 H GLY 87 H GLY 87 -15.477 3.956 -9.658 657 HA2 GLY 87 HA2 GLY 87 -16.267 2.132 -10.800 658 HA3 GLY 87 HA3 GLY 87 -14.886 2.320 -11.866 659 H GLY 88 H GLY 88 -15.270 1.344 -8.437 660 HA2 GLY 88 HA2 GLY 88 -14.695 -0.640 -7.400 661 HA3 GLY 88 HA3 GLY 88 -14.436 -1.348 -8.984 662 H LYS 89 H LYS 89 -12.733 1.548 -8.325 663 HA LYS 89 HA LYS 89 -10.303 0.030 -7.641 664 HB2 LYS 89 HB2 LYS 89 -10.334 2.456 -9.426 665 HB3 LYS 89 HB3 LYS 89 -8.983 1.379 -9.114 666 HG2 LYS 89 HG2 LYS 89 -9.899 -0.294 -10.458 667 HG3 LYS 89 HG3 LYS 89 -11.494 0.450 -10.424 668 HD2 LYS 89 HD2 LYS 89 -10.787 1.027 -12.533 669 HD3 LYS 89 HD3 LYS 89 -10.282 2.433 -11.602 670 HE2 LYS 89 HE2 LYS 89 -8.405 0.143 -12.005 671 HE3 LYS 89 HE3 LYS 89 -8.630 1.331 -13.281 672 HZ1 LYS 89 HZ1 LYS 89 -7.094 1.525 -10.919 673 HZ2 LYS 89 HZ2 LYS 89 -8.247 2.778 -10.963 674 HZ3 LYS 89 HZ3 LYS 89 -7.160 2.579 -12.246 675 H ILE 90 H ILE 90 -9.639 0.650 -5.688 676 HA ILE 90 HA ILE 90 -10.602 3.056 -4.469 677 HB ILE 90 HB ILE 90 -8.369 1.317 -3.424 678 HG12 ILE 90 HG12 ILE 90 -11.337 0.919 -3.418 679 HG13 ILE 90 HG13 ILE 90 -10.062 -0.259 -3.689 680 HG21 ILE 90 HG21 ILE 90 -9.079 2.177 -1.260 681 HG22 ILE 90 HG22 ILE 90 -10.361 3.104 -2.042 682 HG23 ILE 90 HG23 ILE 90 -8.670 3.501 -2.354 683 HD11 ILE 90 HD11 ILE 90 -9.481 -0.052 -1.258 684 HD12 ILE 90 HD12 ILE 90 -11.060 -0.758 -1.595 685 HD13 ILE 90 HD13 ILE 90 -10.942 0.923 -1.062 686 H VAL 91 H VAL 91 -9.794 5.010 -4.829 687 HA VAL 91 HA VAL 91 -6.941 5.237 -5.504 688 HB VAL 91 HB VAL 91 -8.217 5.861 -7.422 689 HG11 VAL 91 HG11 VAL 91 -9.893 7.734 -7.280 690 HG12 VAL 91 HG12 VAL 91 -9.850 7.509 -5.533 691 HG13 VAL 91 HG13 VAL 91 -10.382 6.194 -6.577 692 HG21 VAL 91 HG21 VAL 91 -7.707 8.306 -7.639 693 HG22 VAL 91 HG22 VAL 91 -6.349 7.312 -7.109 694 HG23 VAL 91 HG23 VAL 91 -7.235 8.289 -5.939 695 H ALA 92 H ALA 92 -5.711 6.422 -4.223 696 HA ALA 92 HA ALA 92 -7.021 8.195 -2.265 697 HB1 ALA 92 HB1 ALA 92 -5.252 7.737 -0.734 698 HB2 ALA 92 HB2 ALA 92 -4.346 6.849 -1.960 699 HB3 ALA 92 HB3 ALA 92 -5.856 6.192 -1.333 700 H ASP 93 H ASP 93 -6.306 10.270 -2.099 701 HA ASP 93 HA ASP 93 -4.390 11.137 -4.147 702 HB2 ASP 93 HB2 ASP 93 -6.488 12.204 -4.443 703 HB3 ASP 93 HB3 ASP 93 -6.628 12.557 -2.724 704 H PHE 94 H PHE 94 -2.462 11.789 -3.568 705 HA PHE 94 HA PHE 94 -2.039 12.985 -0.923 706 HB2 PHE 94 HB2 PHE 94 -0.484 10.693 -2.132 707 HB3 PHE 94 HB3 PHE 94 0.133 11.667 -0.803 708 HD1 PHE 94 HD1 PHE 94 -0.947 11.572 1.394 709 HD2 PHE 94 HD2 PHE 94 -2.167 9.055 -1.809 710 HE1 PHE 94 HE1 PHE 94 -2.147 10.127 2.987 711 HE2 PHE 94 HE2 PHE 94 -3.359 7.611 -0.217 712 HZ PHE 94 HZ PHE 94 -3.344 8.142 2.181 713 HA PRO 95 HA PRO 95 0.365 15.979 -3.096 714 HB2 PRO 95 HB2 PRO 95 2.502 16.312 -1.376 715 HB3 PRO 95 HB3 PRO 95 0.913 17.061 -1.159 716 HG2 PRO 95 HG2 PRO 95 2.051 14.658 0.154 717 HG3 PRO 95 HG3 PRO 95 1.008 15.925 0.819 718 HD2 PRO 95 HD2 PRO 95 0.061 13.498 0.134 719 HD3 PRO 95 HD3 PRO 95 -0.917 14.971 -0.010 720 H ASN 96 H ASN 96 1.311 15.336 -4.908 721 HA ASN 96 HA ASN 96 2.751 14.467 -6.416 722 HB2 ASN 96 HB2 ASN 96 4.402 15.304 -4.159 723 HB3 ASN 96 HB3 ASN 96 5.146 14.027 -5.115 724 HD21 ASN 96 HD21 ASN 96 6.736 15.375 -5.913 725 HD22 ASN 96 HD22 ASN 96 6.402 16.619 -7.068 726 H TYR 97 H TYR 97 1.223 12.700 -4.521 727 HA TYR 97 HA TYR 97 2.573 10.183 -5.240 728 HB2 TYR 97 HB2 TYR 97 3.029 10.927 -2.815 729 HB3 TYR 97 HB3 TYR 97 1.332 10.589 -2.521 730 HD1 TYR 97 HD1 TYR 97 0.593 8.150 -3.420 731 HD2 TYR 97 HD2 TYR 97 4.527 9.296 -2.293 732 HE1 TYR 97 HE1 TYR 97 1.148 5.798 -2.994 733 HE2 TYR 97 HE2 TYR 97 5.094 6.948 -1.859 734 HH TYR 97 HH TYR 97 4.140 4.864 -1.480 735 H HIS 98 H HIS 98 1.205 8.899 -6.244 736 HA HIS 98 HA HIS 98 -1.674 9.206 -5.712 737 HB2 HIS 98 HB2 HIS 98 -0.722 10.069 -7.967 738 HB3 HIS 98 HB3 HIS 98 -0.601 8.364 -8.386 739 HD1 HIS 98 HD1 HIS 98 -3.226 10.847 -7.226 740 HD2 HIS 98 HD2 HIS 98 -2.889 7.322 -9.401 741 HE1 HIS 98 HE1 HIS 98 -5.521 10.397 -8.135 742 HE2 HIS 98 HE2 HIS 98 -5.231 8.399 -9.643 743 H HIS 99 H HIS 99 -2.563 7.408 -4.926 744 HA HIS 99 HA HIS 99 -1.290 4.828 -5.570 745 HB2 HIS 99 HB2 HIS 99 -0.995 5.667 -3.189 746 HB3 HIS 99 HB3 HIS 99 -2.731 5.466 -2.996 747 HD2 HIS 99 HD2 HIS 99 -3.635 2.753 -3.133 748 HE1 HIS 99 HE1 HIS 99 0.234 1.216 -2.359 749 HE2 HIS 99 HE2 HIS 99 -2.241 0.683 -2.382 750 H THR 100 H THR 100 -2.561 3.510 -6.670 751 HA THR 100 HA THR 100 -5.468 3.618 -6.209 752 HB THR 100 HB THR 100 -5.741 2.971 -8.638 753 HG1 THR 100 HG1 THR 100 -3.628 2.358 -9.135 754 HG21 THR 100 HG21 THR 100 -6.233 5.230 -7.901 755 HG22 THR 100 HG22 THR 100 -5.443 5.280 -9.477 756 HG23 THR 100 HG23 THR 100 -4.527 5.665 -8.019 757 H ALA 101 H ALA 101 -6.397 1.711 -5.794 758 HA ALA 101 HA ALA 101 -4.791 -0.724 -6.220 759 HB1 ALA 101 HB1 ALA 101 -5.804 -1.684 -4.275 760 HB2 ALA 101 HB2 ALA 101 -6.934 -0.338 -4.132 761 HB3 ALA 101 HB3 ALA 101 -5.216 -0.080 -3.835 762 H GLU 102 H GLU 102 -5.712 -2.448 -7.257 763 HA GLU 102 HA GLU 102 -8.546 -2.542 -7.781 764 HB2 GLU 102 HB2 GLU 102 -8.285 -2.515 -10.247 765 HB3 GLU 102 HB3 GLU 102 -7.908 -0.973 -9.496 766 HG2 GLU 102 HG2 GLU 102 -5.455 -1.934 -9.548 767 HG3 GLU 102 HG3 GLU 102 -6.126 -2.903 -10.860 768 H ILE 103 H ILE 103 -8.938 -4.392 -9.480 769 HA ILE 103 HA ILE 103 -7.153 -6.613 -8.751 770 HB ILE 103 HB ILE 103 -10.119 -6.706 -9.332 771 HG12 ILE 103 HG12 ILE 103 -9.525 -5.777 -7.104 772 HG13 ILE 103 HG13 ILE 103 -10.396 -7.300 -6.996 773 HG21 ILE 103 HG21 ILE 103 -9.943 -9.093 -8.689 774 HG22 ILE 103 HG22 ILE 103 -8.190 -8.921 -8.647 775 HG23 ILE 103 HG23 ILE 103 -9.061 -8.706 -10.164 776 HD11 ILE 103 HD11 ILE 103 -8.333 -8.477 -6.533 777 HD12 ILE 103 HD12 ILE 103 -8.577 -7.161 -5.388 778 HD13 ILE 103 HD13 ILE 103 -7.419 -6.978 -6.703 779 H SER 104 H SER 104 -5.968 -7.221 -10.436 780 HA SER 104 HA SER 104 -6.944 -6.698 -13.134 781 HB2 SER 104 HB2 SER 104 -4.549 -7.509 -13.688 782 HB3 SER 104 HB3 SER 104 -4.749 -5.952 -12.883 783 HG SER 104 HG SER 104 -3.160 -7.630 -12.043 784 H GLY 105 H GLY 105 -8.602 -8.349 -12.999 785 HA2 GLY 105 HA2 GLY 105 -9.272 -10.387 -13.933 786 HA3 GLY 105 HA3 GLY 105 -7.595 -10.920 -13.924 787 H GLY 106 H GLY 106 -6.703 -11.069 -11.566 788 HA2 GLY 106 HA2 GLY 106 -8.638 -11.901 -9.594 789 HA3 GLY 106 HA3 GLY 106 -7.722 -13.229 -10.292 790 H LYS 107 H LYS 107 -6.231 -10.131 -10.015 791 HA LYS 107 HA LYS 107 -4.822 -10.953 -7.584 792 HB2 LYS 107 HB2 LYS 107 -3.655 -10.474 -10.272 793 HB3 LYS 107 HB3 LYS 107 -2.789 -9.800 -8.906 794 HG2 LYS 107 HG2 LYS 107 -2.272 -11.860 -8.029 795 HG3 LYS 107 HG3 LYS 107 -3.623 -12.662 -8.831 796 HD2 LYS 107 HD2 LYS 107 -2.499 -12.852 -10.828 797 HD3 LYS 107 HD3 LYS 107 -1.474 -11.452 -10.503 798 HE2 LYS 107 HE2 LYS 107 -0.083 -13.371 -10.362 799 HE3 LYS 107 HE3 LYS 107 -0.360 -12.811 -8.714 800 HZ1 LYS 107 HZ1 LYS 107 -1.403 -15.210 -10.057 801 HZ2 LYS 107 HZ2 LYS 107 -2.265 -14.535 -8.774 802 HZ3 LYS 107 HZ3 LYS 107 -0.673 -15.061 -8.538 803 H LEU 108 H LEU 108 -3.903 -9.253 -6.405 804 HA LEU 108 HA LEU 108 -5.264 -6.707 -6.802 805 HB2 LEU 108 HB2 LEU 108 -5.303 -7.849 -4.600 806 HB3 LEU 108 HB3 LEU 108 -3.562 -7.733 -4.523 807 HG LEU 108 HG LEU 108 -4.974 -6.080 -3.157 808 HD11 LEU 108 HD11 LEU 108 -2.550 -5.938 -3.473 809 HD12 LEU 108 HD12 LEU 108 -3.325 -4.357 -3.359 810 HD13 LEU 108 HD13 LEU 108 -2.816 -4.979 -4.932 811 HD21 LEU 108 HD21 LEU 108 -5.183 -4.786 -5.866 812 HD22 LEU 108 HD22 LEU 108 -5.580 -4.019 -4.331 813 HD23 LEU 108 HD23 LEU 108 -6.518 -5.402 -4.893 814 H VAL 109 H VAL 109 -4.254 -5.082 -7.777 815 HA VAL 109 HA VAL 109 -1.323 -4.971 -7.599 816 HB VAL 109 HB VAL 109 -1.743 -5.691 -9.830 817 HG11 VAL 109 HG11 VAL 109 -4.104 -5.175 -9.989 818 HG12 VAL 109 HG12 VAL 109 -3.239 -4.514 -11.375 819 HG13 VAL 109 HG13 VAL 109 -3.745 -3.449 -10.062 820 HG21 VAL 109 HG21 VAL 109 -0.058 -3.930 -9.587 821 HG22 VAL 109 HG22 VAL 109 -1.293 -2.707 -9.888 822 HG23 VAL 109 HG23 VAL 109 -0.855 -3.849 -11.159 823 H GLU 110 H GLU 110 -0.644 -3.212 -6.673 824 HA GLU 110 HA GLU 110 -2.410 -0.864 -6.615 825 HB2 GLU 110 HB2 GLU 110 -0.232 -1.743 -4.715 826 HB3 GLU 110 HB3 GLU 110 -1.027 -0.176 -4.628 827 HG2 GLU 110 HG2 GLU 110 -3.084 -1.130 -4.047 828 HG3 GLU 110 HG3 GLU 110 -2.558 -2.749 -4.513 829 H ILE 111 H ILE 111 -1.735 1.013 -7.419 830 HA ILE 111 HA ILE 111 1.011 1.135 -8.473 831 HB ILE 111 HB ILE 111 -1.440 2.567 -9.530 832 HG12 ILE 111 HG12 ILE 111 -0.551 1.047 -11.585 833 HG13 ILE 111 HG13 ILE 111 -0.122 0.005 -10.234 834 HG21 ILE 111 HG21 ILE 111 -0.032 3.389 -11.284 835 HG22 ILE 111 HG22 ILE 111 1.335 2.443 -10.694 836 HG23 ILE 111 HG23 ILE 111 0.721 3.795 -9.740 837 HD11 ILE 111 HD11 ILE 111 -2.872 1.090 -10.779 838 HD12 ILE 111 HD12 ILE 111 -2.417 -0.021 -9.487 839 HD13 ILE 111 HD13 ILE 111 -2.308 -0.534 -11.175 840 H SER 112 H SER 112 2.296 2.647 -7.668 841 HA SER 112 HA SER 112 1.114 4.913 -6.189 842 HB2 SER 112 HB2 SER 112 3.682 3.575 -5.350 843 HB3 SER 112 HB3 SER 112 2.631 4.632 -4.410 844 HG SER 112 HG SER 112 1.140 2.991 -4.235 845 H THR 113 H THR 113 1.535 6.614 -7.394 846 HA THR 113 HA THR 113 4.070 6.785 -8.838 847 HB THR 113 HB THR 113 2.163 9.044 -8.942 848 HG1 THR 113 HG1 THR 113 1.391 6.450 -9.422 849 HG21 THR 113 HG21 THR 113 4.066 9.125 -10.362 850 HG22 THR 113 HG22 THR 113 2.690 8.756 -11.403 851 HG23 THR 113 HG23 THR 113 3.802 7.475 -10.924 852 H SER 114 H SER 114 5.707 8.114 -8.235 853 HA SER 114 HA SER 114 5.133 10.060 -6.118 854 HB2 SER 114 HB2 SER 114 7.428 9.481 -5.168 855 HB3 SER 114 HB3 SER 114 6.163 8.278 -4.928 856 HG SER 114 HG SER 114 7.017 7.121 -6.687 857 H SER 115 H SER 115 5.216 11.818 -7.388 858 HA SER 115 HA SER 115 6.088 13.544 -8.572 859 HB2 SER 115 HB2 SER 115 8.779 12.481 -7.701 860 HB3 SER 115 HB3 SER 115 8.375 14.145 -8.130 861 HG SER 115 HG SER 115 6.940 12.893 -6.075 862 H GLY 116 H GLY 116 5.624 11.036 -9.956 863 HA2 GLY 116 HA2 GLY 116 5.869 11.101 -12.415 864 HA3 GLY 116 HA3 GLY 116 7.581 11.363 -12.142 865 H VAL 117 H VAL 117 8.076 9.446 -10.181 866 HA VAL 117 HA VAL 117 8.355 7.133 -11.812 867 HB VAL 117 HB VAL 117 8.909 7.552 -8.873 868 HG11 VAL 117 HG11 VAL 117 9.694 5.185 -10.567 869 HG12 VAL 117 HG12 VAL 117 8.395 5.172 -9.376 870 HG13 VAL 117 HG13 VAL 117 10.062 5.431 -8.860 871 HG21 VAL 117 HG21 VAL 117 10.376 8.812 -10.295 872 HG22 VAL 117 HG22 VAL 117 10.667 7.402 -11.311 873 HG23 VAL 117 HG23 VAL 117 11.264 7.429 -9.651 874 H VAL 118 H VAL 118 7.026 5.527 -12.118 875 HA VAL 118 HA VAL 118 4.664 5.281 -10.413 876 HB VAL 118 HB VAL 118 5.172 4.008 -13.103 877 HG11 VAL 118 HG11 VAL 118 2.649 4.245 -11.475 878 HG12 VAL 118 HG12 VAL 118 3.578 2.770 -11.732 879 HG13 VAL 118 HG13 VAL 118 2.771 3.552 -13.093 880 HG21 VAL 118 HG21 VAL 118 3.828 5.707 -14.076 881 HG22 VAL 118 HG22 VAL 118 5.042 6.524 -13.088 882 HG23 VAL 118 HG23 VAL 118 3.393 6.349 -12.494 883 H TYR 119 H TYR 119 4.887 3.910 -8.814 884 HA TYR 119 HA TYR 119 6.484 1.476 -9.163 885 HB2 TYR 119 HB2 TYR 119 7.090 2.607 -7.176 886 HB3 TYR 119 HB3 TYR 119 5.416 2.931 -6.752 887 HD1 TYR 119 HD1 TYR 119 7.835 0.117 -7.169 888 HD2 TYR 119 HD2 TYR 119 4.319 1.545 -5.239 889 HE1 TYR 119 HE1 TYR 119 7.814 -1.883 -5.733 890 HE2 TYR 119 HE2 TYR 119 4.293 -0.444 -3.799 891 HH TYR 119 HH TYR 119 6.886 -2.841 -3.916 892 H LYS 120 H LYS 120 5.547 -0.506 -9.220 893 HA LYS 120 HA LYS 120 2.681 -0.682 -8.640 894 HB2 LYS 120 HB2 LYS 120 4.147 -1.691 -11.069 895 HB3 LYS 120 HB3 LYS 120 2.526 -2.197 -10.631 896 HG2 LYS 120 HG2 LYS 120 1.600 -0.173 -11.169 897 HG3 LYS 120 HG3 LYS 120 3.095 0.703 -10.854 898 HD2 LYS 120 HD2 LYS 120 2.744 0.757 -13.202 899 HD3 LYS 120 HD3 LYS 120 4.052 -0.391 -12.905 900 HE2 LYS 120 HE2 LYS 120 2.102 -2.129 -12.858 901 HE3 LYS 120 HE3 LYS 120 1.233 -0.884 -13.754 902 HZ1 LYS 120 HZ1 LYS 120 3.929 -1.734 -14.612 903 HZ2 LYS 120 HZ2 LYS 120 2.687 -1.026 -15.526 904 HZ3 LYS 120 HZ3 LYS 120 2.566 -2.642 -15.050 905 H ARG 121 H ARG 121 2.034 -2.548 -7.668 906 HA ARG 121 HA ARG 121 3.964 -4.741 -7.452 907 HB2 ARG 121 HB2 ARG 121 3.521 -4.988 -5.055 908 HB3 ARG 121 HB3 ARG 121 4.252 -3.433 -5.412 909 HG2 ARG 121 HG2 ARG 121 2.230 -2.283 -5.060 910 HG3 ARG 121 HG3 ARG 121 1.287 -3.777 -5.092 911 HD2 ARG 121 HD2 ARG 121 2.255 -4.497 -3.021 912 HD3 ARG 121 HD3 ARG 121 3.369 -3.128 -3.013 913 HE ARG 121 HE ARG 121 0.453 -3.009 -2.545 914 HH11 ARG 121 HH11 ARG 121 3.649 -1.519 -2.492 915 HH12 ARG 121 HH12 ARG 121 3.099 -0.119 -1.501 916 HH21 ARG 121 HH21 ARG 121 -0.281 -1.260 -1.288 917 HH22 ARG 121 HH22 ARG 121 0.909 0.011 -0.794 918 H THR 122 H THR 122 3.091 -6.708 -7.511 919 HA THR 122 HA THR 122 0.163 -6.891 -7.704 920 HB THR 122 HB THR 122 2.267 -8.643 -9.005 921 HG1 THR 122 HG1 THR 122 0.566 -6.589 -10.009 922 HG21 THR 122 HG21 THR 122 0.261 -9.912 -8.510 923 HG22 THR 122 HG22 THR 122 0.357 -9.599 -10.243 924 HG23 THR 122 HG23 THR 122 -0.745 -8.658 -9.239 925 H SER 123 H SER 123 -0.826 -8.069 -6.199 926 HA SER 123 HA SER 123 0.761 -10.052 -4.696 927 HB2 SER 123 HB2 SER 123 -1.501 -8.461 -3.496 928 HB3 SER 123 HB3 SER 123 -0.239 -9.371 -2.666 929 HG SER 123 HG SER 123 -0.239 -6.806 -3.338 930 H LYS 124 H LYS 124 -0.214 -11.971 -4.256 931 HA LYS 124 HA LYS 124 -2.551 -12.625 -5.815 932 HB2 LYS 124 HB2 LYS 124 -2.145 -14.935 -5.014 933 HB3 LYS 124 HB3 LYS 124 -0.718 -14.213 -5.749 934 HG2 LYS 124 HG2 LYS 124 0.221 -13.772 -3.558 935 HG3 LYS 124 HG3 LYS 124 -1.237 -14.408 -2.793 936 HD2 LYS 124 HD2 LYS 124 -0.733 -16.599 -3.341 937 HD3 LYS 124 HD3 LYS 124 0.277 -16.128 -4.710 938 HE2 LYS 124 HE2 LYS 124 1.057 -15.513 -1.873 939 HE3 LYS 124 HE3 LYS 124 1.452 -17.052 -2.634 940 HZ1 LYS 124 HZ1 LYS 124 3.262 -16.024 -3.383 941 HZ2 LYS 124 HZ2 LYS 124 2.678 -14.489 -2.988 942 HZ3 LYS 124 HZ3 LYS 124 2.256 -15.198 -4.469 943 H LYS 125 H LYS 125 -4.437 -13.655 -4.932 944 HA LYS 125 HA LYS 125 -5.153 -12.530 -2.313 945 HB2 LYS 125 HB2 LYS 125 -6.499 -12.244 -4.596 946 HB3 LYS 125 HB3 LYS 125 -7.206 -13.769 -4.089 947 HG2 LYS 125 HG2 LYS 125 -7.177 -11.251 -2.427 948 HG3 LYS 125 HG3 LYS 125 -8.540 -11.808 -3.399 949 HD2 LYS 125 HD2 LYS 125 -7.455 -13.797 -1.523 950 HD3 LYS 125 HD3 LYS 125 -8.163 -12.369 -0.767 951 HE2 LYS 125 HE2 LYS 125 -10.218 -12.722 -2.067 952 HE3 LYS 125 HE3 LYS 125 -9.507 -14.170 -2.780 953 HZ1 LYS 125 HZ1 LYS 125 -9.237 -14.688 -0.178 954 HZ2 LYS 125 HZ2 LYS 125 -10.581 -15.162 -1.089 955 HZ3 LYS 125 HZ3 LYS 125 -10.650 -13.760 -0.148 956 H ILE 126 H ILE 126 -5.339 -13.795 -0.637 957 HA ILE 126 HA ILE 126 -6.124 -16.588 -0.973 958 HB ILE 126 HB ILE 126 -4.091 -16.262 1.098 959 HG12 ILE 126 HG12 ILE 126 -2.271 -16.600 -0.812 960 HG13 ILE 126 HG13 ILE 126 -3.391 -15.599 -1.730 961 HG21 ILE 126 HG21 ILE 126 -4.778 -18.235 -1.027 962 HG22 ILE 126 HG22 ILE 126 -4.758 -18.429 0.729 963 HG23 ILE 126 HG23 ILE 126 -3.238 -18.347 -0.171 964 HD11 ILE 126 HD11 ILE 126 -3.210 -13.836 -0.107 965 HD12 ILE 126 HD12 ILE 126 -1.601 -14.329 -0.635 966 HD13 ILE 126 HD13 ILE 126 -2.212 -14.855 0.932 967 H ALA 127 H ALA 127 -6.629 -17.506 1.309 968 HA ALA 127 HA ALA 127 -7.534 -15.315 3.023 969 HB1 ALA 127 HB1 ALA 127 -9.640 -16.364 3.444 970 HB2 ALA 127 HB2 ALA 127 -9.194 -17.753 2.453 971 HB3 ALA 127 HB3 ALA 127 -9.439 -16.174 1.703 972 H11 CHO 200 H11 CHO 200 6.715 -0.085 -1.608 973 H12 CHO 200 H12 CHO 200 7.190 -1.225 -0.315 974 H21 CHO 200 H21 CHO 200 5.228 -0.569 1.009 975 H22 CHO 200 H22 CHO 200 4.733 -1.141 -0.607 976 H3 CHO 200 H3 CHO 200 4.544 1.199 -1.385 977 HO3 CHO 200 HO3 CHO 200 2.714 1.753 -0.054 978 H41 CHO 200 H41 CHO 200 5.243 1.884 1.506 979 H42 CHO 200 H42 CHO 200 4.770 3.046 0.242 980 H5 CHO 200 H5 CHO 200 6.730 2.371 -1.108 981 H61 CHO 200 H61 CHO 200 6.876 4.244 0.541 982 H62 CHO 200 H62 CHO 200 8.437 3.427 0.307 983 H7 CHO 200 H7 CHO 200 8.021 3.797 2.703 984 HO7 CHO 200 HO7 CHO 200 6.039 2.022 3.174 985 H8 CHO 200 H8 CHO 200 9.230 1.778 2.044 986 H9 CHO 200 H9 CHO 200 6.478 0.465 2.064 987 H111 CHO 200 H111 CHO 200 9.190 -0.773 1.514 988 H112 CHO 200 H112 CHO 200 7.589 -1.588 1.494 989 H121 CHO 200 H121 CHO 200 8.853 -2.026 3.598 990 H122 CHO 200 H122 CHO 200 7.313 -1.190 3.884 991 H14 CHO 200 H14 CHO 200 7.216 1.336 4.215 992 H151 CHO 200 H151 CHO 200 8.525 3.212 5.002 993 H152 CHO 200 H152 CHO 200 9.991 2.672 4.255 994 H161 CHO 200 H161 CHO 200 8.769 1.825 6.849 995 H162 CHO 200 H162 CHO 200 10.427 1.597 6.337 996 H17 CHO 200 H17 CHO 200 8.095 -0.290 6.043 997 H181 CHO 200 H181 CHO 200 10.758 1.259 3.570 998 H182 CHO 200 H182 CHO 200 10.510 -0.176 2.545 999 H183 CHO 200 H183 CHO 200 11.170 -0.359 4.187 1000 H191 CHO 200 H191 CHO 200 9.152 1.993 -0.452 1001 H192 CHO 200 H192 CHO 200 8.912 0.471 -1.343 1002 H193 CHO 200 H193 CHO 200 9.556 0.440 0.316 1003 H20 CHO 200 H20 CHO 200 11.035 -0.735 5.859 1004 H211 CHO 200 H211 CHO 200 9.544 -2.984 6.768 1005 H212 CHO 200 H212 CHO 200 10.488 -2.814 5.268 1006 H213 CHO 200 H213 CHO 200 8.761 -2.386 5.285 1007 H221 CHO 200 H221 CHO 200 9.073 -0.984 8.168 1008 H222 CHO 200 H222 CHO 200 10.400 0.211 8.011 1009 H231 CHO 200 H231 CHO 200 12.032 -1.665 7.955 1010 H232 CHO 200 H232 CHO 200 10.682 -2.800 8.252 1011 HN CHO 200 HN CHO 200 11.959 -3.410 10.206 1012 H261 CHO 200 H261 CHO 200 12.228 -3.413 12.455 1013 H262 CHO 200 H262 CHO 200 10.896 -2.243 12.553 1014 H11 CHO 201 H11 CHO 201 -6.605 4.277 0.548 1015 H12 CHO 201 H12 CHO 201 -5.191 5.030 -0.240 1016 H21 CHO 201 H21 CHO 201 -4.253 2.813 -0.723 1017 H22 CHO 201 H22 CHO 201 -5.904 2.954 -1.394 1018 H3 CHO 201 H3 CHO 201 -6.813 1.728 0.535 1019 HO3 CHO 201 HO3 CHO 201 -4.488 0.411 -0.598 1020 H41 CHO 201 H41 CHO 201 -3.899 1.500 1.407 1021 H42 CHO 201 H42 CHO 201 -5.298 0.733 2.201 1022 H5 CHO 201 H5 CHO 201 -6.266 2.962 2.648 1023 H61 CHO 201 H61 CHO 201 -4.745 1.872 4.294 1024 H62 CHO 201 H62 CHO 201 -4.683 3.652 4.376 1025 H7 CHO 201 H7 CHO 201 -2.419 2.759 4.465 1026 HO7 CHO 201 HO7 CHO 201 -2.875 0.751 3.331 1027 H8 CHO 201 H8 CHO 201 -2.719 4.850 3.272 1028 H9 CHO 201 H9 CHO 201 -3.058 3.097 0.800 1029 H111 CHO 201 H111 CHO 201 -3.096 6.121 1.010 1030 H112 CHO 201 H112 CHO 201 -3.291 5.114 -0.467 1031 H121 CHO 201 H121 CHO 201 -1.004 6.095 -0.259 1032 H122 CHO 201 H122 CHO 201 -1.000 4.323 -0.290 1033 H14 CHO 201 H14 CHO 201 -0.878 2.948 1.870 1034 H151 CHO 201 H151 CHO 201 -0.078 3.096 4.188 1035 H152 CHO 201 H152 CHO 201 -0.391 4.778 4.325 1036 H161 CHO 201 H161 CHO 201 1.763 3.336 2.710 1037 H162 CHO 201 H162 CHO 201 1.923 4.862 3.550 1038 H17 CHO 201 H17 CHO 201 1.236 4.442 0.742 1039 H181 CHO 201 H181 CHO 201 -0.979 7.293 1.873 1040 H182 CHO 201 H182 CHO 201 -0.302 6.512 3.323 1041 H183 CHO 201 H183 CHO 201 -2.009 6.257 2.889 1042 H191 CHO 201 H191 CHO 201 -4.935 6.244 1.841 1043 H192 CHO 201 H192 CHO 201 -4.318 5.423 3.296 1044 H193 CHO 201 H193 CHO 201 -6.046 5.322 2.882 1045 H20 CHO 201 H20 CHO 201 1.352 6.963 2.358 1046 H211 CHO 201 H211 CHO 201 0.944 6.374 -0.540 1047 H212 CHO 201 H212 CHO 201 2.029 7.719 -0.113 1048 H213 CHO 201 H213 CHO 201 0.342 7.721 0.456 1049 H221 CHO 201 H221 CHO 201 3.435 5.526 0.671 1050 H222 CHO 201 H222 CHO 201 3.412 5.645 2.460 1051 H231 CHO 201 H231 CHO 201 3.551 8.117 2.268 1052 H232 CHO 201 H232 CHO 201 3.686 7.937 0.491 1053 HN CHO 201 HN CHO 201 5.110 5.606 2.748 1054 H261 CHO 201 H261 CHO 201 7.816 6.675 2.165 1055 H262 CHO 201 H262 CHO 201 7.417 4.948 2.029 Start of MODEL 5 1 H ALA 1 H ALA 1 -14.146 -6.398 -5.269 2 HA ALA 1 HA ALA 1 -14.357 -8.379 -3.868 3 HB1 ALA 1 HB1 ALA 1 -13.393 -10.423 -4.443 4 HB2 ALA 1 HB2 ALA 1 -12.438 -9.713 -5.744 5 HB3 ALA 1 HB3 ALA 1 -14.185 -9.900 -5.932 6 H PHE 2 H PHE 2 -13.306 -6.533 -2.837 7 HA PHE 2 HA PHE 2 -10.400 -6.454 -3.059 8 HB2 PHE 2 HB2 PHE 2 -12.455 -4.684 -1.777 9 HB3 PHE 2 HB3 PHE 2 -10.772 -4.577 -1.273 10 HD1 PHE 2 HD1 PHE 2 -9.086 -4.526 -3.369 11 HD2 PHE 2 HD2 PHE 2 -13.129 -3.204 -3.387 12 HE1 PHE 2 HE1 PHE 2 -8.597 -3.078 -5.295 13 HE2 PHE 2 HE2 PHE 2 -12.650 -1.755 -5.320 14 HZ PHE 2 HZ PHE 2 -10.380 -1.688 -6.269 15 H THR 3 H THR 3 -12.855 -7.708 -1.012 16 HA THR 3 HA THR 3 -11.486 -7.855 1.433 17 HB THR 3 HB THR 3 -13.398 -10.002 0.650 18 HG1 THR 3 HG1 THR 3 -14.863 -8.584 0.087 19 HG21 THR 3 HG21 THR 3 -12.996 -8.273 3.088 20 HG22 THR 3 HG22 THR 3 -12.556 -9.972 2.905 21 HG23 THR 3 HG23 THR 3 -14.257 -9.500 2.929 22 H GLY 4 H GLY 4 -10.297 -9.486 2.399 23 HA2 GLY 4 HA2 GLY 4 -9.658 -11.910 2.190 24 HA3 GLY 4 HA3 GLY 4 -9.255 -11.497 0.532 25 H LYS 5 H LYS 5 -7.354 -12.658 1.996 26 HA LYS 5 HA LYS 5 -5.619 -10.486 2.927 27 HB2 LYS 5 HB2 LYS 5 -4.573 -11.961 4.309 28 HB3 LYS 5 HB3 LYS 5 -6.079 -12.848 4.148 29 HG2 LYS 5 HG2 LYS 5 -4.989 -14.069 2.224 30 HG3 LYS 5 HG3 LYS 5 -3.469 -13.355 2.759 31 HD2 LYS 5 HD2 LYS 5 -5.232 -14.869 4.652 32 HD3 LYS 5 HD3 LYS 5 -4.089 -15.705 3.599 33 HE2 LYS 5 HE2 LYS 5 -2.249 -14.448 4.547 34 HE3 LYS 5 HE3 LYS 5 -3.369 -13.511 5.533 35 HZ1 LYS 5 HZ1 LYS 5 -2.217 -15.382 6.693 36 HZ2 LYS 5 HZ2 LYS 5 -3.112 -16.451 5.739 37 HZ3 LYS 5 HZ3 LYS 5 -3.903 -15.405 6.804 38 H TYR 6 H TYR 6 -3.641 -10.103 1.935 39 HA TYR 6 HA TYR 6 -3.193 -11.573 -0.580 40 HB2 TYR 6 HB2 TYR 6 -2.837 -8.607 -0.115 41 HB3 TYR 6 HB3 TYR 6 -2.455 -9.458 -1.605 42 HD1 TYR 6 HD1 TYR 6 -5.148 -8.170 0.522 43 HD2 TYR 6 HD2 TYR 6 -4.208 -10.201 -3.095 44 HE1 TYR 6 HE1 TYR 6 -7.443 -7.798 -0.274 45 HE2 TYR 6 HE2 TYR 6 -6.501 -9.834 -3.902 46 HH TYR 6 HH TYR 6 -8.856 -8.013 -1.963 47 H GLU 7 H GLU 7 -1.069 -11.919 -1.190 48 HA GLU 7 HA GLU 7 0.967 -11.194 0.805 49 HB2 GLU 7 HB2 GLU 7 0.420 -13.844 -0.488 50 HB3 GLU 7 HB3 GLU 7 2.055 -13.434 0.027 51 HG2 GLU 7 HG2 GLU 7 1.237 -13.092 2.306 52 HG3 GLU 7 HG3 GLU 7 -0.392 -13.521 1.781 53 H PHE 8 H PHE 8 3.107 -11.002 0.008 54 HA PHE 8 HA PHE 8 3.377 -9.522 -2.319 55 HB2 PHE 8 HB2 PHE 8 4.996 -9.326 -0.561 56 HB3 PHE 8 HB3 PHE 8 5.422 -11.032 -0.686 57 HD1 PHE 8 HD1 PHE 8 5.078 -8.301 -3.208 58 HD2 PHE 8 HD2 PHE 8 7.582 -11.239 -1.418 59 HE1 PHE 8 HE1 PHE 8 6.865 -7.741 -4.796 60 HE2 PHE 8 HE2 PHE 8 9.376 -10.678 -3.002 61 HZ PHE 8 HZ PHE 8 9.021 -8.924 -4.687 62 H GLU 9 H GLU 9 3.185 -10.139 -4.359 63 HA GLU 9 HA GLU 9 4.023 -12.867 -5.076 64 HB2 GLU 9 HB2 GLU 9 1.615 -12.440 -5.382 65 HB3 GLU 9 HB3 GLU 9 1.993 -11.100 -6.454 66 HG2 GLU 9 HG2 GLU 9 1.660 -12.652 -8.034 67 HG3 GLU 9 HG3 GLU 9 3.344 -13.038 -7.695 68 H SER 10 H SER 10 3.722 -9.589 -6.465 69 HA SER 10 HA SER 10 6.370 -9.891 -7.639 70 HB2 SER 10 HB2 SER 10 3.941 -9.205 -9.309 71 HB3 SER 10 HB3 SER 10 5.603 -9.262 -9.881 72 HG SER 10 HG SER 10 5.177 -11.580 -8.755 73 H ASP 11 H ASP 11 7.273 -7.855 -8.398 74 HA ASP 11 HA ASP 11 5.865 -5.432 -7.650 75 HB2 ASP 11 HB2 ASP 11 7.625 -4.576 -6.251 76 HB3 ASP 11 HB3 ASP 11 7.157 -6.143 -5.616 77 H GLU 12 H GLU 12 6.832 -3.529 -8.554 78 HA GLU 12 HA GLU 12 8.957 -3.907 -10.496 79 HB2 GLU 12 HB2 GLU 12 7.118 -4.443 -11.878 80 HB3 GLU 12 HB3 GLU 12 6.123 -3.197 -11.157 81 HG2 GLU 12 HG2 GLU 12 7.744 -1.527 -12.187 82 HG3 GLU 12 HG3 GLU 12 8.358 -2.891 -13.119 83 H ASN 13 H ASN 13 10.097 -2.089 -10.868 84 HA ASN 13 HA ASN 13 10.996 -0.035 -10.524 85 HB2 ASN 13 HB2 ASN 13 8.090 0.503 -10.786 86 HB3 ASN 13 HB3 ASN 13 9.050 1.789 -10.065 87 HD21 ASN 13 HD21 ASN 13 7.663 1.842 -12.563 88 HD22 ASN 13 HD22 ASN 13 8.849 2.101 -13.797 89 H TYR 14 H TYR 14 11.151 -1.574 -8.307 90 HA TYR 14 HA TYR 14 10.028 -0.253 -6.019 91 HB2 TYR 14 HB2 TYR 14 10.544 -2.688 -6.053 92 HB3 TYR 14 HB3 TYR 14 12.259 -2.292 -6.093 93 HD1 TYR 14 HD1 TYR 14 13.357 -1.295 -4.128 94 HD2 TYR 14 HD2 TYR 14 9.263 -2.464 -4.006 95 HE1 TYR 14 HE1 TYR 14 13.386 -1.127 -1.681 96 HE2 TYR 14 HE2 TYR 14 9.290 -2.302 -1.548 97 HH TYR 14 HH TYR 14 11.002 -2.400 0.285 98 H ASP 15 H ASP 15 13.353 -0.667 -7.205 99 HA ASP 15 HA ASP 15 14.611 1.006 -5.356 100 HB2 ASP 15 HB2 ASP 15 15.422 0.489 -8.211 101 HB3 ASP 15 HB3 ASP 15 16.460 1.161 -6.966 102 H ASP 16 H ASP 16 13.359 1.756 -8.584 103 HA ASP 16 HA ASP 16 14.142 4.428 -8.713 104 HB2 ASP 16 HB2 ASP 16 12.118 2.736 -10.028 105 HB3 ASP 16 HB3 ASP 16 11.811 4.466 -10.092 106 H PHE 17 H PHE 17 11.278 2.934 -7.343 107 HA PHE 17 HA PHE 17 9.870 5.278 -6.690 108 HB2 PHE 17 HB2 PHE 17 8.865 3.030 -6.797 109 HB3 PHE 17 HB3 PHE 17 9.799 2.556 -5.384 110 HD1 PHE 17 HD1 PHE 17 7.174 4.910 -6.535 111 HD2 PHE 17 HD2 PHE 17 8.980 2.908 -3.244 112 HE1 PHE 17 HE1 PHE 17 5.341 5.658 -5.078 113 HE2 PHE 17 HE2 PHE 17 7.150 3.655 -1.788 114 HZ PHE 17 HZ PHE 17 5.327 5.024 -2.699 115 H VAL 18 H VAL 18 11.829 3.119 -4.647 116 HA VAL 18 HA VAL 18 11.639 4.699 -2.333 117 HB VAL 18 HB VAL 18 13.568 3.417 -1.470 118 HG11 VAL 18 HG11 VAL 18 12.425 1.329 -1.335 119 HG12 VAL 18 HG12 VAL 18 11.581 1.625 -2.856 120 HG13 VAL 18 HG13 VAL 18 11.194 2.590 -1.431 121 HG21 VAL 18 HG21 VAL 18 14.944 3.099 -3.364 122 HG22 VAL 18 HG22 VAL 18 13.632 2.366 -4.287 123 HG23 VAL 18 HG23 VAL 18 14.351 1.492 -2.931 124 H LYS 19 H LYS 19 13.953 4.774 -5.015 125 HA LYS 19 HA LYS 19 15.731 6.568 -3.684 126 HB2 LYS 19 HB2 LYS 19 15.407 5.678 -6.526 127 HB3 LYS 19 HB3 LYS 19 16.500 6.998 -6.133 128 HG2 LYS 19 HG2 LYS 19 16.639 4.264 -4.891 129 HG3 LYS 19 HG3 LYS 19 17.595 4.777 -6.284 130 HD2 LYS 19 HD2 LYS 19 18.925 6.151 -5.028 131 HD3 LYS 19 HD3 LYS 19 17.662 6.480 -3.840 132 HE2 LYS 19 HE2 LYS 19 17.925 4.251 -2.923 133 HE3 LYS 19 HE3 LYS 19 19.152 3.876 -4.131 134 HZ1 LYS 19 HZ1 LYS 19 20.193 4.467 -2.065 135 HZ2 LYS 19 HZ2 LYS 19 19.350 5.934 -2.001 136 HZ3 LYS 19 HZ3 LYS 19 20.508 5.674 -3.205 137 H LYS 20 H LYS 20 12.835 6.974 -5.568 138 HA LYS 20 HA LYS 20 13.252 9.769 -6.098 139 HB2 LYS 20 HB2 LYS 20 11.831 8.219 -7.500 140 HB3 LYS 20 HB3 LYS 20 10.639 8.256 -6.208 141 HG2 LYS 20 HG2 LYS 20 9.934 9.820 -7.825 142 HG3 LYS 20 HG3 LYS 20 10.593 10.757 -6.483 143 HD2 LYS 20 HD2 LYS 20 12.602 11.199 -7.654 144 HD3 LYS 20 HD3 LYS 20 12.217 10.015 -8.904 145 HE2 LYS 20 HE2 LYS 20 10.243 11.430 -9.508 146 HE3 LYS 20 HE3 LYS 20 10.846 12.648 -8.382 147 HZ1 LYS 20 HZ1 LYS 20 12.956 12.620 -9.702 148 HZ2 LYS 20 HZ2 LYS 20 11.614 13.236 -10.527 149 HZ3 LYS 20 HZ3 LYS 20 12.158 11.670 -10.857 150 H ILE 21 H ILE 21 11.446 7.874 -3.713 151 HA ILE 21 HA ILE 21 10.287 10.232 -2.522 152 HB ILE 21 HB ILE 21 9.417 8.686 -0.791 153 HG12 ILE 21 HG12 ILE 21 10.497 6.422 -2.437 154 HG13 ILE 21 HG13 ILE 21 11.452 7.101 -1.122 155 HG21 ILE 21 HG21 ILE 21 8.943 7.708 -3.605 156 HG22 ILE 21 HG22 ILE 21 8.201 9.150 -2.911 157 HG23 ILE 21 HG23 ILE 21 7.844 7.559 -2.235 158 HD11 ILE 21 HD11 ILE 21 10.163 5.099 -0.493 159 HD12 ILE 21 HD12 ILE 21 8.671 5.980 -0.821 160 HD13 ILE 21 HD13 ILE 21 9.752 6.517 0.469 161 H GLY 22 H GLY 22 13.312 8.854 -2.364 162 HA2 GLY 22 HA2 GLY 22 15.133 9.449 -1.082 163 HA3 GLY 22 HA3 GLY 22 14.101 10.594 -0.241 164 H LEU 23 H LEU 23 13.599 7.116 -0.490 165 HA LEU 23 HA LEU 23 13.263 6.864 2.342 166 HB2 LEU 23 HB2 LEU 23 12.092 5.514 0.551 167 HB3 LEU 23 HB3 LEU 23 13.604 4.669 0.294 168 HG LEU 23 HG LEU 23 13.504 3.878 2.662 169 HD11 LEU 23 HD11 LEU 23 10.616 4.550 2.757 170 HD12 LEU 23 HD12 LEU 23 11.769 5.816 3.177 171 HD13 LEU 23 HD13 LEU 23 11.766 4.292 4.068 172 HD21 LEU 23 HD21 LEU 23 12.605 2.642 0.614 173 HD22 LEU 23 HD22 LEU 23 11.006 3.101 1.196 174 HD23 LEU 23 HD23 LEU 23 12.058 2.103 2.198 175 HA PRO 24 HA PRO 24 17.547 6.204 3.396 176 HB2 PRO 24 HB2 PRO 24 17.144 4.925 5.785 177 HB3 PRO 24 HB3 PRO 24 17.001 6.681 5.584 178 HG2 PRO 24 HG2 PRO 24 14.856 4.622 5.659 179 HG3 PRO 24 HG3 PRO 24 14.909 6.230 6.404 180 HD2 PRO 24 HD2 PRO 24 13.545 5.764 4.145 181 HD3 PRO 24 HD3 PRO 24 14.364 7.310 4.446 182 H ALA 25 H ALA 25 18.999 4.593 3.088 183 HA ALA 25 HA ALA 25 18.329 2.210 1.846 184 HB1 ALA 25 HB1 ALA 25 20.841 2.605 3.448 185 HB2 ALA 25 HB2 ALA 25 20.576 3.344 1.866 186 HB3 ALA 25 HB3 ALA 25 20.602 1.589 2.029 187 H ASP 26 H ASP 26 18.802 2.908 5.236 188 HA ASP 26 HA ASP 26 18.992 0.361 6.292 189 HB2 ASP 26 HB2 ASP 26 18.335 3.012 7.278 190 HB3 ASP 26 HB3 ASP 26 17.446 1.759 8.142 191 H LYS 27 H LYS 27 16.122 2.197 5.404 192 HA LYS 27 HA LYS 27 14.379 0.046 6.295 193 HB2 LYS 27 HB2 LYS 27 13.706 2.687 4.998 194 HB3 LYS 27 HB3 LYS 27 12.541 1.549 5.656 195 HG2 LYS 27 HG2 LYS 27 14.630 3.070 7.213 196 HG3 LYS 27 HG3 LYS 27 12.892 3.378 7.195 197 HD2 LYS 27 HD2 LYS 27 12.493 1.157 8.156 198 HD3 LYS 27 HD3 LYS 27 14.232 0.860 8.195 199 HE2 LYS 27 HE2 LYS 27 14.525 2.742 9.712 200 HE3 LYS 27 HE3 LYS 27 12.797 3.075 9.656 201 HZ1 LYS 27 HZ1 LYS 27 14.033 0.585 10.709 202 HZ2 LYS 27 HZ2 LYS 27 12.381 0.935 10.678 203 HZ3 LYS 27 HZ3 LYS 27 13.420 1.851 11.648 204 H ILE 28 H ILE 28 15.595 1.483 3.347 205 HA ILE 28 HA ILE 28 13.880 0.351 1.469 206 HB ILE 28 HB ILE 28 16.818 1.035 1.285 207 HG12 ILE 28 HG12 ILE 28 14.390 2.337 0.059 208 HG13 ILE 28 HG13 ILE 28 15.217 2.910 1.504 209 HG21 ILE 28 HG21 ILE 28 16.754 0.684 -1.081 210 HG22 ILE 28 HG22 ILE 28 15.043 0.269 -1.025 211 HG23 ILE 28 HG23 ILE 28 16.233 -0.803 -0.288 212 HD11 ILE 28 HD11 ILE 28 16.301 2.785 -1.300 213 HD12 ILE 28 HD12 ILE 28 17.270 3.183 0.119 214 HD13 ILE 28 HD13 ILE 28 15.931 4.228 -0.353 215 H GLU 29 H GLU 29 16.996 -0.900 2.661 216 HA GLU 29 HA GLU 29 16.743 -3.376 1.257 217 HB2 GLU 29 HB2 GLU 29 18.578 -2.711 3.561 218 HB3 GLU 29 HB3 GLU 29 18.781 -4.008 2.392 219 HG2 GLU 29 HG2 GLU 29 19.020 -2.321 0.610 220 HG3 GLU 29 HG3 GLU 29 18.911 -1.058 1.833 221 H MET 30 H MET 30 15.554 -2.204 4.216 222 HA MET 30 HA MET 30 15.307 -4.774 5.507 223 HB2 MET 30 HB2 MET 30 15.626 -2.666 6.773 224 HB3 MET 30 HB3 MET 30 14.066 -2.102 6.194 225 HG2 MET 30 HG2 MET 30 13.788 -2.892 8.414 226 HG3 MET 30 HG3 MET 30 13.015 -4.044 7.324 227 HE1 MET 30 HE1 MET 30 14.531 -7.269 7.958 228 HE2 MET 30 HE2 MET 30 13.616 -6.234 6.861 229 HE3 MET 30 HE3 MET 30 13.083 -6.442 8.531 230 H GLY 31 H GLY 31 13.342 -2.630 3.550 231 HA2 GLY 31 HA2 GLY 31 11.058 -4.482 3.858 232 HA3 GLY 31 HA3 GLY 31 10.926 -2.786 3.425 233 H ARG 32 H ARG 32 13.302 -4.920 1.929 234 HA ARG 32 HA ARG 32 11.701 -4.679 -0.531 235 HB2 ARG 32 HB2 ARG 32 13.711 -4.684 -1.842 236 HB3 ARG 32 HB3 ARG 32 13.846 -3.445 -0.606 237 HG2 ARG 32 HG2 ARG 32 15.403 -4.699 0.628 238 HG3 ARG 32 HG3 ARG 32 15.049 -6.171 -0.276 239 HD2 ARG 32 HD2 ARG 32 17.206 -4.990 -0.878 240 HD3 ARG 32 HD3 ARG 32 16.119 -5.363 -2.215 241 HE ARG 32 HE ARG 32 16.079 -2.686 -1.001 242 HH11 ARG 32 HH11 ARG 32 16.692 -4.776 -3.767 243 HH12 ARG 32 HH12 ARG 32 16.783 -3.404 -4.929 244 HH21 ARG 32 HH21 ARG 32 16.226 -0.908 -2.471 245 HH22 ARG 32 HH22 ARG 32 16.531 -1.270 -4.219 246 H ASN 33 H ASN 33 11.249 -6.413 -1.717 247 HA ASN 33 HA ASN 33 10.882 -8.581 -2.264 248 HB2 ASN 33 HB2 ASN 33 13.681 -8.753 -1.181 249 HB3 ASN 33 HB3 ASN 33 12.831 -10.201 -1.710 250 HD21 ASN 33 HD21 ASN 33 15.199 -8.662 -2.730 251 HD22 ASN 33 HD22 ASN 33 14.862 -8.429 -4.411 252 H CYS 34 H CYS 34 10.417 -7.471 0.570 253 HA CYS 34 HA CYS 34 10.361 -9.899 2.154 254 HB2 CYS 34 HB2 CYS 34 9.355 -7.132 2.842 255 HB3 CYS 34 HB3 CYS 34 9.592 -8.463 3.965 256 HG CYS 34 HG CYS 34 11.662 -6.805 4.524 257 H LYS 35 H LYS 35 8.424 -10.775 3.052 258 HA LYS 35 HA LYS 35 6.201 -10.543 1.202 259 HB2 LYS 35 HB2 LYS 35 5.324 -12.484 2.738 260 HB3 LYS 35 HB3 LYS 35 6.552 -12.784 1.521 261 HG2 LYS 35 HG2 LYS 35 7.550 -12.047 4.198 262 HG3 LYS 35 HG3 LYS 35 6.733 -13.608 4.075 263 HD2 LYS 35 HD2 LYS 35 8.229 -14.187 2.183 264 HD3 LYS 35 HD3 LYS 35 9.092 -12.670 2.441 265 HE2 LYS 35 HE2 LYS 35 9.631 -13.403 4.738 266 HE3 LYS 35 HE3 LYS 35 8.820 -14.935 4.412 267 HZ1 LYS 35 HZ1 LYS 35 11.245 -15.045 4.160 268 HZ2 LYS 35 HZ2 LYS 35 11.162 -13.919 2.900 269 HZ3 LYS 35 HZ3 LYS 35 10.429 -15.433 2.732 270 H ILE 36 H ILE 36 5.242 -8.623 1.723 271 HA ILE 36 HA ILE 36 4.280 -8.217 4.442 272 HB ILE 36 HB ILE 36 4.153 -6.478 1.971 273 HG12 ILE 36 HG12 ILE 36 5.390 -4.921 3.656 274 HG13 ILE 36 HG13 ILE 36 5.700 -6.404 4.542 275 HG21 ILE 36 HG21 ILE 36 3.088 -5.773 4.698 276 HG22 ILE 36 HG22 ILE 36 2.080 -6.275 3.340 277 HG23 ILE 36 HG23 ILE 36 3.024 -4.789 3.236 278 HD11 ILE 36 HD11 ILE 36 7.533 -5.674 3.031 279 HD12 ILE 36 HD12 ILE 36 6.466 -6.005 1.668 280 HD13 ILE 36 HD13 ILE 36 6.953 -7.316 2.749 281 H VAL 37 H VAL 37 2.409 -9.062 5.028 282 HA VAL 37 HA VAL 37 0.513 -9.992 3.032 283 HB VAL 37 HB VAL 37 0.083 -10.124 6.003 284 HG11 VAL 37 HG11 VAL 37 -0.783 -11.894 3.726 285 HG12 VAL 37 HG12 VAL 37 -1.794 -10.751 4.612 286 HG13 VAL 37 HG13 VAL 37 -1.144 -12.170 5.429 287 HG21 VAL 37 HG21 VAL 37 1.298 -12.190 6.138 288 HG22 VAL 37 HG22 VAL 37 2.372 -10.965 5.463 289 HG23 VAL 37 HG23 VAL 37 1.627 -12.164 4.407 290 H THR 38 H THR 38 -1.445 -9.091 2.599 291 HA THR 38 HA THR 38 -2.169 -6.689 4.147 292 HB THR 38 HB THR 38 -2.619 -7.216 1.207 293 HG1 THR 38 HG1 THR 38 -0.521 -6.553 1.577 294 HG21 THR 38 HG21 THR 38 -3.479 -4.878 1.168 295 HG22 THR 38 HG22 THR 38 -3.447 -4.881 2.932 296 HG23 THR 38 HG23 THR 38 -4.508 -5.994 2.067 297 H GLU 39 H GLU 39 -3.796 -7.286 5.472 298 HA GLU 39 HA GLU 39 -5.833 -9.148 4.497 299 HB2 GLU 39 HB2 GLU 39 -5.464 -7.982 7.255 300 HB3 GLU 39 HB3 GLU 39 -6.594 -9.253 6.808 301 HG2 GLU 39 HG2 GLU 39 -4.517 -10.554 6.053 302 HG3 GLU 39 HG3 GLU 39 -3.606 -9.370 6.991 303 H VAL 40 H VAL 40 -7.631 -8.387 3.632 304 HA VAL 40 HA VAL 40 -8.486 -5.650 4.337 305 HB VAL 40 HB VAL 40 -9.026 -7.173 1.782 306 HG11 VAL 40 HG11 VAL 40 -9.673 -4.312 2.496 307 HG12 VAL 40 HG12 VAL 40 -10.835 -5.635 2.376 308 HG13 VAL 40 HG13 VAL 40 -9.967 -5.092 0.940 309 HG21 VAL 40 HG21 VAL 40 -7.573 -5.328 0.798 310 HG22 VAL 40 HG22 VAL 40 -6.751 -6.581 1.729 311 HG23 VAL 40 HG23 VAL 40 -7.063 -5.004 2.455 312 H VAL 41 H VAL 41 -10.407 -5.388 5.254 313 HA VAL 41 HA VAL 41 -12.340 -7.615 5.191 314 HB VAL 41 HB VAL 41 -12.104 -5.438 7.284 315 HG11 VAL 41 HG11 VAL 41 -14.375 -6.476 6.841 316 HG12 VAL 41 HG12 VAL 41 -13.781 -6.535 8.501 317 HG13 VAL 41 HG13 VAL 41 -13.694 -7.971 7.483 318 HG21 VAL 41 HG21 VAL 41 -10.189 -6.925 7.413 319 HG22 VAL 41 HG22 VAL 41 -11.258 -8.330 7.420 320 HG23 VAL 41 HG23 VAL 41 -11.277 -7.201 8.776 321 H GLN 42 H GLN 42 -14.278 -7.174 4.229 322 HA GLN 42 HA GLN 42 -14.657 -4.503 3.162 323 HB2 GLN 42 HB2 GLN 42 -15.051 -6.778 1.938 324 HB3 GLN 42 HB3 GLN 42 -16.607 -6.742 2.759 325 HG2 GLN 42 HG2 GLN 42 -17.244 -4.742 1.654 326 HG3 GLN 42 HG3 GLN 42 -15.608 -4.471 1.062 327 HE21 GLN 42 HE21 GLN 42 -18.547 -6.271 0.637 328 HE22 GLN 42 HE22 GLN 42 -18.162 -6.915 -0.921 329 H ASN 43 H ASN 43 -15.495 -3.069 4.469 330 HA ASN 43 HA ASN 43 -17.874 -3.804 6.042 331 HB2 ASN 43 HB2 ASN 43 -16.006 -3.352 7.532 332 HB3 ASN 43 HB3 ASN 43 -15.656 -1.842 6.701 333 HD21 ASN 43 HD21 ASN 43 -15.915 -0.451 8.322 334 HD22 ASN 43 HD22 ASN 43 -17.400 -0.206 9.182 335 H GLY 44 H GLY 44 -18.948 -3.246 3.964 336 HA2 GLY 44 HA2 GLY 44 -20.316 -1.828 2.783 337 HA3 GLY 44 HA3 GLY 44 -20.038 -0.625 4.038 338 H ASN 45 H ASN 45 -18.672 1.028 3.648 339 HA ASN 45 HA ASN 45 -17.186 0.951 1.103 340 HB2 ASN 45 HB2 ASN 45 -18.975 2.985 2.227 341 HB3 ASN 45 HB3 ASN 45 -17.411 3.634 1.730 342 HD21 ASN 45 HD21 ASN 45 -19.055 0.886 0.306 343 HD22 ASN 45 HD22 ASN 45 -19.324 1.613 -1.245 344 H ASP 46 H ASP 46 -16.716 0.390 4.092 345 HA ASP 46 HA ASP 46 -14.286 2.005 4.429 346 HB2 ASP 46 HB2 ASP 46 -15.879 2.229 6.264 347 HB3 ASP 46 HB3 ASP 46 -15.950 0.481 6.448 348 H PHE 47 H PHE 47 -12.569 0.945 3.677 349 HA PHE 47 HA PHE 47 -12.465 -1.963 4.021 350 HB2 PHE 47 HB2 PHE 47 -10.945 -0.203 2.087 351 HB3 PHE 47 HB3 PHE 47 -10.788 -1.951 2.210 352 HD1 PHE 47 HD1 PHE 47 -13.088 0.785 1.319 353 HD2 PHE 47 HD2 PHE 47 -12.349 -3.400 1.190 354 HE1 PHE 47 HE1 PHE 47 -14.948 0.514 -0.259 355 HE2 PHE 47 HE2 PHE 47 -14.211 -3.682 -0.391 356 HZ PHE 47 HZ PHE 47 -15.513 -1.722 -1.115 357 H THR 48 H THR 48 -11.019 -2.826 5.331 358 HA THR 48 HA THR 48 -9.163 -1.068 6.708 359 HB THR 48 HB THR 48 -8.771 -3.408 7.922 360 HG1 THR 48 HG1 THR 48 -11.306 -4.051 7.777 361 HG21 THR 48 HG21 THR 48 -11.224 -1.687 8.311 362 HG22 THR 48 HG22 THR 48 -9.627 -1.392 8.998 363 HG23 THR 48 HG23 THR 48 -10.552 -2.807 9.501 364 H TRP 49 H TRP 49 -7.143 -0.861 5.977 365 HA TRP 49 HA TRP 49 -5.993 -3.029 4.379 366 HB2 TRP 49 HB2 TRP 49 -5.922 -0.212 4.156 367 HB3 TRP 49 HB3 TRP 49 -4.286 -0.725 4.554 368 HD1 TRP 49 HD1 TRP 49 -2.853 -1.338 2.542 369 HE1 TRP 49 HE1 TRP 49 -3.281 -2.078 0.120 370 HE3 TRP 49 HE3 TRP 49 -7.952 -1.636 2.673 371 HZ2 TRP 49 HZ2 TRP 49 -5.497 -2.686 -1.532 372 HZ3 TRP 49 HZ3 TRP 49 -9.147 -2.300 0.631 373 HH2 TRP 49 HH2 TRP 49 -7.944 -2.813 -1.428 374 H THR 50 H THR 50 -5.080 -4.494 5.652 375 HA THR 50 HA THR 50 -3.432 -3.605 7.922 376 HB THR 50 HB THR 50 -4.290 -6.437 7.403 377 HG1 THR 50 HG1 THR 50 -6.244 -5.443 7.463 378 HG21 THR 50 HG21 THR 50 -3.682 -4.909 9.935 379 HG22 THR 50 HG22 THR 50 -2.598 -6.040 9.128 380 HG23 THR 50 HG23 THR 50 -4.104 -6.620 9.837 381 H GLN 51 H GLN 51 -1.298 -3.614 7.611 382 HA GLN 51 HA GLN 51 -0.153 -5.400 5.560 383 HB2 GLN 51 HB2 GLN 51 0.538 -2.660 6.522 384 HB3 GLN 51 HB3 GLN 51 1.851 -3.703 6.011 385 HG2 GLN 51 HG2 GLN 51 1.242 -2.354 4.166 386 HG3 GLN 51 HG3 GLN 51 0.694 -3.995 3.836 387 HE21 GLN 51 HE21 GLN 51 -1.399 -4.360 3.445 388 HE22 GLN 51 HE22 GLN 51 -2.626 -3.145 3.490 389 H HIS 52 H HIS 52 0.878 -7.116 6.367 390 HA HIS 52 HA HIS 52 2.028 -6.908 9.069 391 HB2 HIS 52 HB2 HIS 52 1.162 -9.322 7.475 392 HB3 HIS 52 HB3 HIS 52 2.018 -9.422 9.012 393 HD2 HIS 52 HD2 HIS 52 -1.502 -9.076 7.639 394 HE1 HIS 52 HE1 HIS 52 -1.699 -8.390 11.807 395 HE2 HIS 52 HE2 HIS 52 -3.019 -9.045 9.742 396 H PHE 53 H PHE 53 4.120 -7.114 9.395 397 HA PHE 53 HA PHE 53 5.817 -7.610 7.049 398 HB2 PHE 53 HB2 PHE 53 5.861 -5.414 8.461 399 HB3 PHE 53 HB3 PHE 53 6.776 -6.385 9.610 400 HD1 PHE 53 HD1 PHE 53 6.711 -5.465 6.018 401 HD2 PHE 53 HD2 PHE 53 9.057 -6.519 9.398 402 HE1 PHE 53 HE1 PHE 53 8.760 -5.010 4.730 403 HE2 PHE 53 HE2 PHE 53 11.109 -6.065 8.127 404 HZ PHE 53 HZ PHE 53 10.966 -5.310 5.791 405 HA PRO 54 HA PRO 54 7.088 -11.414 8.921 406 HB2 PRO 54 HB2 PRO 54 9.399 -11.781 7.498 407 HB3 PRO 54 HB3 PRO 54 7.788 -12.088 6.824 408 HG2 PRO 54 HG2 PRO 54 9.585 -9.751 6.448 409 HG3 PRO 54 HG3 PRO 54 8.533 -10.565 5.279 410 HD2 PRO 54 HD2 PRO 54 7.884 -8.223 6.481 411 HD3 PRO 54 HD3 PRO 54 6.674 -9.403 5.936 412 H GLY 55 H GLY 55 7.822 -11.325 10.973 413 HA2 GLY 55 HA2 GLY 55 9.264 -11.079 12.746 414 HA3 GLY 55 HA3 GLY 55 10.561 -11.027 11.561 415 H GLY 56 H GLY 56 7.929 -8.713 11.585 416 HA2 GLY 56 HA2 GLY 56 9.648 -6.723 12.870 417 HA3 GLY 56 HA3 GLY 56 9.171 -6.416 11.210 418 H ARG 57 H ARG 57 8.298 -4.466 12.184 419 HA ARG 57 HA ARG 57 6.050 -4.608 13.938 420 HB2 ARG 57 HB2 ARG 57 5.896 -2.196 13.595 421 HB3 ARG 57 HB3 ARG 57 7.549 -2.684 13.926 422 HG2 ARG 57 HG2 ARG 57 8.066 -1.395 12.176 423 HG3 ARG 57 HG3 ARG 57 7.507 -2.758 11.203 424 HD2 ARG 57 HD2 ARG 57 6.337 -0.969 10.304 425 HD3 ARG 57 HD3 ARG 57 5.176 -1.660 11.440 426 HE ARG 57 HE ARG 57 6.847 0.517 12.426 427 HH11 ARG 57 HH11 ARG 57 3.748 -0.476 11.087 428 HH12 ARG 57 HH12 ARG 57 2.880 0.992 11.694 429 HH21 ARG 57 HH21 ARG 57 5.795 2.397 13.213 430 HH22 ARG 57 HH22 ARG 57 4.031 2.591 12.887 431 H THR 58 H THR 58 3.890 -4.246 13.500 432 HA THR 58 HA THR 58 3.104 -4.761 10.723 433 HB THR 58 HB THR 58 2.292 -6.272 12.567 434 HG1 THR 58 HG1 THR 58 0.692 -6.648 11.233 435 HG21 THR 58 HG21 THR 58 0.485 -3.950 13.247 436 HG22 THR 58 HG22 THR 58 1.848 -4.478 14.234 437 HG23 THR 58 HG23 THR 58 0.476 -5.555 13.982 438 H THR 59 H THR 59 1.213 -3.648 9.892 439 HA THR 59 HA THR 59 0.753 -0.988 11.053 440 HB THR 59 HB THR 59 1.011 -1.217 8.082 441 HG1 THR 59 HG1 THR 59 2.925 -2.191 8.919 442 HG21 THR 59 HG21 THR 59 1.888 0.969 9.959 443 HG22 THR 59 HG22 THR 59 0.257 0.858 9.296 444 HG23 THR 59 HG23 THR 59 1.635 1.076 8.218 445 H THR 60 H THR 60 -1.387 -0.346 10.892 446 HA THR 60 HA THR 60 -3.124 -1.733 9.014 447 HB THR 60 HB THR 60 -3.916 -1.638 11.923 448 HG1 THR 60 HG1 THR 60 -2.214 -3.377 10.629 449 HG21 THR 60 HG21 THR 60 -5.554 -3.324 11.204 450 HG22 THR 60 HG22 THR 60 -4.951 -3.199 9.552 451 HG23 THR 60 HG23 THR 60 -5.739 -1.813 10.310 452 H ASN 61 H ASN 61 -4.243 -0.211 8.019 453 HA ASN 61 HA ASN 61 -5.297 2.012 9.624 454 HB2 ASN 61 HB2 ASN 61 -4.985 3.380 7.391 455 HB3 ASN 61 HB3 ASN 61 -3.678 3.250 8.555 456 HD21 ASN 61 HD21 ASN 61 -4.728 0.762 6.266 457 HD22 ASN 61 HD22 ASN 61 -3.246 0.739 5.372 458 H SER 62 H SER 62 -7.351 2.342 9.410 459 HA SER 62 HA SER 62 -8.811 0.907 7.322 460 HB2 SER 62 HB2 SER 62 -10.763 1.285 8.831 461 HB3 SER 62 HB3 SER 62 -9.453 0.409 9.621 462 HG SER 62 HG SER 62 -10.229 3.091 9.954 463 H PHE 63 H PHE 63 -10.156 2.023 5.886 464 HA PHE 63 HA PHE 63 -10.429 4.903 6.270 465 HB2 PHE 63 HB2 PHE 63 -9.706 5.376 3.963 466 HB3 PHE 63 HB3 PHE 63 -8.406 4.666 4.913 467 HD1 PHE 63 HD1 PHE 63 -10.814 4.091 2.201 468 HD2 PHE 63 HD2 PHE 63 -7.523 2.502 4.386 469 HE1 PHE 63 HE1 PHE 63 -10.531 2.346 0.501 470 HE2 PHE 63 HE2 PHE 63 -7.238 0.751 2.681 471 HZ PHE 63 HZ PHE 63 -8.743 0.674 0.739 472 H THR 64 H THR 64 -12.198 5.822 5.286 473 HA THR 64 HA THR 64 -14.082 3.907 4.100 474 HB THR 64 HB THR 64 -14.608 6.411 5.713 475 HG1 THR 64 HG1 THR 64 -14.273 3.895 6.435 476 HG21 THR 64 HG21 THR 64 -17.033 5.699 5.472 477 HG22 THR 64 HG22 THR 64 -16.497 4.676 4.136 478 HG23 THR 64 HG23 THR 64 -16.283 6.429 4.050 479 H ILE 65 H ILE 65 -14.746 4.281 2.041 480 HA ILE 65 HA ILE 65 -13.508 6.137 0.395 481 HB ILE 65 HB ILE 65 -16.225 4.876 0.009 482 HG12 ILE 65 HG12 ILE 65 -14.504 3.188 0.336 483 HG13 ILE 65 HG13 ILE 65 -14.981 3.221 -1.356 484 HG21 ILE 65 HG21 ILE 65 -14.356 6.057 -2.039 485 HG22 ILE 65 HG22 ILE 65 -15.844 6.807 -1.460 486 HG23 ILE 65 HG23 ILE 65 -15.913 5.289 -2.355 487 HD11 ILE 65 HD11 ILE 65 -12.942 4.769 -1.660 488 HD12 ILE 65 HD12 ILE 65 -12.691 3.034 -1.460 489 HD13 ILE 65 HD13 ILE 65 -12.431 4.127 -0.099 490 H ASP 66 H ASP 66 -13.732 8.210 0.008 491 HA ASP 66 HA ASP 66 -14.487 10.339 -0.087 492 HB2 ASP 66 HB2 ASP 66 -16.674 9.134 -0.857 493 HB3 ASP 66 HB3 ASP 66 -17.256 9.551 0.755 494 H LYS 67 H LYS 67 -13.636 8.893 2.344 495 HA LYS 67 HA LYS 67 -14.433 10.945 4.270 496 HB2 LYS 67 HB2 LYS 67 -15.770 9.057 4.870 497 HB3 LYS 67 HB3 LYS 67 -14.403 7.970 4.696 498 HG2 LYS 67 HG2 LYS 67 -14.751 8.230 7.005 499 HG3 LYS 67 HG3 LYS 67 -13.326 9.192 6.616 500 HD2 LYS 67 HD2 LYS 67 -14.904 11.178 6.420 501 HD3 LYS 67 HD3 LYS 67 -16.126 10.147 7.173 502 HE2 LYS 67 HE2 LYS 67 -14.491 9.755 9.037 503 HE3 LYS 67 HE3 LYS 67 -13.483 11.020 8.324 504 HZ1 LYS 67 HZ1 LYS 67 -14.823 12.001 10.008 505 HZ2 LYS 67 HZ2 LYS 67 -16.237 11.306 9.400 506 HZ3 LYS 67 HZ3 LYS 67 -15.446 12.516 8.523 507 H GLU 68 H GLU 68 -12.773 11.589 5.688 508 HA GLU 68 HA GLU 68 -10.119 10.914 4.815 509 HB2 GLU 68 HB2 GLU 68 -9.342 12.631 6.263 510 HB3 GLU 68 HB3 GLU 68 -10.845 13.219 5.570 511 HG2 GLU 68 HG2 GLU 68 -10.898 11.844 8.218 512 HG3 GLU 68 HG3 GLU 68 -10.341 13.514 8.107 513 H ALA 69 H ALA 69 -8.599 9.704 5.880 514 HA ALA 69 HA ALA 69 -9.519 8.318 8.311 515 HB1 ALA 69 HB1 ALA 69 -8.563 6.239 7.443 516 HB2 ALA 69 HB2 ALA 69 -8.179 7.057 5.930 517 HB3 ALA 69 HB3 ALA 69 -9.863 6.845 6.414 518 H ASP 70 H ASP 70 -7.956 7.625 9.742 519 HA ASP 70 HA ASP 70 -5.485 9.129 9.756 520 HB2 ASP 70 HB2 ASP 70 -7.182 8.083 11.710 521 HB3 ASP 70 HB3 ASP 70 -5.739 7.087 11.821 522 H MET 71 H MET 71 -3.732 8.378 8.700 523 HA MET 71 HA MET 71 -3.480 5.462 8.457 524 HB2 MET 71 HB2 MET 71 -2.474 7.552 6.549 525 HB3 MET 71 HB3 MET 71 -2.331 5.808 6.355 526 HG2 MET 71 HG2 MET 71 -4.533 5.544 5.837 527 HG3 MET 71 HG3 MET 71 -5.029 6.985 6.723 528 HE1 MET 71 HE1 MET 71 -6.217 7.985 3.243 529 HE2 MET 71 HE2 MET 71 -6.461 8.314 4.960 530 HE3 MET 71 HE3 MET 71 -6.484 6.652 4.375 531 H GLU 72 H GLU 72 -1.225 4.747 8.014 532 HA GLU 72 HA GLU 72 0.933 6.352 9.048 533 HB2 GLU 72 HB2 GLU 72 0.284 5.596 11.182 534 HB3 GLU 72 HB3 GLU 72 -0.258 4.038 10.576 535 HG2 GLU 72 HG2 GLU 72 2.200 3.570 10.079 536 HG3 GLU 72 HG3 GLU 72 2.547 4.970 11.086 537 H THR 73 H THR 73 2.908 5.566 8.256 538 HA THR 73 HA THR 73 2.670 3.292 6.415 539 HB THR 73 HB THR 73 4.635 4.093 5.308 540 HG1 THR 73 HG1 THR 73 6.008 5.482 6.197 541 HG21 THR 73 HG21 THR 73 2.279 5.547 5.456 542 HG22 THR 73 HG22 THR 73 3.529 5.703 4.227 543 HG23 THR 73 HG23 THR 73 3.545 6.760 5.638 544 H MET 74 H MET 74 4.882 2.084 6.189 545 HA MET 74 HA MET 74 5.376 0.869 8.724 546 HB2 MET 74 HB2 MET 74 6.506 0.484 5.964 547 HB3 MET 74 HB3 MET 74 7.222 -0.324 7.347 548 HG2 MET 74 HG2 MET 74 5.018 -1.333 7.841 549 HG3 MET 74 HG3 MET 74 4.400 -0.608 6.361 550 HE1 MET 74 HE1 MET 74 4.407 -3.722 7.244 551 HE2 MET 74 HE2 MET 74 4.806 -4.531 5.728 552 HE3 MET 74 HE3 MET 74 3.647 -3.207 5.736 553 H GLY 75 H GLY 75 6.648 3.568 7.113 554 HA2 GLY 75 HA2 GLY 75 9.286 3.438 8.301 555 HA3 GLY 75 HA3 GLY 75 8.637 4.749 7.324 556 H GLY 76 H GLY 76 6.248 4.285 9.389 557 HA2 GLY 76 HA2 GLY 76 5.825 4.960 11.609 558 HA3 GLY 76 HA3 GLY 76 7.434 5.662 11.678 559 H ARG 77 H ARG 77 5.312 6.321 8.981 560 HA ARG 77 HA ARG 77 5.291 9.132 9.756 561 HB2 ARG 77 HB2 ARG 77 4.142 7.927 7.245 562 HB3 ARG 77 HB3 ARG 77 4.559 9.607 7.524 563 HG2 ARG 77 HG2 ARG 77 6.902 9.051 7.586 564 HG3 ARG 77 HG3 ARG 77 6.524 7.340 7.397 565 HD2 ARG 77 HD2 ARG 77 6.756 7.683 5.209 566 HD3 ARG 77 HD3 ARG 77 5.197 8.494 5.292 567 HE ARG 77 HE ARG 77 6.367 10.598 5.415 568 HH11 ARG 77 HH11 ARG 77 8.350 7.806 4.605 569 HH12 ARG 77 HH12 ARG 77 9.601 8.799 3.774 570 HH21 ARG 77 HH21 ARG 77 7.947 11.884 4.382 571 HH22 ARG 77 HH22 ARG 77 9.374 11.068 3.643 572 H LYS 78 H LYS 78 3.642 10.013 10.785 573 HA LYS 78 HA LYS 78 1.063 8.603 10.837 574 HB2 LYS 78 HB2 LYS 78 1.953 10.924 12.570 575 HB3 LYS 78 HB3 LYS 78 0.574 9.866 12.832 576 HG2 LYS 78 HG2 LYS 78 3.415 8.902 12.866 577 HG3 LYS 78 HG3 LYS 78 2.563 9.459 14.306 578 HD2 LYS 78 HD2 LYS 78 0.809 7.730 13.811 579 HD3 LYS 78 HD3 LYS 78 1.881 7.111 12.546 580 HE2 LYS 78 HE2 LYS 78 3.470 6.402 14.072 581 HE3 LYS 78 HE3 LYS 78 2.886 7.470 15.344 582 HZ1 LYS 78 HZ1 LYS 78 2.206 5.315 15.938 583 HZ2 LYS 78 HZ2 LYS 78 1.669 4.944 14.371 584 HZ3 LYS 78 HZ3 LYS 78 0.815 6.057 15.323 585 H PHE 79 H PHE 79 -0.553 9.396 9.589 586 HA PHE 79 HA PHE 79 -0.783 12.248 9.171 587 HB2 PHE 79 HB2 PHE 79 -0.615 12.107 6.709 588 HB3 PHE 79 HB3 PHE 79 0.892 11.671 7.513 589 HD1 PHE 79 HD1 PHE 79 1.659 9.396 7.595 590 HD2 PHE 79 HD2 PHE 79 -1.834 10.468 5.422 591 HE1 PHE 79 HE1 PHE 79 1.758 7.261 6.409 592 HE2 PHE 79 HE2 PHE 79 -1.753 8.322 4.228 593 HZ PHE 79 HZ PHE 79 0.046 6.706 4.721 594 H LYS 80 H LYS 80 -2.592 12.701 7.531 595 HA LYS 80 HA LYS 80 -4.704 10.664 7.669 596 HB2 LYS 80 HB2 LYS 80 -4.997 13.601 8.365 597 HB3 LYS 80 HB3 LYS 80 -6.346 12.502 8.130 598 HG2 LYS 80 HG2 LYS 80 -6.196 12.444 10.393 599 HG3 LYS 80 HG3 LYS 80 -5.087 11.129 10.010 600 HD2 LYS 80 HD2 LYS 80 -3.189 12.520 10.331 601 HD3 LYS 80 HD3 LYS 80 -4.192 13.974 10.395 602 HE2 LYS 80 HE2 LYS 80 -3.931 13.693 12.623 603 HE3 LYS 80 HE3 LYS 80 -5.281 12.581 12.412 604 HZ1 LYS 80 HZ1 LYS 80 -2.448 11.722 12.287 605 HZ2 LYS 80 HZ2 LYS 80 -3.821 10.738 12.417 606 HZ3 LYS 80 HZ3 LYS 80 -3.347 11.713 13.719 607 H ALA 81 H ALA 81 -5.948 10.539 5.843 608 HA ALA 81 HA ALA 81 -5.765 12.638 3.833 609 HB1 ALA 81 HB1 ALA 81 -5.111 10.922 2.090 610 HB2 ALA 81 HB2 ALA 81 -4.646 9.879 3.436 611 HB3 ALA 81 HB3 ALA 81 -3.842 11.431 3.204 612 H THR 82 H THR 82 -7.206 12.214 1.982 613 HA THR 82 HA THR 82 -9.570 10.701 2.855 614 HB THR 82 HB THR 82 -9.587 12.636 0.554 615 HG1 THR 82 HG1 THR 82 -8.648 13.468 2.707 616 HG21 THR 82 HG21 THR 82 -11.583 11.284 0.954 617 HG22 THR 82 HG22 THR 82 -11.905 12.978 1.316 618 HG23 THR 82 HG23 THR 82 -11.640 11.832 2.628 619 H VAL 83 H VAL 83 -10.473 9.133 1.580 620 HA VAL 83 HA VAL 83 -8.965 8.357 -0.832 621 HB VAL 83 HB VAL 83 -10.345 6.491 1.106 622 HG11 VAL 83 HG11 VAL 83 -10.214 5.711 -1.223 623 HG12 VAL 83 HG12 VAL 83 -9.265 4.719 -0.115 624 HG13 VAL 83 HG13 VAL 83 -8.460 5.888 -1.163 625 HG21 VAL 83 HG21 VAL 83 -8.327 7.640 2.043 626 HG22 VAL 83 HG22 VAL 83 -7.379 6.869 0.771 627 HG23 VAL 83 HG23 VAL 83 -8.215 5.884 1.971 628 H LYS 84 H LYS 84 -10.176 7.611 -2.589 629 HA LYS 84 HA LYS 84 -13.096 7.655 -2.314 630 HB2 LYS 84 HB2 LYS 84 -13.239 8.922 -4.474 631 HB3 LYS 84 HB3 LYS 84 -12.587 9.852 -3.131 632 HG2 LYS 84 HG2 LYS 84 -10.304 8.968 -4.129 633 HG3 LYS 84 HG3 LYS 84 -11.273 8.892 -5.602 634 HD2 LYS 84 HD2 LYS 84 -11.767 11.212 -5.491 635 HD3 LYS 84 HD3 LYS 84 -11.098 11.344 -3.862 636 HE2 LYS 84 HE2 LYS 84 -8.872 10.797 -4.736 637 HE3 LYS 84 HE3 LYS 84 -9.540 10.685 -6.365 638 HZ1 LYS 84 HZ1 LYS 84 -9.432 13.116 -4.660 639 HZ2 LYS 84 HZ2 LYS 84 -10.193 13.036 -6.167 640 HZ3 LYS 84 HZ3 LYS 84 -8.520 12.820 -6.053 641 H MET 85 H MET 85 -14.062 6.873 -4.540 642 HA MET 85 HA MET 85 -12.366 4.707 -5.593 643 HB2 MET 85 HB2 MET 85 -14.755 4.436 -4.046 644 HB3 MET 85 HB3 MET 85 -15.085 3.891 -5.677 645 HG2 MET 85 HG2 MET 85 -13.174 2.357 -5.529 646 HG3 MET 85 HG3 MET 85 -12.903 2.890 -3.868 647 HE1 MET 85 HE1 MET 85 -13.294 0.877 -2.346 648 HE2 MET 85 HE2 MET 85 -12.971 0.042 -3.872 649 HE3 MET 85 HE3 MET 85 -14.312 -0.477 -2.846 650 H GLU 86 H GLU 86 -12.364 4.530 -7.762 651 HA GLU 86 HA GLU 86 -14.520 5.841 -9.261 652 HB2 GLU 86 HB2 GLU 86 -12.654 6.563 -10.900 653 HB3 GLU 86 HB3 GLU 86 -12.921 7.515 -9.449 654 HG2 GLU 86 HG2 GLU 86 -11.004 6.655 -8.408 655 HG3 GLU 86 HG3 GLU 86 -10.857 5.338 -9.572 656 H GLY 87 H GLY 87 -15.467 4.113 -10.130 657 HA2 GLY 87 HA2 GLY 87 -15.779 2.445 -11.683 658 HA3 GLY 87 HA3 GLY 87 -14.152 2.751 -12.268 659 H GLY 88 H GLY 88 -15.033 1.853 -8.979 660 HA2 GLY 88 HA2 GLY 88 -14.723 -0.119 -7.819 661 HA3 GLY 88 HA3 GLY 88 -14.358 -0.916 -9.342 662 H LYS 89 H LYS 89 -12.616 1.941 -8.473 663 HA LYS 89 HA LYS 89 -10.309 0.305 -7.654 664 HB2 LYS 89 HB2 LYS 89 -10.077 2.801 -9.345 665 HB3 LYS 89 HB3 LYS 89 -8.807 1.655 -8.939 666 HG2 LYS 89 HG2 LYS 89 -10.218 -0.057 -10.225 667 HG3 LYS 89 HG3 LYS 89 -11.060 1.348 -10.878 668 HD2 LYS 89 HD2 LYS 89 -8.829 2.246 -11.587 669 HD3 LYS 89 HD3 LYS 89 -8.124 0.703 -11.105 670 HE2 LYS 89 HE2 LYS 89 -9.916 -0.328 -12.661 671 HE3 LYS 89 HE3 LYS 89 -10.012 1.292 -13.351 672 HZ1 LYS 89 HZ1 LYS 89 -7.612 -0.449 -13.199 673 HZ2 LYS 89 HZ2 LYS 89 -7.579 1.167 -13.705 674 HZ3 LYS 89 HZ3 LYS 89 -8.447 0.023 -14.597 675 H ILE 90 H ILE 90 -9.459 0.921 -5.777 676 HA ILE 90 HA ILE 90 -10.500 3.294 -4.484 677 HB ILE 90 HB ILE 90 -8.327 1.520 -3.368 678 HG12 ILE 90 HG12 ILE 90 -11.289 1.048 -3.558 679 HG13 ILE 90 HG13 ILE 90 -9.975 -0.091 -3.813 680 HG21 ILE 90 HG21 ILE 90 -8.740 3.629 -2.229 681 HG22 ILE 90 HG22 ILE 90 -9.229 2.263 -1.228 682 HG23 ILE 90 HG23 ILE 90 -10.448 3.219 -2.069 683 HD11 ILE 90 HD11 ILE 90 -9.532 -0.065 -1.382 684 HD12 ILE 90 HD12 ILE 90 -11.146 -0.648 -1.797 685 HD13 ILE 90 HD13 ILE 90 -10.935 0.989 -1.172 686 H VAL 91 H VAL 91 -9.632 5.206 -4.864 687 HA VAL 91 HA VAL 91 -6.732 5.356 -5.334 688 HB VAL 91 HB VAL 91 -7.904 5.961 -7.357 689 HG11 VAL 91 HG11 VAL 91 -9.384 7.958 -7.420 690 HG12 VAL 91 HG12 VAL 91 -9.375 7.954 -5.655 691 HG13 VAL 91 HG13 VAL 91 -10.053 6.587 -6.536 692 HG21 VAL 91 HG21 VAL 91 -6.925 8.511 -6.089 693 HG22 VAL 91 HG22 VAL 91 -6.911 8.083 -7.802 694 HG23 VAL 91 HG23 VAL 91 -5.860 7.233 -6.669 695 H ALA 92 H ALA 92 -5.567 6.612 -4.058 696 HA ALA 92 HA ALA 92 -6.987 8.223 -2.047 697 HB1 ALA 92 HB1 ALA 92 -5.297 7.742 -0.528 698 HB2 ALA 92 HB2 ALA 92 -4.137 7.343 -1.792 699 HB3 ALA 92 HB3 ALA 92 -5.461 6.235 -1.427 700 H ASP 93 H ASP 93 -6.348 10.340 -1.644 701 HA ASP 93 HA ASP 93 -4.842 11.578 -3.829 702 HB2 ASP 93 HB2 ASP 93 -6.992 12.557 -3.533 703 HB3 ASP 93 HB3 ASP 93 -6.766 12.699 -1.795 704 H PHE 94 H PHE 94 -2.850 12.182 -3.563 705 HA PHE 94 HA PHE 94 -1.874 13.160 -0.990 706 HB2 PHE 94 HB2 PHE 94 -0.770 10.755 -2.429 707 HB3 PHE 94 HB3 PHE 94 0.194 11.685 -1.289 708 HD1 PHE 94 HD1 PHE 94 -0.496 11.785 1.087 709 HD2 PHE 94 HD2 PHE 94 -2.357 9.183 -1.716 710 HE1 PHE 94 HE1 PHE 94 -1.419 10.460 2.941 711 HE2 PHE 94 HE2 PHE 94 -3.299 7.866 0.135 712 HZ PHE 94 HZ PHE 94 -2.828 8.502 2.463 713 HA PRO 95 HA PRO 95 0.423 15.859 -3.654 714 HB2 PRO 95 HB2 PRO 95 2.586 16.417 -2.077 715 HB3 PRO 95 HB3 PRO 95 0.979 17.110 -1.796 716 HG2 PRO 95 HG2 PRO 95 2.317 14.846 -0.415 717 HG3 PRO 95 HG3 PRO 95 1.288 16.134 0.247 718 HD2 PRO 95 HD2 PRO 95 0.383 13.612 -0.230 719 HD3 PRO 95 HD3 PRO 95 -0.651 15.053 -0.305 720 H ASN 96 H ASN 96 1.347 14.995 -5.400 721 HA ASN 96 HA ASN 96 2.796 14.002 -6.803 722 HB2 ASN 96 HB2 ASN 96 4.530 14.436 -4.409 723 HB3 ASN 96 HB3 ASN 96 5.119 13.460 -5.738 724 HD21 ASN 96 HD21 ASN 96 6.685 14.819 -6.434 725 HD22 ASN 96 HD22 ASN 96 6.358 16.376 -7.126 726 H TYR 97 H TYR 97 1.208 12.457 -4.576 727 HA TYR 97 HA TYR 97 2.390 9.839 -5.258 728 HB2 TYR 97 HB2 TYR 97 2.726 10.649 -2.824 729 HB3 TYR 97 HB3 TYR 97 1.007 10.371 -2.631 730 HD1 TYR 97 HD1 TYR 97 0.178 7.965 -3.339 731 HD2 TYR 97 HD2 TYR 97 4.200 8.944 -2.359 732 HE1 TYR 97 HE1 TYR 97 0.630 5.599 -2.849 733 HE2 TYR 97 HE2 TYR 97 4.659 6.586 -1.868 734 HH TYR 97 HH TYR 97 2.641 4.075 -2.783 735 H HIS 98 H HIS 98 1.037 8.504 -6.153 736 HA HIS 98 HA HIS 98 -1.860 9.036 -6.016 737 HB2 HIS 98 HB2 HIS 98 -0.959 9.785 -8.170 738 HB3 HIS 98 HB3 HIS 98 -0.187 8.228 -8.416 739 HD1 HIS 98 HD1 HIS 98 -3.582 9.862 -8.426 740 HD2 HIS 98 HD2 HIS 98 -1.776 6.301 -9.568 741 HE1 HIS 98 HE1 HIS 98 -5.268 8.684 -9.855 742 HE2 HIS 98 HE2 HIS 98 -4.099 6.597 -10.658 743 H HIS 99 H HIS 99 -2.457 7.417 -4.668 744 HA HIS 99 HA HIS 99 -1.386 4.718 -5.095 745 HB2 HIS 99 HB2 HIS 99 -1.334 5.725 -2.800 746 HB3 HIS 99 HB3 HIS 99 -3.091 5.772 -2.818 747 HD2 HIS 99 HD2 HIS 99 -4.078 2.930 -3.390 748 HE1 HIS 99 HE1 HIS 99 -1.083 1.543 -0.743 749 HE2 HIS 99 HE2 HIS 99 -3.135 0.905 -2.082 750 H THR 100 H THR 100 -2.536 3.327 -6.246 751 HA THR 100 HA THR 100 -5.464 3.446 -6.111 752 HB THR 100 HB THR 100 -5.484 2.797 -8.567 753 HG1 THR 100 HG1 THR 100 -2.784 3.083 -8.140 754 HG21 THR 100 HG21 THR 100 -5.215 5.135 -9.301 755 HG22 THR 100 HG22 THR 100 -4.437 5.499 -7.759 756 HG23 THR 100 HG23 THR 100 -6.129 5.006 -7.798 757 H ALA 101 H ALA 101 -6.384 1.569 -5.689 758 HA ALA 101 HA ALA 101 -4.817 -0.896 -6.122 759 HB1 ALA 101 HB1 ALA 101 -5.943 -1.825 -4.137 760 HB2 ALA 101 HB2 ALA 101 -6.738 -0.269 -3.880 761 HB3 ALA 101 HB3 ALA 101 -4.984 -0.394 -3.755 762 H GLU 102 H GLU 102 -5.749 -2.455 -7.302 763 HA GLU 102 HA GLU 102 -8.639 -2.591 -7.554 764 HB2 GLU 102 HB2 GLU 102 -8.659 -2.493 -9.960 765 HB3 GLU 102 HB3 GLU 102 -7.896 -1.024 -9.349 766 HG2 GLU 102 HG2 GLU 102 -5.686 -2.081 -9.775 767 HG3 GLU 102 HG3 GLU 102 -6.529 -3.438 -10.517 768 H ILE 103 H ILE 103 -9.201 -4.461 -9.078 769 HA ILE 103 HA ILE 103 -7.380 -6.696 -8.503 770 HB ILE 103 HB ILE 103 -10.365 -6.788 -8.976 771 HG12 ILE 103 HG12 ILE 103 -9.809 -5.746 -6.804 772 HG13 ILE 103 HG13 ILE 103 -10.584 -7.311 -6.601 773 HG21 ILE 103 HG21 ILE 103 -9.096 -8.785 -9.695 774 HG22 ILE 103 HG22 ILE 103 -10.238 -9.114 -8.392 775 HG23 ILE 103 HG23 ILE 103 -8.515 -8.966 -8.042 776 HD11 ILE 103 HD11 ILE 103 -7.609 -6.936 -6.493 777 HD12 ILE 103 HD12 ILE 103 -8.549 -8.345 -5.995 778 HD13 ILE 103 HD13 ILE 103 -8.652 -6.842 -5.075 779 H SER 104 H SER 104 -6.374 -7.460 -10.255 780 HA SER 104 HA SER 104 -7.797 -7.356 -12.826 781 HB2 SER 104 HB2 SER 104 -4.937 -6.552 -12.284 782 HB3 SER 104 HB3 SER 104 -5.579 -6.831 -13.905 783 HG SER 104 HG SER 104 -6.751 -5.013 -12.073 784 H GLY 105 H GLY 105 -8.200 -9.416 -13.226 785 HA2 GLY 105 HA2 GLY 105 -7.719 -11.572 -13.907 786 HA3 GLY 105 HA3 GLY 105 -6.013 -11.254 -13.609 787 H GLY 106 H GLY 106 -8.455 -10.660 -11.219 788 HA2 GLY 106 HA2 GLY 106 -8.988 -11.718 -9.247 789 HA3 GLY 106 HA3 GLY 106 -8.200 -13.162 -9.868 790 H LYS 107 H LYS 107 -6.531 -10.127 -9.740 791 HA LYS 107 HA LYS 107 -5.084 -10.909 -7.316 792 HB2 LYS 107 HB2 LYS 107 -4.005 -10.705 -10.053 793 HB3 LYS 107 HB3 LYS 107 -3.054 -9.894 -8.813 794 HG2 LYS 107 HG2 LYS 107 -2.786 -11.911 -7.583 795 HG3 LYS 107 HG3 LYS 107 -3.936 -12.763 -8.610 796 HD2 LYS 107 HD2 LYS 107 -2.416 -12.543 -10.505 797 HD3 LYS 107 HD3 LYS 107 -1.270 -11.661 -9.493 798 HE2 LYS 107 HE2 LYS 107 -1.210 -13.681 -7.991 799 HE3 LYS 107 HE3 LYS 107 -2.130 -14.535 -9.228 800 HZ1 LYS 107 HZ1 LYS 107 0.491 -14.581 -9.161 801 HZ2 LYS 107 HZ2 LYS 107 0.312 -13.165 -10.074 802 HZ3 LYS 107 HZ3 LYS 107 -0.359 -14.617 -10.623 803 H LEU 108 H LEU 108 -4.275 -9.240 -6.122 804 HA LEU 108 HA LEU 108 -5.406 -6.623 -6.645 805 HB2 LEU 108 HB2 LEU 108 -5.301 -7.749 -4.362 806 HB3 LEU 108 HB3 LEU 108 -3.572 -7.480 -4.397 807 HG LEU 108 HG LEU 108 -5.000 -5.861 -3.046 808 HD11 LEU 108 HD11 LEU 108 -2.672 -5.414 -3.531 809 HD12 LEU 108 HD12 LEU 108 -3.620 -3.929 -3.627 810 HD13 LEU 108 HD13 LEU 108 -3.112 -4.746 -5.104 811 HD21 LEU 108 HD21 LEU 108 -5.570 -4.697 -5.763 812 HD22 LEU 108 HD22 LEU 108 -6.051 -4.034 -4.199 813 HD23 LEU 108 HD23 LEU 108 -6.746 -5.553 -4.765 814 H VAL 109 H VAL 109 -4.386 -5.289 -7.941 815 HA VAL 109 HA VAL 109 -1.447 -5.267 -7.843 816 HB VAL 109 HB VAL 109 -1.997 -6.103 -10.000 817 HG11 VAL 109 HG11 VAL 109 -3.536 -5.040 -11.543 818 HG12 VAL 109 HG12 VAL 109 -3.879 -3.775 -10.365 819 HG13 VAL 109 HG13 VAL 109 -4.364 -5.439 -10.035 820 HG21 VAL 109 HG21 VAL 109 -0.221 -4.479 -10.003 821 HG22 VAL 109 HG22 VAL 109 -1.380 -3.164 -10.191 822 HG23 VAL 109 HG23 VAL 109 -1.155 -4.333 -11.492 823 H GLU 110 H GLU 110 -0.872 -3.577 -6.710 824 HA GLU 110 HA GLU 110 -2.512 -1.159 -6.763 825 HB2 GLU 110 HB2 GLU 110 -1.667 -2.386 -4.618 826 HB3 GLU 110 HB3 GLU 110 -0.144 -1.583 -4.967 827 HG2 GLU 110 HG2 GLU 110 -2.679 -0.014 -4.812 828 HG3 GLU 110 HG3 GLU 110 -1.813 -0.478 -3.347 829 H ILE 111 H ILE 111 -1.807 0.737 -7.515 830 HA ILE 111 HA ILE 111 0.927 0.869 -8.603 831 HB ILE 111 HB ILE 111 -1.566 2.012 -9.882 832 HG12 ILE 111 HG12 ILE 111 -0.460 0.346 -11.723 833 HG13 ILE 111 HG13 ILE 111 -0.081 -0.512 -10.239 834 HG21 ILE 111 HG21 ILE 111 -0.005 2.499 -11.777 835 HG22 ILE 111 HG22 ILE 111 1.333 2.102 -10.696 836 HG23 ILE 111 HG23 ILE 111 0.270 3.461 -10.324 837 HD11 ILE 111 HD11 ILE 111 -2.860 0.418 -10.857 838 HD12 ILE 111 HD12 ILE 111 -2.334 -0.794 -9.691 839 HD13 ILE 111 HD13 ILE 111 -2.235 -1.132 -11.420 840 H SER 112 H SER 112 2.023 2.450 -7.722 841 HA SER 112 HA SER 112 0.587 4.801 -6.682 842 HB2 SER 112 HB2 SER 112 2.766 4.496 -4.992 843 HB3 SER 112 HB3 SER 112 1.094 4.113 -4.601 844 HG SER 112 HG SER 112 1.452 1.995 -5.021 845 H THR 113 H THR 113 1.249 6.503 -7.707 846 HA THR 113 HA THR 113 3.849 6.559 -8.978 847 HB THR 113 HB THR 113 2.178 8.977 -9.040 848 HG1 THR 113 HG1 THR 113 1.023 7.443 -10.802 849 HG21 THR 113 HG21 THR 113 3.517 7.224 -11.084 850 HG22 THR 113 HG22 THR 113 4.154 8.727 -10.411 851 HG23 THR 113 HG23 THR 113 2.722 8.757 -11.447 852 H SER 114 H SER 114 5.516 7.839 -8.423 853 HA SER 114 HA SER 114 5.160 9.629 -6.130 854 HB2 SER 114 HB2 SER 114 7.515 8.888 -5.448 855 HB3 SER 114 HB3 SER 114 6.215 7.727 -5.177 856 HG SER 114 HG SER 114 6.831 6.752 -7.192 857 H SER 115 H SER 115 5.200 11.483 -7.285 858 HA SER 115 HA SER 115 5.998 13.223 -8.505 859 HB2 SER 115 HB2 SER 115 8.697 12.114 -7.687 860 HB3 SER 115 HB3 SER 115 8.349 13.769 -8.183 861 HG SER 115 HG SER 115 8.451 13.346 -5.844 862 H GLY 116 H GLY 116 5.535 10.713 -9.951 863 HA2 GLY 116 HA2 GLY 116 5.700 10.795 -12.402 864 HA3 GLY 116 HA3 GLY 116 7.397 11.193 -12.196 865 H VAL 117 H VAL 117 7.688 9.172 -10.013 866 HA VAL 117 HA VAL 117 8.255 6.929 -11.748 867 HB VAL 117 HB VAL 117 8.639 7.239 -8.762 868 HG11 VAL 117 HG11 VAL 117 8.453 4.894 -9.322 869 HG12 VAL 117 HG12 VAL 117 10.138 5.278 -8.979 870 HG13 VAL 117 HG13 VAL 117 9.600 5.086 -10.647 871 HG21 VAL 117 HG21 VAL 117 9.988 8.766 -10.193 872 HG22 VAL 117 HG22 VAL 117 10.681 7.349 -10.983 873 HG23 VAL 117 HG23 VAL 117 10.963 7.625 -9.266 874 H VAL 118 H VAL 118 6.958 5.237 -12.098 875 HA VAL 118 HA VAL 118 4.541 4.988 -10.456 876 HB VAL 118 HB VAL 118 5.169 3.679 -13.108 877 HG11 VAL 118 HG11 VAL 118 3.573 2.389 -11.799 878 HG12 VAL 118 HG12 VAL 118 2.758 3.174 -13.151 879 HG13 VAL 118 HG13 VAL 118 2.601 3.833 -11.523 880 HG21 VAL 118 HG21 VAL 118 3.820 5.319 -14.145 881 HG22 VAL 118 HG22 VAL 118 4.932 6.199 -13.094 882 HG23 VAL 118 HG23 VAL 118 3.260 5.942 -12.596 883 H TYR 119 H TYR 119 4.714 3.673 -8.808 884 HA TYR 119 HA TYR 119 6.369 1.262 -8.993 885 HB2 TYR 119 HB2 TYR 119 6.808 2.614 -7.044 886 HB3 TYR 119 HB3 TYR 119 5.097 2.699 -6.657 887 HD1 TYR 119 HD1 TYR 119 7.609 -0.015 -7.287 888 HD2 TYR 119 HD2 TYR 119 4.466 1.472 -4.834 889 HE1 TYR 119 HE1 TYR 119 7.844 -1.966 -5.814 890 HE2 TYR 119 HE2 TYR 119 4.691 -0.481 -3.356 891 HH TYR 119 HH TYR 119 7.301 -2.791 -3.753 892 H LYS 120 H LYS 120 5.476 -0.726 -9.145 893 HA LYS 120 HA LYS 120 2.585 -0.963 -8.651 894 HB2 LYS 120 HB2 LYS 120 4.220 -2.188 -10.867 895 HB3 LYS 120 HB3 LYS 120 2.548 -2.587 -10.523 896 HG2 LYS 120 HG2 LYS 120 1.772 -0.502 -11.214 897 HG3 LYS 120 HG3 LYS 120 3.367 0.235 -11.063 898 HD2 LYS 120 HD2 LYS 120 2.899 -0.054 -13.386 899 HD3 LYS 120 HD3 LYS 120 4.142 -1.219 -12.921 900 HE2 LYS 120 HE2 LYS 120 1.977 -2.717 -12.484 901 HE3 LYS 120 HE3 LYS 120 1.325 -1.653 -13.728 902 HZ1 LYS 120 HZ1 LYS 120 3.911 -3.044 -14.091 903 HZ2 LYS 120 HZ2 LYS 120 2.891 -2.374 -15.270 904 HZ3 LYS 120 HZ3 LYS 120 2.439 -3.797 -14.476 905 H ARG 121 H ARG 121 1.861 -2.841 -7.715 906 HA ARG 121 HA ARG 121 3.796 -4.950 -7.136 907 HB2 ARG 121 HB2 ARG 121 2.854 -4.904 -4.709 908 HB3 ARG 121 HB3 ARG 121 4.130 -3.783 -5.160 909 HG2 ARG 121 HG2 ARG 121 2.467 -2.024 -5.500 910 HG3 ARG 121 HG3 ARG 121 1.191 -3.148 -5.039 911 HD2 ARG 121 HD2 ARG 121 1.935 -3.258 -2.815 912 HD3 ARG 121 HD3 ARG 121 3.494 -2.541 -3.218 913 HE ARG 121 HE ARG 121 1.462 -0.704 -3.856 914 HH11 ARG 121 HH11 ARG 121 2.939 -2.223 -1.049 915 HH12 ARG 121 HH12 ARG 121 2.660 -0.788 0.006 916 HH21 ARG 121 HH21 ARG 121 1.056 1.081 -2.588 917 HH22 ARG 121 HH22 ARG 121 1.587 1.075 -0.856 918 H THR 122 H THR 122 2.897 -6.826 -7.584 919 HA THR 122 HA THR 122 -0.028 -7.075 -7.630 920 HB THR 122 HB THR 122 2.026 -9.040 -8.651 921 HG1 THR 122 HG1 THR 122 1.854 -6.764 -9.646 922 HG21 THR 122 HG21 THR 122 -0.133 -10.040 -8.301 923 HG22 THR 122 HG22 THR 122 0.120 -9.825 -10.034 924 HG23 THR 122 HG23 THR 122 -0.930 -8.715 -9.155 925 H SER 123 H SER 123 -1.077 -8.217 -6.117 926 HA SER 123 HA SER 123 0.510 -10.047 -4.431 927 HB2 SER 123 HB2 SER 123 -1.870 -8.507 -3.421 928 HB3 SER 123 HB3 SER 123 -0.593 -9.298 -2.490 929 HG SER 123 HG SER 123 0.156 -7.277 -4.261 930 H LYS 124 H LYS 124 -0.369 -12.017 -3.983 931 HA LYS 124 HA LYS 124 -2.651 -12.808 -5.571 932 HB2 LYS 124 HB2 LYS 124 -2.141 -15.072 -4.854 933 HB3 LYS 124 HB3 LYS 124 -0.674 -14.270 -5.400 934 HG2 LYS 124 HG2 LYS 124 0.040 -13.929 -3.119 935 HG3 LYS 124 HG3 LYS 124 -1.485 -14.582 -2.514 936 HD2 LYS 124 HD2 LYS 124 -0.883 -16.718 -3.767 937 HD3 LYS 124 HD3 LYS 124 0.736 -16.029 -3.938 938 HE2 LYS 124 HE2 LYS 124 -0.496 -16.067 -1.231 939 HE3 LYS 124 HE3 LYS 124 0.093 -17.591 -1.889 940 HZ1 LYS 124 HZ1 LYS 124 1.835 -15.236 -1.975 941 HZ2 LYS 124 HZ2 LYS 124 2.242 -16.868 -1.862 942 HZ3 LYS 124 HZ3 LYS 124 1.644 -16.055 -0.502 943 H LYS 125 H LYS 125 -4.565 -13.749 -4.742 944 HA LYS 125 HA LYS 125 -5.309 -12.659 -2.123 945 HB2 LYS 125 HB2 LYS 125 -6.640 -12.409 -4.396 946 HB3 LYS 125 HB3 LYS 125 -7.277 -13.989 -3.943 947 HG2 LYS 125 HG2 LYS 125 -7.436 -11.477 -2.274 948 HG3 LYS 125 HG3 LYS 125 -8.744 -12.157 -3.236 949 HD2 LYS 125 HD2 LYS 125 -7.608 -14.115 -1.426 950 HD3 LYS 125 HD3 LYS 125 -8.199 -12.689 -0.571 951 HE2 LYS 125 HE2 LYS 125 -9.959 -14.323 -0.721 952 HE3 LYS 125 HE3 LYS 125 -10.363 -12.945 -1.744 953 HZ1 LYS 125 HZ1 LYS 125 -9.425 -15.629 -2.574 954 HZ2 LYS 125 HZ2 LYS 125 -9.390 -14.305 -3.619 955 HZ3 LYS 125 HZ3 LYS 125 -10.863 -14.845 -2.996 956 H ILE 126 H ILE 126 -5.423 -13.911 -0.416 957 HA ILE 126 HA ILE 126 -6.125 -16.729 -0.707 958 HB ILE 126 HB ILE 126 -4.173 -16.345 1.401 959 HG12 ILE 126 HG12 ILE 126 -2.328 -16.552 -0.563 960 HG13 ILE 126 HG13 ILE 126 -3.463 -15.463 -1.347 961 HG21 ILE 126 HG21 ILE 126 -3.371 -18.436 0.652 962 HG22 ILE 126 HG22 ILE 126 -4.111 -18.233 -0.935 963 HG23 ILE 126 HG23 ILE 126 -5.127 -18.475 0.490 964 HD11 ILE 126 HD11 ILE 126 -3.249 -13.877 0.438 965 HD12 ILE 126 HD12 ILE 126 -1.643 -14.308 -0.155 966 HD13 ILE 126 HD13 ILE 126 -2.240 -14.994 1.357 967 H ALA 127 H ALA 127 -6.602 -17.674 1.568 968 HA ALA 127 HA ALA 127 -7.538 -15.597 3.387 969 HB1 ALA 127 HB1 ALA 127 -9.722 -16.561 3.621 970 HB2 ALA 127 HB2 ALA 127 -9.300 -17.892 2.546 971 HB3 ALA 127 HB3 ALA 127 -9.437 -16.255 1.907 972 H11 CHO 200 H11 CHO 200 6.702 -0.085 -1.455 973 H12 CHO 200 H12 CHO 200 7.241 -1.220 -0.185 974 H21 CHO 200 H21 CHO 200 5.355 -0.553 1.240 975 H22 CHO 200 H22 CHO 200 4.772 -1.126 -0.349 976 H3 CHO 200 H3 CHO 200 4.529 1.196 -1.118 977 HO3 CHO 200 HO3 CHO 200 2.798 1.779 0.348 978 H41 CHO 200 H41 CHO 200 5.407 1.912 1.720 979 H42 CHO 200 H42 CHO 200 4.866 3.062 0.472 980 H5 CHO 200 H5 CHO 200 6.744 2.367 -0.980 981 H61 CHO 200 H61 CHO 200 7.002 4.258 0.628 982 H62 CHO 200 H62 CHO 200 8.541 3.418 0.338 983 H7 CHO 200 H7 CHO 200 8.225 3.829 2.749 984 HO7 CHO 200 HO7 CHO 200 6.422 2.754 3.812 985 H8 CHO 200 H8 CHO 200 9.398 1.799 2.067 986 H9 CHO 200 H9 CHO 200 6.643 0.496 2.219 987 H111 CHO 200 H111 CHO 200 9.332 -0.751 1.575 988 H112 CHO 200 H112 CHO 200 7.734 -1.567 1.612 989 H121 CHO 200 H121 CHO 200 9.060 -1.990 3.677 990 H122 CHO 200 H122 CHO 200 7.534 -1.147 4.008 991 H14 CHO 200 H14 CHO 200 7.467 1.403 4.312 992 H151 CHO 200 H151 CHO 200 8.838 3.269 5.026 993 H152 CHO 200 H152 CHO 200 10.270 2.681 4.253 994 H161 CHO 200 H161 CHO 200 9.082 1.897 6.886 995 H162 CHO 200 H162 CHO 200 10.728 1.640 6.350 996 H17 CHO 200 H17 CHO 200 8.372 -0.218 6.132 997 H181 CHO 200 H181 CHO 200 10.975 1.280 3.541 998 H182 CHO 200 H182 CHO 200 10.710 -0.193 2.578 999 H183 CHO 200 H183 CHO 200 11.406 -0.310 4.212 1000 H191 CHO 200 H191 CHO 200 9.201 1.995 -0.433 1001 H192 CHO 200 H192 CHO 200 8.927 0.461 -1.293 1002 H193 CHO 200 H193 CHO 200 9.643 0.453 0.336 1003 H20 CHO 200 H20 CHO 200 11.303 -0.696 5.869 1004 H211 CHO 200 H211 CHO 200 9.798 -2.938 6.790 1005 H212 CHO 200 H212 CHO 200 10.736 -2.774 5.286 1006 H213 CHO 200 H213 CHO 200 9.015 -2.325 5.314 1007 H221 CHO 200 H221 CHO 200 9.386 -0.946 8.218 1008 H222 CHO 200 H222 CHO 200 10.723 0.234 8.046 1009 H231 CHO 200 H231 CHO 200 12.330 -1.671 7.926 1010 H232 CHO 200 H232 CHO 200 10.972 -2.786 8.249 1011 HN CHO 200 HN CHO 200 11.803 -3.551 10.245 1012 H261 CHO 200 H261 CHO 200 11.815 -1.532 12.423 1013 H262 CHO 200 H262 CHO 200 12.918 -2.935 12.346 1014 H11 CHO 201 H11 CHO 201 -6.517 4.468 0.575 1015 H12 CHO 201 H12 CHO 201 -5.122 5.276 -0.200 1016 H21 CHO 201 H21 CHO 201 -4.223 3.109 -0.899 1017 H22 CHO 201 H22 CHO 201 -5.897 3.311 -1.492 1018 H3 CHO 201 H3 CHO 201 -6.743 1.929 0.356 1019 HO3 CHO 201 HO3 CHO 201 -6.043 0.843 -1.576 1020 H41 CHO 201 H41 CHO 201 -3.794 1.635 1.099 1021 H42 CHO 201 H42 CHO 201 -5.158 0.798 1.880 1022 H5 CHO 201 H5 CHO 201 -6.118 2.987 2.536 1023 H61 CHO 201 H61 CHO 201 -4.550 1.763 4.044 1024 H62 CHO 201 H62 CHO 201 -4.470 3.528 4.269 1025 H7 CHO 201 H7 CHO 201 -2.210 2.599 4.200 1026 HO7 CHO 201 HO7 CHO 201 -1.494 1.534 2.231 1027 H8 CHO 201 H8 CHO 201 -2.530 4.799 3.235 1028 H9 CHO 201 H9 CHO 201 -2.963 3.307 0.608 1029 H111 CHO 201 H111 CHO 201 -2.978 6.292 1.139 1030 H112 CHO 201 H112 CHO 201 -3.227 5.449 -0.431 1031 H121 CHO 201 H121 CHO 201 -0.929 6.400 -0.192 1032 H122 CHO 201 H122 CHO 201 -0.939 4.640 -0.417 1033 H14 CHO 201 H14 CHO 201 -0.768 3.038 1.574 1034 H151 CHO 201 H151 CHO 201 0.110 2.938 3.880 1035 H152 CHO 201 H152 CHO 201 -0.135 4.606 4.183 1036 H161 CHO 201 H161 CHO 201 1.853 3.254 2.279 1037 H162 CHO 201 H162 CHO 201 2.163 4.635 3.307 1038 H17 CHO 201 H17 CHO 201 1.349 4.689 0.526 1039 H181 CHO 201 H181 CHO 201 -0.763 7.358 2.065 1040 H182 CHO 201 H182 CHO 201 -0.132 6.379 3.411 1041 H183 CHO 201 H183 CHO 201 -1.842 6.245 2.938 1042 H191 CHO 201 H191 CHO 201 -4.781 6.324 1.988 1043 H192 CHO 201 H192 CHO 201 -4.205 5.358 3.368 1044 H193 CHO 201 H193 CHO 201 -5.926 5.328 2.918 1045 H20 CHO 201 H20 CHO 201 1.481 6.931 2.513 1046 H211 CHO 201 H211 CHO 201 1.107 6.782 -0.444 1047 H212 CHO 201 H212 CHO 201 2.178 8.052 0.194 1048 H213 CHO 201 H213 CHO 201 0.485 7.960 0.736 1049 H221 CHO 201 H221 CHO 201 3.591 5.786 0.651 1050 H222 CHO 201 H222 CHO 201 3.542 5.609 2.434 1051 H231 CHO 201 H231 CHO 201 3.670 8.076 2.656 1052 H232 CHO 201 H232 CHO 201 3.822 8.195 0.873 1053 HN CHO 201 HN CHO 201 5.259 5.716 3.045 1054 H261 CHO 201 H261 CHO 201 7.951 6.846 2.570 1055 H262 CHO 201 H262 CHO 201 7.599 5.151 2.159 Start of MODEL 6 1 H ALA 1 H ALA 1 -15.018 -7.052 -3.194 2 HA ALA 1 HA ALA 1 -14.089 -9.123 -3.956 3 HB1 ALA 1 HB1 ALA 1 -13.602 -7.532 -6.459 4 HB2 ALA 1 HB2 ALA 1 -14.484 -9.052 -6.276 5 HB3 ALA 1 HB3 ALA 1 -12.730 -9.020 -6.091 6 H PHE 2 H PHE 2 -13.409 -6.409 -2.639 7 HA PHE 2 HA PHE 2 -10.514 -6.417 -2.985 8 HB2 PHE 2 HB2 PHE 2 -12.456 -4.553 -1.656 9 HB3 PHE 2 HB3 PHE 2 -10.741 -4.477 -1.265 10 HD1 PHE 2 HD1 PHE 2 -9.221 -4.587 -3.509 11 HD2 PHE 2 HD2 PHE 2 -13.177 -3.051 -3.219 12 HE1 PHE 2 HE1 PHE 2 -8.821 -3.205 -5.497 13 HE2 PHE 2 HE2 PHE 2 -12.784 -1.663 -5.217 14 HZ PHE 2 HZ PHE 2 -10.601 -1.747 -6.354 15 H THR 3 H THR 3 -12.915 -7.583 -0.809 16 HA THR 3 HA THR 3 -11.342 -7.678 1.544 17 HB THR 3 HB THR 3 -13.459 -9.718 1.064 18 HG1 THR 3 HG1 THR 3 -15.049 -8.090 1.468 19 HG21 THR 3 HG21 THR 3 -13.152 -7.871 3.402 20 HG22 THR 3 HG22 THR 3 -12.074 -9.256 3.207 21 HG23 THR 3 HG23 THR 3 -13.818 -9.511 3.352 22 H GLY 4 H GLY 4 -10.020 -9.220 2.350 23 HA2 GLY 4 HA2 GLY 4 -9.626 -11.767 2.135 24 HA3 GLY 4 HA3 GLY 4 -9.241 -11.332 0.477 25 H LYS 5 H LYS 5 -7.350 -12.600 1.906 26 HA LYS 5 HA LYS 5 -5.507 -10.526 2.826 27 HB2 LYS 5 HB2 LYS 5 -4.509 -12.086 4.135 28 HB3 LYS 5 HB3 LYS 5 -6.001 -12.979 3.899 29 HG2 LYS 5 HG2 LYS 5 -4.885 -14.076 1.925 30 HG3 LYS 5 HG3 LYS 5 -3.382 -13.340 2.478 31 HD2 LYS 5 HD2 LYS 5 -5.060 -15.025 4.317 32 HD3 LYS 5 HD3 LYS 5 -3.894 -15.753 3.207 33 HE2 LYS 5 HE2 LYS 5 -2.652 -13.573 4.554 34 HE3 LYS 5 HE3 LYS 5 -3.422 -14.610 5.752 35 HZ1 LYS 5 HZ1 LYS 5 -2.255 -16.508 4.777 36 HZ2 LYS 5 HZ2 LYS 5 -1.175 -15.337 5.339 37 HZ3 LYS 5 HZ3 LYS 5 -1.472 -15.483 3.678 38 H TYR 6 H TYR 6 -3.558 -10.132 1.799 39 HA TYR 6 HA TYR 6 -3.187 -11.483 -0.792 40 HB2 TYR 6 HB2 TYR 6 -2.821 -8.524 -0.252 41 HB3 TYR 6 HB3 TYR 6 -2.547 -9.337 -1.787 42 HD1 TYR 6 HD1 TYR 6 -4.444 -10.220 -3.085 43 HD2 TYR 6 HD2 TYR 6 -5.041 -7.952 0.466 44 HE1 TYR 6 HE1 TYR 6 -6.792 -9.863 -3.710 45 HE2 TYR 6 HE2 TYR 6 -7.392 -7.595 -0.148 46 HH TYR 6 HH TYR 6 -8.944 -7.875 -1.702 47 H GLU 7 H GLU 7 -1.113 -11.942 -1.373 48 HA GLU 7 HA GLU 7 0.989 -11.179 0.541 49 HB2 GLU 7 HB2 GLU 7 0.391 -13.856 -0.696 50 HB3 GLU 7 HB3 GLU 7 2.007 -13.465 -0.107 51 HG2 GLU 7 HG2 GLU 7 1.253 -13.239 2.112 52 HG3 GLU 7 HG3 GLU 7 -0.444 -13.192 1.612 53 H PHE 8 H PHE 8 2.941 -10.663 -0.242 54 HA PHE 8 HA PHE 8 3.244 -9.391 -2.638 55 HB2 PHE 8 HB2 PHE 8 4.824 -8.977 -0.926 56 HB3 PHE 8 HB3 PHE 8 5.253 -10.675 -0.794 57 HD1 PHE 8 HD1 PHE 8 5.135 -8.227 -3.624 58 HD2 PHE 8 HD2 PHE 8 7.417 -11.045 -1.394 59 HE1 PHE 8 HE1 PHE 8 7.046 -7.873 -5.135 60 HE2 PHE 8 HE2 PHE 8 9.335 -10.693 -2.897 61 HZ PHE 8 HZ PHE 8 9.153 -9.104 -4.773 62 H GLU 9 H GLU 9 3.213 -10.046 -4.661 63 HA GLU 9 HA GLU 9 4.180 -12.755 -5.295 64 HB2 GLU 9 HB2 GLU 9 1.747 -12.391 -5.665 65 HB3 GLU 9 HB3 GLU 9 2.141 -11.110 -6.804 66 HG2 GLU 9 HG2 GLU 9 1.991 -12.706 -8.346 67 HG3 GLU 9 HG3 GLU 9 3.595 -13.183 -7.795 68 H SER 10 H SER 10 3.843 -9.470 -6.658 69 HA SER 10 HA SER 10 6.500 -9.711 -7.820 70 HB2 SER 10 HB2 SER 10 4.051 -9.110 -9.504 71 HB3 SER 10 HB3 SER 10 5.718 -9.010 -10.061 72 HG SER 10 HG SER 10 5.390 -11.392 -8.961 73 H ASP 11 H ASP 11 7.352 -7.640 -8.574 74 HA ASP 11 HA ASP 11 5.922 -5.244 -7.769 75 HB2 ASP 11 HB2 ASP 11 7.563 -4.435 -6.255 76 HB3 ASP 11 HB3 ASP 11 7.242 -6.082 -5.748 77 H GLU 12 H GLU 12 6.893 -3.330 -8.605 78 HA GLU 12 HA GLU 12 9.045 -3.667 -10.526 79 HB2 GLU 12 HB2 GLU 12 7.193 -4.191 -11.911 80 HB3 GLU 12 HB3 GLU 12 6.233 -2.909 -11.215 81 HG2 GLU 12 HG2 GLU 12 7.597 -1.237 -12.317 82 HG3 GLU 12 HG3 GLU 12 8.644 -2.500 -12.961 83 H ASN 13 H ASN 13 10.219 -1.883 -10.782 84 HA ASN 13 HA ASN 13 11.131 0.154 -10.397 85 HB2 ASN 13 HB2 ASN 13 8.215 0.843 -10.429 86 HB3 ASN 13 HB3 ASN 13 9.391 2.069 -9.971 87 HD21 ASN 13 HD21 ASN 13 7.636 2.007 -12.252 88 HD22 ASN 13 HD22 ASN 13 8.645 2.062 -13.658 89 H TYR 14 H TYR 14 10.936 -1.633 -8.223 90 HA TYR 14 HA TYR 14 9.985 -0.377 -5.884 91 HB2 TYR 14 HB2 TYR 14 10.527 -2.827 -6.086 92 HB3 TYR 14 HB3 TYR 14 12.234 -2.398 -6.020 93 HD1 TYR 14 HD1 TYR 14 13.182 -1.412 -3.964 94 HD2 TYR 14 HD2 TYR 14 9.178 -2.834 -4.113 95 HE1 TYR 14 HE1 TYR 14 13.092 -1.395 -1.509 96 HE2 TYR 14 HE2 TYR 14 9.078 -2.831 -1.653 97 HH TYR 14 HH TYR 14 10.648 -2.901 0.266 98 H ASP 15 H ASP 15 13.381 -0.828 -6.912 99 HA ASP 15 HA ASP 15 14.495 0.870 -5.002 100 HB2 ASP 15 HB2 ASP 15 15.534 0.210 -7.754 101 HB3 ASP 15 HB3 ASP 15 16.476 0.991 -6.493 102 H ASP 16 H ASP 16 13.306 1.558 -8.239 103 HA ASP 16 HA ASP 16 14.203 4.199 -8.460 104 HB2 ASP 16 HB2 ASP 16 12.571 2.425 -9.929 105 HB3 ASP 16 HB3 ASP 16 11.625 3.888 -9.688 106 H PHE 17 H PHE 17 11.220 2.854 -7.144 107 HA PHE 17 HA PHE 17 9.970 5.303 -6.525 108 HB2 PHE 17 HB2 PHE 17 8.836 3.089 -6.689 109 HB3 PHE 17 HB3 PHE 17 9.586 2.633 -5.159 110 HD1 PHE 17 HD1 PHE 17 7.390 5.234 -6.659 111 HD2 PHE 17 HD2 PHE 17 8.479 3.039 -3.176 112 HE1 PHE 17 HE1 PHE 17 5.489 6.215 -5.445 113 HE2 PHE 17 HE2 PHE 17 6.577 4.020 -1.963 114 HZ PHE 17 HZ PHE 17 5.082 5.606 -3.098 115 H VAL 18 H VAL 18 11.745 3.007 -4.458 116 HA VAL 18 HA VAL 18 11.567 4.554 -2.117 117 HB VAL 18 HB VAL 18 13.383 3.162 -1.233 118 HG11 VAL 18 HG11 VAL 18 11.406 1.527 -2.809 119 HG12 VAL 18 HG12 VAL 18 11.034 2.365 -1.300 120 HG13 VAL 18 HG13 VAL 18 12.221 1.062 -1.317 121 HG21 VAL 18 HG21 VAL 18 14.884 2.854 -2.997 122 HG22 VAL 18 HG22 VAL 18 13.618 2.298 -4.091 123 HG23 VAL 18 HG23 VAL 18 14.157 1.263 -2.765 124 H LYS 19 H LYS 19 13.944 4.578 -4.749 125 HA LYS 19 HA LYS 19 15.729 6.346 -3.374 126 HB2 LYS 19 HB2 LYS 19 15.475 5.486 -6.249 127 HB3 LYS 19 HB3 LYS 19 16.633 6.711 -5.755 128 HG2 LYS 19 HG2 LYS 19 16.683 4.218 -4.185 129 HG3 LYS 19 HG3 LYS 19 17.165 4.068 -5.874 130 HD2 LYS 19 HD2 LYS 19 19.146 4.501 -4.638 131 HD3 LYS 19 HD3 LYS 19 18.744 5.999 -5.476 132 HE2 LYS 19 HE2 LYS 19 17.720 6.856 -3.420 133 HE3 LYS 19 HE3 LYS 19 18.135 5.360 -2.592 134 HZ1 LYS 19 HZ1 LYS 19 20.085 7.254 -3.786 135 HZ2 LYS 19 HZ2 LYS 19 20.461 5.842 -2.933 136 HZ3 LYS 19 HZ3 LYS 19 19.716 7.137 -2.139 137 H LYS 20 H LYS 20 12.870 6.726 -5.247 138 HA LYS 20 HA LYS 20 13.297 9.501 -5.871 139 HB2 LYS 20 HB2 LYS 20 11.912 7.793 -7.203 140 HB3 LYS 20 HB3 LYS 20 10.662 8.059 -5.997 141 HG2 LYS 20 HG2 LYS 20 10.156 9.462 -7.823 142 HG3 LYS 20 HG3 LYS 20 10.800 10.502 -6.550 143 HD2 LYS 20 HD2 LYS 20 13.015 10.416 -7.659 144 HD3 LYS 20 HD3 LYS 20 12.294 9.471 -8.960 145 HE2 LYS 20 HE2 LYS 20 10.811 11.292 -9.510 146 HE3 LYS 20 HE3 LYS 20 11.400 12.223 -8.136 147 HZ1 LYS 20 HZ1 LYS 20 13.569 12.342 -9.167 148 HZ2 LYS 20 HZ2 LYS 20 12.399 12.927 -10.238 149 HZ3 LYS 20 HZ3 LYS 20 13.048 11.386 -10.464 150 H ILE 21 H ILE 21 11.300 7.677 -3.568 151 HA ILE 21 HA ILE 21 10.151 10.065 -2.459 152 HB ILE 21 HB ILE 21 9.161 8.572 -0.759 153 HG12 ILE 21 HG12 ILE 21 10.304 6.231 -2.262 154 HG13 ILE 21 HG13 ILE 21 11.201 6.953 -0.930 155 HG21 ILE 21 HG21 ILE 21 7.814 7.203 -2.402 156 HG22 ILE 21 HG22 ILE 21 8.893 7.813 -3.662 157 HG23 ILE 21 HG23 ILE 21 7.897 8.936 -2.736 158 HD11 ILE 21 HD11 ILE 21 8.421 5.814 -0.757 159 HD12 ILE 21 HD12 ILE 21 9.357 6.492 0.575 160 HD13 ILE 21 HD13 ILE 21 9.904 5.018 -0.224 161 H GLY 22 H GLY 22 13.149 8.672 -2.119 162 HA2 GLY 22 HA2 GLY 22 14.906 9.372 -0.791 163 HA3 GLY 22 HA3 GLY 22 13.793 10.411 0.080 164 H LEU 23 H LEU 23 13.323 6.948 -0.298 165 HA LEU 23 HA LEU 23 13.091 6.582 2.521 166 HB2 LEU 23 HB2 LEU 23 11.958 5.245 0.655 167 HB3 LEU 23 HB3 LEU 23 13.485 4.401 0.475 168 HG LEU 23 HG LEU 23 13.300 3.680 2.862 169 HD11 LEU 23 HD11 LEU 23 11.713 5.535 3.482 170 HD12 LEU 23 HD12 LEU 23 11.283 3.928 4.059 171 HD13 LEU 23 HD13 LEU 23 10.455 4.616 2.663 172 HD21 LEU 23 HD21 LEU 23 12.345 2.508 0.679 173 HD22 LEU 23 HD22 LEU 23 10.821 2.741 1.536 174 HD23 LEU 23 HD23 LEU 23 12.125 1.820 2.286 175 HA PRO 24 HA PRO 24 17.447 6.018 3.352 176 HB2 PRO 24 HB2 PRO 24 17.191 4.744 5.767 177 HB3 PRO 24 HB3 PRO 24 17.047 6.506 5.565 178 HG2 PRO 24 HG2 PRO 24 14.899 4.455 5.781 179 HG3 PRO 24 HG3 PRO 24 14.998 6.063 6.513 180 HD2 PRO 24 HD2 PRO 24 13.499 5.596 4.339 181 HD3 PRO 24 HD3 PRO 24 14.351 7.138 4.570 182 H ALA 25 H ALA 25 18.874 4.443 2.948 183 HA ALA 25 HA ALA 25 18.201 2.103 1.680 184 HB1 ALA 25 HB1 ALA 25 20.443 3.286 1.752 185 HB2 ALA 25 HB2 ALA 25 20.468 1.523 1.721 186 HB3 ALA 25 HB3 ALA 25 20.747 2.380 3.234 187 H ASP 26 H ASP 26 18.862 2.542 5.125 188 HA ASP 26 HA ASP 26 18.933 -0.172 5.820 189 HB2 ASP 26 HB2 ASP 26 18.417 2.341 7.371 190 HB3 ASP 26 HB3 ASP 26 18.204 0.769 8.140 191 H LYS 27 H LYS 27 16.212 2.011 5.351 192 HA LYS 27 HA LYS 27 14.353 0.044 6.415 193 HB2 LYS 27 HB2 LYS 27 13.786 2.661 5.014 194 HB3 LYS 27 HB3 LYS 27 12.597 1.657 5.820 195 HG2 LYS 27 HG2 LYS 27 14.942 2.912 7.225 196 HG3 LYS 27 HG3 LYS 27 13.344 3.656 7.122 197 HD2 LYS 27 HD2 LYS 27 12.503 1.417 8.114 198 HD3 LYS 27 HD3 LYS 27 14.190 1.173 8.575 199 HE2 LYS 27 HE2 LYS 27 14.096 3.438 9.679 200 HE3 LYS 27 HE3 LYS 27 12.357 3.415 9.403 201 HZ1 LYS 27 HZ1 LYS 27 12.757 2.639 11.595 202 HZ2 LYS 27 HZ2 LYS 27 13.932 1.542 11.078 203 HZ3 LYS 27 HZ3 LYS 27 12.309 1.289 10.677 204 H ILE 28 H ILE 28 15.581 1.196 3.382 205 HA ILE 28 HA ILE 28 13.676 0.135 1.619 206 HB ILE 28 HB ILE 28 16.638 0.639 1.257 207 HG12 ILE 28 HG12 ILE 28 14.238 2.146 0.233 208 HG13 ILE 28 HG13 ILE 28 15.217 2.626 1.612 209 HG21 ILE 28 HG21 ILE 28 15.766 -1.134 -0.274 210 HG22 ILE 28 HG22 ILE 28 16.414 0.295 -1.080 211 HG23 ILE 28 HG23 ILE 28 14.669 0.076 -0.941 212 HD11 ILE 28 HD11 ILE 28 17.158 2.854 0.132 213 HD12 ILE 28 HD12 ILE 28 15.820 3.898 -0.345 214 HD13 ILE 28 HD13 ILE 28 16.141 2.417 -1.242 215 H GLU 29 H GLU 29 16.871 -1.174 2.479 216 HA GLU 29 HA GLU 29 16.514 -3.674 1.253 217 HB2 GLU 29 HB2 GLU 29 18.361 -2.805 3.477 218 HB3 GLU 29 HB3 GLU 29 18.466 -4.364 2.668 219 HG2 GLU 29 HG2 GLU 29 18.849 -1.647 1.431 220 HG3 GLU 29 HG3 GLU 29 20.080 -2.880 1.715 221 H MET 30 H MET 30 15.495 -2.443 4.280 222 HA MET 30 HA MET 30 15.124 -4.925 5.619 223 HB2 MET 30 HB2 MET 30 15.405 -2.645 6.691 224 HB3 MET 30 HB3 MET 30 13.767 -2.283 6.177 225 HG2 MET 30 HG2 MET 30 13.965 -2.983 8.543 226 HG3 MET 30 HG3 MET 30 12.867 -3.972 7.585 227 HE1 MET 30 HE1 MET 30 12.740 -6.291 8.655 228 HE2 MET 30 HE2 MET 30 13.972 -7.401 8.055 229 HE3 MET 30 HE3 MET 30 13.163 -6.299 6.941 230 H GLY 31 H GLY 31 13.000 -2.675 3.854 231 HA2 GLY 31 HA2 GLY 31 10.786 -4.590 4.119 232 HA3 GLY 31 HA3 GLY 31 10.653 -2.924 3.590 233 H ARG 32 H ARG 32 13.081 -5.025 2.211 234 HA ARG 32 HA ARG 32 11.478 -5.037 -0.256 235 HB2 ARG 32 HB2 ARG 32 13.347 -4.675 -1.572 236 HB3 ARG 32 HB3 ARG 32 13.687 -3.679 -0.169 237 HG2 ARG 32 HG2 ARG 32 15.202 -5.321 0.705 238 HG3 ARG 32 HG3 ARG 32 14.777 -6.451 -0.581 239 HD2 ARG 32 HD2 ARG 32 16.135 -3.780 -0.919 240 HD3 ARG 32 HD3 ARG 32 16.898 -5.361 -1.064 241 HE ARG 32 HE ARG 32 15.183 -5.654 -2.963 242 HH11 ARG 32 HH11 ARG 32 16.906 -2.697 -2.111 243 HH12 ARG 32 HH12 ARG 32 16.731 -1.990 -3.777 244 HH21 ARG 32 HH21 ARG 32 14.981 -4.810 -5.077 245 HH22 ARG 32 HH22 ARG 32 15.649 -3.166 -5.431 246 H ASN 33 H ASN 33 11.337 -6.843 -1.469 247 HA ASN 33 HA ASN 33 11.166 -9.057 -1.920 248 HB2 ASN 33 HB2 ASN 33 13.793 -9.339 -0.445 249 HB3 ASN 33 HB3 ASN 33 13.127 -10.437 -1.650 250 HD21 ASN 33 HD21 ASN 33 15.673 -9.107 -1.657 251 HD22 ASN 33 HD22 ASN 33 15.722 -8.140 -3.090 252 H CYS 34 H CYS 34 10.342 -7.868 0.722 253 HA CYS 34 HA CYS 34 10.338 -10.251 2.410 254 HB2 CYS 34 HB2 CYS 34 9.728 -7.351 2.915 255 HB3 CYS 34 HB3 CYS 34 9.300 -8.597 4.075 256 HG CYS 34 HG CYS 34 11.895 -7.003 4.320 257 H LYS 35 H LYS 35 8.508 -11.351 2.914 258 HA LYS 35 HA LYS 35 6.290 -11.122 1.159 259 HB2 LYS 35 HB2 LYS 35 5.306 -12.843 2.892 260 HB3 LYS 35 HB3 LYS 35 6.585 -13.312 1.784 261 HG2 LYS 35 HG2 LYS 35 8.240 -13.091 3.496 262 HG3 LYS 35 HG3 LYS 35 7.061 -12.399 4.610 263 HD2 LYS 35 HD2 LYS 35 6.336 -14.417 5.228 264 HD3 LYS 35 HD3 LYS 35 6.204 -14.965 3.557 265 HE2 LYS 35 HE2 LYS 35 8.944 -14.709 4.606 266 HE3 LYS 35 HE3 LYS 35 7.959 -15.965 5.355 267 HZ1 LYS 35 HZ1 LYS 35 8.170 -15.728 2.418 268 HZ2 LYS 35 HZ2 LYS 35 7.696 -17.065 3.340 269 HZ3 LYS 35 HZ3 LYS 35 9.316 -16.585 3.315 270 H ILE 36 H ILE 36 5.423 -9.067 1.448 271 HA ILE 36 HA ILE 36 4.376 -8.312 4.040 272 HB ILE 36 HB ILE 36 3.822 -6.914 1.427 273 HG12 ILE 36 HG12 ILE 36 6.231 -7.095 1.593 274 HG13 ILE 36 HG13 ILE 36 5.747 -5.448 1.974 275 HG21 ILE 36 HG21 ILE 36 3.514 -4.950 2.849 276 HG22 ILE 36 HG22 ILE 36 3.873 -5.922 4.274 277 HG23 ILE 36 HG23 ILE 36 2.429 -6.257 3.319 278 HD11 ILE 36 HD11 ILE 36 6.000 -5.906 4.342 279 HD12 ILE 36 HD12 ILE 36 7.495 -6.222 3.460 280 HD13 ILE 36 HD13 ILE 36 6.473 -7.565 3.972 281 H VAL 37 H VAL 37 2.442 -8.904 4.740 282 HA VAL 37 HA VAL 37 0.513 -9.973 2.799 283 HB VAL 37 HB VAL 37 0.248 -10.149 5.792 284 HG11 VAL 37 HG11 VAL 37 -1.761 -10.625 4.532 285 HG12 VAL 37 HG12 VAL 37 -1.139 -12.103 5.267 286 HG13 VAL 37 HG13 VAL 37 -0.892 -11.806 3.549 287 HG21 VAL 37 HG21 VAL 37 1.703 -12.046 3.960 288 HG22 VAL 37 HG22 VAL 37 1.225 -12.425 5.614 289 HG23 VAL 37 HG23 VAL 37 2.381 -11.133 5.306 290 H THR 38 H THR 38 -1.317 -8.942 2.356 291 HA THR 38 HA THR 38 -2.006 -6.564 3.960 292 HB THR 38 HB THR 38 -2.635 -7.115 1.054 293 HG1 THR 38 HG1 THR 38 -0.447 -6.672 1.285 294 HG21 THR 38 HG21 THR 38 -3.239 -4.682 1.056 295 HG22 THR 38 HG22 THR 38 -3.121 -4.719 2.814 296 HG23 THR 38 HG23 THR 38 -4.324 -5.709 1.993 297 H GLU 39 H GLU 39 -3.639 -7.084 5.301 298 HA GLU 39 HA GLU 39 -5.694 -8.957 4.372 299 HB2 GLU 39 HB2 GLU 39 -5.295 -7.780 7.128 300 HB3 GLU 39 HB3 GLU 39 -6.450 -9.029 6.694 301 HG2 GLU 39 HG2 GLU 39 -4.449 -10.413 5.978 302 HG3 GLU 39 HG3 GLU 39 -3.467 -9.215 6.819 303 H VAL 40 H VAL 40 -7.424 -8.133 3.447 304 HA VAL 40 HA VAL 40 -8.283 -5.418 4.209 305 HB VAL 40 HB VAL 40 -8.843 -6.937 1.655 306 HG11 VAL 40 HG11 VAL 40 -10.698 -5.549 1.996 307 HG12 VAL 40 HG12 VAL 40 -9.649 -4.630 0.910 308 HG13 VAL 40 HG13 VAL 40 -9.707 -4.232 2.627 309 HG21 VAL 40 HG21 VAL 40 -7.084 -4.530 2.110 310 HG22 VAL 40 HG22 VAL 40 -7.351 -5.364 0.581 311 HG23 VAL 40 HG23 VAL 40 -6.501 -6.180 1.892 312 H VAL 41 H VAL 41 -10.200 -5.156 5.128 313 HA VAL 41 HA VAL 41 -12.153 -7.360 5.036 314 HB VAL 41 HB VAL 41 -11.603 -5.451 7.329 315 HG11 VAL 41 HG11 VAL 41 -13.708 -7.596 7.060 316 HG12 VAL 41 HG12 VAL 41 -13.983 -5.855 7.138 317 HG13 VAL 41 HG13 VAL 41 -13.342 -6.710 8.540 318 HG21 VAL 41 HG21 VAL 41 -11.241 -8.440 7.093 319 HG22 VAL 41 HG22 VAL 41 -11.031 -7.505 8.573 320 HG23 VAL 41 HG23 VAL 41 -9.961 -7.231 7.198 321 H GLN 42 H GLN 42 -14.218 -6.772 4.432 322 HA GLN 42 HA GLN 42 -14.523 -3.988 3.606 323 HB2 GLN 42 HB2 GLN 42 -14.870 -5.699 1.883 324 HB3 GLN 42 HB3 GLN 42 -16.169 -6.402 2.843 325 HG2 GLN 42 HG2 GLN 42 -17.582 -4.588 2.476 326 HG3 GLN 42 HG3 GLN 42 -16.259 -3.537 1.975 327 HE21 GLN 42 HE21 GLN 42 -18.742 -4.125 0.602 328 HE22 GLN 42 HE22 GLN 42 -18.302 -4.784 -0.933 329 H ASN 43 H ASN 43 -15.545 -2.691 4.917 330 HA ASN 43 HA ASN 43 -17.887 -3.709 6.379 331 HB2 ASN 43 HB2 ASN 43 -15.780 -3.301 7.806 332 HB3 ASN 43 HB3 ASN 43 -16.039 -1.589 7.484 333 HD21 ASN 43 HD21 ASN 43 -16.143 -3.186 9.980 334 HD22 ASN 43 HD22 ASN 43 -17.693 -2.840 10.668 335 H GLY 44 H GLY 44 -19.100 -2.903 4.587 336 HA2 GLY 44 HA2 GLY 44 -20.585 -1.341 3.769 337 HA3 GLY 44 HA3 GLY 44 -19.978 -0.201 4.962 338 H ASN 45 H ASN 45 -18.290 1.143 4.463 339 HA ASN 45 HA ASN 45 -17.214 0.974 1.744 340 HB2 ASN 45 HB2 ASN 45 -19.006 2.996 2.658 341 HB3 ASN 45 HB3 ASN 45 -17.417 3.733 2.434 342 HD21 ASN 45 HD21 ASN 45 -18.683 0.970 0.669 343 HD22 ASN 45 HD22 ASN 45 -18.739 1.756 -0.878 344 H ASP 46 H ASP 46 -16.523 0.625 4.753 345 HA ASP 46 HA ASP 46 -14.050 2.209 4.743 346 HB2 ASP 46 HB2 ASP 46 -15.596 2.377 6.732 347 HB3 ASP 46 HB3 ASP 46 -15.283 0.676 7.046 348 H PHE 47 H PHE 47 -12.460 1.089 3.790 349 HA PHE 47 HA PHE 47 -12.337 -1.807 4.191 350 HB2 PHE 47 HB2 PHE 47 -10.967 0.025 2.219 351 HB3 PHE 47 HB3 PHE 47 -10.573 -1.683 2.385 352 HD1 PHE 47 HD1 PHE 47 -13.145 0.725 1.345 353 HD2 PHE 47 HD2 PHE 47 -12.031 -3.376 1.558 354 HE1 PHE 47 HE1 PHE 47 -14.977 0.153 -0.189 355 HE2 PHE 47 HE2 PHE 47 -13.852 -3.957 0.011 356 HZ PHE 47 HZ PHE 47 -15.331 -2.190 -0.865 357 H THR 48 H THR 48 -10.851 -2.722 5.428 358 HA THR 48 HA THR 48 -8.958 -0.987 6.794 359 HB THR 48 HB THR 48 -8.563 -2.943 8.255 360 HG1 THR 48 HG1 THR 48 -9.017 -4.581 6.718 361 HG21 THR 48 HG21 THR 48 -10.405 -1.299 8.684 362 HG22 THR 48 HG22 THR 48 -10.667 -2.896 9.387 363 HG23 THR 48 HG23 THR 48 -11.511 -2.434 7.911 364 H TRP 49 H TRP 49 -6.924 -0.820 6.114 365 HA TRP 49 HA TRP 49 -5.854 -2.971 4.438 366 HB2 TRP 49 HB2 TRP 49 -5.773 -0.155 4.223 367 HB3 TRP 49 HB3 TRP 49 -4.133 -0.670 4.591 368 HD1 TRP 49 HD1 TRP 49 -2.729 -1.230 2.529 369 HE1 TRP 49 HE1 TRP 49 -3.198 -1.916 0.090 370 HE3 TRP 49 HE3 TRP 49 -7.823 -1.582 2.763 371 HZ2 TRP 49 HZ2 TRP 49 -5.432 -2.530 -1.512 372 HZ3 TRP 49 HZ3 TRP 49 -9.055 -2.214 0.729 373 HH2 TRP 49 HH2 TRP 49 -7.883 -2.677 -1.368 374 H THR 50 H THR 50 -4.790 -4.433 5.579 375 HA THR 50 HA THR 50 -3.137 -3.521 7.839 376 HB THR 50 HB THR 50 -3.956 -6.374 7.399 377 HG1 THR 50 HG1 THR 50 -5.906 -5.265 7.469 378 HG21 THR 50 HG21 THR 50 -3.560 -6.602 9.739 379 HG22 THR 50 HG22 THR 50 -3.422 -4.858 9.945 380 HG23 THR 50 HG23 THR 50 -2.184 -5.744 9.053 381 H GLN 51 H GLN 51 -1.014 -3.535 7.496 382 HA GLN 51 HA GLN 51 0.054 -5.368 5.451 383 HB2 GLN 51 HB2 GLN 51 0.763 -2.602 6.267 384 HB3 GLN 51 HB3 GLN 51 2.104 -3.668 5.873 385 HG2 GLN 51 HG2 GLN 51 1.530 -2.475 3.910 386 HG3 GLN 51 HG3 GLN 51 1.001 -4.142 3.692 387 HE21 GLN 51 HE21 GLN 51 -0.621 -3.846 2.295 388 HE22 GLN 51 HE22 GLN 51 -2.032 -2.902 2.612 389 H HIS 52 H HIS 52 1.045 -7.070 6.237 390 HA HIS 52 HA HIS 52 2.184 -6.936 8.929 391 HB2 HIS 52 HB2 HIS 52 1.405 -9.276 7.197 392 HB3 HIS 52 HB3 HIS 52 2.253 -9.446 8.728 393 HD2 HIS 52 HD2 HIS 52 -1.276 -9.155 7.376 394 HE1 HIS 52 HE1 HIS 52 -1.491 -8.561 11.558 395 HE2 HIS 52 HE2 HIS 52 -2.796 -9.212 9.480 396 H PHE 53 H PHE 53 4.245 -7.158 9.324 397 HA PHE 53 HA PHE 53 6.030 -7.520 7.021 398 HB2 PHE 53 HB2 PHE 53 5.944 -5.298 8.359 399 HB3 PHE 53 HB3 PHE 53 6.799 -6.189 9.610 400 HD1 PHE 53 HD1 PHE 53 7.117 -6.289 5.928 401 HD2 PHE 53 HD2 PHE 53 8.934 -5.355 9.641 402 HE1 PHE 53 HE1 PHE 53 9.240 -5.839 4.764 403 HE2 PHE 53 HE2 PHE 53 11.063 -4.898 8.506 404 HZ PHE 53 HZ PHE 53 11.220 -5.138 6.059 405 HA PRO 54 HA PRO 54 7.163 -11.350 9.045 406 HB2 PRO 54 HB2 PRO 54 9.464 -11.767 7.564 407 HB3 PRO 54 HB3 PRO 54 7.831 -12.204 7.020 408 HG2 PRO 54 HG2 PRO 54 9.485 -9.836 6.325 409 HG3 PRO 54 HG3 PRO 54 8.402 -10.798 5.302 410 HD2 PRO 54 HD2 PRO 54 7.682 -8.395 6.273 411 HD3 PRO 54 HD3 PRO 54 6.510 -9.708 6.041 412 H GLY 55 H GLY 55 7.958 -11.194 11.032 413 HA2 GLY 55 HA2 GLY 55 9.443 -10.905 12.748 414 HA3 GLY 55 HA3 GLY 55 10.705 -10.871 11.531 415 H GLY 56 H GLY 56 8.081 -8.539 11.524 416 HA2 GLY 56 HA2 GLY 56 9.791 -6.548 12.807 417 HA3 GLY 56 HA3 GLY 56 9.363 -6.266 11.135 418 H ARG 57 H ARG 57 8.489 -4.274 12.079 419 HA ARG 57 HA ARG 57 6.201 -4.362 13.783 420 HB2 ARG 57 HB2 ARG 57 6.085 -1.983 13.496 421 HB3 ARG 57 HB3 ARG 57 7.779 -2.424 13.631 422 HG2 ARG 57 HG2 ARG 57 8.093 -1.169 11.822 423 HG3 ARG 57 HG3 ARG 57 7.355 -2.494 10.922 424 HD2 ARG 57 HD2 ARG 57 6.204 -0.527 10.271 425 HD3 ARG 57 HD3 ARG 57 5.125 -1.400 11.357 426 HE ARG 57 HE ARG 57 6.624 0.432 12.870 427 HH11 ARG 57 HH11 ARG 57 4.103 0.385 10.407 428 HH12 ARG 57 HH12 ARG 57 3.395 1.952 10.943 429 HH21 ARG 57 HH21 ARG 57 5.730 2.418 13.590 430 HH22 ARG 57 HH22 ARG 57 4.299 3.104 12.717 431 H THR 58 H THR 58 4.061 -4.076 13.316 432 HA THR 58 HA THR 58 3.311 -4.555 10.522 433 HB THR 58 HB THR 58 2.586 -6.207 12.292 434 HG1 THR 58 HG1 THR 58 0.995 -6.615 10.965 435 HG21 THR 58 HG21 THR 58 0.710 -5.648 13.723 436 HG22 THR 58 HG22 THR 58 0.692 -3.997 13.102 437 HG23 THR 58 HG23 THR 58 2.061 -4.566 14.062 438 H THR 59 H THR 59 1.332 -3.469 9.741 439 HA THR 59 HA THR 59 0.774 -0.905 11.060 440 HB THR 59 HB THR 59 0.999 -0.930 8.083 441 HG1 THR 59 HG1 THR 59 2.982 -1.852 9.070 442 HG21 THR 59 HG21 THR 59 0.128 1.057 9.116 443 HG22 THR 59 HG22 THR 59 1.753 1.411 8.528 444 HG23 THR 59 HG23 THR 59 1.479 1.114 10.245 445 H THR 60 H THR 60 -1.357 -0.257 10.904 446 HA THR 60 HA THR 60 -3.111 -1.660 9.040 447 HB THR 60 HB THR 60 -3.910 -1.517 11.937 448 HG1 THR 60 HG1 THR 60 -2.304 -3.427 10.614 449 HG21 THR 60 HG21 THR 60 -5.687 -1.862 10.291 450 HG22 THR 60 HG22 THR 60 -5.456 -3.303 11.282 451 HG23 THR 60 HG23 THR 60 -4.820 -3.254 9.638 452 H ASN 61 H ASN 61 -4.133 -0.090 8.015 453 HA ASN 61 HA ASN 61 -5.277 2.100 9.607 454 HB2 ASN 61 HB2 ASN 61 -4.928 3.472 7.367 455 HB3 ASN 61 HB3 ASN 61 -3.669 3.385 8.588 456 HD21 ASN 61 HD21 ASN 61 -4.527 0.819 6.317 457 HD22 ASN 61 HD22 ASN 61 -3.019 0.843 5.468 458 H SER 62 H SER 62 -7.330 2.447 9.318 459 HA SER 62 HA SER 62 -8.688 1.021 7.150 460 HB2 SER 62 HB2 SER 62 -10.692 1.282 8.640 461 HB3 SER 62 HB3 SER 62 -9.381 0.345 9.357 462 HG SER 62 HG SER 62 -10.508 2.619 10.240 463 H PHE 63 H PHE 63 -10.089 2.127 5.780 464 HA PHE 63 HA PHE 63 -10.374 5.012 6.207 465 HB2 PHE 63 HB2 PHE 63 -9.737 5.437 3.830 466 HB3 PHE 63 HB3 PHE 63 -8.405 4.850 4.824 467 HD1 PHE 63 HD1 PHE 63 -7.497 2.625 4.494 468 HD2 PHE 63 HD2 PHE 63 -10.658 4.099 2.064 469 HE1 PHE 63 HE1 PHE 63 -7.104 0.805 2.884 470 HE2 PHE 63 HE2 PHE 63 -10.282 2.282 0.456 471 HZ PHE 63 HZ PHE 63 -8.501 0.632 0.863 472 H THR 64 H THR 64 -12.211 5.900 5.410 473 HA THR 64 HA THR 64 -14.104 4.029 4.178 474 HB THR 64 HB THR 64 -14.617 6.605 5.685 475 HG1 THR 64 HG1 THR 64 -14.223 4.249 6.639 476 HG21 THR 64 HG21 THR 64 -16.538 4.755 4.274 477 HG22 THR 64 HG22 THR 64 -16.226 6.453 3.902 478 HG23 THR 64 HG23 THR 64 -17.021 6.015 5.411 479 H ILE 65 H ILE 65 -14.744 4.357 2.134 480 HA ILE 65 HA ILE 65 -13.493 6.161 0.433 481 HB ILE 65 HB ILE 65 -16.205 4.906 0.033 482 HG12 ILE 65 HG12 ILE 65 -14.522 3.216 0.573 483 HG13 ILE 65 HG13 ILE 65 -14.996 3.100 -1.118 484 HG21 ILE 65 HG21 ILE 65 -15.486 6.801 -1.483 485 HG22 ILE 65 HG22 ILE 65 -15.953 5.285 -2.257 486 HG23 ILE 65 HG23 ILE 65 -14.248 5.699 -2.087 487 HD11 ILE 65 HD11 ILE 65 -12.467 4.340 -0.049 488 HD12 ILE 65 HD12 ILE 65 -12.939 4.302 -1.745 489 HD13 ILE 65 HD13 ILE 65 -12.610 2.796 -0.888 490 H ASP 66 H ASP 66 -13.676 8.218 0.124 491 HA ASP 66 HA ASP 66 -14.440 10.332 -0.077 492 HB2 ASP 66 HB2 ASP 66 -16.628 9.007 -0.858 493 HB3 ASP 66 HB3 ASP 66 -17.263 9.682 0.635 494 H LYS 67 H LYS 67 -13.603 9.036 2.373 495 HA LYS 67 HA LYS 67 -14.566 11.066 4.245 496 HB2 LYS 67 HB2 LYS 67 -15.862 9.177 4.846 497 HB3 LYS 67 HB3 LYS 67 -14.487 8.096 4.679 498 HG2 LYS 67 HG2 LYS 67 -14.867 8.335 6.984 499 HG3 LYS 67 HG3 LYS 67 -13.446 9.307 6.624 500 HD2 LYS 67 HD2 LYS 67 -14.971 11.298 6.484 501 HD3 LYS 67 HD3 LYS 67 -16.261 10.267 7.098 502 HE2 LYS 67 HE2 LYS 67 -14.831 9.768 9.069 503 HE3 LYS 67 HE3 LYS 67 -13.671 10.947 8.466 504 HZ1 LYS 67 HZ1 LYS 67 -15.213 12.686 8.764 505 HZ2 LYS 67 HZ2 LYS 67 -15.268 11.773 10.184 506 HZ3 LYS 67 HZ3 LYS 67 -16.497 11.621 9.034 507 H GLU 68 H GLU 68 -13.028 11.727 5.776 508 HA GLU 68 HA GLU 68 -10.297 11.420 5.048 509 HB2 GLU 68 HB2 GLU 68 -9.809 12.731 7.064 510 HB3 GLU 68 HB3 GLU 68 -11.133 13.459 6.159 511 HG2 GLU 68 HG2 GLU 68 -12.737 12.491 7.703 512 HG3 GLU 68 HG3 GLU 68 -11.432 11.705 8.588 513 H ALA 69 H ALA 69 -8.709 10.116 5.946 514 HA ALA 69 HA ALA 69 -9.569 8.336 8.120 515 HB1 ALA 69 HB1 ALA 69 -8.258 7.500 5.547 516 HB2 ALA 69 HB2 ALA 69 -9.857 7.045 6.138 517 HB3 ALA 69 HB3 ALA 69 -8.414 6.459 6.966 518 H ASP 70 H ASP 70 -8.093 7.754 9.559 519 HA ASP 70 HA ASP 70 -5.616 9.246 9.687 520 HB2 ASP 70 HB2 ASP 70 -7.346 8.515 11.596 521 HB3 ASP 70 HB3 ASP 70 -6.307 7.094 11.651 522 H MET 71 H MET 71 -3.848 8.479 8.659 523 HA MET 71 HA MET 71 -3.590 5.557 8.421 524 HB2 MET 71 HB2 MET 71 -2.580 7.615 6.483 525 HB3 MET 71 HB3 MET 71 -2.491 5.869 6.301 526 HG2 MET 71 HG2 MET 71 -4.746 5.665 5.882 527 HG3 MET 71 HG3 MET 71 -5.131 7.204 6.649 528 HE1 MET 71 HE1 MET 71 -6.588 6.658 4.471 529 HE2 MET 71 HE2 MET 71 -6.288 7.626 3.026 530 HE3 MET 71 HE3 MET 71 -6.554 8.417 4.580 531 H GLU 72 H GLU 72 -1.329 4.866 7.948 532 HA GLU 72 HA GLU 72 0.842 6.506 8.863 533 HB2 GLU 72 HB2 GLU 72 0.241 5.855 11.052 534 HB3 GLU 72 HB3 GLU 72 -0.231 4.241 10.540 535 HG2 GLU 72 HG2 GLU 72 1.882 3.442 10.606 536 HG3 GLU 72 HG3 GLU 72 2.606 4.986 10.167 537 H THR 73 H THR 73 2.783 5.716 8.038 538 HA THR 73 HA THR 73 2.490 3.509 6.153 539 HB THR 73 HB THR 73 4.593 4.189 5.206 540 HG1 THR 73 HG1 THR 73 5.980 5.522 6.214 541 HG21 THR 73 HG21 THR 73 2.359 5.658 5.067 542 HG22 THR 73 HG22 THR 73 3.834 6.079 4.204 543 HG23 THR 73 HG23 THR 73 3.454 6.867 5.731 544 H MET 74 H MET 74 4.812 2.323 5.925 545 HA MET 74 HA MET 74 5.070 0.847 8.400 546 HB2 MET 74 HB2 MET 74 6.482 0.472 5.749 547 HB3 MET 74 HB3 MET 74 6.523 -0.650 7.098 548 HG2 MET 74 HG2 MET 74 4.079 -0.954 6.874 549 HG3 MET 74 HG3 MET 74 4.109 0.103 5.465 550 HE1 MET 74 HE1 MET 74 5.744 -3.263 6.908 551 HE2 MET 74 HE2 MET 74 5.075 -4.310 5.656 552 HE3 MET 74 HE3 MET 74 4.000 -3.341 6.663 553 H GLY 75 H GLY 75 6.406 3.612 7.165 554 HA2 GLY 75 HA2 GLY 75 9.078 3.178 8.268 555 HA3 GLY 75 HA3 GLY 75 8.535 4.590 7.371 556 H GLY 76 H GLY 76 6.048 4.465 9.161 557 HA2 GLY 76 HA2 GLY 76 5.655 4.887 11.511 558 HA3 GLY 76 HA3 GLY 76 7.262 5.589 11.601 559 H ARG 77 H ARG 77 5.371 6.423 8.841 560 HA ARG 77 HA ARG 77 5.249 9.167 9.771 561 HB2 ARG 77 HB2 ARG 77 4.067 8.166 7.191 562 HB3 ARG 77 HB3 ARG 77 4.651 9.775 7.572 563 HG2 ARG 77 HG2 ARG 77 6.885 9.104 7.374 564 HG3 ARG 77 HG3 ARG 77 6.461 7.393 7.413 565 HD2 ARG 77 HD2 ARG 77 6.752 7.694 5.175 566 HD3 ARG 77 HD3 ARG 77 5.040 8.031 5.305 567 HE ARG 77 HE ARG 77 5.562 10.379 5.166 568 HH11 ARG 77 HH11 ARG 77 8.159 8.134 4.374 569 HH12 ARG 77 HH12 ARG 77 9.052 9.341 3.383 570 HH21 ARG 77 HH21 ARG 77 6.645 11.930 3.909 571 HH22 ARG 77 HH22 ARG 77 8.214 11.492 3.141 572 H LYS 78 H LYS 78 3.532 10.013 10.768 573 HA LYS 78 HA LYS 78 0.972 8.576 10.596 574 HB2 LYS 78 HB2 LYS 78 2.002 10.590 12.605 575 HB3 LYS 78 HB3 LYS 78 0.358 9.983 12.591 576 HG2 LYS 78 HG2 LYS 78 1.289 8.606 14.152 577 HG3 LYS 78 HG3 LYS 78 1.558 7.646 12.697 578 HD2 LYS 78 HD2 LYS 78 3.828 8.156 12.628 579 HD3 LYS 78 HD3 LYS 78 3.631 9.600 13.621 580 HE2 LYS 78 HE2 LYS 78 4.749 7.736 14.808 581 HE3 LYS 78 HE3 LYS 78 3.261 8.272 15.585 582 HZ1 LYS 78 HZ1 LYS 78 2.110 6.394 14.573 583 HZ2 LYS 78 HZ2 LYS 78 3.391 5.873 15.540 584 HZ3 LYS 78 HZ3 LYS 78 3.547 5.866 13.852 585 H PHE 79 H PHE 79 -0.573 9.431 9.371 586 HA PHE 79 HA PHE 79 -0.817 12.306 9.065 587 HB2 PHE 79 HB2 PHE 79 -0.742 12.159 6.571 588 HB3 PHE 79 HB3 PHE 79 0.804 11.805 7.341 589 HD1 PHE 79 HD1 PHE 79 1.598 9.492 7.498 590 HD2 PHE 79 HD2 PHE 79 -1.880 10.509 5.282 591 HE1 PHE 79 HE1 PHE 79 1.707 7.327 6.364 592 HE2 PHE 79 HE2 PHE 79 -1.787 8.331 4.137 593 HZ PHE 79 HZ PHE 79 0.011 6.731 4.681 594 H LYS 80 H LYS 80 -2.641 12.763 7.405 595 HA LYS 80 HA LYS 80 -4.736 10.710 7.585 596 HB2 LYS 80 HB2 LYS 80 -5.095 13.660 8.184 597 HB3 LYS 80 HB3 LYS 80 -6.405 12.499 8.044 598 HG2 LYS 80 HG2 LYS 80 -6.159 12.620 10.322 599 HG3 LYS 80 HG3 LYS 80 -5.109 11.254 9.951 600 HD2 LYS 80 HD2 LYS 80 -3.165 12.581 10.112 601 HD3 LYS 80 HD3 LYS 80 -4.094 14.079 10.123 602 HE2 LYS 80 HE2 LYS 80 -3.491 13.801 12.351 603 HE3 LYS 80 HE3 LYS 80 -5.135 13.167 12.289 604 HZ1 LYS 80 HZ1 LYS 80 -4.416 11.016 12.520 605 HZ2 LYS 80 HZ2 LYS 80 -3.285 11.833 13.480 606 HZ3 LYS 80 HZ3 LYS 80 -2.865 11.334 11.922 607 H ALA 81 H ALA 81 -5.980 10.522 5.768 608 HA ALA 81 HA ALA 81 -5.800 12.571 3.709 609 HB1 ALA 81 HB1 ALA 81 -3.843 11.172 3.289 610 HB2 ALA 81 HB2 ALA 81 -5.025 11.019 1.988 611 HB3 ALA 81 HB3 ALA 81 -4.872 9.744 3.201 612 H THR 82 H THR 82 -7.263 12.149 1.900 613 HA THR 82 HA THR 82 -9.635 10.680 2.809 614 HB THR 82 HB THR 82 -9.796 12.477 0.443 615 HG1 THR 82 HG1 THR 82 -10.073 13.867 2.796 616 HG21 THR 82 HG21 THR 82 -11.827 11.477 1.139 617 HG22 THR 82 HG22 THR 82 -11.904 13.154 1.695 618 HG23 THR 82 HG23 THR 82 -11.522 11.861 2.834 619 H VAL 83 H VAL 83 -10.377 8.968 1.677 620 HA VAL 83 HA VAL 83 -8.996 8.297 -0.840 621 HB VAL 83 HB VAL 83 -10.161 6.366 1.180 622 HG11 VAL 83 HG11 VAL 83 -10.261 5.402 -0.978 623 HG12 VAL 83 HG12 VAL 83 -8.846 4.706 -0.181 624 HG13 VAL 83 HG13 VAL 83 -8.644 5.979 -1.387 625 HG21 VAL 83 HG21 VAL 83 -8.174 7.508 2.050 626 HG22 VAL 83 HG22 VAL 83 -7.269 7.015 0.618 627 HG23 VAL 83 HG23 VAL 83 -7.868 5.796 1.745 628 H LYS 84 H LYS 84 -10.255 7.582 -2.550 629 HA LYS 84 HA LYS 84 -13.154 7.400 -2.114 630 HB2 LYS 84 HB2 LYS 84 -13.520 8.732 -4.195 631 HB3 LYS 84 HB3 LYS 84 -12.804 9.663 -2.884 632 HG2 LYS 84 HG2 LYS 84 -10.595 8.766 -4.162 633 HG3 LYS 84 HG3 LYS 84 -11.721 8.944 -5.506 634 HD2 LYS 84 HD2 LYS 84 -11.986 11.235 -5.117 635 HD3 LYS 84 HD3 LYS 84 -11.331 11.123 -3.482 636 HE2 LYS 84 HE2 LYS 84 -9.128 10.678 -4.343 637 HE3 LYS 84 HE3 LYS 84 -9.739 10.605 -5.995 638 HZ1 LYS 84 HZ1 LYS 84 -10.363 12.948 -5.801 639 HZ2 LYS 84 HZ2 LYS 84 -8.707 12.738 -5.540 640 HZ3 LYS 84 HZ3 LYS 84 -9.743 13.002 -4.230 641 H MET 85 H MET 85 -14.070 6.768 -4.538 642 HA MET 85 HA MET 85 -12.324 4.592 -5.469 643 HB2 MET 85 HB2 MET 85 -14.959 4.455 -4.315 644 HB3 MET 85 HB3 MET 85 -14.979 3.838 -5.958 645 HG2 MET 85 HG2 MET 85 -13.228 2.264 -5.426 646 HG3 MET 85 HG3 MET 85 -13.103 2.926 -3.795 647 HE1 MET 85 HE1 MET 85 -14.668 -0.346 -2.692 648 HE2 MET 85 HE2 MET 85 -13.708 1.034 -2.154 649 HE3 MET 85 HE3 MET 85 -13.216 0.117 -3.586 650 H GLU 86 H GLU 86 -12.466 4.044 -7.682 651 HA GLU 86 HA GLU 86 -13.981 5.913 -9.363 652 HB2 GLU 86 HB2 GLU 86 -11.866 5.802 -10.905 653 HB3 GLU 86 HB3 GLU 86 -11.913 6.927 -9.556 654 HG2 GLU 86 HG2 GLU 86 -10.318 5.822 -8.396 655 HG3 GLU 86 HG3 GLU 86 -10.806 4.247 -9.009 656 H GLY 87 H GLY 87 -15.405 4.043 -9.545 657 HA2 GLY 87 HA2 GLY 87 -16.269 2.418 -10.938 658 HA3 GLY 87 HA3 GLY 87 -14.817 2.558 -11.913 659 H GLY 88 H GLY 88 -15.379 1.564 -8.537 660 HA2 GLY 88 HA2 GLY 88 -15.033 -0.490 -7.525 661 HA3 GLY 88 HA3 GLY 88 -14.732 -1.184 -9.110 662 H LYS 89 H LYS 89 -12.877 1.572 -8.408 663 HA LYS 89 HA LYS 89 -10.587 -0.059 -7.530 664 HB2 LYS 89 HB2 LYS 89 -10.319 2.305 -9.384 665 HB3 LYS 89 HB3 LYS 89 -9.097 1.115 -8.968 666 HG2 LYS 89 HG2 LYS 89 -10.604 -0.588 -10.124 667 HG3 LYS 89 HG3 LYS 89 -11.474 0.802 -10.776 668 HD2 LYS 89 HD2 LYS 89 -8.561 0.114 -11.180 669 HD3 LYS 89 HD3 LYS 89 -9.842 0.069 -12.389 670 HE2 LYS 89 HE2 LYS 89 -9.210 2.139 -12.935 671 HE3 LYS 89 HE3 LYS 89 -9.958 2.649 -11.422 672 HZ1 LYS 89 HZ1 LYS 89 -7.271 2.804 -12.139 673 HZ2 LYS 89 HZ2 LYS 89 -7.368 1.676 -10.883 674 HZ3 LYS 89 HZ3 LYS 89 -7.981 3.252 -10.668 675 H ILE 90 H ILE 90 -9.764 0.647 -5.674 676 HA ILE 90 HA ILE 90 -10.731 3.095 -4.518 677 HB ILE 90 HB ILE 90 -8.537 1.344 -3.415 678 HG12 ILE 90 HG12 ILE 90 -11.518 1.003 -3.406 679 HG13 ILE 90 HG13 ILE 90 -10.276 -0.197 -3.736 680 HG21 ILE 90 HG21 ILE 90 -9.212 2.241 -1.291 681 HG22 ILE 90 HG22 ILE 90 -10.547 3.111 -2.040 682 HG23 ILE 90 HG23 ILE 90 -8.884 3.569 -2.401 683 HD11 ILE 90 HD11 ILE 90 -9.646 -0.045 -1.306 684 HD12 ILE 90 HD12 ILE 90 -11.232 -0.734 -1.643 685 HD13 ILE 90 HD13 ILE 90 -11.098 0.931 -1.074 686 H VAL 91 H VAL 91 -9.858 5.038 -4.772 687 HA VAL 91 HA VAL 91 -7.012 5.209 -5.493 688 HB VAL 91 HB VAL 91 -8.350 5.919 -7.379 689 HG11 VAL 91 HG11 VAL 91 -10.378 6.527 -6.052 690 HG12 VAL 91 HG12 VAL 91 -9.954 7.651 -7.347 691 HG13 VAL 91 HG13 VAL 91 -9.576 8.054 -5.673 692 HG21 VAL 91 HG21 VAL 91 -7.583 8.327 -7.539 693 HG22 VAL 91 HG22 VAL 91 -6.336 7.124 -7.204 694 HG23 VAL 91 HG23 VAL 91 -6.967 8.130 -5.897 695 H ALA 92 H ALA 92 -5.758 6.257 -4.138 696 HA ALA 92 HA ALA 92 -7.011 7.848 -2.016 697 HB1 ALA 92 HB1 ALA 92 -4.138 7.022 -2.032 698 HB2 ALA 92 HB2 ALA 92 -5.402 5.887 -1.563 699 HB3 ALA 92 HB3 ALA 92 -5.187 7.390 -0.663 700 H ASP 93 H ASP 93 -6.538 9.975 -1.737 701 HA ASP 93 HA ASP 93 -5.076 11.238 -3.930 702 HB2 ASP 93 HB2 ASP 93 -7.317 12.049 -3.559 703 HB3 ASP 93 HB3 ASP 93 -6.955 12.390 -1.873 704 H PHE 94 H PHE 94 -3.142 11.945 -3.671 705 HA PHE 94 HA PHE 94 -2.230 13.002 -1.116 706 HB2 PHE 94 HB2 PHE 94 -0.936 10.688 -2.549 707 HB3 PHE 94 HB3 PHE 94 -0.057 11.698 -1.407 708 HD1 PHE 94 HD1 PHE 94 -0.712 11.722 0.966 709 HD2 PHE 94 HD2 PHE 94 -2.439 9.030 -1.836 710 HE1 PHE 94 HE1 PHE 94 -1.540 10.333 2.820 711 HE2 PHE 94 HE2 PHE 94 -3.282 7.645 0.017 712 HZ PHE 94 HZ PHE 94 -2.828 8.293 2.344 713 HA PRO 95 HA PRO 95 -0.204 15.860 -3.791 714 HB2 PRO 95 HB2 PRO 95 1.812 16.727 -2.178 715 HB3 PRO 95 HB3 PRO 95 0.117 17.182 -1.928 716 HG2 PRO 95 HG2 PRO 95 1.751 15.148 -0.506 717 HG3 PRO 95 HG3 PRO 95 0.539 16.277 0.131 718 HD2 PRO 95 HD2 PRO 95 0.024 13.639 -0.356 719 HD3 PRO 95 HD3 PRO 95 -1.211 14.911 -0.400 720 H ASN 96 H ASN 96 0.828 15.055 -5.501 721 HA ASN 96 HA ASN 96 2.462 14.267 -6.861 722 HB2 ASN 96 HB2 ASN 96 3.839 15.674 -4.947 723 HB3 ASN 96 HB3 ASN 96 4.609 14.096 -4.861 724 HD21 ASN 96 HD21 ASN 96 3.987 16.879 -6.821 725 HD22 ASN 96 HD22 ASN 96 5.153 16.525 -8.049 726 H TYR 97 H TYR 97 0.934 12.579 -4.813 727 HA TYR 97 HA TYR 97 2.377 10.073 -5.349 728 HB2 TYR 97 HB2 TYR 97 2.720 10.915 -2.950 729 HB3 TYR 97 HB3 TYR 97 1.007 10.620 -2.711 730 HD1 TYR 97 HD1 TYR 97 0.327 8.107 -3.647 731 HD2 TYR 97 HD2 TYR 97 4.104 9.301 -2.098 732 HE1 TYR 97 HE1 TYR 97 0.813 5.770 -3.054 733 HE2 TYR 97 HE2 TYR 97 4.599 6.970 -1.493 734 HH TYR 97 HH TYR 97 2.747 4.334 -2.611 735 H HIS 98 H HIS 98 1.055 8.610 -6.224 736 HA HIS 98 HA HIS 98 -1.852 8.949 -5.912 737 HB2 HIS 98 HB2 HIS 98 -0.814 9.673 -8.181 738 HB3 HIS 98 HB3 HIS 98 -0.609 7.950 -8.469 739 HD1 HIS 98 HD1 HIS 98 -3.364 10.467 -7.768 740 HD2 HIS 98 HD2 HIS 98 -2.829 6.690 -9.430 741 HE1 HIS 98 HE1 HIS 98 -5.583 9.850 -8.779 742 HE2 HIS 98 HE2 HIS 98 -5.201 7.616 -9.890 743 H HIS 99 H HIS 99 -2.649 7.214 -4.898 744 HA HIS 99 HA HIS 99 -1.377 4.605 -5.430 745 HB2 HIS 99 HB2 HIS 99 -1.139 5.607 -3.077 746 HB3 HIS 99 HB3 HIS 99 -2.861 5.295 -2.896 747 HD2 HIS 99 HD2 HIS 99 -3.590 2.581 -2.779 748 HE1 HIS 99 HE1 HIS 99 0.374 1.233 -2.183 749 HE2 HIS 99 HE2 HIS 99 -2.069 0.548 -2.201 750 H THR 100 H THR 100 -2.660 3.251 -6.507 751 HA THR 100 HA THR 100 -5.557 3.352 -6.003 752 HB THR 100 HB THR 100 -5.871 2.675 -8.414 753 HG1 THR 100 HG1 THR 100 -3.779 2.074 -8.970 754 HG21 THR 100 HG21 THR 100 -4.642 5.380 -7.878 755 HG22 THR 100 HG22 THR 100 -6.333 4.943 -7.647 756 HG23 THR 100 HG23 THR 100 -5.647 4.962 -9.268 757 H ALA 101 H ALA 101 -6.531 1.450 -5.675 758 HA ALA 101 HA ALA 101 -4.925 -0.996 -6.054 759 HB1 ALA 101 HB1 ALA 101 -6.862 -0.259 -3.868 760 HB2 ALA 101 HB2 ALA 101 -5.155 -0.682 -3.719 761 HB3 ALA 101 HB3 ALA 101 -6.338 -1.918 -4.159 762 H GLU 102 H GLU 102 -5.753 -2.490 -7.356 763 HA GLU 102 HA GLU 102 -8.625 -2.702 -7.727 764 HB2 GLU 102 HB2 GLU 102 -8.376 -2.666 -10.221 765 HB3 GLU 102 HB3 GLU 102 -8.143 -1.111 -9.436 766 HG2 GLU 102 HG2 GLU 102 -5.605 -1.943 -9.494 767 HG3 GLU 102 HG3 GLU 102 -6.224 -2.807 -10.903 768 H ILE 103 H ILE 103 -9.090 -4.541 -9.309 769 HA ILE 103 HA ILE 103 -7.257 -6.758 -8.700 770 HB ILE 103 HB ILE 103 -10.206 -6.989 -9.322 771 HG12 ILE 103 HG12 ILE 103 -9.925 -5.792 -7.197 772 HG13 ILE 103 HG13 ILE 103 -10.542 -7.417 -6.909 773 HG21 ILE 103 HG21 ILE 103 -9.912 -9.271 -8.390 774 HG22 ILE 103 HG22 ILE 103 -8.180 -8.959 -8.274 775 HG23 ILE 103 HG23 ILE 103 -8.967 -8.981 -9.851 776 HD11 ILE 103 HD11 ILE 103 -7.747 -6.408 -6.476 777 HD12 ILE 103 HD12 ILE 103 -8.199 -8.111 -6.393 778 HD13 ILE 103 HD13 ILE 103 -8.905 -6.954 -5.262 779 H SER 104 H SER 104 -6.145 -7.395 -10.420 780 HA SER 104 HA SER 104 -7.506 -7.376 -13.025 781 HB2 SER 104 HB2 SER 104 -4.632 -6.512 -12.689 782 HB3 SER 104 HB3 SER 104 -5.655 -6.346 -14.115 783 HG SER 104 HG SER 104 -6.252 -5.102 -11.650 784 H GLY 105 H GLY 105 -7.708 -9.491 -13.372 785 HA2 GLY 105 HA2 GLY 105 -6.912 -11.542 -14.166 786 HA3 GLY 105 HA3 GLY 105 -5.290 -11.074 -13.672 787 H GLY 106 H GLY 106 -8.013 -10.803 -11.527 788 HA2 GLY 106 HA2 GLY 106 -8.616 -11.978 -9.635 789 HA3 GLY 106 HA3 GLY 106 -7.667 -13.334 -10.237 790 H LYS 107 H LYS 107 -6.166 -10.257 -9.992 791 HA LYS 107 HA LYS 107 -4.862 -11.013 -7.474 792 HB2 LYS 107 HB2 LYS 107 -3.600 -10.474 -10.124 793 HB3 LYS 107 HB3 LYS 107 -2.769 -9.917 -8.680 794 HG2 LYS 107 HG2 LYS 107 -2.156 -11.985 -8.073 795 HG3 LYS 107 HG3 LYS 107 -3.690 -12.698 -8.576 796 HD2 LYS 107 HD2 LYS 107 -2.999 -12.755 -10.856 797 HD3 LYS 107 HD3 LYS 107 -1.572 -11.777 -10.511 798 HE2 LYS 107 HE2 LYS 107 -0.449 -13.528 -9.527 799 HE3 LYS 107 HE3 LYS 107 -1.930 -14.380 -9.100 800 HZ1 LYS 107 HZ1 LYS 107 -0.984 -14.057 -11.892 801 HZ2 LYS 107 HZ2 LYS 107 -2.219 -15.067 -11.332 802 HZ3 LYS 107 HZ3 LYS 107 -0.610 -15.401 -10.938 803 H LEU 108 H LEU 108 -3.982 -9.283 -6.304 804 HA LEU 108 HA LEU 108 -5.330 -6.744 -6.801 805 HB2 LEU 108 HB2 LEU 108 -5.471 -7.819 -4.570 806 HB3 LEU 108 HB3 LEU 108 -3.731 -7.742 -4.431 807 HG LEU 108 HG LEU 108 -5.184 -6.021 -3.171 808 HD11 LEU 108 HD11 LEU 108 -2.731 -5.970 -3.346 809 HD12 LEU 108 HD12 LEU 108 -3.454 -4.362 -3.306 810 HD13 LEU 108 HD13 LEU 108 -2.884 -5.033 -4.832 811 HD21 LEU 108 HD21 LEU 108 -6.590 -5.328 -5.008 812 HD22 LEU 108 HD22 LEU 108 -5.176 -4.794 -5.916 813 HD23 LEU 108 HD23 LEU 108 -5.630 -3.967 -4.428 814 H VAL 109 H VAL 109 -4.268 -5.256 -7.919 815 HA VAL 109 HA VAL 109 -1.345 -5.162 -7.619 816 HB VAL 109 HB VAL 109 -1.790 -5.980 -9.829 817 HG11 VAL 109 HG11 VAL 109 -3.133 -4.762 -11.461 818 HG12 VAL 109 HG12 VAL 109 -3.569 -3.584 -10.225 819 HG13 VAL 109 HG13 VAL 109 -4.097 -5.259 -10.070 820 HG21 VAL 109 HG21 VAL 109 -1.030 -3.065 -9.896 821 HG22 VAL 109 HG22 VAL 109 -0.760 -4.216 -11.205 822 HG23 VAL 109 HG23 VAL 109 0.055 -4.436 -9.658 823 H GLU 110 H GLU 110 -0.693 -3.412 -6.664 824 HA GLU 110 HA GLU 110 -2.400 -1.024 -6.715 825 HB2 GLU 110 HB2 GLU 110 -0.170 -1.800 -4.828 826 HB3 GLU 110 HB3 GLU 110 -1.041 -0.276 -4.768 827 HG2 GLU 110 HG2 GLU 110 -3.045 -1.331 -4.131 828 HG3 GLU 110 HG3 GLU 110 -2.414 -2.929 -4.527 829 H ILE 111 H ILE 111 -1.652 0.900 -7.393 830 HA ILE 111 HA ILE 111 1.084 0.993 -8.456 831 HB ILE 111 HB ILE 111 -1.421 2.190 -9.649 832 HG12 ILE 111 HG12 ILE 111 -0.180 0.935 -11.679 833 HG13 ILE 111 HG13 ILE 111 0.401 -0.046 -10.343 834 HG21 ILE 111 HG21 ILE 111 1.379 2.570 -10.659 835 HG22 ILE 111 HG22 ILE 111 0.551 3.752 -9.645 836 HG23 ILE 111 HG23 ILE 111 -0.093 3.345 -11.239 837 HD11 ILE 111 HD11 ILE 111 -1.959 -0.417 -9.676 838 HD12 ILE 111 HD12 ILE 111 -1.532 -1.081 -11.252 839 HD13 ILE 111 HD13 ILE 111 -2.452 0.419 -11.147 840 H SER 112 H SER 112 2.301 2.414 -7.469 841 HA SER 112 HA SER 112 1.039 4.790 -6.248 842 HB2 SER 112 HB2 SER 112 3.626 3.611 -5.259 843 HB3 SER 112 HB3 SER 112 2.487 4.656 -4.412 844 HG SER 112 HG SER 112 1.087 2.946 -4.185 845 H THR 113 H THR 113 1.460 6.457 -7.510 846 HA THR 113 HA THR 113 4.026 6.616 -8.905 847 HB THR 113 HB THR 113 2.103 8.801 -9.287 848 HG1 THR 113 HG1 THR 113 1.454 6.141 -10.093 849 HG21 THR 113 HG21 THR 113 2.652 8.435 -11.620 850 HG22 THR 113 HG22 THR 113 3.446 6.911 -11.223 851 HG23 THR 113 HG23 THR 113 4.130 8.439 -10.659 852 H SER 114 H SER 114 5.565 8.089 -8.422 853 HA SER 114 HA SER 114 4.920 10.335 -6.685 854 HB2 SER 114 HB2 SER 114 6.993 8.245 -5.980 855 HB3 SER 114 HB3 SER 114 6.835 9.804 -5.171 856 HG SER 114 HG SER 114 4.442 8.644 -5.258 857 H SER 115 H SER 115 5.604 11.983 -7.821 858 HA SER 115 HA SER 115 6.843 13.375 -9.091 859 HB2 SER 115 HB2 SER 115 9.156 11.869 -7.857 860 HB3 SER 115 HB3 SER 115 9.230 13.472 -8.591 861 HG SER 115 HG SER 115 7.333 13.687 -6.852 862 H GLY 116 H GLY 116 5.963 10.954 -10.402 863 HA2 GLY 116 HA2 GLY 116 6.273 10.658 -12.770 864 HA3 GLY 116 HA3 GLY 116 7.987 10.947 -12.542 865 H VAL 117 H VAL 117 7.968 9.097 -10.142 866 HA VAL 117 HA VAL 117 8.455 6.698 -11.688 867 HB VAL 117 HB VAL 117 8.827 7.253 -8.740 868 HG11 VAL 117 HG11 VAL 117 8.420 4.898 -9.046 869 HG12 VAL 117 HG12 VAL 117 10.136 5.156 -8.720 870 HG13 VAL 117 HG13 VAL 117 9.591 4.831 -10.365 871 HG21 VAL 117 HG21 VAL 117 10.342 8.520 -10.142 872 HG22 VAL 117 HG22 VAL 117 10.794 7.058 -11.017 873 HG23 VAL 117 HG23 VAL 117 11.223 7.235 -9.317 874 H VAL 118 H VAL 118 7.102 5.056 -11.923 875 HA VAL 118 HA VAL 118 4.715 4.979 -10.219 876 HB VAL 118 HB VAL 118 4.165 5.237 -12.552 877 HG11 VAL 118 HG11 VAL 118 5.910 2.832 -12.968 878 HG12 VAL 118 HG12 VAL 118 6.038 4.427 -13.713 879 HG13 VAL 118 HG13 VAL 118 4.711 3.352 -14.151 880 HG21 VAL 118 HG21 VAL 118 2.605 3.939 -11.328 881 HG22 VAL 118 HG22 VAL 118 3.595 2.489 -11.473 882 HG23 VAL 118 HG23 VAL 118 2.805 3.164 -12.900 883 H TYR 119 H TYR 119 4.902 3.628 -8.604 884 HA TYR 119 HA TYR 119 6.512 1.205 -8.870 885 HB2 TYR 119 HB2 TYR 119 7.052 2.413 -6.911 886 HB3 TYR 119 HB3 TYR 119 5.364 2.692 -6.516 887 HD1 TYR 119 HD1 TYR 119 7.630 -0.250 -7.067 888 HD2 TYR 119 HD2 TYR 119 4.544 1.526 -4.736 889 HE1 TYR 119 HE1 TYR 119 7.660 -2.189 -5.558 890 HE2 TYR 119 HE2 TYR 119 4.573 -0.403 -3.220 891 HH TYR 119 HH TYR 119 6.986 -2.927 -3.504 892 H LYS 120 H LYS 120 5.524 -0.581 -9.496 893 HA LYS 120 HA LYS 120 2.678 -0.941 -8.849 894 HB2 LYS 120 HB2 LYS 120 4.434 -2.158 -10.976 895 HB3 LYS 120 HB3 LYS 120 2.827 -2.762 -10.610 896 HG2 LYS 120 HG2 LYS 120 1.813 -0.763 -11.335 897 HG3 LYS 120 HG3 LYS 120 3.359 0.088 -11.394 898 HD2 LYS 120 HD2 LYS 120 4.092 -1.492 -13.154 899 HD3 LYS 120 HD3 LYS 120 2.471 -2.198 -13.142 900 HE2 LYS 120 HE2 LYS 120 1.511 -0.348 -14.100 901 HE3 LYS 120 HE3 LYS 120 2.761 0.738 -13.496 902 HZ1 LYS 120 HZ1 LYS 120 3.258 0.599 -15.734 903 HZ2 LYS 120 HZ2 LYS 120 2.841 -1.037 -15.844 904 HZ3 LYS 120 HZ3 LYS 120 4.287 -0.585 -15.081 905 H ARG 121 H ARG 121 1.968 -2.751 -7.821 906 HA ARG 121 HA ARG 121 3.879 -4.827 -7.090 907 HB2 ARG 121 HB2 ARG 121 2.606 -4.603 -4.722 908 HB3 ARG 121 HB3 ARG 121 4.157 -3.847 -5.068 909 HG2 ARG 121 HG2 ARG 121 3.280 -1.754 -5.127 910 HG3 ARG 121 HG3 ARG 121 1.719 -2.302 -5.742 911 HD2 ARG 121 HD2 ARG 121 1.613 -1.438 -3.430 912 HD3 ARG 121 HD3 ARG 121 1.092 -3.116 -3.578 913 HE ARG 121 HE ARG 121 3.869 -2.708 -2.841 914 HH11 ARG 121 HH11 ARG 121 0.546 -3.258 -1.790 915 HH12 ARG 121 HH12 ARG 121 1.056 -3.931 -0.191 916 HH21 ARG 121 HH21 ARG 121 4.550 -3.581 -0.835 917 HH22 ARG 121 HH22 ARG 121 3.296 -4.120 0.340 918 H THR 122 H THR 122 3.007 -6.715 -7.446 919 HA THR 122 HA THR 122 0.081 -6.927 -7.600 920 HB THR 122 HB THR 122 2.167 -8.769 -8.790 921 HG1 THR 122 HG1 THR 122 1.444 -6.367 -9.587 922 HG21 THR 122 HG21 THR 122 -0.029 -9.808 -8.302 923 HG22 THR 122 HG22 THR 122 0.337 -9.749 -10.027 924 HG23 THR 122 HG23 THR 122 -0.797 -8.593 -9.323 925 H SER 123 H SER 123 -0.904 -8.001 -6.028 926 HA SER 123 HA SER 123 0.638 -10.015 -4.532 927 HB2 SER 123 HB2 SER 123 -1.542 -8.258 -3.390 928 HB3 SER 123 HB3 SER 123 -0.458 -9.331 -2.504 929 HG SER 123 HG SER 123 0.041 -6.822 -3.649 930 H LYS 124 H LYS 124 -0.283 -11.977 -4.358 931 HA LYS 124 HA LYS 124 -2.696 -12.481 -5.839 932 HB2 LYS 124 HB2 LYS 124 -2.308 -14.846 -5.229 933 HB3 LYS 124 HB3 LYS 124 -0.891 -14.098 -5.949 934 HG2 LYS 124 HG2 LYS 124 0.073 -13.807 -3.711 935 HG3 LYS 124 HG3 LYS 124 -1.345 -14.606 -3.020 936 HD2 LYS 124 HD2 LYS 124 -0.793 -16.669 -4.011 937 HD3 LYS 124 HD3 LYS 124 0.346 -15.923 -5.132 938 HE2 LYS 124 HE2 LYS 124 0.861 -15.656 -2.217 939 HE3 LYS 124 HE3 LYS 124 1.158 -17.218 -2.975 940 HZ1 LYS 124 HZ1 LYS 124 2.593 -14.709 -3.274 941 HZ2 LYS 124 HZ2 LYS 124 2.383 -15.594 -4.703 942 HZ3 LYS 124 HZ3 LYS 124 3.164 -16.299 -3.372 943 H LYS 125 H LYS 125 -4.561 -13.519 -4.985 944 HA LYS 125 HA LYS 125 -5.237 -12.533 -2.316 945 HB2 LYS 125 HB2 LYS 125 -6.671 -12.047 -4.403 946 HB3 LYS 125 HB3 LYS 125 -7.160 -13.730 -4.318 947 HG2 LYS 125 HG2 LYS 125 -7.537 -11.764 -2.066 948 HG3 LYS 125 HG3 LYS 125 -8.758 -12.112 -3.288 949 HD2 LYS 125 HD2 LYS 125 -8.176 -14.615 -2.489 950 HD3 LYS 125 HD3 LYS 125 -7.835 -13.736 -0.998 951 HE2 LYS 125 HE2 LYS 125 -10.100 -14.450 -0.927 952 HE3 LYS 125 HE3 LYS 125 -10.093 -12.705 -1.178 953 HZ1 LYS 125 HZ1 LYS 125 -10.587 -14.803 -3.219 954 HZ2 LYS 125 HZ2 LYS 125 -10.403 -13.161 -3.581 955 HZ3 LYS 125 HZ3 LYS 125 -11.697 -13.674 -2.624 956 H ILE 126 H ILE 126 -5.432 -13.853 -0.643 957 HA ILE 126 HA ILE 126 -6.105 -16.661 -1.097 958 HB ILE 126 HB ILE 126 -4.110 -16.370 1.026 959 HG12 ILE 126 HG12 ILE 126 -2.262 -16.537 -0.872 960 HG13 ILE 126 HG13 ILE 126 -3.412 -15.546 -1.761 961 HG21 ILE 126 HG21 ILE 126 -4.961 -18.507 0.281 962 HG22 ILE 126 HG22 ILE 126 -3.222 -18.405 0.001 963 HG23 ILE 126 HG23 ILE 126 -4.346 -18.210 -1.343 964 HD11 ILE 126 HD11 ILE 126 -2.129 -14.887 0.877 965 HD12 ILE 126 HD12 ILE 126 -3.351 -13.898 0.070 966 HD13 ILE 126 HD13 ILE 126 -1.782 -14.151 -0.690 967 H ALA 127 H ALA 127 -6.613 -17.756 1.011 968 HA ALA 127 HA ALA 127 -7.396 -16.027 3.192 969 HB1 ALA 127 HB1 ALA 127 -9.329 -15.981 1.574 970 HB2 ALA 127 HB2 ALA 127 -9.719 -16.582 3.188 971 HB3 ALA 127 HB3 ALA 127 -9.506 -17.714 1.852 972 H11 CHO 200 H11 CHO 200 5.860 -0.011 -1.176 973 H12 CHO 200 H12 CHO 200 6.418 -1.133 0.101 974 H21 CHO 200 H21 CHO 200 4.716 -0.269 1.638 975 H22 CHO 200 H22 CHO 200 3.958 -0.848 0.127 976 H3 CHO 200 H3 CHO 200 3.832 1.459 -0.716 977 HO3 CHO 200 HO3 CHO 200 2.070 0.708 0.570 978 H41 CHO 200 H41 CHO 200 5.005 2.198 2.006 979 H42 CHO 200 H42 CHO 200 4.448 3.344 0.762 980 H5 CHO 200 H5 CHO 200 6.131 2.445 -0.816 981 H61 CHO 200 H61 CHO 200 6.666 4.370 0.684 982 H62 CHO 200 H62 CHO 200 8.107 3.407 0.291 983 H7 CHO 200 H7 CHO 200 8.060 3.924 2.694 984 HO7 CHO 200 HO7 CHO 200 5.690 4.073 2.815 985 H8 CHO 200 H8 CHO 200 9.002 1.786 2.019 986 H9 CHO 200 H9 CHO 200 6.184 0.706 2.452 987 H111 CHO 200 H111 CHO 200 8.711 -0.761 1.632 988 H112 CHO 200 H112 CHO 200 7.067 -1.453 1.851 989 H121 CHO 200 H121 CHO 200 8.557 -1.898 3.799 990 H122 CHO 200 H122 CHO 200 7.125 -0.940 4.232 991 H14 CHO 200 H14 CHO 200 7.247 1.609 4.432 992 H151 CHO 200 H151 CHO 200 8.794 3.411 4.939 993 H152 CHO 200 H152 CHO 200 10.119 2.684 4.096 994 H161 CHO 200 H161 CHO 200 9.043 2.079 6.836 995 H162 CHO 200 H162 CHO 200 10.647 1.732 6.227 996 H17 CHO 200 H17 CHO 200 8.230 -0.048 6.232 997 H181 CHO 200 H181 CHO 200 10.578 1.230 3.220 998 H182 CHO 200 H182 CHO 200 10.248 -0.388 2.556 999 H183 CHO 200 H183 CHO 200 11.081 -0.220 4.119 1000 H191 CHO 200 H191 CHO 200 8.499 1.889 -0.633 1001 H192 CHO 200 H192 CHO 200 8.152 0.224 -1.159 1002 H193 CHO 200 H193 CHO 200 9.019 0.513 0.368 1003 H20 CHO 200 H20 CHO 200 11.113 -0.614 5.710 1004 H211 CHO 200 H211 CHO 200 9.579 -2.764 6.859 1005 H212 CHO 200 H212 CHO 200 10.480 -2.723 5.325 1006 H213 CHO 200 H213 CHO 200 8.780 -2.199 5.373 1007 H221 CHO 200 H221 CHO 200 9.443 -0.754 8.251 1008 H222 CHO 200 H222 CHO 200 10.770 0.398 7.907 1009 H231 CHO 200 H231 CHO 200 12.345 -1.500 7.711 1010 H232 CHO 200 H232 CHO 200 11.010 -2.619 8.127 1011 HN CHO 200 HN CHO 200 11.067 -3.308 10.178 1012 H261 CHO 200 H261 CHO 200 10.690 -2.103 12.472 1013 H262 CHO 200 H262 CHO 200 12.399 -1.667 12.215 1014 H11 CHO 201 H11 CHO 201 -6.401 4.361 0.417 1015 H12 CHO 201 H12 CHO 201 -4.982 5.148 -0.329 1016 H21 CHO 201 H21 CHO 201 -4.061 2.954 -0.939 1017 H22 CHO 201 H22 CHO 201 -5.706 3.152 -1.605 1018 H3 CHO 201 H3 CHO 201 -6.635 1.833 0.258 1019 HO3 CHO 201 HO3 CHO 201 -5.858 0.719 -1.650 1020 H41 CHO 201 H41 CHO 201 -3.716 1.522 1.101 1021 H42 CHO 201 H42 CHO 201 -5.114 0.719 1.857 1022 H5 CHO 201 H5 CHO 201 -6.070 2.925 2.430 1023 H61 CHO 201 H61 CHO 201 -4.551 1.736 4.012 1024 H62 CHO 201 H62 CHO 201 -4.484 3.508 4.197 1025 H7 CHO 201 H7 CHO 201 -2.220 2.605 4.234 1026 HO7 CHO 201 HO7 CHO 201 -2.660 0.665 3.003 1027 H8 CHO 201 H8 CHO 201 -2.508 4.760 3.174 1028 H9 CHO 201 H9 CHO 201 -2.862 3.160 0.599 1029 H111 CHO 201 H111 CHO 201 -2.877 6.164 0.989 1030 H112 CHO 201 H112 CHO 201 -3.078 5.243 -0.545 1031 H121 CHO 201 H121 CHO 201 -0.788 6.201 -0.285 1032 H122 CHO 201 H122 CHO 201 -0.791 4.435 -0.416 1033 H14 CHO 201 H14 CHO 201 -0.684 2.937 1.658 1034 H151 CHO 201 H151 CHO 201 0.111 2.959 3.996 1035 H152 CHO 201 H152 CHO 201 -0.151 4.638 4.204 1036 H161 CHO 201 H161 CHO 201 1.903 3.202 2.431 1037 H162 CHO 201 H162 CHO 201 2.182 4.624 3.409 1038 H17 CHO 201 H17 CHO 201 1.464 4.566 0.604 1039 H181 CHO 201 H181 CHO 201 -0.774 7.273 1.914 1040 H182 CHO 201 H182 CHO 201 -0.109 6.409 3.321 1041 H183 CHO 201 H183 CHO 201 -1.812 6.178 2.858 1042 H191 CHO 201 H191 CHO 201 -4.727 6.237 1.836 1043 H192 CHO 201 H192 CHO 201 -4.130 5.318 3.239 1044 H193 CHO 201 H193 CHO 201 -5.853 5.252 2.799 1045 H20 CHO 201 H20 CHO 201 1.537 6.864 2.534 1046 H211 CHO 201 H211 CHO 201 1.142 6.675 -0.419 1047 H212 CHO 201 H212 CHO 201 2.203 7.967 0.196 1048 H213 CHO 201 H213 CHO 201 0.515 7.860 0.752 1049 H221 CHO 201 H221 CHO 201 3.647 5.703 0.680 1050 H222 CHO 201 H222 CHO 201 3.618 5.586 2.469 1051 H231 CHO 201 H231 CHO 201 3.720 8.059 2.608 1052 H232 CHO 201 H232 CHO 201 3.844 8.123 0.821 1053 HN CHO 201 HN CHO 201 5.348 5.751 3.067 1054 H261 CHO 201 H261 CHO 201 8.015 6.850 2.396 1055 H262 CHO 201 H262 CHO 201 7.648 5.115 2.243 Start of MODEL 7 1 H ALA 1 H ALA 1 -14.626 -7.673 -2.768 2 HA ALA 1 HA ALA 1 -13.675 -8.825 -4.640 3 HB1 ALA 1 HB1 ALA 1 -13.521 -6.095 -5.909 4 HB2 ALA 1 HB2 ALA 1 -14.628 -7.383 -6.383 5 HB3 ALA 1 HB3 ALA 1 -12.886 -7.596 -6.583 6 H PHE 2 H PHE 2 -13.048 -6.380 -2.486 7 HA PHE 2 HA PHE 2 -10.152 -6.509 -2.908 8 HB2 PHE 2 HB2 PHE 2 -11.937 -4.573 -1.465 9 HB3 PHE 2 HB3 PHE 2 -10.224 -4.666 -1.071 10 HD1 PHE 2 HD1 PHE 2 -8.545 -4.307 -2.919 11 HD2 PHE 2 HD2 PHE 2 -12.675 -3.387 -3.339 12 HE1 PHE 2 HE1 PHE 2 -8.023 -2.850 -4.826 13 HE2 PHE 2 HE2 PHE 2 -12.156 -1.929 -5.249 14 HZ PHE 2 HZ PHE 2 -9.831 -1.659 -5.991 15 H THR 3 H THR 3 -12.656 -7.538 -0.731 16 HA THR 3 HA THR 3 -11.256 -7.917 1.622 17 HB THR 3 HB THR 3 -13.204 -9.992 0.708 18 HG1 THR 3 HG1 THR 3 -14.895 -8.521 1.124 19 HG21 THR 3 HG21 THR 3 -12.144 -10.026 2.966 20 HG22 THR 3 HG22 THR 3 -13.905 -9.907 3.006 21 HG23 THR 3 HG23 THR 3 -12.916 -8.473 3.300 22 H GLY 4 H GLY 4 -9.847 -9.395 2.378 23 HA2 GLY 4 HA2 GLY 4 -9.243 -11.880 2.070 24 HA3 GLY 4 HA3 GLY 4 -8.881 -11.364 0.434 25 H LYS 5 H LYS 5 -6.949 -12.558 1.757 26 HA LYS 5 HA LYS 5 -5.228 -10.430 2.780 27 HB2 LYS 5 HB2 LYS 5 -4.373 -11.957 4.186 28 HB3 LYS 5 HB3 LYS 5 -5.642 -13.050 3.649 29 HG2 LYS 5 HG2 LYS 5 -3.997 -13.614 1.738 30 HG3 LYS 5 HG3 LYS 5 -2.778 -12.921 2.807 31 HD2 LYS 5 HD2 LYS 5 -4.591 -15.261 3.357 32 HD3 LYS 5 HD3 LYS 5 -2.842 -15.291 3.144 33 HE2 LYS 5 HE2 LYS 5 -2.548 -14.014 5.184 34 HE3 LYS 5 HE3 LYS 5 -4.296 -13.892 5.383 35 HZ1 LYS 5 HZ1 LYS 5 -3.634 -15.637 6.765 36 HZ2 LYS 5 HZ2 LYS 5 -2.601 -16.302 5.602 37 HZ3 LYS 5 HZ3 LYS 5 -4.281 -16.407 5.397 38 H TYR 6 H TYR 6 -3.221 -10.016 1.836 39 HA TYR 6 HA TYR 6 -2.819 -11.246 -0.806 40 HB2 TYR 6 HB2 TYR 6 -2.509 -8.327 -0.088 41 HB3 TYR 6 HB3 TYR 6 -2.046 -9.039 -1.628 42 HD1 TYR 6 HD1 TYR 6 -3.863 -10.138 -3.025 43 HD2 TYR 6 HD2 TYR 6 -4.701 -7.584 0.271 44 HE1 TYR 6 HE1 TYR 6 -6.137 -9.784 -3.886 45 HE2 TYR 6 HE2 TYR 6 -6.980 -7.225 -0.580 46 HH TYR 6 HH TYR 6 -8.309 -7.454 -2.414 47 H GLU 7 H GLU 7 -0.762 -11.680 -1.396 48 HA GLU 7 HA GLU 7 1.381 -11.021 0.514 49 HB2 GLU 7 HB2 GLU 7 0.750 -13.650 -0.794 50 HB3 GLU 7 HB3 GLU 7 2.378 -13.269 -0.261 51 HG2 GLU 7 HG2 GLU 7 1.646 -13.050 2.009 52 HG3 GLU 7 HG3 GLU 7 -0.038 -13.243 1.524 53 H PHE 8 H PHE 8 3.522 -11.034 -0.430 54 HA PHE 8 HA PHE 8 3.743 -9.528 -2.746 55 HB2 PHE 8 HB2 PHE 8 5.554 -9.552 -1.167 56 HB3 PHE 8 HB3 PHE 8 5.764 -11.290 -1.343 57 HD1 PHE 8 HD1 PHE 8 5.677 -8.311 -3.606 58 HD2 PHE 8 HD2 PHE 8 7.638 -11.925 -2.500 59 HE1 PHE 8 HE1 PHE 8 7.352 -7.942 -5.366 60 HE2 PHE 8 HE2 PHE 8 9.317 -11.552 -4.255 61 HZ PHE 8 HZ PHE 8 9.172 -9.559 -5.692 62 H GLU 9 H GLU 9 3.701 -9.981 -4.831 63 HA GLU 9 HA GLU 9 4.074 -12.758 -5.719 64 HB2 GLU 9 HB2 GLU 9 1.734 -12.318 -5.846 65 HB3 GLU 9 HB3 GLU 9 2.011 -10.758 -6.607 66 HG2 GLU 9 HG2 GLU 9 1.407 -12.032 -8.393 67 HG3 GLU 9 HG3 GLU 9 3.153 -12.174 -8.459 68 H SER 10 H SER 10 3.934 -9.384 -6.812 69 HA SER 10 HA SER 10 6.456 -9.705 -8.218 70 HB2 SER 10 HB2 SER 10 3.931 -8.913 -9.699 71 HB3 SER 10 HB3 SER 10 5.550 -8.981 -10.376 72 HG SER 10 HG SER 10 5.163 -11.329 -9.319 73 H ASP 11 H ASP 11 7.207 -7.582 -9.104 74 HA ASP 11 HA ASP 11 5.877 -5.212 -8.191 75 HB2 ASP 11 HB2 ASP 11 7.427 -4.436 -6.597 76 HB3 ASP 11 HB3 ASP 11 7.181 -6.121 -6.164 77 H GLU 12 H GLU 12 6.812 -3.306 -9.044 78 HA GLU 12 HA GLU 12 9.008 -3.670 -10.944 79 HB2 GLU 12 HB2 GLU 12 7.160 -3.992 -12.390 80 HB3 GLU 12 HB3 GLU 12 6.228 -2.743 -11.590 81 HG2 GLU 12 HG2 GLU 12 7.841 -1.057 -12.492 82 HG3 GLU 12 HG3 GLU 12 8.582 -2.358 -13.420 83 H ASN 13 H ASN 13 10.249 -1.914 -11.192 84 HA ASN 13 HA ASN 13 11.259 0.063 -10.734 85 HB2 ASN 13 HB2 ASN 13 8.373 0.916 -10.643 86 HB3 ASN 13 HB3 ASN 13 9.664 2.054 -10.281 87 HD21 ASN 13 HD21 ASN 13 7.785 2.216 -12.400 88 HD22 ASN 13 HD22 ASN 13 8.681 2.160 -13.883 89 H TYR 14 H TYR 14 10.781 -1.816 -8.547 90 HA TYR 14 HA TYR 14 9.908 -0.557 -6.210 91 HB2 TYR 14 HB2 TYR 14 10.340 -3.003 -6.407 92 HB3 TYR 14 HB3 TYR 14 12.068 -2.671 -6.403 93 HD1 TYR 14 HD1 TYR 14 13.172 -1.855 -4.363 94 HD2 TYR 14 HD2 TYR 14 9.047 -2.901 -4.367 95 HE1 TYR 14 HE1 TYR 14 13.186 -1.882 -1.907 96 HE2 TYR 14 HE2 TYR 14 9.053 -2.940 -1.905 97 HH TYR 14 HH TYR 14 12.003 -2.200 -0.060 98 H ASP 15 H ASP 15 13.322 -1.085 -7.162 99 HA ASP 15 HA ASP 15 14.371 0.569 -5.152 100 HB2 ASP 15 HB2 ASP 15 15.584 -0.172 -7.806 101 HB3 ASP 15 HB3 ASP 15 16.457 0.609 -6.499 102 H ASP 16 H ASP 16 13.516 1.268 -8.509 103 HA ASP 16 HA ASP 16 14.509 3.874 -8.635 104 HB2 ASP 16 HB2 ASP 16 12.701 2.219 -10.174 105 HB3 ASP 16 HB3 ASP 16 12.177 3.899 -10.165 106 H PHE 17 H PHE 17 11.445 2.629 -7.423 107 HA PHE 17 HA PHE 17 10.228 5.146 -6.963 108 HB2 PHE 17 HB2 PHE 17 8.923 3.098 -7.134 109 HB3 PHE 17 HB3 PHE 17 9.713 2.448 -5.700 110 HD1 PHE 17 HD1 PHE 17 7.715 5.409 -6.770 111 HD2 PHE 17 HD2 PHE 17 8.633 2.632 -3.687 112 HE1 PHE 17 HE1 PHE 17 5.948 6.387 -5.373 113 HE2 PHE 17 HE2 PHE 17 6.866 3.601 -2.283 114 HZ PHE 17 HZ PHE 17 5.515 5.481 -3.127 115 H VAL 18 H VAL 18 11.714 2.815 -4.729 116 HA VAL 18 HA VAL 18 11.501 4.405 -2.440 117 HB VAL 18 HB VAL 18 13.198 2.922 -1.454 118 HG11 VAL 18 HG11 VAL 18 11.134 1.444 -3.081 119 HG12 VAL 18 HG12 VAL 18 10.825 2.283 -1.562 120 HG13 VAL 18 HG13 VAL 18 11.900 0.888 -1.592 121 HG21 VAL 18 HG21 VAL 18 14.766 2.402 -3.055 122 HG22 VAL 18 HG22 VAL 18 13.551 2.097 -4.299 123 HG23 VAL 18 HG23 VAL 18 13.811 0.920 -3.008 124 H LYS 19 H LYS 19 14.043 4.246 -4.890 125 HA LYS 19 HA LYS 19 15.856 5.908 -3.453 126 HB2 LYS 19 HB2 LYS 19 15.682 5.157 -6.375 127 HB3 LYS 19 HB3 LYS 19 16.974 6.150 -5.704 128 HG2 LYS 19 HG2 LYS 19 16.320 3.436 -4.632 129 HG3 LYS 19 HG3 LYS 19 17.430 3.667 -5.983 130 HD2 LYS 19 HD2 LYS 19 19.055 4.553 -4.656 131 HD3 LYS 19 HD3 LYS 19 17.894 5.287 -3.548 132 HE2 LYS 19 HE2 LYS 19 17.627 3.355 -2.334 133 HE3 LYS 19 HE3 LYS 19 18.082 2.320 -3.683 134 HZ1 LYS 19 HZ1 LYS 19 20.360 2.899 -3.391 135 HZ2 LYS 19 HZ2 LYS 19 19.755 2.431 -1.882 136 HZ3 LYS 19 HZ3 LYS 19 19.984 4.069 -2.230 137 H LYS 20 H LYS 20 13.189 6.467 -5.624 138 HA LYS 20 HA LYS 20 13.785 9.212 -6.175 139 HB2 LYS 20 HB2 LYS 20 12.380 7.638 -7.598 140 HB3 LYS 20 HB3 LYS 20 11.103 7.867 -6.413 141 HG2 LYS 20 HG2 LYS 20 10.515 9.429 -7.964 142 HG3 LYS 20 HG3 LYS 20 11.531 10.402 -6.896 143 HD2 LYS 20 HD2 LYS 20 13.394 10.200 -8.379 144 HD3 LYS 20 HD3 LYS 20 12.540 9.021 -9.375 145 HE2 LYS 20 HE2 LYS 20 10.936 10.689 -10.052 146 HE3 LYS 20 HE3 LYS 20 11.660 11.873 -8.968 147 HZ1 LYS 20 HZ1 LYS 20 12.966 10.642 -11.331 148 HZ2 LYS 20 HZ2 LYS 20 13.708 11.724 -10.266 149 HZ3 LYS 20 HZ3 LYS 20 12.406 12.236 -11.213 150 H ILE 21 H ILE 21 11.525 7.543 -3.982 151 HA ILE 21 HA ILE 21 10.462 9.994 -2.952 152 HB ILE 21 HB ILE 21 9.390 8.580 -1.216 153 HG12 ILE 21 HG12 ILE 21 10.583 6.231 -2.690 154 HG13 ILE 21 HG13 ILE 21 11.275 6.872 -1.207 155 HG21 ILE 21 HG21 ILE 21 7.871 7.459 -2.743 156 HG22 ILE 21 HG22 ILE 21 9.067 7.556 -4.034 157 HG23 ILE 21 HG23 ILE 21 8.338 9.030 -3.399 158 HD11 ILE 21 HD11 ILE 21 8.523 5.712 -1.534 159 HD12 ILE 21 HD12 ILE 21 9.167 6.405 -0.046 160 HD13 ILE 21 HD13 ILE 21 9.900 4.956 -0.731 161 H GLY 22 H GLY 22 13.351 8.362 -2.402 162 HA2 GLY 22 HA2 GLY 22 15.108 9.066 -1.054 163 HA3 GLY 22 HA3 GLY 22 14.012 10.185 -0.260 164 H LEU 23 H LEU 23 13.296 6.790 -0.581 165 HA LEU 23 HA LEU 23 12.919 6.483 2.211 166 HB2 LEU 23 HB2 LEU 23 11.820 5.172 0.303 167 HB3 LEU 23 HB3 LEU 23 13.313 4.261 0.210 168 HG LEU 23 HG LEU 23 12.982 3.511 2.548 169 HD11 LEU 23 HD11 LEU 23 11.255 4.150 3.864 170 HD12 LEU 23 HD12 LEU 23 10.150 4.351 2.506 171 HD13 LEU 23 HD13 LEU 23 11.338 5.603 2.867 172 HD21 LEU 23 HD21 LEU 23 11.939 2.485 0.309 173 HD22 LEU 23 HD22 LEU 23 10.449 2.788 1.199 174 HD23 LEU 23 HD23 LEU 23 11.698 1.760 1.895 175 HA PRO 24 HA PRO 24 17.187 5.774 3.312 176 HB2 PRO 24 HB2 PRO 24 16.726 4.522 5.716 177 HB3 PRO 24 HB3 PRO 24 16.661 6.281 5.493 178 HG2 PRO 24 HG2 PRO 24 14.449 4.310 5.592 179 HG3 PRO 24 HG3 PRO 24 14.564 5.924 6.299 180 HD2 PRO 24 HD2 PRO 24 13.177 5.462 4.045 181 HD3 PRO 24 HD3 PRO 24 14.050 6.984 4.313 182 H ALA 25 H ALA 25 18.578 4.151 2.931 183 HA ALA 25 HA ALA 25 17.821 1.764 1.717 184 HB1 ALA 25 HB1 ALA 25 20.034 2.693 1.422 185 HB2 ALA 25 HB2 ALA 25 20.161 1.049 2.058 186 HB3 ALA 25 HB3 ALA 25 20.394 2.428 3.128 187 H ASP 26 H ASP 26 18.505 2.500 5.051 188 HA ASP 26 HA ASP 26 18.719 -0.043 6.122 189 HB2 ASP 26 HB2 ASP 26 19.235 1.990 7.380 190 HB3 ASP 26 HB3 ASP 26 17.539 2.455 7.367 191 H LYS 27 H LYS 27 15.855 1.844 5.313 192 HA LYS 27 HA LYS 27 14.098 -0.197 6.443 193 HB2 LYS 27 HB2 LYS 27 13.286 2.316 4.989 194 HB3 LYS 27 HB3 LYS 27 12.288 1.312 6.026 195 HG2 LYS 27 HG2 LYS 27 14.645 2.953 6.936 196 HG3 LYS 27 HG3 LYS 27 12.945 3.380 7.142 197 HD2 LYS 27 HD2 LYS 27 12.611 1.396 8.518 198 HD3 LYS 27 HD3 LYS 27 14.302 0.947 8.298 199 HE2 LYS 27 HE2 LYS 27 14.676 3.406 9.215 200 HE3 LYS 27 HE3 LYS 27 13.101 3.106 9.945 201 HZ1 LYS 27 HZ1 LYS 27 15.547 1.461 10.296 202 HZ2 LYS 27 HZ2 LYS 27 14.029 1.094 10.949 203 HZ3 LYS 27 HZ3 LYS 27 14.844 2.487 11.452 204 H ILE 28 H ILE 28 15.180 1.048 3.370 205 HA ILE 28 HA ILE 28 13.278 -0.061 1.664 206 HB ILE 28 HB ILE 28 16.233 0.372 1.177 207 HG12 ILE 28 HG12 ILE 28 13.853 2.006 0.284 208 HG13 ILE 28 HG13 ILE 28 14.899 2.417 1.641 209 HG21 ILE 28 HG21 ILE 28 15.318 -1.315 -0.343 210 HG22 ILE 28 HG22 ILE 28 15.745 0.168 -1.195 211 HG23 ILE 28 HG23 ILE 28 14.055 -0.185 -0.831 212 HD11 ILE 28 HD11 ILE 28 16.798 2.603 0.125 213 HD12 ILE 28 HD12 ILE 28 15.487 3.685 -0.348 214 HD13 ILE 28 HD13 ILE 28 15.753 2.182 -1.231 215 H GLU 29 H GLU 29 16.486 -1.404 2.440 216 HA GLU 29 HA GLU 29 16.015 -3.895 1.196 217 HB2 GLU 29 HB2 GLU 29 18.019 -3.253 3.365 218 HB3 GLU 29 HB3 GLU 29 18.096 -4.597 2.233 219 HG2 GLU 29 HG2 GLU 29 18.273 -1.674 1.513 220 HG3 GLU 29 HG3 GLU 29 19.619 -2.810 1.595 221 H MET 30 H MET 30 15.201 -2.617 4.245 222 HA MET 30 HA MET 30 14.892 -5.029 5.698 223 HB2 MET 30 HB2 MET 30 15.181 -2.692 6.633 224 HB3 MET 30 HB3 MET 30 13.528 -2.366 6.145 225 HG2 MET 30 HG2 MET 30 13.805 -2.905 8.529 226 HG3 MET 30 HG3 MET 30 12.679 -3.957 7.676 227 HE1 MET 30 HE1 MET 30 12.607 -6.187 8.958 228 HE2 MET 30 HE2 MET 30 13.792 -7.339 8.340 229 HE3 MET 30 HE3 MET 30 12.914 -6.291 7.223 230 H GLY 31 H GLY 31 12.813 -3.029 3.668 231 HA2 GLY 31 HA2 GLY 31 10.624 -4.968 4.086 232 HA3 GLY 31 HA3 GLY 31 10.403 -3.292 3.615 233 H ARG 32 H ARG 32 12.883 -5.228 2.083 234 HA ARG 32 HA ARG 32 11.266 -5.094 -0.367 235 HB2 ARG 32 HB2 ARG 32 13.208 -4.934 -1.657 236 HB3 ARG 32 HB3 ARG 32 13.537 -3.921 -0.264 237 HG2 ARG 32 HG2 ARG 32 14.935 -5.611 0.707 238 HG3 ARG 32 HG3 ARG 32 14.505 -6.752 -0.570 239 HD2 ARG 32 HD2 ARG 32 15.999 -4.152 -0.920 240 HD3 ARG 32 HD3 ARG 32 16.696 -5.768 -0.988 241 HE ARG 32 HE ARG 32 15.063 -6.078 -2.936 242 HH11 ARG 32 HH11 ARG 32 16.744 -3.074 -2.123 243 HH12 ARG 32 HH12 ARG 32 16.598 -2.417 -3.811 244 HH21 ARG 32 HH21 ARG 32 14.896 -5.288 -5.070 245 HH22 ARG 32 HH22 ARG 32 15.558 -3.646 -5.451 246 H ASN 33 H ASN 33 10.776 -6.839 -1.514 247 HA ASN 33 HA ASN 33 10.329 -9.007 -1.984 248 HB2 ASN 33 HB2 ASN 33 13.047 -8.737 -2.091 249 HB3 ASN 33 HB3 ASN 33 12.874 -10.076 -0.962 250 HD21 ASN 33 HD21 ASN 33 12.107 -8.944 -4.179 251 HD22 ASN 33 HD22 ASN 33 11.870 -10.507 -4.886 252 H CYS 34 H CYS 34 9.874 -7.918 0.733 253 HA CYS 34 HA CYS 34 10.093 -10.270 2.430 254 HB2 CYS 34 HB2 CYS 34 9.150 -7.447 2.959 255 HB3 CYS 34 HB3 CYS 34 9.144 -8.716 4.173 256 HG CYS 34 HG CYS 34 11.336 -7.030 4.650 257 H LYS 35 H LYS 35 8.295 -11.278 3.386 258 HA LYS 35 HA LYS 35 6.016 -11.416 1.654 259 HB2 LYS 35 HB2 LYS 35 5.234 -13.055 3.547 260 HB3 LYS 35 HB3 LYS 35 6.507 -13.515 2.427 261 HG2 LYS 35 HG2 LYS 35 7.541 -12.183 4.792 262 HG3 LYS 35 HG3 LYS 35 6.618 -13.634 5.175 263 HD2 LYS 35 HD2 LYS 35 7.985 -14.926 3.614 264 HD3 LYS 35 HD3 LYS 35 8.896 -13.474 3.206 265 HE2 LYS 35 HE2 LYS 35 9.736 -13.310 5.449 266 HE3 LYS 35 HE3 LYS 35 8.714 -14.649 5.970 267 HZ1 LYS 35 HZ1 LYS 35 11.022 -15.325 5.576 268 HZ2 LYS 35 HZ2 LYS 35 10.888 -14.856 3.956 269 HZ3 LYS 35 HZ3 LYS 35 9.946 -16.130 4.548 270 H ILE 36 H ILE 36 5.357 -9.189 1.960 271 HA ILE 36 HA ILE 36 4.193 -8.430 4.479 272 HB ILE 36 HB ILE 36 3.735 -7.098 1.809 273 HG12 ILE 36 HG12 ILE 36 6.131 -7.219 2.153 274 HG13 ILE 36 HG13 ILE 36 5.582 -5.578 2.461 275 HG21 ILE 36 HG21 ILE 36 3.190 -5.140 3.100 276 HG22 ILE 36 HG22 ILE 36 3.644 -5.953 4.599 277 HG23 ILE 36 HG23 ILE 36 2.230 -6.496 3.697 278 HD11 ILE 36 HD11 ILE 36 7.212 -6.220 4.092 279 HD12 ILE 36 HD12 ILE 36 6.264 -7.646 4.519 280 HD13 ILE 36 HD13 ILE 36 5.638 -6.035 4.865 281 H VAL 37 H VAL 37 2.316 -9.145 5.151 282 HA VAL 37 HA VAL 37 0.401 -10.202 3.195 283 HB VAL 37 HB VAL 37 0.141 -10.447 6.187 284 HG11 VAL 37 HG11 VAL 37 -0.952 -12.163 3.960 285 HG12 VAL 37 HG12 VAL 37 -1.848 -10.876 4.768 286 HG13 VAL 37 HG13 VAL 37 -1.323 -12.289 5.681 287 HG21 VAL 37 HG21 VAL 37 1.489 -12.417 4.338 288 HG22 VAL 37 HG22 VAL 37 1.213 -12.624 6.067 289 HG23 VAL 37 HG23 VAL 37 2.320 -11.377 5.493 290 H THR 38 H THR 38 -1.278 -9.024 2.622 291 HA THR 38 HA THR 38 -2.081 -6.784 4.359 292 HB THR 38 HB THR 38 -2.589 -7.111 1.392 293 HG1 THR 38 HG1 THR 38 -0.385 -6.739 1.817 294 HG21 THR 38 HG21 THR 38 -3.127 -4.661 1.564 295 HG22 THR 38 HG22 THR 38 -3.107 -4.849 3.317 296 HG23 THR 38 HG23 THR 38 -4.288 -5.731 2.349 297 H GLU 39 H GLU 39 -3.729 -7.433 5.608 298 HA GLU 39 HA GLU 39 -5.761 -9.203 4.470 299 HB2 GLU 39 HB2 GLU 39 -5.086 -8.382 7.279 300 HB3 GLU 39 HB3 GLU 39 -6.626 -9.142 6.899 301 HG2 GLU 39 HG2 GLU 39 -5.394 -11.058 5.945 302 HG3 GLU 39 HG3 GLU 39 -3.888 -10.311 6.476 303 H VAL 40 H VAL 40 -7.492 -8.364 3.601 304 HA VAL 40 HA VAL 40 -8.372 -5.682 4.439 305 HB VAL 40 HB VAL 40 -9.015 -7.195 1.903 306 HG11 VAL 40 HG11 VAL 40 -9.678 -4.382 2.752 307 HG12 VAL 40 HG12 VAL 40 -10.813 -5.713 2.510 308 HG13 VAL 40 HG13 VAL 40 -9.934 -5.040 1.135 309 HG21 VAL 40 HG21 VAL 40 -7.075 -4.957 2.454 310 HG22 VAL 40 HG22 VAL 40 -7.599 -5.423 0.836 311 HG23 VAL 40 HG23 VAL 40 -6.717 -6.572 1.839 312 H VAL 41 H VAL 41 -10.212 -5.510 5.549 313 HA VAL 41 HA VAL 41 -12.096 -7.775 5.521 314 HB VAL 41 HB VAL 41 -11.670 -5.652 7.633 315 HG11 VAL 41 HG11 VAL 41 -13.312 -6.829 8.963 316 HG12 VAL 41 HG12 VAL 41 -13.564 -7.998 7.667 317 HG13 VAL 41 HG13 VAL 41 -14.027 -6.311 7.438 318 HG21 VAL 41 HG21 VAL 41 -11.092 -8.608 7.650 319 HG22 VAL 41 HG22 VAL 41 -10.919 -7.521 9.026 320 HG23 VAL 41 HG23 VAL 41 -9.904 -7.306 7.599 321 H GLN 42 H GLN 42 -14.029 -7.420 4.618 322 HA GLN 42 HA GLN 42 -14.612 -4.798 3.573 323 HB2 GLN 42 HB2 GLN 42 -16.607 -5.944 2.561 324 HB3 GLN 42 HB3 GLN 42 -15.056 -6.627 2.112 325 HG2 GLN 42 HG2 GLN 42 -15.374 -8.487 3.558 326 HG3 GLN 42 HG3 GLN 42 -16.818 -7.768 4.272 327 HE21 GLN 42 HE21 GLN 42 -18.743 -7.828 3.137 328 HE22 GLN 42 HE22 GLN 42 -18.965 -8.812 1.732 329 H ASN 43 H ASN 43 -15.709 -3.294 4.573 330 HA ASN 43 HA ASN 43 -17.982 -4.009 6.239 331 HB2 ASN 43 HB2 ASN 43 -15.517 -3.149 7.394 332 HB3 ASN 43 HB3 ASN 43 -16.642 -1.798 7.513 333 HD21 ASN 43 HD21 ASN 43 -15.636 -3.089 9.674 334 HD22 ASN 43 HD22 ASN 43 -16.900 -3.930 10.498 335 H GLY 44 H GLY 44 -19.030 -3.325 4.352 336 HA2 GLY 44 HA2 GLY 44 -20.283 -1.775 3.213 337 HA3 GLY 44 HA3 GLY 44 -19.946 -0.647 4.512 338 H ASN 45 H ASN 45 -18.475 0.951 4.232 339 HA ASN 45 HA ASN 45 -17.160 0.997 1.609 340 HB2 ASN 45 HB2 ASN 45 -18.530 3.070 3.181 341 HB3 ASN 45 HB3 ASN 45 -17.021 3.577 2.436 342 HD21 ASN 45 HD21 ASN 45 -19.121 1.132 1.082 343 HD22 ASN 45 HD22 ASN 45 -19.627 2.068 -0.303 344 H ASP 46 H ASP 46 -16.588 0.949 5.004 345 HA ASP 46 HA ASP 46 -13.971 2.040 4.805 346 HB2 ASP 46 HB2 ASP 46 -14.104 1.059 7.254 347 HB3 ASP 46 HB3 ASP 46 -14.818 2.585 6.825 348 H PHE 47 H PHE 47 -12.446 0.883 3.936 349 HA PHE 47 HA PHE 47 -12.375 -2.005 4.395 350 HB2 PHE 47 HB2 PHE 47 -10.906 -0.252 2.413 351 HB3 PHE 47 HB3 PHE 47 -10.605 -1.977 2.608 352 HD1 PHE 47 HD1 PHE 47 -12.220 -3.614 1.871 353 HD2 PHE 47 HD2 PHE 47 -12.934 0.555 1.378 354 HE1 PHE 47 HE1 PHE 47 -14.038 -4.117 0.294 355 HE2 PHE 47 HE2 PHE 47 -14.750 0.056 -0.199 356 HZ PHE 47 HZ PHE 47 -15.301 -2.279 -0.745 357 H THR 48 H THR 48 -10.844 -2.908 5.644 358 HA THR 48 HA THR 48 -8.968 -1.088 6.948 359 HB THR 48 HB THR 48 -8.612 -3.386 8.285 360 HG1 THR 48 HG1 THR 48 -10.777 -4.310 8.480 361 HG21 THR 48 HG21 THR 48 -10.494 -2.540 9.803 362 HG22 THR 48 HG22 THR 48 -10.708 -1.259 8.608 363 HG23 THR 48 HG23 THR 48 -9.170 -1.431 9.455 364 H TRP 49 H TRP 49 -6.955 -0.992 6.286 365 HA TRP 49 HA TRP 49 -5.860 -3.195 4.693 366 HB2 TRP 49 HB2 TRP 49 -5.724 -0.370 4.481 367 HB3 TRP 49 HB3 TRP 49 -4.100 -0.933 4.862 368 HD1 TRP 49 HD1 TRP 49 -2.707 -1.485 2.793 369 HE1 TRP 49 HE1 TRP 49 -3.188 -2.224 0.372 370 HE3 TRP 49 HE3 TRP 49 -7.802 -1.842 3.050 371 HZ2 TRP 49 HZ2 TRP 49 -5.431 -2.872 -1.211 372 HZ3 TRP 49 HZ3 TRP 49 -9.036 -2.523 1.038 373 HH2 TRP 49 HH2 TRP 49 -7.878 -3.025 -1.047 374 H THR 50 H THR 50 -4.982 -4.670 5.982 375 HA THR 50 HA THR 50 -3.372 -3.797 8.279 376 HB THR 50 HB THR 50 -4.120 -6.650 7.704 377 HG1 THR 50 HG1 THR 50 -6.076 -5.480 7.676 378 HG21 THR 50 HG21 THR 50 -2.476 -6.220 9.468 379 HG22 THR 50 HG22 THR 50 -3.981 -6.843 10.147 380 HG23 THR 50 HG23 THR 50 -3.609 -5.123 10.258 381 H GLN 51 H GLN 51 -1.228 -3.695 7.973 382 HA GLN 51 HA GLN 51 -0.009 -5.403 5.913 383 HB2 GLN 51 HB2 GLN 51 0.728 -2.768 7.124 384 HB3 GLN 51 HB3 GLN 51 2.007 -3.803 6.501 385 HG2 GLN 51 HG2 GLN 51 1.415 -2.237 4.812 386 HG3 GLN 51 HG3 GLN 51 0.842 -3.827 4.310 387 HE21 GLN 51 HE21 GLN 51 -1.261 -4.118 3.907 388 HE22 GLN 51 HE22 GLN 51 -2.471 -2.898 4.092 389 H HIS 52 H HIS 52 0.990 -7.168 6.585 390 HA HIS 52 HA HIS 52 1.993 -7.278 9.341 391 HB2 HIS 52 HB2 HIS 52 1.395 -9.504 7.380 392 HB3 HIS 52 HB3 HIS 52 2.073 -9.747 8.985 393 HD2 HIS 52 HD2 HIS 52 -1.307 -9.230 7.251 394 HE1 HIS 52 HE1 HIS 52 -1.983 -9.357 11.423 395 HE2 HIS 52 HE2 HIS 52 -3.033 -9.671 9.138 396 H PHE 53 H PHE 53 4.063 -7.319 9.755 397 HA PHE 53 HA PHE 53 5.912 -7.589 7.494 398 HB2 PHE 53 HB2 PHE 53 5.722 -5.419 8.935 399 HB3 PHE 53 HB3 PHE 53 6.643 -6.335 10.123 400 HD1 PHE 53 HD1 PHE 53 6.906 -6.304 6.430 401 HD2 PHE 53 HD2 PHE 53 8.733 -5.353 10.142 402 HE1 PHE 53 HE1 PHE 53 8.985 -5.727 5.251 403 HE2 PHE 53 HE2 PHE 53 10.822 -4.777 8.976 404 HZ PHE 53 HZ PHE 53 10.950 -4.962 6.527 405 HA PRO 54 HA PRO 54 7.125 -11.462 9.366 406 HB2 PRO 54 HB2 PRO 54 9.501 -11.675 7.944 407 HB3 PRO 54 HB3 PRO 54 7.912 -12.184 7.336 408 HG2 PRO 54 HG2 PRO 54 9.417 -9.677 6.812 409 HG3 PRO 54 HG3 PRO 54 8.452 -10.667 5.701 410 HD2 PRO 54 HD2 PRO 54 7.508 -8.392 6.709 411 HD3 PRO 54 HD3 PRO 54 6.450 -9.795 6.452 412 H GLY 55 H GLY 55 7.834 -11.367 11.389 413 HA2 GLY 55 HA2 GLY 55 9.215 -11.071 13.194 414 HA3 GLY 55 HA3 GLY 55 10.537 -10.991 12.042 415 H GLY 56 H GLY 56 7.890 -8.705 11.901 416 HA2 GLY 56 HA2 GLY 56 9.526 -6.711 13.285 417 HA3 GLY 56 HA3 GLY 56 9.134 -6.414 11.605 418 H ARG 57 H ARG 57 8.268 -4.447 12.652 419 HA ARG 57 HA ARG 57 5.969 -4.517 14.300 420 HB2 ARG 57 HB2 ARG 57 5.884 -2.164 14.023 421 HB3 ARG 57 HB3 ARG 57 7.585 -2.587 14.022 422 HG2 ARG 57 HG2 ARG 57 7.815 -1.497 12.104 423 HG3 ARG 57 HG3 ARG 57 6.764 -2.685 11.337 424 HD2 ARG 57 HD2 ARG 57 5.733 -0.643 10.870 425 HD3 ARG 57 HD3 ARG 57 4.829 -1.267 12.250 426 HE ARG 57 HE ARG 57 6.795 0.282 13.358 427 HH11 ARG 57 HH11 ARG 57 4.275 0.834 10.938 428 HH12 ARG 57 HH12 ARG 57 4.086 2.581 11.384 429 HH21 ARG 57 HH21 ARG 57 6.562 2.506 13.925 430 HH22 ARG 57 HH22 ARG 57 5.338 3.497 13.029 431 H THR 58 H THR 58 3.823 -4.114 13.824 432 HA THR 58 HA THR 58 3.061 -4.662 11.042 433 HB THR 58 HB THR 58 2.301 -6.237 12.849 434 HG1 THR 58 HG1 THR 58 1.136 -5.746 10.758 435 HG21 THR 58 HG21 THR 58 0.527 -5.614 14.332 436 HG22 THR 58 HG22 THR 58 0.436 -4.004 13.615 437 HG23 THR 58 HG23 THR 58 1.855 -4.474 14.546 438 H THR 59 H THR 59 1.141 -3.484 10.238 439 HA THR 59 HA THR 59 0.545 -0.983 11.606 440 HB THR 59 HB THR 59 1.433 -0.932 8.720 441 HG1 THR 59 HG1 THR 59 2.935 -1.014 11.044 442 HG21 THR 59 HG21 THR 59 1.892 1.514 9.486 443 HG22 THR 59 HG22 THR 59 0.768 1.117 10.791 444 HG23 THR 59 HG23 THR 59 0.239 1.015 9.113 445 H THR 60 H THR 60 -1.603 -0.768 11.584 446 HA THR 60 HA THR 60 -3.096 -1.862 9.288 447 HB THR 60 HB THR 60 -4.218 -1.664 12.077 448 HG1 THR 60 HG1 THR 60 -2.326 -3.371 11.170 449 HG21 THR 60 HG21 THR 60 -5.844 -1.902 10.275 450 HG22 THR 60 HG22 THR 60 -5.771 -3.381 11.235 451 HG23 THR 60 HG23 THR 60 -4.979 -3.312 9.660 452 H ASN 61 H ASN 61 -4.247 -0.398 8.187 453 HA ASN 61 HA ASN 61 -5.032 2.086 9.580 454 HB2 ASN 61 HB2 ASN 61 -4.215 1.844 6.672 455 HB3 ASN 61 HB3 ASN 61 -4.729 3.321 7.483 456 HD21 ASN 61 HD21 ASN 61 -2.128 1.233 6.786 457 HD22 ASN 61 HD22 ASN 61 -0.909 2.080 7.675 458 H SER 62 H SER 62 -7.059 2.709 9.424 459 HA SER 62 HA SER 62 -8.839 1.117 7.714 460 HB2 SER 62 HB2 SER 62 -10.597 1.724 9.389 461 HB3 SER 62 HB3 SER 62 -9.279 0.757 10.051 462 HG SER 62 HG SER 62 -9.347 3.587 10.207 463 H PHE 63 H PHE 63 -9.922 2.148 6.156 464 HA PHE 63 HA PHE 63 -10.283 5.049 6.378 465 HB2 PHE 63 HB2 PHE 63 -9.632 5.354 4.027 466 HB3 PHE 63 HB3 PHE 63 -8.294 4.718 4.978 467 HD1 PHE 63 HD1 PHE 63 -7.648 2.342 4.752 468 HD2 PHE 63 HD2 PHE 63 -10.567 4.135 2.217 469 HE1 PHE 63 HE1 PHE 63 -7.412 0.479 3.167 470 HE2 PHE 63 HE2 PHE 63 -10.327 2.268 0.634 471 HZ PHE 63 HZ PHE 63 -8.752 0.441 1.105 472 H THR 64 H THR 64 -12.019 5.887 5.181 473 HA THR 64 HA THR 64 -13.900 3.851 4.193 474 HB THR 64 HB THR 64 -14.502 6.404 5.679 475 HG1 THR 64 HG1 THR 64 -13.952 3.970 6.514 476 HG21 THR 64 HG21 THR 64 -16.385 4.355 4.508 477 HG22 THR 64 HG22 THR 64 -16.214 6.035 3.995 478 HG23 THR 64 HG23 THR 64 -16.859 5.661 5.595 479 H ILE 65 H ILE 65 -14.665 4.139 2.170 480 HA ILE 65 HA ILE 65 -13.541 5.974 0.411 481 HB ILE 65 HB ILE 65 -16.203 4.581 0.144 482 HG12 ILE 65 HG12 ILE 65 -14.298 3.061 0.568 483 HG13 ILE 65 HG13 ILE 65 -14.984 2.846 -1.038 484 HG21 ILE 65 HG21 ILE 65 -14.416 5.680 -2.019 485 HG22 ILE 65 HG22 ILE 65 -15.866 6.482 -1.416 486 HG23 ILE 65 HG23 ILE 65 -15.995 4.920 -2.226 487 HD11 ILE 65 HD11 ILE 65 -13.144 4.174 -1.979 488 HD12 ILE 65 HD12 ILE 65 -12.566 2.754 -1.107 489 HD13 ILE 65 HD13 ILE 65 -12.464 4.349 -0.364 490 H ASP 66 H ASP 66 -13.858 8.021 0.004 491 HA ASP 66 HA ASP 66 -14.732 10.108 -0.156 492 HB2 ASP 66 HB2 ASP 66 -16.861 8.715 -0.853 493 HB3 ASP 66 HB3 ASP 66 -17.455 9.212 0.728 494 H LYS 67 H LYS 67 -13.777 8.772 2.285 495 HA LYS 67 HA LYS 67 -14.732 10.754 4.217 496 HB2 LYS 67 HB2 LYS 67 -15.911 8.840 4.886 497 HB3 LYS 67 HB3 LYS 67 -14.547 7.792 4.547 498 HG2 LYS 67 HG2 LYS 67 -14.754 7.924 6.887 499 HG3 LYS 67 HG3 LYS 67 -13.348 8.885 6.446 500 HD2 LYS 67 HD2 LYS 67 -14.906 10.894 6.499 501 HD3 LYS 67 HD3 LYS 67 -16.076 9.830 7.283 502 HE2 LYS 67 HE2 LYS 67 -13.280 10.343 8.270 503 HE3 LYS 67 HE3 LYS 67 -14.719 11.165 8.870 504 HZ1 LYS 67 HZ1 LYS 67 -15.570 8.841 9.385 505 HZ2 LYS 67 HZ2 LYS 67 -14.332 9.437 10.365 506 HZ3 LYS 67 HZ3 LYS 67 -13.982 8.313 9.151 507 H GLU 68 H GLU 68 -13.162 11.609 5.516 508 HA GLU 68 HA GLU 68 -10.439 11.263 4.795 509 HB2 GLU 68 HB2 GLU 68 -9.985 12.800 6.675 510 HB3 GLU 68 HB3 GLU 68 -11.281 13.393 5.645 511 HG2 GLU 68 HG2 GLU 68 -12.931 12.571 7.249 512 HG3 GLU 68 HG3 GLU 68 -11.628 11.986 8.281 513 H ALA 69 H ALA 69 -8.885 9.985 5.687 514 HA ALA 69 HA ALA 69 -9.653 8.434 8.068 515 HB1 ALA 69 HB1 ALA 69 -8.621 6.460 7.126 516 HB2 ALA 69 HB2 ALA 69 -8.188 7.359 5.671 517 HB3 ALA 69 HB3 ALA 69 -9.883 7.067 6.052 518 H ASP 70 H ASP 70 -7.866 7.514 9.258 519 HA ASP 70 HA ASP 70 -5.531 9.294 9.192 520 HB2 ASP 70 HB2 ASP 70 -5.233 8.903 11.511 521 HB3 ASP 70 HB3 ASP 70 -6.965 9.111 11.313 522 H MET 71 H MET 71 -3.659 8.485 8.508 523 HA MET 71 HA MET 71 -3.351 5.569 8.570 524 HB2 MET 71 HB2 MET 71 -2.375 7.328 6.337 525 HB3 MET 71 HB3 MET 71 -2.345 5.570 6.408 526 HG2 MET 71 HG2 MET 71 -4.553 5.375 5.948 527 HG3 MET 71 HG3 MET 71 -4.958 6.927 6.669 528 HE1 MET 71 HE1 MET 71 -6.170 8.129 3.399 529 HE2 MET 71 HE2 MET 71 -6.225 8.243 5.161 530 HE3 MET 71 HE3 MET 71 -6.583 6.711 4.363 531 H GLU 72 H GLU 72 -1.191 4.831 8.398 532 HA GLU 72 HA GLU 72 0.972 6.669 8.985 533 HB2 GLU 72 HB2 GLU 72 0.863 6.239 11.208 534 HB3 GLU 72 HB3 GLU 72 -0.290 4.936 10.986 535 HG2 GLU 72 HG2 GLU 72 1.364 3.660 11.786 536 HG3 GLU 72 HG3 GLU 72 1.979 3.739 10.139 537 H THR 73 H THR 73 2.833 5.924 8.045 538 HA THR 73 HA THR 73 2.558 3.512 6.443 539 HB THR 73 HB THR 73 4.642 4.165 5.379 540 HG1 THR 73 HG1 THR 73 5.880 5.809 6.117 541 HG21 THR 73 HG21 THR 73 2.259 5.659 5.356 542 HG22 THR 73 HG22 THR 73 3.472 5.543 4.084 543 HG23 THR 73 HG23 THR 73 3.579 6.823 5.291 544 H MET 74 H MET 74 4.740 2.236 6.241 545 HA MET 74 HA MET 74 5.238 1.150 8.856 546 HB2 MET 74 HB2 MET 74 6.389 0.437 6.148 547 HB3 MET 74 HB3 MET 74 6.704 -0.460 7.628 548 HG2 MET 74 HG2 MET 74 4.295 -0.933 7.819 549 HG3 MET 74 HG3 MET 74 4.033 -0.089 6.294 550 HE1 MET 74 HE1 MET 74 5.467 -3.323 8.024 551 HE2 MET 74 HE2 MET 74 4.803 -4.412 6.804 552 HE3 MET 74 HE3 MET 74 3.750 -3.262 7.628 553 H GLY 75 H GLY 75 6.408 3.725 7.153 554 HA2 GLY 75 HA2 GLY 75 9.161 3.506 8.093 555 HA3 GLY 75 HA3 GLY 75 8.517 4.759 7.038 556 H GLY 76 H GLY 76 6.196 4.704 9.169 557 HA2 GLY 76 HA2 GLY 76 5.962 5.528 11.393 558 HA3 GLY 76 HA3 GLY 76 7.574 6.214 11.274 559 H ARG 77 H ARG 77 5.182 6.617 8.738 560 HA ARG 77 HA ARG 77 5.224 9.498 9.266 561 HB2 ARG 77 HB2 ARG 77 4.030 8.121 6.865 562 HB3 ARG 77 HB3 ARG 77 4.445 9.815 7.034 563 HG2 ARG 77 HG2 ARG 77 6.801 9.221 7.094 564 HG3 ARG 77 HG3 ARG 77 6.376 7.518 6.926 565 HD2 ARG 77 HD2 ARG 77 6.672 7.965 4.737 566 HD3 ARG 77 HD3 ARG 77 5.018 8.523 4.852 567 HE ARG 77 HE ARG 77 5.735 10.704 4.657 568 HH11 ARG 77 HH11 ARG 77 8.452 8.477 4.753 569 HH12 ARG 77 HH12 ARG 77 9.663 9.776 4.405 570 HH21 ARG 77 HH21 ARG 77 7.223 12.361 4.189 571 HH22 ARG 77 HH22 ARG 77 8.975 11.944 4.087 572 H LYS 78 H LYS 78 3.599 10.385 10.316 573 HA LYS 78 HA LYS 78 1.025 8.987 10.459 574 HB2 LYS 78 HB2 LYS 78 2.142 11.269 12.102 575 HB3 LYS 78 HB3 LYS 78 0.509 10.645 12.276 576 HG2 LYS 78 HG2 LYS 78 1.560 9.514 13.953 577 HG3 LYS 78 HG3 LYS 78 1.766 8.366 12.630 578 HD2 LYS 78 HD2 LYS 78 4.010 9.280 12.206 579 HD3 LYS 78 HD3 LYS 78 3.798 10.395 13.558 580 HE2 LYS 78 HE2 LYS 78 5.114 8.315 14.066 581 HE3 LYS 78 HE3 LYS 78 3.740 8.623 15.128 582 HZ1 LYS 78 HZ1 LYS 78 2.480 6.970 14.066 583 HZ2 LYS 78 HZ2 LYS 78 3.998 6.275 14.317 584 HZ3 LYS 78 HZ3 LYS 78 3.565 6.824 12.774 585 H PHE 79 H PHE 79 -0.607 9.680 9.214 586 HA PHE 79 HA PHE 79 -0.867 12.496 8.616 587 HB2 PHE 79 HB2 PHE 79 -0.790 12.172 6.161 588 HB3 PHE 79 HB3 PHE 79 0.745 11.814 6.945 589 HD1 PHE 79 HD1 PHE 79 1.574 9.568 7.122 590 HD2 PHE 79 HD2 PHE 79 -2.064 10.408 5.085 591 HE1 PHE 79 HE1 PHE 79 1.661 7.361 6.077 592 HE2 PHE 79 HE2 PHE 79 -1.986 8.185 4.033 593 HZ PHE 79 HZ PHE 79 -0.125 6.655 4.530 594 H LYS 80 H LYS 80 -2.721 12.924 7.155 595 HA LYS 80 HA LYS 80 -4.844 10.909 7.403 596 HB2 LYS 80 HB2 LYS 80 -4.944 13.862 8.027 597 HB3 LYS 80 HB3 LYS 80 -6.394 12.959 7.612 598 HG2 LYS 80 HG2 LYS 80 -6.489 12.796 9.863 599 HG3 LYS 80 HG3 LYS 80 -5.525 11.363 9.524 600 HD2 LYS 80 HD2 LYS 80 -3.482 12.698 9.942 601 HD3 LYS 80 HD3 LYS 80 -4.507 14.065 10.384 602 HE2 LYS 80 HE2 LYS 80 -4.334 13.269 12.469 603 HE3 LYS 80 HE3 LYS 80 -5.518 12.071 11.943 604 HZ1 LYS 80 HZ1 LYS 80 -2.565 11.753 11.954 605 HZ2 LYS 80 HZ2 LYS 80 -3.644 10.609 11.337 606 HZ3 LYS 80 HZ3 LYS 80 -3.657 10.985 12.986 607 H ALA 81 H ALA 81 -6.090 10.653 5.614 608 HA ALA 81 HA ALA 81 -5.893 12.576 3.439 609 HB1 ALA 81 HB1 ALA 81 -5.075 11.009 1.814 610 HB2 ALA 81 HB2 ALA 81 -5.090 9.700 2.995 611 HB3 ALA 81 HB3 ALA 81 -3.954 11.034 3.174 612 H THR 82 H THR 82 -7.406 12.149 1.721 613 HA THR 82 HA THR 82 -9.744 10.658 2.682 614 HB THR 82 HB THR 82 -9.828 12.605 0.394 615 HG1 THR 82 HG1 THR 82 -10.535 13.658 2.828 616 HG21 THR 82 HG21 THR 82 -11.771 11.098 1.031 617 HG22 THR 82 HG22 THR 82 -12.121 12.827 0.967 618 HG23 THR 82 HG23 THR 82 -11.880 12.035 2.523 619 H VAL 83 H VAL 83 -10.586 9.010 1.514 620 HA VAL 83 HA VAL 83 -9.165 8.281 -0.964 621 HB VAL 83 HB VAL 83 -10.555 6.364 0.904 622 HG11 VAL 83 HG11 VAL 83 -8.508 5.979 -1.270 623 HG12 VAL 83 HG12 VAL 83 -10.220 5.558 -1.354 624 HG13 VAL 83 HG13 VAL 83 -9.153 4.704 -0.236 625 HG21 VAL 83 HG21 VAL 83 -7.615 7.039 0.852 626 HG22 VAL 83 HG22 VAL 83 -8.390 5.805 1.847 627 HG23 VAL 83 HG23 VAL 83 -8.748 7.510 2.118 628 H LYS 84 H LYS 84 -10.385 7.536 -2.704 629 HA LYS 84 HA LYS 84 -13.310 7.543 -2.381 630 HB2 LYS 84 HB2 LYS 84 -13.478 8.708 -4.600 631 HB3 LYS 84 HB3 LYS 84 -12.838 9.707 -3.302 632 HG2 LYS 84 HG2 LYS 84 -10.540 8.800 -4.266 633 HG3 LYS 84 HG3 LYS 84 -11.511 8.664 -5.734 634 HD2 LYS 84 HD2 LYS 84 -12.049 10.996 -5.660 635 HD3 LYS 84 HD3 LYS 84 -11.289 11.165 -4.074 636 HE2 LYS 84 HE2 LYS 84 -9.129 10.800 -4.962 637 HE3 LYS 84 HE3 LYS 84 -9.776 10.250 -6.504 638 HZ1 LYS 84 HZ1 LYS 84 -10.024 13.012 -5.450 639 HZ2 LYS 84 HZ2 LYS 84 -10.547 12.467 -6.961 640 HZ3 LYS 84 HZ3 LYS 84 -8.894 12.518 -6.608 641 H MET 85 H MET 85 -14.276 6.671 -4.611 642 HA MET 85 HA MET 85 -12.574 4.444 -5.503 643 HB2 MET 85 HB2 MET 85 -14.990 4.279 -3.996 644 HB3 MET 85 HB3 MET 85 -15.291 3.631 -5.597 645 HG2 MET 85 HG2 MET 85 -13.422 2.090 -5.339 646 HG3 MET 85 HG3 MET 85 -13.093 2.760 -3.739 647 HE1 MET 85 HE1 MET 85 -14.449 -0.530 -2.451 648 HE2 MET 85 HE2 MET 85 -13.435 0.860 -2.064 649 HE3 MET 85 HE3 MET 85 -13.150 -0.051 -3.548 650 H GLU 86 H GLU 86 -12.368 4.318 -7.620 651 HA GLU 86 HA GLU 86 -14.407 5.625 -9.291 652 HB2 GLU 86 HB2 GLU 86 -12.488 5.898 -10.961 653 HB3 GLU 86 HB3 GLU 86 -12.502 6.951 -9.555 654 HG2 GLU 86 HG2 GLU 86 -10.743 5.783 -8.530 655 HG3 GLU 86 HG3 GLU 86 -10.912 4.410 -9.620 656 H GLY 87 H GLY 87 -15.613 3.753 -9.600 657 HA2 GLY 87 HA2 GLY 87 -16.270 1.940 -10.839 658 HA3 GLY 87 HA3 GLY 87 -14.845 2.181 -11.833 659 H GLY 88 H GLY 88 -15.292 1.317 -8.412 660 HA2 GLY 88 HA2 GLY 88 -14.723 -0.617 -7.282 661 HA3 GLY 88 HA3 GLY 88 -14.400 -1.377 -8.832 662 H LYS 89 H LYS 89 -12.802 1.593 -8.272 663 HA LYS 89 HA LYS 89 -10.338 0.165 -7.512 664 HB2 LYS 89 HB2 LYS 89 -10.344 2.608 -9.270 665 HB3 LYS 89 HB3 LYS 89 -9.032 1.478 -8.977 666 HG2 LYS 89 HG2 LYS 89 -10.576 -0.254 -10.094 667 HG3 LYS 89 HG3 LYS 89 -11.451 1.150 -10.702 668 HD2 LYS 89 HD2 LYS 89 -8.537 0.505 -11.140 669 HD3 LYS 89 HD3 LYS 89 -9.824 0.421 -12.339 670 HE2 LYS 89 HE2 LYS 89 -9.312 2.520 -12.893 671 HE3 LYS 89 HE3 LYS 89 -9.978 3.009 -11.336 672 HZ1 LYS 89 HZ1 LYS 89 -7.338 3.202 -12.220 673 HZ2 LYS 89 HZ2 LYS 89 -7.351 2.092 -10.940 674 HZ3 LYS 89 HZ3 LYS 89 -7.974 3.659 -10.720 675 H ILE 90 H ILE 90 -9.706 0.788 -5.588 676 HA ILE 90 HA ILE 90 -10.691 3.200 -4.383 677 HB ILE 90 HB ILE 90 -8.513 1.439 -3.267 678 HG12 ILE 90 HG12 ILE 90 -11.500 1.024 -3.297 679 HG13 ILE 90 HG13 ILE 90 -10.249 -0.114 -3.778 680 HG21 ILE 90 HG21 ILE 90 -10.625 3.147 -1.973 681 HG22 ILE 90 HG22 ILE 90 -8.922 3.571 -2.157 682 HG23 ILE 90 HG23 ILE 90 -9.387 2.211 -1.133 683 HD11 ILE 90 HD11 ILE 90 -9.535 -0.263 -1.410 684 HD12 ILE 90 HD12 ILE 90 -11.192 -0.802 -1.682 685 HD13 ILE 90 HD13 ILE 90 -10.888 0.786 -0.972 686 H VAL 91 H VAL 91 -9.849 5.120 -4.918 687 HA VAL 91 HA VAL 91 -6.944 5.279 -5.360 688 HB VAL 91 HB VAL 91 -8.070 5.847 -7.395 689 HG11 VAL 91 HG11 VAL 91 -10.277 6.323 -6.536 690 HG12 VAL 91 HG12 VAL 91 -9.720 7.651 -7.553 691 HG13 VAL 91 HG13 VAL 91 -9.689 7.811 -5.798 692 HG21 VAL 91 HG21 VAL 91 -7.021 8.248 -5.920 693 HG22 VAL 91 HG22 VAL 91 -7.453 8.295 -7.630 694 HG23 VAL 91 HG23 VAL 91 -6.176 7.216 -7.074 695 H ALA 92 H ALA 92 -5.782 6.575 -4.112 696 HA ALA 92 HA ALA 92 -7.232 8.277 -2.193 697 HB1 ALA 92 HB1 ALA 92 -5.343 7.930 -0.665 698 HB2 ALA 92 HB2 ALA 92 -4.586 6.873 -1.857 699 HB3 ALA 92 HB3 ALA 92 -6.116 6.408 -1.113 700 H ASP 93 H ASP 93 -6.491 10.347 -1.813 701 HA ASP 93 HA ASP 93 -4.764 11.422 -3.917 702 HB2 ASP 93 HB2 ASP 93 -6.907 12.509 -3.701 703 HB3 ASP 93 HB3 ASP 93 -6.643 12.764 -1.979 704 H PHE 94 H PHE 94 -2.781 12.077 -3.548 705 HA PHE 94 HA PHE 94 -1.978 12.932 -0.881 706 HB2 PHE 94 HB2 PHE 94 -0.653 10.703 -2.426 707 HB3 PHE 94 HB3 PHE 94 0.124 11.552 -1.089 708 HD1 PHE 94 HD1 PHE 94 -0.987 11.471 1.177 709 HD2 PHE 94 HD2 PHE 94 -2.106 8.938 -2.050 710 HE1 PHE 94 HE1 PHE 94 -2.075 9.939 2.764 711 HE2 PHE 94 HE2 PHE 94 -3.195 7.402 -0.464 712 HZ PHE 94 HZ PHE 94 -3.176 7.903 1.939 713 HA PRO 95 HA PRO 95 0.209 15.941 -3.216 714 HB2 PRO 95 HB2 PRO 95 2.315 16.487 -1.570 715 HB3 PRO 95 HB3 PRO 95 0.665 17.038 -1.260 716 HG2 PRO 95 HG2 PRO 95 2.131 14.750 -0.065 717 HG3 PRO 95 HG3 PRO 95 1.030 15.913 0.702 718 HD2 PRO 95 HD2 PRO 95 0.267 13.403 -0.001 719 HD3 PRO 95 HD3 PRO 95 -0.849 14.782 0.029 720 H ASN 96 H ASN 96 1.176 15.323 -5.032 721 HA ASN 96 HA ASN 96 2.718 14.548 -6.505 722 HB2 ASN 96 HB2 ASN 96 4.223 15.993 -5.140 723 HB3 ASN 96 HB3 ASN 96 4.624 14.594 -4.150 724 HD21 ASN 96 HD21 ASN 96 6.790 14.807 -4.699 725 HD22 ASN 96 HD22 ASN 96 7.391 14.303 -6.238 726 H TYR 97 H TYR 97 1.121 12.758 -4.735 727 HA TYR 97 HA TYR 97 2.520 10.273 -5.417 728 HB2 TYR 97 HB2 TYR 97 2.887 10.936 -2.974 729 HB3 TYR 97 HB3 TYR 97 1.176 10.642 -2.742 730 HD1 TYR 97 HD1 TYR 97 0.406 8.226 -3.711 731 HD2 TYR 97 HD2 TYR 97 4.318 9.248 -2.397 732 HE1 TYR 97 HE1 TYR 97 0.873 5.852 -3.273 733 HE2 TYR 97 HE2 TYR 97 4.796 6.883 -1.955 734 HH TYR 97 HH TYR 97 2.656 4.344 -2.977 735 H HIS 98 H HIS 98 1.195 9.076 -6.570 736 HA HIS 98 HA HIS 98 -1.718 9.411 -6.248 737 HB2 HIS 98 HB2 HIS 98 -0.682 10.141 -8.450 738 HB3 HIS 98 HB3 HIS 98 -0.264 8.453 -8.723 739 HD1 HIS 98 HD1 HIS 98 -3.091 10.847 -8.879 740 HD2 HIS 98 HD2 HIS 98 -2.475 6.751 -9.261 741 HE1 HIS 98 HE1 HIS 98 -5.179 9.945 -9.960 742 HE2 HIS 98 HE2 HIS 98 -4.694 7.508 -10.356 743 H HIS 99 H HIS 99 -2.507 7.742 -5.121 744 HA HIS 99 HA HIS 99 -1.341 5.075 -5.596 745 HB2 HIS 99 HB2 HIS 99 -1.177 6.201 -3.259 746 HB3 HIS 99 HB3 HIS 99 -2.883 5.795 -3.119 747 HD2 HIS 99 HD2 HIS 99 -3.296 2.881 -3.606 748 HE1 HIS 99 HE1 HIS 99 0.452 2.072 -1.822 749 HE2 HIS 99 HE2 HIS 99 -1.838 1.121 -2.366 750 H THR 100 H THR 100 -2.600 3.671 -6.583 751 HA THR 100 HA THR 100 -5.516 3.830 -6.212 752 HB THR 100 HB THR 100 -5.766 3.061 -8.596 753 HG1 THR 100 HG1 THR 100 -3.182 2.806 -8.485 754 HG21 THR 100 HG21 THR 100 -4.651 5.759 -7.902 755 HG22 THR 100 HG22 THR 100 -6.323 5.300 -8.233 756 HG23 THR 100 HG23 THR 100 -5.154 5.371 -9.549 757 H ALA 101 H ALA 101 -6.438 1.958 -5.678 758 HA ALA 101 HA ALA 101 -4.865 -0.521 -5.969 759 HB1 ALA 101 HB1 ALA 101 -5.598 0.494 -3.624 760 HB2 ALA 101 HB2 ALA 101 -5.581 -1.245 -3.916 761 HB3 ALA 101 HB3 ALA 101 -7.098 -0.351 -4.009 762 H GLU 102 H GLU 102 -5.738 -2.131 -7.151 763 HA GLU 102 HA GLU 102 -8.593 -2.300 -7.555 764 HB2 GLU 102 HB2 GLU 102 -8.430 -2.234 -10.028 765 HB3 GLU 102 HB3 GLU 102 -8.065 -0.685 -9.275 766 HG2 GLU 102 HG2 GLU 102 -5.596 -1.570 -9.430 767 HG3 GLU 102 HG3 GLU 102 -6.274 -2.576 -10.704 768 H ILE 103 H ILE 103 -9.084 -4.128 -9.123 769 HA ILE 103 HA ILE 103 -7.181 -6.313 -8.629 770 HB ILE 103 HB ILE 103 -10.140 -6.649 -9.145 771 HG12 ILE 103 HG12 ILE 103 -9.801 -5.333 -7.067 772 HG13 ILE 103 HG13 ILE 103 -10.464 -6.934 -6.748 773 HG21 ILE 103 HG21 ILE 103 -8.777 -8.593 -9.605 774 HG22 ILE 103 HG22 ILE 103 -9.761 -8.870 -8.171 775 HG23 ILE 103 HG23 ILE 103 -8.043 -8.492 -8.007 776 HD11 ILE 103 HD11 ILE 103 -7.573 -6.159 -6.435 777 HD12 ILE 103 HD12 ILE 103 -8.291 -7.722 -6.043 778 HD13 ILE 103 HD13 ILE 103 -8.751 -6.287 -5.129 779 H SER 104 H SER 104 -6.323 -7.283 -10.352 780 HA SER 104 HA SER 104 -7.735 -7.226 -12.910 781 HB2 SER 104 HB2 SER 104 -4.959 -6.119 -12.455 782 HB3 SER 104 HB3 SER 104 -5.547 -6.589 -14.053 783 HG SER 104 HG SER 104 -7.282 -4.979 -12.659 784 H GLY 105 H GLY 105 -7.879 -9.259 -13.526 785 HA2 GLY 105 HA2 GLY 105 -7.239 -11.399 -14.087 786 HA3 GLY 105 HA3 GLY 105 -5.575 -10.938 -13.752 787 H GLY 106 H GLY 106 -8.133 -10.544 -11.418 788 HA2 GLY 106 HA2 GLY 106 -8.587 -11.622 -9.433 789 HA3 GLY 106 HA3 GLY 106 -7.701 -13.011 -10.052 790 H LYS 107 H LYS 107 -6.157 -9.932 -9.995 791 HA LYS 107 HA LYS 107 -4.691 -10.659 -7.562 792 HB2 LYS 107 HB2 LYS 107 -3.619 -10.155 -10.291 793 HB3 LYS 107 HB3 LYS 107 -2.698 -9.530 -8.930 794 HG2 LYS 107 HG2 LYS 107 -2.398 -11.695 -8.024 795 HG3 LYS 107 HG3 LYS 107 -3.565 -12.397 -9.146 796 HD2 LYS 107 HD2 LYS 107 -2.056 -11.814 -11.018 797 HD3 LYS 107 HD3 LYS 107 -0.884 -11.206 -9.847 798 HE2 LYS 107 HE2 LYS 107 -0.822 -13.464 -8.815 799 HE3 LYS 107 HE3 LYS 107 -1.892 -14.034 -10.091 800 HZ1 LYS 107 HZ1 LYS 107 0.509 -12.669 -10.982 801 HZ2 LYS 107 HZ2 LYS 107 -0.239 -14.058 -11.593 802 HZ3 LYS 107 HZ3 LYS 107 0.757 -14.164 -10.222 803 H LEU 108 H LEU 108 -3.851 -8.950 -6.386 804 HA LEU 108 HA LEU 108 -5.226 -6.407 -6.796 805 HB2 LEU 108 HB2 LEU 108 -5.300 -7.498 -4.589 806 HB3 LEU 108 HB3 LEU 108 -3.557 -7.481 -4.508 807 HG LEU 108 HG LEU 108 -4.825 -5.773 -3.109 808 HD11 LEU 108 HD11 LEU 108 -2.408 -5.696 -3.551 809 HD12 LEU 108 HD12 LEU 108 -3.144 -4.108 -3.341 810 HD13 LEU 108 HD13 LEU 108 -2.734 -4.681 -4.958 811 HD21 LEU 108 HD21 LEU 108 -6.449 -4.893 -4.529 812 HD22 LEU 108 HD22 LEU 108 -5.300 -4.647 -5.846 813 HD23 LEU 108 HD23 LEU 108 -5.233 -3.622 -4.414 814 H VAL 109 H VAL 109 -4.223 -4.724 -7.693 815 HA VAL 109 HA VAL 109 -1.296 -4.639 -7.535 816 HB VAL 109 HB VAL 109 -1.734 -5.418 -9.751 817 HG11 VAL 109 HG11 VAL 109 -3.137 -4.170 -11.350 818 HG12 VAL 109 HG12 VAL 109 -3.637 -3.101 -10.038 819 HG13 VAL 109 HG13 VAL 109 -4.056 -4.812 -9.990 820 HG21 VAL 109 HG21 VAL 109 -1.005 -2.499 -9.650 821 HG22 VAL 109 HG22 VAL 109 -0.872 -3.477 -11.111 822 HG23 VAL 109 HG23 VAL 109 0.076 -3.894 -9.685 823 H GLU 110 H GLU 110 -0.756 -2.930 -6.428 824 HA GLU 110 HA GLU 110 -2.453 -0.539 -6.554 825 HB2 GLU 110 HB2 GLU 110 -0.491 -1.540 -4.495 826 HB3 GLU 110 HB3 GLU 110 -1.072 0.119 -4.495 827 HG2 GLU 110 HG2 GLU 110 -3.330 -0.602 -4.146 828 HG3 GLU 110 HG3 GLU 110 -2.874 -2.290 -4.363 829 H ILE 111 H ILE 111 -1.765 1.093 -7.738 830 HA ILE 111 HA ILE 111 1.062 1.199 -8.508 831 HB ILE 111 HB ILE 111 -1.341 2.600 -9.701 832 HG12 ILE 111 HG12 ILE 111 -0.164 1.162 -11.702 833 HG13 ILE 111 HG13 ILE 111 0.146 0.127 -10.311 834 HG21 ILE 111 HG21 ILE 111 0.563 4.067 -9.864 835 HG22 ILE 111 HG22 ILE 111 0.227 3.374 -11.450 836 HG23 ILE 111 HG23 ILE 111 1.567 2.754 -10.482 837 HD11 ILE 111 HD11 ILE 111 -2.510 1.060 -11.341 838 HD12 ILE 111 HD12 ILE 111 -2.290 0.213 -9.810 839 HD13 ILE 111 HD13 ILE 111 -1.869 -0.582 -11.327 840 H SER 112 H SER 112 2.371 2.741 -7.790 841 HA SER 112 HA SER 112 1.185 5.030 -6.360 842 HB2 SER 112 HB2 SER 112 3.705 3.529 -5.605 843 HB3 SER 112 HB3 SER 112 3.014 4.903 -4.744 844 HG SER 112 HG SER 112 1.073 3.199 -4.885 845 H THR 113 H THR 113 1.517 6.668 -7.769 846 HA THR 113 HA THR 113 4.104 6.899 -9.109 847 HB THR 113 HB THR 113 2.119 9.048 -9.491 848 HG1 THR 113 HG1 THR 113 1.111 7.301 -11.050 849 HG21 THR 113 HG21 THR 113 3.819 7.299 -11.278 850 HG22 THR 113 HG22 THR 113 4.036 9.010 -10.905 851 HG23 THR 113 HG23 THR 113 2.678 8.488 -11.903 852 H SER 114 H SER 114 5.617 8.423 -8.543 853 HA SER 114 HA SER 114 4.884 10.646 -6.853 854 HB2 SER 114 HB2 SER 114 5.335 8.638 -5.326 855 HB3 SER 114 HB3 SER 114 7.019 8.772 -5.838 856 HG SER 114 HG SER 114 5.481 10.817 -4.603 857 H SER 115 H SER 115 5.879 12.311 -7.670 858 HA SER 115 HA SER 115 7.381 13.653 -8.687 859 HB2 SER 115 HB2 SER 115 9.514 11.687 -7.863 860 HB3 SER 115 HB3 SER 115 9.665 13.431 -8.083 861 HG SER 115 HG SER 115 8.211 12.069 -6.057 862 H GLY 116 H GLY 116 6.209 11.351 -10.177 863 HA2 GLY 116 HA2 GLY 116 6.374 11.232 -12.566 864 HA3 GLY 116 HA3 GLY 116 8.104 11.481 -12.425 865 H VAL 117 H VAL 117 8.223 9.474 -10.189 866 HA VAL 117 HA VAL 117 8.597 7.204 -11.929 867 HB VAL 117 HB VAL 117 10.118 7.936 -9.943 868 HG11 VAL 117 HG11 VAL 117 9.708 6.861 -7.838 869 HG12 VAL 117 HG12 VAL 117 8.219 6.145 -8.452 870 HG13 VAL 117 HG13 VAL 117 8.335 7.891 -8.237 871 HG21 VAL 117 HG21 VAL 117 9.414 5.037 -10.358 872 HG22 VAL 117 HG22 VAL 117 10.928 5.663 -9.706 873 HG23 VAL 117 HG23 VAL 117 10.486 5.993 -11.380 874 H VAL 118 H VAL 118 7.356 5.434 -12.076 875 HA VAL 118 HA VAL 118 4.912 5.389 -10.457 876 HB VAL 118 HB VAL 118 4.447 5.634 -12.810 877 HG11 VAL 118 HG11 VAL 118 6.202 3.231 -13.142 878 HG12 VAL 118 HG12 VAL 118 6.338 4.811 -13.917 879 HG13 VAL 118 HG13 VAL 118 5.031 3.717 -14.366 880 HG21 VAL 118 HG21 VAL 118 3.839 2.804 -11.992 881 HG22 VAL 118 HG22 VAL 118 2.940 3.789 -13.148 882 HG23 VAL 118 HG23 VAL 118 2.951 4.222 -11.438 883 H TYR 119 H TYR 119 4.919 3.980 -8.875 884 HA TYR 119 HA TYR 119 6.540 1.551 -9.094 885 HB2 TYR 119 HB2 TYR 119 6.963 2.764 -7.080 886 HB3 TYR 119 HB3 TYR 119 5.248 2.955 -6.758 887 HD1 TYR 119 HD1 TYR 119 7.689 0.162 -7.294 888 HD2 TYR 119 HD2 TYR 119 4.369 1.654 -5.084 889 HE1 TYR 119 HE1 TYR 119 7.734 -1.847 -5.880 890 HE2 TYR 119 HE2 TYR 119 4.409 -0.349 -3.662 891 HH TYR 119 HH TYR 119 6.979 -2.718 -3.891 892 H LYS 120 H LYS 120 5.649 -0.415 -9.282 893 HA LYS 120 HA LYS 120 2.756 -0.693 -8.845 894 HB2 LYS 120 HB2 LYS 120 4.426 -1.686 -11.153 895 HB3 LYS 120 HB3 LYS 120 2.831 -2.320 -10.794 896 HG2 LYS 120 HG2 LYS 120 1.767 -0.457 -11.530 897 HG3 LYS 120 HG3 LYS 120 3.101 0.612 -11.082 898 HD2 LYS 120 HD2 LYS 120 4.338 0.059 -12.992 899 HD3 LYS 120 HD3 LYS 120 3.387 -1.395 -13.294 900 HE2 LYS 120 HE2 LYS 120 1.442 0.036 -13.816 901 HE3 LYS 120 HE3 LYS 120 2.465 1.457 -13.603 902 HZ1 LYS 120 HZ1 LYS 120 2.280 0.863 -15.927 903 HZ2 LYS 120 HZ2 LYS 120 2.866 -0.690 -15.612 904 HZ3 LYS 120 HZ3 LYS 120 3.875 0.650 -15.404 905 H ARG 121 H ARG 121 2.143 -2.553 -7.814 906 HA ARG 121 HA ARG 121 4.080 -4.700 -7.560 907 HB2 ARG 121 HB2 ARG 121 3.774 -4.868 -5.109 908 HB3 ARG 121 HB3 ARG 121 4.607 -3.405 -5.611 909 HG2 ARG 121 HG2 ARG 121 2.724 -2.060 -5.162 910 HG3 ARG 121 HG3 ARG 121 1.669 -3.468 -5.003 911 HD2 ARG 121 HD2 ARG 121 2.584 -4.072 -2.934 912 HD3 ARG 121 HD3 ARG 121 4.038 -3.113 -3.193 913 HE ARG 121 HE ARG 121 2.931 -1.256 -2.416 914 HH11 ARG 121 HH11 ARG 121 0.678 -3.918 -2.866 915 HH12 ARG 121 HH12 ARG 121 -0.706 -3.033 -2.105 916 HH21 ARG 121 HH21 ARG 121 1.221 -0.122 -1.402 917 HH22 ARG 121 HH22 ARG 121 -0.403 -0.912 -1.307 918 H THR 122 H THR 122 3.181 -6.549 -7.887 919 HA THR 122 HA THR 122 0.274 -6.799 -7.869 920 HB THR 122 HB THR 122 2.207 -8.936 -8.726 921 HG1 THR 122 HG1 THR 122 1.348 -7.457 -10.813 922 HG21 THR 122 HG21 THR 122 -0.467 -8.205 -9.897 923 HG22 THR 122 HG22 THR 122 -0.302 -9.303 -8.527 924 HG23 THR 122 HG23 THR 122 0.435 -9.709 -10.076 925 H SER 123 H SER 123 -0.763 -7.776 -6.251 926 HA SER 123 HA SER 123 0.798 -9.564 -4.503 927 HB2 SER 123 HB2 SER 123 -1.612 -8.018 -3.570 928 HB3 SER 123 HB3 SER 123 -0.295 -8.699 -2.613 929 HG SER 123 HG SER 123 0.420 -6.806 -4.501 930 H LYS 124 H LYS 124 0.017 -11.573 -4.235 931 HA LYS 124 HA LYS 124 -2.288 -12.358 -5.782 932 HB2 LYS 124 HB2 LYS 124 -1.695 -14.635 -5.190 933 HB3 LYS 124 HB3 LYS 124 -0.259 -13.768 -5.710 934 HG2 LYS 124 HG2 LYS 124 0.426 -13.487 -3.387 935 HG3 LYS 124 HG3 LYS 124 -1.038 -14.321 -2.853 936 HD2 LYS 124 HD2 LYS 124 -0.253 -16.280 -4.281 937 HD3 LYS 124 HD3 LYS 124 1.300 -15.444 -4.379 938 HE2 LYS 124 HE2 LYS 124 0.133 -15.757 -1.680 939 HE3 LYS 124 HE3 LYS 124 0.692 -17.229 -2.464 940 HZ1 LYS 124 HZ1 LYS 124 2.850 -16.572 -2.367 941 HZ2 LYS 124 HZ2 LYS 124 2.275 -15.739 -1.004 942 HZ3 LYS 124 HZ3 LYS 124 2.487 -14.924 -2.476 943 H LYS 125 H LYS 125 -4.173 -13.344 -4.974 944 HA LYS 125 HA LYS 125 -4.929 -12.396 -2.313 945 HB2 LYS 125 HB2 LYS 125 -6.297 -11.988 -4.456 946 HB3 LYS 125 HB3 LYS 125 -6.769 -13.673 -4.327 947 HG2 LYS 125 HG2 LYS 125 -7.215 -11.637 -2.147 948 HG3 LYS 125 HG3 LYS 125 -8.412 -12.040 -3.378 949 HD2 LYS 125 HD2 LYS 125 -7.997 -14.488 -2.566 950 HD3 LYS 125 HD3 LYS 125 -7.369 -13.694 -1.120 951 HE2 LYS 125 HE2 LYS 125 -9.712 -14.281 -0.862 952 HE3 LYS 125 HE3 LYS 125 -9.487 -12.535 -0.830 953 HZ1 LYS 125 HZ1 LYS 125 -10.223 -12.424 -3.120 954 HZ2 LYS 125 HZ2 LYS 125 -11.396 -13.168 -2.158 955 HZ3 LYS 125 HZ3 LYS 125 -10.416 -14.107 -3.164 956 H ILE 126 H ILE 126 -4.987 -13.706 -0.649 957 HA ILE 126 HA ILE 126 -5.692 -16.514 -1.005 958 HB ILE 126 HB ILE 126 -3.572 -16.235 0.979 959 HG12 ILE 126 HG12 ILE 126 -1.822 -16.370 -1.023 960 HG13 ILE 126 HG13 ILE 126 -3.022 -15.366 -1.826 961 HG21 ILE 126 HG21 ILE 126 -2.750 -18.268 -0.085 962 HG22 ILE 126 HG22 ILE 126 -3.914 -18.055 -1.394 963 HG23 ILE 126 HG23 ILE 126 -4.479 -18.359 0.250 964 HD11 ILE 126 HD11 ILE 126 -1.715 -14.737 0.806 965 HD12 ILE 126 HD12 ILE 126 -2.845 -13.708 -0.075 966 HD13 ILE 126 HD13 ILE 126 -1.255 -14.054 -0.753 967 H ALA 127 H ALA 127 -6.083 -17.551 1.191 968 HA ALA 127 HA ALA 127 -6.835 -15.581 3.217 969 HB1 ALA 127 HB1 ALA 127 -9.010 -16.635 3.559 970 HB2 ALA 127 HB2 ALA 127 -8.687 -17.756 2.235 971 HB3 ALA 127 HB3 ALA 127 -8.860 -16.032 1.909 972 H11 CHO 200 H11 CHO 200 6.208 -0.187 -1.492 973 H12 CHO 200 H12 CHO 200 6.762 -1.293 -0.200 974 H21 CHO 200 H21 CHO 200 4.857 -0.642 1.201 975 H22 CHO 200 H22 CHO 200 4.294 -1.250 -0.381 976 H3 CHO 200 H3 CHO 200 4.022 1.062 -1.188 977 HO3 CHO 200 HO3 CHO 200 2.241 0.076 -0.078 978 H41 CHO 200 H41 CHO 200 4.858 1.818 1.654 979 H42 CHO 200 H42 CHO 200 4.304 2.948 0.394 980 H5 CHO 200 H5 CHO 200 6.206 2.278 -1.041 981 H61 CHO 200 H61 CHO 200 6.398 4.182 0.575 982 H62 CHO 200 H62 CHO 200 7.961 3.393 0.257 983 H7 CHO 200 H7 CHO 200 7.689 3.797 2.659 984 HO7 CHO 200 HO7 CHO 200 5.936 2.497 3.731 985 H8 CHO 200 H8 CHO 200 8.892 1.778 1.972 986 H9 CHO 200 H9 CHO 200 6.159 0.437 2.185 987 H111 CHO 200 H111 CHO 200 8.847 -0.787 1.504 988 H112 CHO 200 H112 CHO 200 7.257 -1.616 1.595 989 H121 CHO 200 H121 CHO 200 8.641 -1.997 3.631 990 H122 CHO 200 H122 CHO 200 7.117 -1.162 3.990 991 H14 CHO 200 H14 CHO 200 7.026 1.375 4.274 992 H151 CHO 200 H151 CHO 200 8.375 3.268 4.934 993 H152 CHO 200 H152 CHO 200 9.788 2.720 4.095 994 H161 CHO 200 H161 CHO 200 8.770 1.931 6.792 995 H162 CHO 200 H162 CHO 200 10.384 1.690 6.160 996 H17 CHO 200 H17 CHO 200 8.041 -0.197 6.096 997 H181 CHO 200 H181 CHO 200 10.519 1.300 3.403 998 H182 CHO 200 H182 CHO 200 10.223 -0.164 2.434 999 H183 CHO 200 H183 CHO 200 10.983 -0.296 4.038 1000 H191 CHO 200 H191 CHO 200 8.675 1.966 -0.459 1001 H192 CHO 200 H192 CHO 200 8.389 0.469 -1.379 1002 H193 CHO 200 H193 CHO 200 9.130 0.392 0.237 1003 H20 CHO 200 H20 CHO 200 10.942 -0.683 5.636 1004 H211 CHO 200 H211 CHO 200 9.433 -2.839 6.820 1005 H212 CHO 200 H212 CHO 200 10.335 -2.814 5.285 1006 H213 CHO 200 H213 CHO 200 8.629 -2.309 5.323 1007 H221 CHO 200 H221 CHO 200 9.268 -0.772 8.173 1008 H222 CHO 200 H222 CHO 200 10.627 0.332 7.818 1009 H231 CHO 200 H231 CHO 200 12.093 -1.713 7.553 1010 H232 CHO 200 H232 CHO 200 10.716 -2.674 8.192 1011 HN CHO 200 HN CHO 200 10.600 -3.006 10.357 1012 H261 CHO 200 H261 CHO 200 11.273 -1.025 12.281 1013 H262 CHO 200 H262 CHO 200 12.600 -2.209 12.106 1014 H11 CHO 201 H11 CHO 201 -6.616 4.136 0.455 1015 H12 CHO 201 H12 CHO 201 -5.194 4.856 -0.354 1016 H21 CHO 201 H21 CHO 201 -4.312 2.617 -0.840 1017 H22 CHO 201 H22 CHO 201 -5.961 2.797 -1.498 1018 H3 CHO 201 H3 CHO 201 -6.883 1.615 0.465 1019 HO3 CHO 201 HO3 CHO 201 -4.647 0.158 -0.660 1020 H41 CHO 201 H41 CHO 201 -3.954 1.306 1.267 1021 H42 CHO 201 H42 CHO 201 -5.346 0.565 2.092 1022 H5 CHO 201 H5 CHO 201 -6.267 2.813 2.555 1023 H61 CHO 201 H61 CHO 201 -4.729 1.690 4.172 1024 H62 CHO 201 H62 CHO 201 -4.649 3.468 4.263 1025 H7 CHO 201 H7 CHO 201 -2.392 2.544 4.308 1026 HO7 CHO 201 HO7 CHO 201 -1.654 1.355 2.381 1027 H8 CHO 201 H8 CHO 201 -2.707 4.657 3.144 1028 H9 CHO 201 H9 CHO 201 -3.075 2.924 0.660 1029 H111 CHO 201 H111 CHO 201 -3.095 5.943 0.887 1030 H112 CHO 201 H112 CHO 201 -3.299 4.940 -0.593 1031 H121 CHO 201 H121 CHO 201 -1.009 5.919 -0.395 1032 H122 CHO 201 H122 CHO 201 -1.008 4.148 -0.431 1033 H14 CHO 201 H14 CHO 201 -0.876 2.766 1.720 1034 H151 CHO 201 H151 CHO 201 -0.075 2.910 4.044 1035 H152 CHO 201 H152 CHO 201 -0.376 4.594 4.178 1036 H161 CHO 201 H161 CHO 201 1.755 3.133 2.542 1037 H162 CHO 201 H162 CHO 201 1.943 4.647 3.399 1038 H17 CHO 201 H17 CHO 201 1.239 4.281 0.588 1039 H181 CHO 201 H181 CHO 201 -0.979 7.110 1.738 1040 H182 CHO 201 H182 CHO 201 -0.303 6.325 3.186 1041 H183 CHO 201 H183 CHO 201 -2.009 6.069 2.750 1042 H191 CHO 201 H191 CHO 201 -4.920 6.073 1.735 1043 H192 CHO 201 H192 CHO 201 -4.312 5.241 3.187 1044 H193 CHO 201 H193 CHO 201 -6.040 5.157 2.770 1045 H20 CHO 201 H20 CHO 201 1.359 6.767 2.258 1046 H211 CHO 201 H211 CHO 201 0.957 6.240 -0.655 1047 H212 CHO 201 H212 CHO 201 2.042 7.576 -0.198 1048 H213 CHO 201 H213 CHO 201 0.354 7.567 0.366 1049 H221 CHO 201 H221 CHO 201 3.450 5.374 0.550 1050 H222 CHO 201 H222 CHO 201 3.419 5.457 2.341 1051 H231 CHO 201 H231 CHO 201 3.560 7.924 2.207 1052 H232 CHO 201 H232 CHO 201 3.684 7.788 0.422 1053 HN CHO 201 HN CHO 201 5.147 5.420 2.619 1054 H261 CHO 201 H261 CHO 201 7.825 6.311 1.720 1055 H262 CHO 201 H262 CHO 201 7.365 4.658 2.202 Start of MODEL 8 1 H ALA 1 H ALA 1 -15.668 -8.117 -3.969 2 HA ALA 1 HA ALA 1 -13.670 -9.114 -4.618 3 HB1 ALA 1 HB1 ALA 1 -13.963 -6.372 -5.799 4 HB2 ALA 1 HB2 ALA 1 -14.673 -7.874 -6.388 5 HB3 ALA 1 HB3 ALA 1 -12.926 -7.628 -6.473 6 H PHE 2 H PHE 2 -13.248 -6.386 -2.693 7 HA PHE 2 HA PHE 2 -10.348 -6.426 -2.979 8 HB2 PHE 2 HB2 PHE 2 -12.259 -4.573 -1.585 9 HB3 PHE 2 HB3 PHE 2 -10.526 -4.508 -1.275 10 HD1 PHE 2 HD1 PHE 2 -9.011 -4.317 -3.365 11 HD2 PHE 2 HD2 PHE 2 -13.149 -3.334 -3.319 12 HE1 PHE 2 HE1 PHE 2 -8.691 -2.924 -5.363 13 HE2 PHE 2 HE2 PHE 2 -12.844 -1.937 -5.321 14 HZ PHE 2 HZ PHE 2 -10.611 -1.728 -6.347 15 H THR 3 H THR 3 -12.858 -7.433 -0.821 16 HA THR 3 HA THR 3 -11.458 -7.764 1.560 17 HB THR 3 HB THR 3 -13.501 -9.765 0.674 18 HG1 THR 3 HG1 THR 3 -15.054 -8.289 0.661 19 HG21 THR 3 HG21 THR 3 -13.029 -8.297 3.265 20 HG22 THR 3 HG22 THR 3 -12.448 -9.921 2.898 21 HG23 THR 3 HG23 THR 3 -14.182 -9.605 3.001 22 H GLY 4 H GLY 4 -10.152 -9.357 2.379 23 HA2 GLY 4 HA2 GLY 4 -9.676 -11.868 2.055 24 HA3 GLY 4 HA3 GLY 4 -9.281 -11.359 0.424 25 H LYS 5 H LYS 5 -7.345 -12.666 1.755 26 HA LYS 5 HA LYS 5 -5.561 -10.562 2.763 27 HB2 LYS 5 HB2 LYS 5 -4.592 -12.082 4.120 28 HB3 LYS 5 HB3 LYS 5 -6.029 -13.051 3.810 29 HG2 LYS 5 HG2 LYS 5 -4.820 -14.108 1.917 30 HG3 LYS 5 HG3 LYS 5 -3.375 -13.233 2.412 31 HD2 LYS 5 HD2 LYS 5 -4.861 -15.021 4.311 32 HD3 LYS 5 HD3 LYS 5 -3.644 -15.656 3.200 33 HE2 LYS 5 HE2 LYS 5 -2.398 -13.472 4.318 34 HE3 LYS 5 HE3 LYS 5 -3.326 -14.132 5.664 35 HZ1 LYS 5 HZ1 LYS 5 -1.279 -15.530 4.024 36 HZ2 LYS 5 HZ2 LYS 5 -2.309 -16.328 5.110 37 HZ3 LYS 5 HZ3 LYS 5 -1.216 -15.172 5.680 38 H TYR 6 H TYR 6 -3.602 -10.157 1.799 39 HA TYR 6 HA TYR 6 -3.086 -11.557 -0.741 40 HB2 TYR 6 HB2 TYR 6 -2.728 -8.595 -0.261 41 HB3 TYR 6 HB3 TYR 6 -2.401 -9.458 -1.754 42 HD1 TYR 6 HD1 TYR 6 -4.251 -10.306 -3.129 43 HD2 TYR 6 HD2 TYR 6 -4.957 -7.942 0.337 44 HE1 TYR 6 HE1 TYR 6 -6.540 -9.863 -3.903 45 HE2 TYR 6 HE2 TYR 6 -7.248 -7.494 -0.428 46 HH TYR 6 HH TYR 6 -8.731 -7.773 -2.045 47 H GLU 7 H GLU 7 -0.979 -12.031 -1.166 48 HA GLU 7 HA GLU 7 1.031 -11.062 0.749 49 HB2 GLU 7 HB2 GLU 7 0.542 -13.854 -0.241 50 HB3 GLU 7 HB3 GLU 7 2.159 -13.360 0.247 51 HG2 GLU 7 HG2 GLU 7 1.390 -12.815 2.453 52 HG3 GLU 7 HG3 GLU 7 -0.281 -13.120 1.992 53 H PHE 8 H PHE 8 3.161 -10.834 -0.099 54 HA PHE 8 HA PHE 8 3.364 -9.510 -2.481 55 HB2 PHE 8 HB2 PHE 8 5.061 -9.542 -0.642 56 HB3 PHE 8 HB3 PHE 8 5.609 -11.103 -1.244 57 HD1 PHE 8 HD1 PHE 8 6.547 -11.241 -3.578 58 HD2 PHE 8 HD2 PHE 8 5.807 -7.542 -1.609 59 HE1 PHE 8 HE1 PHE 8 8.029 -10.103 -5.172 60 HE2 PHE 8 HE2 PHE 8 7.301 -6.397 -3.199 61 HZ PHE 8 HZ PHE 8 8.414 -7.681 -4.977 62 H GLU 9 H GLU 9 3.116 -10.092 -4.493 63 HA GLU 9 HA GLU 9 3.732 -12.853 -5.302 64 HB2 GLU 9 HB2 GLU 9 1.415 -12.374 -5.660 65 HB3 GLU 9 HB3 GLU 9 1.786 -10.828 -6.411 66 HG2 GLU 9 HG2 GLU 9 1.688 -11.830 -8.372 67 HG3 GLU 9 HG3 GLU 9 3.124 -12.744 -7.936 68 H SER 10 H SER 10 3.916 -9.460 -6.338 69 HA SER 10 HA SER 10 6.535 -9.823 -7.456 70 HB2 SER 10 HB2 SER 10 4.177 -9.362 -9.287 71 HB3 SER 10 HB3 SER 10 5.839 -9.023 -9.758 72 HG SER 10 HG SER 10 5.433 -11.532 -8.679 73 H ASP 11 H ASP 11 7.159 -7.672 -8.656 74 HA ASP 11 HA ASP 11 5.757 -5.317 -7.802 75 HB2 ASP 11 HB2 ASP 11 7.195 -4.485 -6.206 76 HB3 ASP 11 HB3 ASP 11 7.352 -6.202 -5.866 77 H GLU 12 H GLU 12 6.893 -3.338 -8.595 78 HA GLU 12 HA GLU 12 8.883 -3.754 -10.661 79 HB2 GLU 12 HB2 GLU 12 6.985 -4.168 -12.001 80 HB3 GLU 12 HB3 GLU 12 6.069 -2.898 -11.219 81 HG2 GLU 12 HG2 GLU 12 7.614 -1.234 -12.251 82 HG3 GLU 12 HG3 GLU 12 8.342 -2.563 -13.153 83 H ASN 13 H ASN 13 10.094 -2.008 -11.011 84 HA ASN 13 HA ASN 13 11.079 0.012 -10.735 85 HB2 ASN 13 HB2 ASN 13 8.199 0.691 -10.773 86 HB3 ASN 13 HB3 ASN 13 9.274 1.908 -10.100 87 HD21 ASN 13 HD21 ASN 13 7.669 1.834 -12.557 88 HD22 ASN 13 HD22 ASN 13 8.778 2.155 -13.845 89 H TYR 14 H TYR 14 10.842 -1.732 -8.450 90 HA TYR 14 HA TYR 14 10.116 -0.354 -6.119 91 HB2 TYR 14 HB2 TYR 14 10.510 -2.774 -6.125 92 HB3 TYR 14 HB3 TYR 14 12.220 -2.500 -6.428 93 HD1 TYR 14 HD1 TYR 14 9.522 -1.855 -3.958 94 HD2 TYR 14 HD2 TYR 14 13.716 -2.137 -4.640 95 HE1 TYR 14 HE1 TYR 14 9.925 -1.648 -1.543 96 HE2 TYR 14 HE2 TYR 14 14.125 -1.934 -2.224 97 HH TYR 14 HH TYR 14 11.732 -2.290 0.087 98 H ASP 15 H ASP 15 13.383 -0.925 -7.393 99 HA ASP 15 HA ASP 15 14.771 0.685 -5.605 100 HB2 ASP 15 HB2 ASP 15 15.557 0.394 -8.496 101 HB3 ASP 15 HB3 ASP 15 16.609 0.626 -7.107 102 H ASP 16 H ASP 16 13.349 1.538 -8.720 103 HA ASP 16 HA ASP 16 14.250 4.192 -8.844 104 HB2 ASP 16 HB2 ASP 16 11.931 2.716 -10.042 105 HB3 ASP 16 HB3 ASP 16 12.074 4.456 -10.257 106 H PHE 17 H PHE 17 11.296 2.788 -7.508 107 HA PHE 17 HA PHE 17 10.028 5.181 -6.761 108 HB2 PHE 17 HB2 PHE 17 8.926 2.966 -6.907 109 HB3 PHE 17 HB3 PHE 17 9.813 2.456 -5.477 110 HD1 PHE 17 HD1 PHE 17 7.465 5.096 -6.630 111 HD2 PHE 17 HD2 PHE 17 8.848 2.697 -3.404 112 HE1 PHE 17 HE1 PHE 17 5.655 5.966 -5.216 113 HE2 PHE 17 HE2 PHE 17 7.042 3.565 -1.975 114 HZ PHE 17 HZ PHE 17 5.441 5.202 -2.883 115 H VAL 18 H VAL 18 11.898 2.888 -4.757 116 HA VAL 18 HA VAL 18 11.780 4.432 -2.418 117 HB VAL 18 HB VAL 18 13.664 3.069 -1.594 118 HG11 VAL 18 HG11 VAL 18 12.489 0.975 -1.569 119 HG12 VAL 18 HG12 VAL 18 11.595 1.413 -3.025 120 HG13 VAL 18 HG13 VAL 18 11.308 2.286 -1.519 121 HG21 VAL 18 HG21 VAL 18 15.134 2.584 -3.268 122 HG22 VAL 18 HG22 VAL 18 13.862 2.360 -4.468 123 HG23 VAL 18 HG23 VAL 18 14.189 1.094 -3.284 124 H LYS 19 H LYS 19 14.082 4.497 -5.105 125 HA LYS 19 HA LYS 19 15.877 6.285 -3.770 126 HB2 LYS 19 HB2 LYS 19 15.586 5.384 -6.624 127 HB3 LYS 19 HB3 LYS 19 16.735 6.632 -6.172 128 HG2 LYS 19 HG2 LYS 19 16.717 3.939 -4.852 129 HG3 LYS 19 HG3 LYS 19 17.610 4.254 -6.340 130 HD2 LYS 19 HD2 LYS 19 19.290 4.847 -4.974 131 HD3 LYS 19 HD3 LYS 19 18.390 6.352 -4.770 132 HE2 LYS 19 HE2 LYS 19 17.273 5.374 -2.795 133 HE3 LYS 19 HE3 LYS 19 18.245 3.917 -2.986 134 HZ1 LYS 19 HZ1 LYS 19 19.236 6.652 -2.373 135 HZ2 LYS 19 HZ2 LYS 19 20.238 5.332 -2.716 136 HZ3 LYS 19 HZ3 LYS 19 19.249 5.308 -1.346 137 H LYS 20 H LYS 20 13.057 6.658 -5.780 138 HA LYS 20 HA LYS 20 13.462 9.426 -6.344 139 HB2 LYS 20 HB2 LYS 20 12.023 7.845 -7.681 140 HB3 LYS 20 HB3 LYS 20 10.840 7.931 -6.382 141 HG2 LYS 20 HG2 LYS 20 10.206 9.430 -8.141 142 HG3 LYS 20 HG3 LYS 20 10.693 10.371 -6.731 143 HD2 LYS 20 HD2 LYS 20 12.832 10.853 -7.718 144 HD3 LYS 20 HD3 LYS 20 12.500 9.765 -9.067 145 HE2 LYS 20 HE2 LYS 20 10.625 11.221 -9.736 146 HE3 LYS 20 HE3 LYS 20 11.024 12.318 -8.416 147 HZ1 LYS 20 HZ1 LYS 20 13.194 12.672 -9.432 148 HZ2 LYS 20 HZ2 LYS 20 11.951 13.096 -10.494 149 HZ3 LYS 20 HZ3 LYS 20 12.786 11.640 -10.707 150 H ILE 21 H ILE 21 11.484 7.660 -3.968 151 HA ILE 21 HA ILE 21 10.463 10.063 -2.798 152 HB ILE 21 HB ILE 21 9.637 8.604 -0.971 153 HG12 ILE 21 HG12 ILE 21 10.757 6.306 -2.581 154 HG13 ILE 21 HG13 ILE 21 11.564 6.967 -1.164 155 HG21 ILE 21 HG21 ILE 21 8.152 8.937 -2.768 156 HG22 ILE 21 HG22 ILE 21 8.137 7.202 -2.458 157 HG23 ILE 21 HG23 ILE 21 9.050 7.846 -3.824 158 HD11 ILE 21 HD11 ILE 21 8.835 5.697 -1.226 159 HD12 ILE 21 HD12 ILE 21 9.596 6.410 0.195 160 HD13 ILE 21 HD13 ILE 21 10.313 4.989 -0.568 161 H GLY 22 H GLY 22 13.417 8.468 -2.601 162 HA2 GLY 22 HA2 GLY 22 15.312 9.091 -1.439 163 HA3 GLY 22 HA3 GLY 22 14.358 10.299 -0.593 164 H LEU 23 H LEU 23 13.668 6.857 -0.739 165 HA LEU 23 HA LEU 23 13.382 6.662 2.083 166 HB2 LEU 23 HB2 LEU 23 12.245 5.261 0.283 167 HB3 LEU 23 HB3 LEU 23 13.755 4.388 0.131 168 HG LEU 23 HG LEU 23 13.561 3.737 2.541 169 HD11 LEU 23 HD11 LEU 23 11.976 5.634 3.091 170 HD12 LEU 23 HD12 LEU 23 11.554 4.048 3.730 171 HD13 LEU 23 HD13 LEU 23 10.715 4.679 2.313 172 HD21 LEU 23 HD21 LEU 23 11.076 2.803 1.215 173 HD22 LEU 23 HD22 LEU 23 12.348 1.885 2.021 174 HD23 LEU 23 HD23 LEU 23 12.608 2.512 0.393 175 HA PRO 24 HA PRO 24 17.688 6.077 3.091 176 HB2 PRO 24 HB2 PRO 24 17.317 4.943 5.561 177 HB3 PRO 24 HB3 PRO 24 17.214 6.686 5.259 178 HG2 PRO 24 HG2 PRO 24 15.027 4.688 5.521 179 HG3 PRO 24 HG3 PRO 24 15.128 6.346 6.149 180 HD2 PRO 24 HD2 PRO 24 13.704 5.743 3.952 181 HD3 PRO 24 HD3 PRO 24 14.555 7.289 4.126 182 H ALA 25 H ALA 25 19.126 4.444 2.870 183 HA ALA 25 HA ALA 25 18.466 2.017 1.733 184 HB1 ALA 25 HB1 ALA 25 20.756 1.328 2.198 185 HB2 ALA 25 HB2 ALA 25 20.926 2.644 3.358 186 HB3 ALA 25 HB3 ALA 25 20.704 3.002 1.643 187 H ASP 26 H ASP 26 18.941 2.804 5.121 188 HA ASP 26 HA ASP 26 19.012 0.259 6.206 189 HB2 ASP 26 HB2 ASP 26 17.875 2.804 7.377 190 HB3 ASP 26 HB3 ASP 26 18.200 1.342 8.304 191 H LYS 27 H LYS 27 16.235 2.213 5.247 192 HA LYS 27 HA LYS 27 14.384 0.221 6.294 193 HB2 LYS 27 HB2 LYS 27 13.862 2.753 4.741 194 HB3 LYS 27 HB3 LYS 27 12.629 1.727 5.445 195 HG2 LYS 27 HG2 LYS 27 14.750 3.199 6.992 196 HG3 LYS 27 HG3 LYS 27 13.073 3.712 6.808 197 HD2 LYS 27 HD2 LYS 27 12.533 1.341 7.758 198 HD3 LYS 27 HD3 LYS 27 14.189 1.408 8.358 199 HE2 LYS 27 HE2 LYS 27 13.609 3.619 9.402 200 HE3 LYS 27 HE3 LYS 27 11.932 3.300 8.972 201 HZ1 LYS 27 HZ1 LYS 27 11.926 1.379 10.368 202 HZ2 LYS 27 HZ2 LYS 27 12.513 2.678 11.272 203 HZ3 LYS 27 HZ3 LYS 27 13.583 1.517 10.676 204 H ILE 28 H ILE 28 15.670 1.368 3.248 205 HA ILE 28 HA ILE 28 13.931 0.126 1.459 206 HB ILE 28 HB ILE 28 16.890 0.717 1.212 207 HG12 ILE 28 HG12 ILE 28 14.464 2.075 0.036 208 HG13 ILE 28 HG13 ILE 28 15.430 2.678 1.378 209 HG21 ILE 28 HG21 ILE 28 16.642 0.361 -1.200 210 HG22 ILE 28 HG22 ILE 28 15.003 -0.231 -0.934 211 HG23 ILE 28 HG23 ILE 28 16.379 -1.116 -0.274 212 HD11 ILE 28 HD11 ILE 28 16.421 2.256 -1.438 213 HD12 ILE 28 HD12 ILE 28 17.350 2.914 -0.091 214 HD13 ILE 28 HD13 ILE 28 15.967 3.806 -0.723 215 H GLU 29 H GLU 29 17.106 -1.044 2.601 216 HA GLU 29 HA GLU 29 16.909 -3.595 1.432 217 HB2 GLU 29 HB2 GLU 29 18.548 -2.739 3.826 218 HB3 GLU 29 HB3 GLU 29 18.816 -4.184 2.859 219 HG2 GLU 29 HG2 GLU 29 18.835 -1.494 1.564 220 HG3 GLU 29 HG3 GLU 29 20.247 -2.061 2.449 221 H MET 30 H MET 30 15.711 -2.318 4.412 222 HA MET 30 HA MET 30 15.264 -4.843 5.668 223 HB2 MET 30 HB2 MET 30 15.535 -2.728 6.928 224 HB3 MET 30 HB3 MET 30 14.013 -2.156 6.258 225 HG2 MET 30 HG2 MET 30 13.646 -2.940 8.482 226 HG3 MET 30 HG3 MET 30 12.871 -4.053 7.359 227 HE1 MET 30 HE1 MET 30 14.234 -7.356 8.134 228 HE2 MET 30 HE2 MET 30 13.540 -6.350 6.861 229 HE3 MET 30 HE3 MET 30 12.784 -6.407 8.453 230 H GLY 31 H GLY 31 13.372 -2.646 3.662 231 HA2 GLY 31 HA2 GLY 31 11.169 -4.619 3.712 232 HA3 GLY 31 HA3 GLY 31 10.947 -2.900 3.438 233 H ARG 32 H ARG 32 13.389 -5.032 1.957 234 HA ARG 32 HA ARG 32 12.259 -4.246 -0.633 235 HB2 ARG 32 HB2 ARG 32 14.406 -4.801 -1.623 236 HB3 ARG 32 HB3 ARG 32 14.630 -3.685 -0.285 237 HG2 ARG 32 HG2 ARG 32 15.366 -5.513 1.134 238 HG3 ARG 32 HG3 ARG 32 15.099 -6.657 -0.181 239 HD2 ARG 32 HD2 ARG 32 16.846 -4.329 -0.742 240 HD3 ARG 32 HD3 ARG 32 17.492 -5.583 0.314 241 HE ARG 32 HE ARG 32 16.363 -6.727 -2.025 242 HH11 ARG 32 HH11 ARG 32 19.136 -4.813 -0.970 243 HH12 ARG 32 HH12 ARG 32 20.248 -5.570 -2.180 244 HH21 ARG 32 HH21 ARG 32 17.737 -7.681 -3.580 245 HH22 ARG 32 HH22 ARG 32 19.469 -7.173 -3.640 246 H ASN 33 H ASN 33 11.017 -5.625 -1.625 247 HA ASN 33 HA ASN 33 10.063 -7.518 -2.416 248 HB2 ASN 33 HB2 ASN 33 12.914 -8.059 -2.407 249 HB3 ASN 33 HB3 ASN 33 11.977 -9.535 -2.203 250 HD21 ASN 33 HD21 ASN 33 12.405 -6.709 -4.239 251 HD22 ASN 33 HD22 ASN 33 11.753 -7.412 -5.677 252 H CYS 34 H CYS 34 10.154 -6.957 0.532 253 HA CYS 34 HA CYS 34 10.106 -9.512 1.813 254 HB2 CYS 34 HB2 CYS 34 9.116 -6.819 2.768 255 HB3 CYS 34 HB3 CYS 34 9.301 -8.251 3.773 256 HG CYS 34 HG CYS 34 11.395 -6.477 4.336 257 H LYS 35 H LYS 35 8.276 -10.616 2.604 258 HA LYS 35 HA LYS 35 5.984 -10.330 0.888 259 HB2 LYS 35 HB2 LYS 35 5.149 -12.335 2.274 260 HB3 LYS 35 HB3 LYS 35 6.515 -12.565 1.197 261 HG2 LYS 35 HG2 LYS 35 8.042 -12.354 3.105 262 HG3 LYS 35 HG3 LYS 35 6.653 -12.163 4.179 263 HD2 LYS 35 HD2 LYS 35 6.989 -14.402 4.412 264 HD3 LYS 35 HD3 LYS 35 5.912 -14.423 3.014 265 HE2 LYS 35 HE2 LYS 35 8.925 -14.493 2.889 266 HE3 LYS 35 HE3 LYS 35 7.883 -15.904 2.745 267 HZ1 LYS 35 HZ1 LYS 35 6.851 -14.703 0.790 268 HZ2 LYS 35 HZ2 LYS 35 8.426 -15.270 0.569 269 HZ3 LYS 35 HZ3 LYS 35 8.159 -13.628 0.869 270 H ILE 36 H ILE 36 5.253 -8.276 1.597 271 HA ILE 36 HA ILE 36 4.232 -8.010 4.285 272 HB ILE 36 HB ILE 36 4.122 -6.200 1.870 273 HG12 ILE 36 HG12 ILE 36 5.242 -4.709 3.747 274 HG13 ILE 36 HG13 ILE 36 5.610 -6.271 4.464 275 HG21 ILE 36 HG21 ILE 36 3.024 -4.524 3.312 276 HG22 ILE 36 HG22 ILE 36 2.850 -5.744 4.573 277 HG23 ILE 36 HG23 ILE 36 2.005 -5.937 3.034 278 HD11 ILE 36 HD11 ILE 36 6.368 -5.525 1.659 279 HD12 ILE 36 HD12 ILE 36 6.914 -6.911 2.603 280 HD13 ILE 36 HD13 ILE 36 7.414 -5.284 3.059 281 H VAL 37 H VAL 37 2.404 -8.956 4.856 282 HA VAL 37 HA VAL 37 0.480 -9.827 2.894 283 HB VAL 37 HB VAL 37 0.099 -9.913 5.876 284 HG11 VAL 37 HG11 VAL 37 -1.870 -10.463 4.594 285 HG12 VAL 37 HG12 VAL 37 -1.227 -11.931 5.326 286 HG13 VAL 37 HG13 VAL 37 -0.953 -11.611 3.615 287 HG21 VAL 37 HG21 VAL 37 2.144 -10.974 5.762 288 HG22 VAL 37 HG22 VAL 37 1.840 -11.603 4.145 289 HG23 VAL 37 HG23 VAL 37 1.031 -12.328 5.532 290 H THR 38 H THR 38 -1.414 -8.914 2.411 291 HA THR 38 HA THR 38 -2.184 -6.462 3.847 292 HB THR 38 HB THR 38 -2.737 -7.155 0.954 293 HG1 THR 38 HG1 THR 38 -0.459 -6.493 1.954 294 HG21 THR 38 HG21 THR 38 -3.270 -4.710 0.820 295 HG22 THR 38 HG22 THR 38 -3.166 -4.655 2.580 296 HG23 THR 38 HG23 THR 38 -4.394 -5.650 1.800 297 H GLU 39 H GLU 39 -3.827 -7.022 5.176 298 HA GLU 39 HA GLU 39 -5.832 -8.923 4.170 299 HB2 GLU 39 HB2 GLU 39 -5.045 -8.055 6.936 300 HB3 GLU 39 HB3 GLU 39 -6.588 -8.839 6.640 301 HG2 GLU 39 HG2 GLU 39 -4.447 -10.292 5.387 302 HG3 GLU 39 HG3 GLU 39 -4.142 -10.069 7.110 303 H VAL 40 H VAL 40 -7.673 -8.197 3.439 304 HA VAL 40 HA VAL 40 -8.615 -5.526 4.274 305 HB VAL 40 HB VAL 40 -9.155 -6.989 1.683 306 HG11 VAL 40 HG11 VAL 40 -9.920 -4.201 2.542 307 HG12 VAL 40 HG12 VAL 40 -11.007 -5.574 2.305 308 HG13 VAL 40 HG13 VAL 40 -10.146 -4.887 0.929 309 HG21 VAL 40 HG21 VAL 40 -7.813 -5.060 0.714 310 HG22 VAL 40 HG22 VAL 40 -6.912 -6.313 1.567 311 HG23 VAL 40 HG23 VAL 40 -7.244 -4.772 2.358 312 H VAL 41 H VAL 41 -10.593 -5.343 5.108 313 HA VAL 41 HA VAL 41 -12.372 -7.680 4.973 314 HB VAL 41 HB VAL 41 -11.364 -7.108 7.265 315 HG11 VAL 41 HG11 VAL 41 -13.508 -5.025 7.402 316 HG12 VAL 41 HG12 VAL 41 -11.866 -4.615 6.898 317 HG13 VAL 41 HG13 VAL 41 -12.151 -5.303 8.498 318 HG21 VAL 41 HG21 VAL 41 -13.171 -8.639 7.126 319 HG22 VAL 41 HG22 VAL 41 -14.330 -7.345 6.829 320 HG23 VAL 41 HG23 VAL 41 -13.566 -7.495 8.410 321 H GLN 42 H GLN 42 -14.498 -7.285 4.433 322 HA GLN 42 HA GLN 42 -15.026 -4.723 3.196 323 HB2 GLN 42 HB2 GLN 42 -15.670 -6.671 1.956 324 HB3 GLN 42 HB3 GLN 42 -16.565 -7.325 3.319 325 HG2 GLN 42 HG2 GLN 42 -18.185 -6.514 1.828 326 HG3 GLN 42 HG3 GLN 42 -18.082 -5.310 3.111 327 HE21 GLN 42 HE21 GLN 42 -18.940 -3.726 1.785 328 HE22 GLN 42 HE22 GLN 42 -18.012 -2.981 0.531 329 H ASN 43 H ASN 43 -15.998 -3.091 4.200 330 HA ASN 43 HA ASN 43 -18.096 -3.640 6.163 331 HB2 ASN 43 HB2 ASN 43 -15.957 -3.310 7.407 332 HB3 ASN 43 HB3 ASN 43 -15.816 -1.715 6.680 333 HD21 ASN 43 HD21 ASN 43 -15.933 -0.551 8.507 334 HD22 ASN 43 HD22 ASN 43 -17.341 -0.460 9.509 335 H GLY 44 H GLY 44 -19.261 -2.970 4.135 336 HA2 GLY 44 HA2 GLY 44 -20.581 -1.406 3.093 337 HA3 GLY 44 HA3 GLY 44 -20.122 -0.278 4.362 338 H ASN 45 H ASN 45 -18.747 1.308 3.897 339 HA ASN 45 HA ASN 45 -17.326 1.135 1.324 340 HB2 ASN 45 HB2 ASN 45 -19.021 3.236 2.403 341 HB3 ASN 45 HB3 ASN 45 -17.427 3.838 1.954 342 HD21 ASN 45 HD21 ASN 45 -18.880 1.081 0.402 343 HD22 ASN 45 HD22 ASN 45 -19.156 1.848 -1.131 344 H ASP 46 H ASP 46 -16.860 0.695 4.394 345 HA ASP 46 HA ASP 46 -14.342 2.175 4.616 346 HB2 ASP 46 HB2 ASP 46 -15.997 2.233 6.516 347 HB3 ASP 46 HB3 ASP 46 -15.744 0.507 6.717 348 H PHE 47 H PHE 47 -12.728 1.115 3.679 349 HA PHE 47 HA PHE 47 -12.611 -1.815 3.908 350 HB2 PHE 47 HB2 PHE 47 -11.276 0.095 1.961 351 HB3 PHE 47 HB3 PHE 47 -10.970 -1.637 2.016 352 HD1 PHE 47 HD1 PHE 47 -13.607 0.898 1.425 353 HD2 PHE 47 HD2 PHE 47 -12.390 -3.149 0.923 354 HE1 PHE 47 HE1 PHE 47 -15.513 0.519 -0.077 355 HE2 PHE 47 HE2 PHE 47 -14.295 -3.537 -0.586 356 HZ PHE 47 HZ PHE 47 -15.864 -1.704 -1.087 357 H THR 48 H THR 48 -10.971 -2.720 5.034 358 HA THR 48 HA THR 48 -9.086 -0.889 6.321 359 HB THR 48 HB THR 48 -8.654 -2.676 7.914 360 HG1 THR 48 HG1 THR 48 -9.074 -4.360 6.249 361 HG21 THR 48 HG21 THR 48 -10.521 -1.244 8.444 362 HG22 THR 48 HG22 THR 48 -10.938 -2.899 8.888 363 HG23 THR 48 HG23 THR 48 -11.592 -2.190 7.412 364 H TRP 49 H TRP 49 -6.988 -0.902 5.860 365 HA TRP 49 HA TRP 49 -5.987 -3.076 4.156 366 HB2 TRP 49 HB2 TRP 49 -5.807 -0.233 3.890 367 HB3 TRP 49 HB3 TRP 49 -4.188 -0.859 4.179 368 HD1 TRP 49 HD1 TRP 49 -2.948 -1.529 2.061 369 HE1 TRP 49 HE1 TRP 49 -3.595 -2.289 -0.316 370 HE3 TRP 49 HE3 TRP 49 -8.036 -1.615 2.594 371 HZ2 TRP 49 HZ2 TRP 49 -5.950 -2.845 -1.756 372 HZ3 TRP 49 HZ3 TRP 49 -9.411 -2.268 0.666 373 HH2 TRP 49 HH2 TRP 49 -8.385 -2.871 -1.470 374 H THR 50 H THR 50 -5.180 -4.494 5.592 375 HA THR 50 HA THR 50 -3.506 -3.487 7.769 376 HB THR 50 HB THR 50 -4.374 -6.336 7.375 377 HG1 THR 50 HG1 THR 50 -6.313 -5.340 7.537 378 HG21 THR 50 HG21 THR 50 -2.672 -6.177 9.000 379 HG22 THR 50 HG22 THR 50 -4.176 -6.280 9.913 380 HG23 THR 50 HG23 THR 50 -3.374 -4.723 9.710 381 H GLN 51 H GLN 51 -1.414 -3.319 7.277 382 HA GLN 51 HA GLN 51 -0.246 -5.229 5.373 383 HB2 GLN 51 HB2 GLN 51 0.508 -2.489 6.315 384 HB3 GLN 51 HB3 GLN 51 1.756 -3.551 5.689 385 HG2 GLN 51 HG2 GLN 51 1.077 -2.178 3.904 386 HG3 GLN 51 HG3 GLN 51 0.375 -3.768 3.606 387 HE21 GLN 51 HE21 GLN 51 -1.771 -3.953 3.390 388 HE22 GLN 51 HE22 GLN 51 -2.889 -2.649 3.587 389 H HIS 52 H HIS 52 0.757 -6.917 6.218 390 HA HIS 52 HA HIS 52 1.900 -6.673 8.913 391 HB2 HIS 52 HB2 HIS 52 1.040 -9.080 7.314 392 HB3 HIS 52 HB3 HIS 52 1.939 -9.199 8.818 393 HD2 HIS 52 HD2 HIS 52 -1.635 -8.811 7.555 394 HE1 HIS 52 HE1 HIS 52 -1.693 -8.336 11.761 395 HE2 HIS 52 HE2 HIS 52 -3.067 -8.930 9.720 396 H PHE 53 H PHE 53 4.013 -6.856 9.217 397 HA PHE 53 HA PHE 53 5.695 -7.298 6.859 398 HB2 PHE 53 HB2 PHE 53 5.795 -5.210 8.469 399 HB3 PHE 53 HB3 PHE 53 6.744 -6.299 9.473 400 HD1 PHE 53 HD1 PHE 53 6.542 -5.191 5.922 401 HD2 PHE 53 HD2 PHE 53 9.012 -6.288 9.204 402 HE1 PHE 53 HE1 PHE 53 8.549 -4.651 4.599 403 HE2 PHE 53 HE2 PHE 53 11.009 -5.749 7.895 404 HZ PHE 53 HZ PHE 53 10.780 -4.934 5.583 405 HA PRO 54 HA PRO 54 6.750 -11.303 8.449 406 HB2 PRO 54 HB2 PRO 54 9.138 -11.593 7.090 407 HB3 PRO 54 HB3 PRO 54 7.547 -11.896 6.370 408 HG2 PRO 54 HG2 PRO 54 9.316 -9.532 6.103 409 HG3 PRO 54 HG3 PRO 54 8.263 -10.309 4.904 410 HD2 PRO 54 HD2 PRO 54 7.598 -8.012 6.167 411 HD3 PRO 54 HD3 PRO 54 6.396 -9.198 5.623 412 H GLY 55 H GLY 55 7.352 -11.346 10.512 413 HA2 GLY 55 HA2 GLY 55 8.710 -11.300 12.365 414 HA3 GLY 55 HA3 GLY 55 10.071 -11.180 11.257 415 H GLY 56 H GLY 56 7.587 -8.750 11.076 416 HA2 GLY 56 HA2 GLY 56 9.242 -6.919 12.683 417 HA3 GLY 56 HA3 GLY 56 8.883 -6.501 11.020 418 H ARG 57 H ARG 57 8.063 -4.575 12.145 419 HA ARG 57 HA ARG 57 5.718 -4.711 13.742 420 HB2 ARG 57 HB2 ARG 57 5.673 -2.289 13.562 421 HB3 ARG 57 HB3 ARG 57 7.314 -2.844 13.867 422 HG2 ARG 57 HG2 ARG 57 7.858 -1.442 12.209 423 HG3 ARG 57 HG3 ARG 57 7.283 -2.727 11.143 424 HD2 ARG 57 HD2 ARG 57 6.113 -0.899 10.346 425 HD3 ARG 57 HD3 ARG 57 4.962 -1.593 11.486 426 HE ARG 57 HE ARG 57 6.692 0.463 12.568 427 HH11 ARG 57 HH11 ARG 57 3.599 -0.268 11.045 428 HH12 ARG 57 HH12 ARG 57 2.816 1.248 11.651 429 HH21 ARG 57 HH21 ARG 57 5.729 2.389 13.347 430 HH22 ARG 57 HH22 ARG 57 3.999 2.719 12.927 431 H THR 58 H THR 58 3.604 -4.346 13.263 432 HA THR 58 HA THR 58 2.871 -4.680 10.454 433 HB THR 58 HB THR 58 1.956 -6.209 12.270 434 HG1 THR 58 HG1 THR 58 0.448 -6.548 10.841 435 HG21 THR 58 HG21 THR 58 0.269 -3.781 12.903 436 HG22 THR 58 HG22 THR 58 1.468 -4.516 13.969 437 HG23 THR 58 HG23 THR 58 0.013 -5.409 13.533 438 H THR 59 H THR 59 1.042 -3.431 9.612 439 HA THR 59 HA THR 59 0.632 -0.825 10.905 440 HB THR 59 HB THR 59 1.114 -0.930 7.951 441 HG1 THR 59 HG1 THR 59 2.959 -1.897 8.982 442 HG21 THR 59 HG21 THR 59 1.484 1.362 8.133 443 HG22 THR 59 HG22 THR 59 1.884 1.261 9.848 444 HG23 THR 59 HG23 THR 59 0.211 1.078 9.320 445 H THR 60 H THR 60 -1.542 -0.838 11.217 446 HA THR 60 HA THR 60 -3.227 -1.873 9.028 447 HB THR 60 HB THR 60 -4.119 -1.574 11.881 448 HG1 THR 60 HG1 THR 60 -2.164 -3.024 11.370 449 HG21 THR 60 HG21 THR 60 -5.050 -3.344 9.614 450 HG22 THR 60 HG22 THR 60 -5.849 -1.872 10.161 451 HG23 THR 60 HG23 THR 60 -5.758 -3.273 11.227 452 H ASN 61 H ASN 61 -4.595 -0.525 8.046 453 HA ASN 61 HA ASN 61 -5.348 1.987 9.392 454 HB2 ASN 61 HB2 ASN 61 -4.714 1.811 6.441 455 HB3 ASN 61 HB3 ASN 61 -5.001 3.266 7.390 456 HD21 ASN 61 HD21 ASN 61 -2.698 0.811 6.514 457 HD22 ASN 61 HD22 ASN 61 -1.318 1.587 7.209 458 H SER 62 H SER 62 -7.414 2.666 9.008 459 HA SER 62 HA SER 62 -9.063 0.950 7.285 460 HB2 SER 62 HB2 SER 62 -10.895 1.252 8.958 461 HB3 SER 62 HB3 SER 62 -9.506 0.373 9.595 462 HG SER 62 HG SER 62 -10.598 2.680 10.462 463 H PHE 63 H PHE 63 -10.083 2.054 5.718 464 HA PHE 63 HA PHE 63 -10.537 4.927 6.171 465 HB2 PHE 63 HB2 PHE 63 -9.867 5.369 3.821 466 HB3 PHE 63 HB3 PHE 63 -8.541 4.789 4.823 467 HD1 PHE 63 HD1 PHE 63 -10.782 4.011 2.046 468 HD2 PHE 63 HD2 PHE 63 -7.572 2.610 4.455 469 HE1 PHE 63 HE1 PHE 63 -10.342 2.231 0.413 470 HE2 PHE 63 HE2 PHE 63 -7.121 0.826 2.824 471 HZ PHE 63 HZ PHE 63 -8.512 0.631 0.800 472 H THR 64 H THR 64 -12.349 5.767 5.428 473 HA THR 64 HA THR 64 -14.258 3.959 4.139 474 HB THR 64 HB THR 64 -14.672 6.499 5.731 475 HG1 THR 64 HG1 THR 64 -14.422 4.047 6.536 476 HG21 THR 64 HG21 THR 64 -16.831 4.782 4.524 477 HG22 THR 64 HG22 THR 64 -16.242 6.273 3.780 478 HG23 THR 64 HG23 THR 64 -17.015 6.323 5.366 479 H ILE 65 H ILE 65 -14.773 4.302 2.061 480 HA ILE 65 HA ILE 65 -13.488 6.152 0.444 481 HB ILE 65 HB ILE 65 -16.201 4.930 -0.089 482 HG12 ILE 65 HG12 ILE 65 -14.581 3.183 0.446 483 HG13 ILE 65 HG13 ILE 65 -14.929 3.165 -1.280 484 HG21 ILE 65 HG21 ILE 65 -15.650 5.244 -2.439 485 HG22 ILE 65 HG22 ILE 65 -14.113 5.983 -1.986 486 HG23 ILE 65 HG23 ILE 65 -15.631 6.782 -1.574 487 HD11 ILE 65 HD11 ILE 65 -12.832 4.430 -1.659 488 HD12 ILE 65 HD12 ILE 65 -12.585 2.838 -0.940 489 HD13 ILE 65 HD13 ILE 65 -12.483 4.284 0.064 490 H ASP 66 H ASP 66 -13.708 8.220 0.096 491 HA ASP 66 HA ASP 66 -14.543 10.311 -0.131 492 HB2 ASP 66 HB2 ASP 66 -16.616 9.172 -1.007 493 HB3 ASP 66 HB3 ASP 66 -17.259 9.223 0.630 494 H LYS 67 H LYS 67 -13.717 8.910 2.395 495 HA LYS 67 HA LYS 67 -14.550 11.030 4.235 496 HB2 LYS 67 HB2 LYS 67 -15.899 9.210 4.913 497 HB3 LYS 67 HB3 LYS 67 -14.581 8.069 4.725 498 HG2 LYS 67 HG2 LYS 67 -14.997 8.405 7.050 499 HG3 LYS 67 HG3 LYS 67 -13.443 9.130 6.648 500 HD2 LYS 67 HD2 LYS 67 -14.836 11.306 6.340 501 HD3 LYS 67 HD3 LYS 67 -16.036 10.461 7.316 502 HE2 LYS 67 HE2 LYS 67 -14.608 10.308 9.157 503 HE3 LYS 67 HE3 LYS 67 -13.178 10.661 8.188 504 HZ1 LYS 67 HZ1 LYS 67 -14.066 12.923 7.848 505 HZ2 LYS 67 HZ2 LYS 67 -13.742 12.580 9.476 506 HZ3 LYS 67 HZ3 LYS 67 -15.335 12.566 8.916 507 H GLU 68 H GLU 68 -12.986 11.690 5.698 508 HA GLU 68 HA GLU 68 -10.265 11.229 4.941 509 HB2 GLU 68 HB2 GLU 68 -11.364 12.688 7.358 510 HB3 GLU 68 HB3 GLU 68 -9.720 12.796 6.746 511 HG2 GLU 68 HG2 GLU 68 -10.776 14.742 6.002 512 HG3 GLU 68 HG3 GLU 68 -10.751 13.678 4.597 513 H ALA 69 H ALA 69 -8.948 9.693 5.675 514 HA ALA 69 HA ALA 69 -9.732 8.268 8.136 515 HB1 ALA 69 HB1 ALA 69 -8.913 6.251 7.211 516 HB2 ALA 69 HB2 ALA 69 -8.161 7.099 5.861 517 HB3 ALA 69 HB3 ALA 69 -9.919 7.004 5.974 518 H ASP 70 H ASP 70 -8.061 7.390 9.427 519 HA ASP 70 HA ASP 70 -5.663 9.053 9.491 520 HB2 ASP 70 HB2 ASP 70 -6.748 7.050 11.499 521 HB3 ASP 70 HB3 ASP 70 -5.338 8.072 11.748 522 H MET 71 H MET 71 -3.800 8.290 8.697 523 HA MET 71 HA MET 71 -3.528 5.382 8.434 524 HB2 MET 71 HB2 MET 71 -2.522 7.403 6.451 525 HB3 MET 71 HB3 MET 71 -2.493 5.651 6.294 526 HG2 MET 71 HG2 MET 71 -4.696 5.524 5.778 527 HG3 MET 71 HG3 MET 71 -5.114 6.944 6.723 528 HE1 MET 71 HE1 MET 71 -6.372 7.816 3.231 529 HE2 MET 71 HE2 MET 71 -6.601 8.357 4.896 530 HE3 MET 71 HE3 MET 71 -6.606 6.633 4.522 531 H GLU 72 H GLU 72 -1.324 4.674 8.091 532 HA GLU 72 HA GLU 72 0.817 6.407 9.027 533 HB2 GLU 72 HB2 GLU 72 0.187 5.479 11.132 534 HB3 GLU 72 HB3 GLU 72 -0.109 3.898 10.431 535 HG2 GLU 72 HG2 GLU 72 2.342 3.753 9.948 536 HG3 GLU 72 HG3 GLU 72 2.554 5.217 10.897 537 H THR 73 H THR 73 2.856 5.691 8.278 538 HA THR 73 HA THR 73 2.721 3.582 6.244 539 HB THR 73 HB THR 73 4.717 4.483 5.285 540 HG1 THR 73 HG1 THR 73 5.990 5.984 6.319 541 HG21 THR 73 HG21 THR 73 2.451 5.846 5.198 542 HG22 THR 73 HG22 THR 73 3.925 6.471 4.463 543 HG23 THR 73 HG23 THR 73 3.420 7.046 6.048 544 H MET 74 H MET 74 4.816 2.269 6.058 545 HA MET 74 HA MET 74 5.295 1.035 8.590 546 HB2 MET 74 HB2 MET 74 6.299 0.564 5.797 547 HB3 MET 74 HB3 MET 74 7.090 -0.231 7.153 548 HG2 MET 74 HG2 MET 74 4.961 -1.228 7.808 549 HG3 MET 74 HG3 MET 74 4.171 -0.444 6.441 550 HE1 MET 74 HE1 MET 74 4.234 -4.261 5.619 551 HE2 MET 74 HE2 MET 74 3.439 -3.024 6.596 552 HE3 MET 74 HE3 MET 74 4.786 -3.943 7.261 553 H GLY 75 H GLY 75 6.399 3.826 7.342 554 HA2 GLY 75 HA2 GLY 75 9.146 3.587 8.300 555 HA3 GLY 75 HA3 GLY 75 8.451 4.961 7.444 556 H GLY 76 H GLY 76 6.108 4.306 9.522 557 HA2 GLY 76 HA2 GLY 76 5.693 4.829 11.786 558 HA3 GLY 76 HA3 GLY 76 7.305 5.516 11.901 559 H ARG 77 H ARG 77 4.966 6.278 9.403 560 HA ARG 77 HA ARG 77 5.009 9.069 10.301 561 HB2 ARG 77 HB2 ARG 77 4.027 7.968 7.667 562 HB3 ARG 77 HB3 ARG 77 4.270 9.658 8.075 563 HG2 ARG 77 HG2 ARG 77 6.646 9.280 8.213 564 HG3 ARG 77 HG3 ARG 77 6.411 7.567 7.869 565 HD2 ARG 77 HD2 ARG 77 6.854 8.321 5.773 566 HD3 ARG 77 HD3 ARG 77 5.111 8.523 5.785 567 HE ARG 77 HE ARG 77 5.879 10.906 6.636 568 HH11 ARG 77 HH11 ARG 77 7.217 8.921 4.058 569 HH12 ARG 77 HH12 ARG 77 7.639 10.343 3.033 570 HH21 ARG 77 HH21 ARG 77 6.417 12.731 5.386 571 HH22 ARG 77 HH22 ARG 77 7.205 12.470 3.780 572 H LYS 78 H LYS 78 3.285 9.945 11.227 573 HA LYS 78 HA LYS 78 0.708 8.529 11.087 574 HB2 LYS 78 HB2 LYS 78 1.335 10.796 12.965 575 HB3 LYS 78 HB3 LYS 78 0.123 9.537 13.140 576 HG2 LYS 78 HG2 LYS 78 3.059 8.933 13.184 577 HG3 LYS 78 HG3 LYS 78 2.175 9.410 14.632 578 HD2 LYS 78 HD2 LYS 78 0.645 7.505 14.304 579 HD3 LYS 78 HD3 LYS 78 1.577 7.021 12.884 580 HE2 LYS 78 HE2 LYS 78 3.508 6.578 14.214 581 HE3 LYS 78 HE3 LYS 78 2.769 7.305 15.637 582 HZ1 LYS 78 HZ1 LYS 78 2.058 4.753 14.310 583 HZ2 LYS 78 HZ2 LYS 78 1.066 5.495 15.470 584 HZ3 LYS 78 HZ3 LYS 78 2.621 4.989 15.893 585 H PHE 79 H PHE 79 -0.810 9.370 9.771 586 HA PHE 79 HA PHE 79 -1.079 12.248 9.521 587 HB2 PHE 79 HB2 PHE 79 -0.877 12.218 7.047 588 HB3 PHE 79 HB3 PHE 79 0.630 11.808 7.859 589 HD1 PHE 79 HD1 PHE 79 1.470 9.530 7.857 590 HD2 PHE 79 HD2 PHE 79 -2.015 10.603 5.665 591 HE1 PHE 79 HE1 PHE 79 1.639 7.445 6.583 592 HE2 PHE 79 HE2 PHE 79 -1.854 8.508 4.385 593 HZ PHE 79 HZ PHE 79 -0.029 6.920 4.844 594 H LYS 80 H LYS 80 -2.828 12.722 7.788 595 HA LYS 80 HA LYS 80 -4.935 10.666 7.858 596 HB2 LYS 80 HB2 LYS 80 -5.240 13.627 8.429 597 HB3 LYS 80 HB3 LYS 80 -6.594 12.557 8.098 598 HG2 LYS 80 HG2 LYS 80 -6.650 12.539 10.364 599 HG3 LYS 80 HG3 LYS 80 -5.529 11.198 10.110 600 HD2 LYS 80 HD2 LYS 80 -3.685 12.460 10.725 601 HD3 LYS 80 HD3 LYS 80 -4.490 13.989 10.385 602 HE2 LYS 80 HE2 LYS 80 -4.359 13.862 12.728 603 HE3 LYS 80 HE3 LYS 80 -6.023 13.440 12.337 604 HZ1 LYS 80 HZ1 LYS 80 -5.560 11.146 12.674 605 HZ2 LYS 80 HZ2 LYS 80 -4.955 11.982 14.018 606 HZ3 LYS 80 HZ3 LYS 80 -3.893 11.433 12.827 607 H ALA 81 H ALA 81 -6.246 10.607 5.988 608 HA ALA 81 HA ALA 81 -5.875 12.601 3.922 609 HB1 ALA 81 HB1 ALA 81 -5.167 9.780 3.184 610 HB2 ALA 81 HB2 ALA 81 -3.950 10.919 3.758 611 HB3 ALA 81 HB3 ALA 81 -4.861 11.271 2.289 612 H THR 82 H THR 82 -7.279 12.268 2.081 613 HA THR 82 HA THR 82 -9.709 10.813 2.846 614 HB THR 82 HB THR 82 -9.562 12.709 0.529 615 HG1 THR 82 HG1 THR 82 -10.296 14.199 2.463 616 HG21 THR 82 HG21 THR 82 -11.631 11.445 0.934 617 HG22 THR 82 HG22 THR 82 -11.876 13.173 1.189 618 HG23 THR 82 HG23 THR 82 -11.706 12.096 2.574 619 H VAL 83 H VAL 83 -10.372 9.069 1.743 620 HA VAL 83 HA VAL 83 -8.923 8.382 -0.727 621 HB VAL 83 HB VAL 83 -10.200 6.491 1.262 622 HG11 VAL 83 HG11 VAL 83 -10.267 5.525 -0.908 623 HG12 VAL 83 HG12 VAL 83 -8.919 4.778 -0.049 624 HG13 VAL 83 HG13 VAL 83 -8.612 6.030 -1.254 625 HG21 VAL 83 HG21 VAL 83 -7.896 5.850 1.827 626 HG22 VAL 83 HG22 VAL 83 -8.233 7.540 2.209 627 HG23 VAL 83 HG23 VAL 83 -7.297 7.134 0.772 628 H LYS 84 H LYS 84 -10.091 7.765 -2.499 629 HA LYS 84 HA LYS 84 -13.020 7.707 -2.226 630 HB2 LYS 84 HB2 LYS 84 -13.130 8.947 -4.419 631 HB3 LYS 84 HB3 LYS 84 -12.520 9.896 -3.070 632 HG2 LYS 84 HG2 LYS 84 -10.191 9.121 -3.940 633 HG3 LYS 84 HG3 LYS 84 -11.073 8.815 -5.438 634 HD2 LYS 84 HD2 LYS 84 -11.694 11.091 -5.645 635 HD3 LYS 84 HD3 LYS 84 -11.175 11.453 -3.996 636 HE2 LYS 84 HE2 LYS 84 -8.866 11.069 -4.595 637 HE3 LYS 84 HE3 LYS 84 -9.336 10.554 -6.213 638 HZ1 LYS 84 HZ1 LYS 84 -10.121 12.777 -6.667 639 HZ2 LYS 84 HZ2 LYS 84 -8.510 12.836 -6.167 640 HZ3 LYS 84 HZ3 LYS 84 -9.739 13.282 -5.096 641 H MET 85 H MET 85 -13.878 6.966 -4.600 642 HA MET 85 HA MET 85 -12.178 4.711 -5.432 643 HB2 MET 85 HB2 MET 85 -14.748 4.590 -4.185 644 HB3 MET 85 HB3 MET 85 -14.891 4.004 -5.832 645 HG2 MET 85 HG2 MET 85 -13.033 2.442 -5.400 646 HG3 MET 85 HG3 MET 85 -13.013 2.986 -3.722 647 HE1 MET 85 HE1 MET 85 -13.674 1.014 -2.267 648 HE2 MET 85 HE2 MET 85 -13.160 0.117 -3.698 649 HE3 MET 85 HE3 MET 85 -14.652 -0.325 -2.870 650 H GLU 86 H GLU 86 -11.971 4.418 -7.574 651 HA GLU 86 HA GLU 86 -13.634 6.105 -9.329 652 HB2 GLU 86 HB2 GLU 86 -11.546 5.999 -10.853 653 HB3 GLU 86 HB3 GLU 86 -11.536 7.096 -9.483 654 HG2 GLU 86 HG2 GLU 86 -10.127 5.689 -8.230 655 HG3 GLU 86 HG3 GLU 86 -10.363 4.337 -9.332 656 H GLY 87 H GLY 87 -15.112 4.499 -9.823 657 HA2 GLY 87 HA2 GLY 87 -15.976 2.798 -11.103 658 HA3 GLY 87 HA3 GLY 87 -14.487 2.867 -12.029 659 H GLY 88 H GLY 88 -15.189 1.916 -8.652 660 HA2 GLY 88 HA2 GLY 88 -14.987 -0.168 -7.652 661 HA3 GLY 88 HA3 GLY 88 -14.666 -0.853 -9.236 662 H LYS 89 H LYS 89 -12.683 1.791 -8.444 663 HA LYS 89 HA LYS 89 -10.521 0.023 -7.500 664 HB2 LYS 89 HB2 LYS 89 -10.020 2.377 -9.307 665 HB3 LYS 89 HB3 LYS 89 -8.945 1.038 -8.932 666 HG2 LYS 89 HG2 LYS 89 -10.667 -0.437 -10.132 667 HG3 LYS 89 HG3 LYS 89 -11.320 1.072 -10.767 668 HD2 LYS 89 HD2 LYS 89 -8.485 0.088 -11.104 669 HD3 LYS 89 HD3 LYS 89 -9.745 0.048 -12.334 670 HE2 LYS 89 HE2 LYS 89 -8.868 2.005 -12.982 671 HE3 LYS 89 HE3 LYS 89 -9.778 2.669 -11.628 672 HZ1 LYS 89 HZ1 LYS 89 -7.279 1.673 -10.727 673 HZ2 LYS 89 HZ2 LYS 89 -7.896 3.262 -10.648 674 HZ3 LYS 89 HZ3 LYS 89 -7.043 2.750 -12.015 675 H ILE 90 H ILE 90 -9.651 0.710 -5.639 676 HA ILE 90 HA ILE 90 -10.600 3.169 -4.490 677 HB ILE 90 HB ILE 90 -8.475 1.393 -3.309 678 HG12 ILE 90 HG12 ILE 90 -11.465 1.036 -3.390 679 HG13 ILE 90 HG13 ILE 90 -10.217 -0.147 -3.750 680 HG21 ILE 90 HG21 ILE 90 -8.971 3.668 -2.358 681 HG22 ILE 90 HG22 ILE 90 -9.122 2.318 -1.235 682 HG23 ILE 90 HG23 ILE 90 -10.567 3.051 -1.933 683 HD11 ILE 90 HD11 ILE 90 -11.112 0.859 -1.074 684 HD12 ILE 90 HD12 ILE 90 -9.596 -0.016 -1.299 685 HD13 ILE 90 HD13 ILE 90 -11.130 -0.791 -1.699 686 H VAL 91 H VAL 91 -9.682 5.083 -4.665 687 HA VAL 91 HA VAL 91 -6.807 5.216 -5.258 688 HB VAL 91 HB VAL 91 -8.051 5.855 -7.246 689 HG11 VAL 91 HG11 VAL 91 -10.106 6.553 -6.012 690 HG12 VAL 91 HG12 VAL 91 -9.623 7.602 -7.344 691 HG13 VAL 91 HG13 VAL 91 -9.295 8.082 -5.677 692 HG21 VAL 91 HG21 VAL 91 -6.805 8.227 -5.849 693 HG22 VAL 91 HG22 VAL 91 -7.130 8.118 -7.580 694 HG23 VAL 91 HG23 VAL 91 -5.969 7.025 -6.832 695 H ALA 92 H ALA 92 -5.621 6.404 -3.944 696 HA ALA 92 HA ALA 92 -7.017 8.052 -1.931 697 HB1 ALA 92 HB1 ALA 92 -5.272 7.597 -0.413 698 HB2 ALA 92 HB2 ALA 92 -4.236 6.946 -1.682 699 HB3 ALA 92 HB3 ALA 92 -5.669 6.056 -1.171 700 H ASP 93 H ASP 93 -6.443 10.138 -1.610 701 HA ASP 93 HA ASP 93 -4.780 11.300 -3.698 702 HB2 ASP 93 HB2 ASP 93 -7.021 12.204 -3.391 703 HB3 ASP 93 HB3 ASP 93 -6.629 12.634 -1.731 704 H PHE 94 H PHE 94 -2.846 12.047 -3.376 705 HA PHE 94 HA PHE 94 -1.975 12.963 -0.754 706 HB2 PHE 94 HB2 PHE 94 -0.778 10.609 -2.199 707 HB3 PHE 94 HB3 PHE 94 0.127 11.524 -0.999 708 HD1 PHE 94 HD1 PHE 94 -0.814 11.670 1.344 709 HD2 PHE 94 HD2 PHE 94 -2.233 8.935 -1.590 710 HE1 PHE 94 HE1 PHE 94 -1.839 10.314 3.120 711 HE2 PHE 94 HE2 PHE 94 -3.271 7.578 0.191 712 HZ PHE 94 HZ PHE 94 -3.070 8.268 2.538 713 HA PRO 95 HA PRO 95 0.412 15.752 -3.243 714 HB2 PRO 95 HB2 PRO 95 2.534 16.263 -1.603 715 HB3 PRO 95 HB3 PRO 95 0.910 16.911 -1.304 716 HG2 PRO 95 HG2 PRO 95 2.274 14.589 -0.043 717 HG3 PRO 95 HG3 PRO 95 1.231 15.822 0.689 718 HD2 PRO 95 HD2 PRO 95 0.353 13.331 0.066 719 HD3 PRO 95 HD3 PRO 95 -0.701 14.761 0.072 720 H ASN 96 H ASN 96 1.389 14.993 -5.020 721 HA ASN 96 HA ASN 96 2.882 14.076 -6.437 722 HB2 ASN 96 HB2 ASN 96 4.704 14.073 -4.024 723 HB3 ASN 96 HB3 ASN 96 5.208 13.762 -5.678 724 HD21 ASN 96 HD21 ASN 96 4.388 16.122 -3.353 725 HD22 ASN 96 HD22 ASN 96 4.712 17.517 -4.322 726 H TYR 97 H TYR 97 1.200 12.420 -4.465 727 HA TYR 97 HA TYR 97 2.466 9.852 -5.150 728 HB2 TYR 97 HB2 TYR 97 2.724 10.577 -2.684 729 HB3 TYR 97 HB3 TYR 97 1.003 10.261 -2.547 730 HD1 TYR 97 HD1 TYR 97 0.288 7.843 -3.497 731 HD2 TYR 97 HD2 TYR 97 4.166 8.893 -2.089 732 HE1 TYR 97 HE1 TYR 97 0.761 5.472 -3.051 733 HE2 TYR 97 HE2 TYR 97 4.644 6.526 -1.633 734 HH TYR 97 HH TYR 97 2.582 3.976 -2.732 735 H HIS 98 H HIS 98 1.123 8.472 -6.078 736 HA HIS 98 HA HIS 98 -1.780 8.951 -5.957 737 HB2 HIS 98 HB2 HIS 98 -0.862 9.762 -8.105 738 HB3 HIS 98 HB3 HIS 98 -0.146 8.183 -8.398 739 HD1 HIS 98 HD1 HIS 98 -3.625 9.656 -7.876 740 HD2 HIS 98 HD2 HIS 98 -1.695 6.605 -9.929 741 HE1 HIS 98 HE1 HIS 98 -5.390 8.592 -9.315 742 HE2 HIS 98 HE2 HIS 98 -4.133 6.910 -10.713 743 H HIS 99 H HIS 99 -2.490 7.283 -4.766 744 HA HIS 99 HA HIS 99 -1.377 4.608 -5.294 745 HB2 HIS 99 HB2 HIS 99 -1.361 5.831 -2.933 746 HB3 HIS 99 HB3 HIS 99 -2.987 5.173 -2.847 747 HD2 HIS 99 HD2 HIS 99 -2.685 2.181 -3.757 748 HE1 HIS 99 HE1 HIS 99 0.652 2.010 -1.162 749 HE2 HIS 99 HE2 HIS 99 -1.151 0.644 -2.317 750 H THR 100 H THR 100 -2.625 3.316 -6.443 751 HA THR 100 HA THR 100 -5.543 3.407 -6.035 752 HB THR 100 HB THR 100 -5.784 2.702 -8.435 753 HG1 THR 100 HG1 THR 100 -3.537 2.091 -8.695 754 HG21 THR 100 HG21 THR 100 -5.568 4.948 -9.342 755 HG22 THR 100 HG22 THR 100 -4.503 5.397 -8.011 756 HG23 THR 100 HG23 THR 100 -6.194 5.014 -7.693 757 H ALA 101 H ALA 101 -6.455 1.516 -5.583 758 HA ALA 101 HA ALA 101 -4.836 -0.929 -5.898 759 HB1 ALA 101 HB1 ALA 101 -5.189 -0.366 -3.549 760 HB2 ALA 101 HB2 ALA 101 -6.071 -1.834 -3.968 761 HB3 ALA 101 HB3 ALA 101 -6.931 -0.305 -3.811 762 H GLU 102 H GLU 102 -5.669 -2.527 -7.107 763 HA GLU 102 HA GLU 102 -8.524 -2.715 -7.524 764 HB2 GLU 102 HB2 GLU 102 -8.278 -2.751 -10.013 765 HB3 GLU 102 HB3 GLU 102 -8.026 -1.170 -9.284 766 HG2 GLU 102 HG2 GLU 102 -5.504 -2.040 -9.313 767 HG3 GLU 102 HG3 GLU 102 -6.133 -2.948 -10.689 768 H ILE 103 H ILE 103 -9.031 -4.576 -8.981 769 HA ILE 103 HA ILE 103 -7.184 -6.785 -8.381 770 HB ILE 103 HB ILE 103 -10.126 -7.052 -8.977 771 HG12 ILE 103 HG12 ILE 103 -9.743 -5.660 -6.930 772 HG13 ILE 103 HG13 ILE 103 -10.568 -7.183 -6.607 773 HG21 ILE 103 HG21 ILE 103 -9.856 -9.252 -7.928 774 HG22 ILE 103 HG22 ILE 103 -8.140 -8.918 -7.698 775 HG23 ILE 103 HG23 ILE 103 -8.800 -9.052 -9.328 776 HD11 ILE 103 HD11 ILE 103 -8.619 -8.135 -5.672 777 HD12 ILE 103 HD12 ILE 103 -8.792 -6.529 -4.964 778 HD13 ILE 103 HD13 ILE 103 -7.612 -6.807 -6.246 779 H SER 104 H SER 104 -6.222 -7.700 -10.062 780 HA SER 104 HA SER 104 -7.582 -7.623 -12.662 781 HB2 SER 104 HB2 SER 104 -4.800 -6.754 -11.985 782 HB3 SER 104 HB3 SER 104 -5.139 -7.409 -13.588 783 HG SER 104 HG SER 104 -5.852 -4.994 -12.466 784 H GLY 105 H GLY 105 -8.163 -9.667 -12.902 785 HA2 GLY 105 HA2 GLY 105 -7.935 -11.898 -13.391 786 HA3 GLY 105 HA3 GLY 105 -6.195 -11.673 -13.378 787 H GLY 106 H GLY 106 -8.295 -10.922 -10.666 788 HA2 GLY 106 HA2 GLY 106 -8.578 -11.982 -8.625 789 HA3 GLY 106 HA3 GLY 106 -7.788 -13.403 -9.296 790 H LYS 107 H LYS 107 -6.174 -10.390 -9.572 791 HA LYS 107 HA LYS 107 -4.470 -11.023 -7.265 792 HB2 LYS 107 HB2 LYS 107 -3.715 -10.633 -10.108 793 HB3 LYS 107 HB3 LYS 107 -2.690 -9.852 -8.912 794 HG2 LYS 107 HG2 LYS 107 -1.602 -11.815 -8.969 795 HG3 LYS 107 HG3 LYS 107 -2.859 -12.297 -7.829 796 HD2 LYS 107 HD2 LYS 107 -4.157 -13.289 -9.596 797 HD3 LYS 107 HD3 LYS 107 -3.037 -12.672 -10.812 798 HE2 LYS 107 HE2 LYS 107 -2.691 -15.067 -10.322 799 HE3 LYS 107 HE3 LYS 107 -1.274 -14.078 -9.979 800 HZ1 LYS 107 HZ1 LYS 107 -1.425 -14.442 -7.781 801 HZ2 LYS 107 HZ2 LYS 107 -2.201 -15.863 -8.292 802 HZ3 LYS 107 HZ3 LYS 107 -3.119 -14.540 -7.780 803 H LEU 108 H LEU 108 -3.795 -9.328 -6.073 804 HA LEU 108 HA LEU 108 -5.101 -6.778 -6.549 805 HB2 LEU 108 HB2 LEU 108 -4.992 -7.876 -4.291 806 HB3 LEU 108 HB3 LEU 108 -3.262 -7.630 -4.304 807 HG LEU 108 HG LEU 108 -4.719 -6.019 -2.955 808 HD11 LEU 108 HD11 LEU 108 -2.736 -4.890 -4.912 809 HD12 LEU 108 HD12 LEU 108 -2.352 -5.669 -3.376 810 HD13 LEU 108 HD13 LEU 108 -3.250 -4.151 -3.396 811 HD21 LEU 108 HD21 LEU 108 -5.603 -4.100 -4.161 812 HD22 LEU 108 HD22 LEU 108 -6.407 -5.589 -4.656 813 HD23 LEU 108 HD23 LEU 108 -5.187 -4.859 -5.698 814 H VAL 109 H VAL 109 -4.123 -5.259 -7.724 815 HA VAL 109 HA VAL 109 -1.188 -5.156 -7.617 816 HB VAL 109 HB VAL 109 -1.637 -5.994 -9.779 817 HG11 VAL 109 HG11 VAL 109 -3.183 -4.853 -11.370 818 HG12 VAL 109 HG12 VAL 109 -3.736 -3.844 -10.032 819 HG13 VAL 109 HG13 VAL 109 -3.989 -5.588 -9.985 820 HG21 VAL 109 HG21 VAL 109 0.036 -4.257 -9.752 821 HG22 VAL 109 HG22 VAL 109 -1.198 -3.017 -9.957 822 HG23 VAL 109 HG23 VAL 109 -0.879 -4.163 -11.259 823 H GLU 110 H GLU 110 -0.763 -3.489 -6.402 824 HA GLU 110 HA GLU 110 -2.417 -1.088 -6.572 825 HB2 GLU 110 HB2 GLU 110 -0.541 -2.226 -4.561 826 HB3 GLU 110 HB3 GLU 110 -0.685 -0.476 -4.639 827 HG2 GLU 110 HG2 GLU 110 -2.996 -0.557 -4.133 828 HG3 GLU 110 HG3 GLU 110 -3.050 -2.307 -4.362 829 H ILE 111 H ILE 111 -1.715 0.775 -7.386 830 HA ILE 111 HA ILE 111 1.056 0.854 -8.371 831 HB ILE 111 HB ILE 111 -1.409 2.160 -9.552 832 HG12 ILE 111 HG12 ILE 111 -0.190 0.906 -11.599 833 HG13 ILE 111 HG13 ILE 111 0.330 -0.133 -10.285 834 HG21 ILE 111 HG21 ILE 111 0.208 3.035 -11.278 835 HG22 ILE 111 HG22 ILE 111 1.507 2.589 -10.169 836 HG23 ILE 111 HG23 ILE 111 0.312 3.797 -9.690 837 HD11 ILE 111 HD11 ILE 111 -2.501 0.488 -11.080 838 HD12 ILE 111 HD12 ILE 111 -2.044 -0.447 -9.655 839 HD13 ILE 111 HD13 ILE 111 -1.646 -1.044 -11.267 840 H SER 112 H SER 112 2.321 2.377 -7.589 841 HA SER 112 HA SER 112 1.101 4.642 -6.153 842 HB2 SER 112 HB2 SER 112 3.642 3.168 -5.428 843 HB3 SER 112 HB3 SER 112 2.965 4.546 -4.564 844 HG SER 112 HG SER 112 1.120 2.607 -4.847 845 H THR 113 H THR 113 1.369 6.262 -7.573 846 HA THR 113 HA THR 113 3.875 6.523 -9.024 847 HB THR 113 HB THR 113 1.854 8.665 -9.200 848 HG1 THR 113 HG1 THR 113 0.864 6.901 -10.815 849 HG21 THR 113 HG21 THR 113 3.335 7.014 -11.250 850 HG22 THR 113 HG22 THR 113 3.822 8.597 -10.640 851 HG23 THR 113 HG23 THR 113 2.344 8.435 -11.591 852 H SER 114 H SER 114 5.500 7.746 -8.264 853 HA SER 114 HA SER 114 4.824 9.986 -6.508 854 HB2 SER 114 HB2 SER 114 6.949 7.893 -6.013 855 HB3 SER 114 HB3 SER 114 6.884 9.438 -5.162 856 HG SER 114 HG SER 114 4.963 8.851 -4.255 857 H SER 115 H SER 115 5.303 11.644 -7.687 858 HA SER 115 HA SER 115 6.419 13.152 -8.917 859 HB2 SER 115 HB2 SER 115 8.913 11.754 -7.973 860 HB3 SER 115 HB3 SER 115 8.769 13.437 -8.471 861 HG SER 115 HG SER 115 7.358 13.734 -6.661 862 H GLY 116 H GLY 116 5.564 10.785 -10.272 863 HA2 GLY 116 HA2 GLY 116 5.764 10.562 -12.664 864 HA3 GLY 116 HA3 GLY 116 7.481 10.878 -12.508 865 H VAL 117 H VAL 117 7.933 9.052 -10.322 866 HA VAL 117 HA VAL 117 8.308 6.668 -11.860 867 HB VAL 117 HB VAL 117 8.800 7.209 -8.929 868 HG11 VAL 117 HG11 VAL 117 9.495 4.811 -10.615 869 HG12 VAL 117 HG12 VAL 117 8.456 4.849 -9.191 870 HG13 VAL 117 HG13 VAL 117 10.190 5.140 -9.030 871 HG21 VAL 117 HG21 VAL 117 10.566 7.187 -11.366 872 HG22 VAL 117 HG22 VAL 117 11.203 7.106 -9.724 873 HG23 VAL 117 HG23 VAL 117 10.279 8.517 -10.244 874 H VAL 118 H VAL 118 6.885 5.136 -12.178 875 HA VAL 118 HA VAL 118 4.553 4.903 -10.443 876 HB VAL 118 HB VAL 118 5.132 3.559 -13.084 877 HG11 VAL 118 HG11 VAL 118 3.584 2.292 -11.649 878 HG12 VAL 118 HG12 VAL 118 2.779 2.944 -13.079 879 HG13 VAL 118 HG13 VAL 118 2.566 3.724 -11.510 880 HG21 VAL 118 HG21 VAL 118 3.022 5.605 -12.782 881 HG22 VAL 118 HG22 VAL 118 4.065 5.251 -14.162 882 HG23 VAL 118 HG23 VAL 118 4.691 6.169 -12.790 883 H TYR 119 H TYR 119 4.805 3.620 -8.759 884 HA TYR 119 HA TYR 119 6.448 1.202 -9.001 885 HB2 TYR 119 HB2 TYR 119 6.943 2.565 -7.061 886 HB3 TYR 119 HB3 TYR 119 5.248 2.601 -6.601 887 HD1 TYR 119 HD1 TYR 119 7.936 0.093 -7.265 888 HD2 TYR 119 HD2 TYR 119 4.586 1.205 -4.895 889 HE1 TYR 119 HE1 TYR 119 8.290 -1.887 -5.850 890 HE2 TYR 119 HE2 TYR 119 4.937 -0.764 -3.464 891 HH TYR 119 HH TYR 119 7.706 -2.911 -3.931 892 H LYS 120 H LYS 120 5.540 -0.744 -9.198 893 HA LYS 120 HA LYS 120 2.667 -1.003 -8.599 894 HB2 LYS 120 HB2 LYS 120 4.320 -2.344 -10.731 895 HB3 LYS 120 HB3 LYS 120 2.682 -2.823 -10.325 896 HG2 LYS 120 HG2 LYS 120 1.771 -0.864 -11.176 897 HG3 LYS 120 HG3 LYS 120 3.318 -0.014 -11.129 898 HD2 LYS 120 HD2 LYS 120 4.155 -1.572 -12.873 899 HD3 LYS 120 HD3 LYS 120 2.532 -2.261 -12.976 900 HE2 LYS 120 HE2 LYS 120 1.669 -0.420 -14.010 901 HE3 LYS 120 HE3 LYS 120 2.813 0.683 -13.246 902 HZ1 LYS 120 HZ1 LYS 120 3.173 -1.017 -15.620 903 HZ2 LYS 120 HZ2 LYS 120 4.526 -0.569 -14.706 904 HZ3 LYS 120 HZ3 LYS 120 3.549 0.619 -15.416 905 H ARG 121 H ARG 121 1.998 -2.746 -7.440 906 HA ARG 121 HA ARG 121 3.975 -4.794 -6.783 907 HB2 ARG 121 HB2 ARG 121 3.520 -4.724 -4.433 908 HB3 ARG 121 HB3 ARG 121 3.967 -3.108 -4.947 909 HG2 ARG 121 HG2 ARG 121 2.181 -2.419 -3.820 910 HG3 ARG 121 HG3 ARG 121 1.224 -3.091 -5.138 911 HD2 ARG 121 HD2 ARG 121 0.743 -5.046 -3.967 912 HD3 ARG 121 HD3 ARG 121 2.109 -4.836 -2.871 913 HE ARG 121 HE ARG 121 0.207 -2.733 -2.578 914 HH11 ARG 121 HH11 ARG 121 0.701 -6.153 -1.820 915 HH12 ARG 121 HH12 ARG 121 -0.263 -6.050 -0.295 916 HH21 ARG 121 HH21 ARG 121 -1.026 -2.595 -0.694 917 HH22 ARG 121 HH22 ARG 121 -1.222 -4.074 0.332 918 H THR 122 H THR 122 3.200 -6.681 -7.227 919 HA THR 122 HA THR 122 0.308 -7.054 -7.461 920 HB THR 122 HB THR 122 2.215 -9.217 -8.200 921 HG1 THR 122 HG1 THR 122 1.869 -7.282 -10.162 922 HG21 THR 122 HG21 THR 122 -0.227 -9.416 -8.519 923 HG22 THR 122 HG22 THR 122 0.660 -9.517 -10.038 924 HG23 THR 122 HG23 THR 122 -0.180 -8.027 -9.605 925 H SER 123 H SER 123 -0.797 -8.304 -6.076 926 HA SER 123 HA SER 123 0.711 -10.121 -4.333 927 HB2 SER 123 HB2 SER 123 -1.502 -8.311 -3.343 928 HB3 SER 123 HB3 SER 123 -0.506 -9.399 -2.376 929 HG SER 123 HG SER 123 1.006 -7.687 -3.843 930 H LYS 124 H LYS 124 -0.173 -12.080 -4.141 931 HA LYS 124 HA LYS 124 -2.527 -12.666 -5.693 932 HB2 LYS 124 HB2 LYS 124 -2.068 -14.991 -5.188 933 HB3 LYS 124 HB3 LYS 124 -0.582 -14.186 -5.662 934 HG2 LYS 124 HG2 LYS 124 0.095 -14.013 -3.327 935 HG3 LYS 124 HG3 LYS 124 -1.412 -14.782 -2.830 936 HD2 LYS 124 HD2 LYS 124 -0.784 -16.818 -3.989 937 HD3 LYS 124 HD3 LYS 124 0.689 -16.051 -4.581 938 HE2 LYS 124 HE2 LYS 124 1.503 -15.799 -2.299 939 HE3 LYS 124 HE3 LYS 124 0.013 -16.496 -1.677 940 HZ1 LYS 124 HZ1 LYS 124 1.758 -18.134 -1.707 941 HZ2 LYS 124 HZ2 LYS 124 2.025 -17.891 -3.357 942 HZ3 LYS 124 HZ3 LYS 124 0.571 -18.571 -2.827 943 H LYS 125 H LYS 125 -4.454 -13.601 -4.933 944 HA LYS 125 HA LYS 125 -5.183 -12.747 -2.252 945 HB2 LYS 125 HB2 LYS 125 -6.545 -12.540 -4.572 946 HB3 LYS 125 HB3 LYS 125 -7.211 -14.057 -3.981 947 HG2 LYS 125 HG2 LYS 125 -7.178 -11.452 -2.459 948 HG3 LYS 125 HG3 LYS 125 -8.568 -12.117 -3.315 949 HD2 LYS 125 HD2 LYS 125 -7.192 -13.740 -1.214 950 HD3 LYS 125 HD3 LYS 125 -8.310 -12.458 -0.739 951 HE2 LYS 125 HE2 LYS 125 -10.108 -13.476 -1.827 952 HE3 LYS 125 HE3 LYS 125 -9.063 -14.564 -2.738 953 HZ1 LYS 125 HZ1 LYS 125 -9.916 -15.906 -1.096 954 HZ2 LYS 125 HZ2 LYS 125 -9.871 -14.698 0.083 955 HZ3 LYS 125 HZ3 LYS 125 -8.438 -15.440 -0.415 956 H ILE 126 H ILE 126 -5.035 -14.067 -0.634 957 HA ILE 126 HA ILE 126 -5.605 -16.923 -1.032 958 HB ILE 126 HB ILE 126 -3.678 -16.406 1.086 959 HG12 ILE 126 HG12 ILE 126 -1.842 -16.439 -0.873 960 HG13 ILE 126 HG13 ILE 126 -3.080 -15.462 -1.658 961 HG21 ILE 126 HG21 ILE 126 -4.383 -18.622 0.223 962 HG22 ILE 126 HG22 ILE 126 -2.635 -18.375 0.240 963 HG23 ILE 126 HG23 ILE 126 -3.526 -18.254 -1.276 964 HD11 ILE 126 HD11 ILE 126 -1.697 -14.913 0.949 965 HD12 ILE 126 HD12 ILE 126 -3.061 -13.979 0.336 966 HD13 ILE 126 HD13 ILE 126 -1.545 -14.014 -0.561 967 H ALA 127 H ALA 127 -5.944 -17.986 1.166 968 HA ALA 127 HA ALA 127 -6.890 -16.204 3.251 969 HB1 ALA 127 HB1 ALA 127 -9.076 -17.408 3.381 970 HB2 ALA 127 HB2 ALA 127 -8.709 -18.137 1.818 971 HB3 ALA 127 HB3 ALA 127 -8.886 -16.386 1.956 972 H11 CHO 200 H11 CHO 200 6.433 0.039 -1.295 973 H12 CHO 200 H12 CHO 200 7.011 -1.083 -0.028 974 H21 CHO 200 H21 CHO 200 5.211 -0.343 1.472 975 H22 CHO 200 H22 CHO 200 4.541 -0.945 -0.069 976 H3 CHO 200 H3 CHO 200 4.307 1.368 -0.889 977 HO3 CHO 200 HO3 CHO 200 2.639 1.990 0.598 978 H41 CHO 200 H41 CHO 200 5.329 2.134 1.884 979 H42 CHO 200 H42 CHO 200 4.761 3.260 0.621 980 H5 CHO 200 H5 CHO 200 6.563 2.498 -0.876 981 H61 CHO 200 H61 CHO 200 6.917 4.411 0.691 982 H62 CHO 200 H62 CHO 200 8.428 3.536 0.342 983 H7 CHO 200 H7 CHO 200 8.260 3.999 2.736 984 HO7 CHO 200 HO7 CHO 200 6.501 3.038 3.950 985 H8 CHO 200 H8 CHO 200 9.334 1.923 2.080 986 H9 CHO 200 H9 CHO 200 6.562 0.692 2.357 987 H111 CHO 200 H111 CHO 200 9.202 -0.618 1.630 988 H112 CHO 200 H112 CHO 200 7.594 -1.405 1.737 989 H121 CHO 200 H121 CHO 200 8.989 -1.818 3.761 990 H122 CHO 200 H122 CHO 200 7.486 -0.947 4.131 991 H14 CHO 200 H14 CHO 200 7.468 1.610 4.391 992 H151 CHO 200 H151 CHO 200 8.893 3.467 5.026 993 H152 CHO 200 H152 CHO 200 10.294 2.832 4.236 994 H161 CHO 200 H161 CHO 200 9.129 2.113 6.904 995 H162 CHO 200 H162 CHO 200 10.769 1.838 6.356 996 H17 CHO 200 H17 CHO 200 8.414 -0.019 6.213 997 H181 CHO 200 H181 CHO 200 10.930 1.419 3.474 998 H182 CHO 200 H182 CHO 200 10.645 -0.111 2.609 999 H183 CHO 200 H183 CHO 200 11.384 -0.128 4.227 1000 H191 CHO 200 H191 CHO 200 9.001 2.064 -0.506 1001 H192 CHO 200 H192 CHO 200 8.693 0.461 -1.216 1002 H193 CHO 200 H193 CHO 200 9.481 0.593 0.374 1003 H20 CHO 200 H20 CHO 200 11.340 -0.462 5.890 1004 H211 CHO 200 H211 CHO 200 9.873 -2.745 6.789 1005 H212 CHO 200 H212 CHO 200 10.826 -2.548 5.298 1006 H213 CHO 200 H213 CHO 200 9.096 -2.130 5.310 1007 H221 CHO 200 H221 CHO 200 9.455 -0.790 8.254 1008 H222 CHO 200 H222 CHO 200 10.763 0.419 8.089 1009 H231 CHO 200 H231 CHO 200 12.415 -1.425 7.931 1010 H232 CHO 200 H232 CHO 200 11.082 -2.596 8.196 1011 HN CHO 200 HN CHO 200 11.481 -3.464 10.177 1012 H261 CHO 200 H261 CHO 200 11.509 -1.587 12.462 1013 H262 CHO 200 H262 CHO 200 12.730 -2.880 12.329 1014 H11 CHO 201 H11 CHO 201 -6.358 4.297 0.599 1015 H12 CHO 201 H12 CHO 201 -4.949 5.087 -0.164 1016 H21 CHO 201 H21 CHO 201 -3.981 2.898 -0.699 1017 H22 CHO 201 H22 CHO 201 -5.631 3.032 -1.372 1018 H3 CHO 201 H3 CHO 201 -6.528 1.745 0.531 1019 HO3 CHO 201 HO3 CHO 201 -4.203 0.521 -0.701 1020 H41 CHO 201 H41 CHO 201 -3.609 1.547 1.394 1021 H42 CHO 201 H42 CHO 201 -4.989 0.729 2.168 1022 H5 CHO 201 H5 CHO 201 -6.009 2.928 2.663 1023 H61 CHO 201 H61 CHO 201 -4.473 1.828 4.294 1024 H62 CHO 201 H62 CHO 201 -4.446 3.606 4.420 1025 H7 CHO 201 H7 CHO 201 -2.166 2.756 4.500 1026 HO7 CHO 201 HO7 CHO 201 -1.351 1.611 2.572 1027 H8 CHO 201 H8 CHO 201 -2.495 4.866 3.363 1028 H9 CHO 201 H9 CHO 201 -2.789 3.179 0.838 1029 H111 CHO 201 H111 CHO 201 -2.884 6.193 1.139 1030 H112 CHO 201 H112 CHO 201 -3.054 5.227 -0.368 1031 H121 CHO 201 H121 CHO 201 -0.787 6.240 -0.121 1032 H122 CHO 201 H122 CHO 201 -0.752 4.469 -0.198 1033 H14 CHO 201 H14 CHO 201 -0.609 3.040 1.925 1034 H151 CHO 201 H151 CHO 201 0.167 3.155 4.260 1035 H152 CHO 201 H152 CHO 201 -0.184 4.827 4.429 1036 H161 CHO 201 H161 CHO 201 2.019 3.465 2.809 1037 H162 CHO 201 H162 CHO 201 2.135 4.979 3.679 1038 H17 CHO 201 H17 CHO 201 1.487 4.593 0.858 1039 H181 CHO 201 H181 CHO 201 -0.778 7.381 2.039 1040 H182 CHO 201 H182 CHO 201 -0.102 6.570 3.473 1041 H183 CHO 201 H183 CHO 201 -1.803 6.306 3.020 1042 H191 CHO 201 H191 CHO 201 -4.747 6.255 1.952 1043 H192 CHO 201 H192 CHO 201 -4.113 5.413 3.387 1044 H193 CHO 201 H193 CHO 201 -5.837 5.279 2.965 1045 H20 CHO 201 H20 CHO 201 1.545 7.079 2.523 1046 H211 CHO 201 H211 CHO 201 1.137 6.559 -0.386 1047 H212 CHO 201 H212 CHO 201 2.209 7.907 0.066 1048 H213 CHO 201 H213 CHO 201 0.526 7.876 0.644 1049 H221 CHO 201 H221 CHO 201 3.655 5.711 0.812 1050 H222 CHO 201 H222 CHO 201 3.638 5.830 2.600 1051 H231 CHO 201 H231 CHO 201 3.698 8.317 2.385 1052 H232 CHO 201 H232 CHO 201 3.879 8.115 0.617 1053 HN CHO 201 HN CHO 201 5.294 5.719 2.748 1054 H261 CHO 201 H261 CHO 201 7.978 6.466 1.859 1055 H262 CHO 201 H262 CHO 201 7.482 4.986 2.709 Start of MODEL 9 1 H ALA 1 H ALA 1 -15.608 -7.725 -4.798 2 HA ALA 1 HA ALA 1 -13.816 -9.321 -4.321 3 HB1 ALA 1 HB1 ALA 1 -12.570 -8.868 -6.432 4 HB2 ALA 1 HB2 ALA 1 -13.416 -7.325 -6.537 5 HB3 ALA 1 HB3 ALA 1 -14.325 -8.838 -6.601 6 H PHE 2 H PHE 2 -13.305 -6.509 -2.880 7 HA PHE 2 HA PHE 2 -10.404 -6.457 -3.108 8 HB2 PHE 2 HB2 PHE 2 -12.442 -4.640 -1.887 9 HB3 PHE 2 HB3 PHE 2 -10.782 -4.573 -1.304 10 HD1 PHE 2 HD1 PHE 2 -8.965 -4.448 -3.218 11 HD2 PHE 2 HD2 PHE 2 -13.031 -3.273 -3.630 12 HE1 PHE 2 HE1 PHE 2 -8.347 -3.014 -5.123 13 HE2 PHE 2 HE2 PHE 2 -12.427 -1.836 -5.537 14 HZ PHE 2 HZ PHE 2 -10.081 -1.702 -6.287 15 H THR 3 H THR 3 -12.855 -7.665 -1.017 16 HA THR 3 HA THR 3 -11.429 -7.799 1.400 17 HB THR 3 HB THR 3 -13.390 -9.936 0.700 18 HG1 THR 3 HG1 THR 3 -15.101 -8.455 0.986 19 HG21 THR 3 HG21 THR 3 -12.937 -8.184 3.114 20 HG22 THR 3 HG22 THR 3 -12.445 -9.868 2.934 21 HG23 THR 3 HG23 THR 3 -14.159 -9.450 2.998 22 H GLY 4 H GLY 4 -10.182 -9.416 2.329 23 HA2 GLY 4 HA2 GLY 4 -9.612 -11.896 2.084 24 HA3 GLY 4 HA3 GLY 4 -9.196 -11.441 0.435 25 H LYS 5 H LYS 5 -7.318 -12.645 1.967 26 HA LYS 5 HA LYS 5 -5.578 -10.476 2.895 27 HB2 LYS 5 HB2 LYS 5 -4.736 -11.951 4.372 28 HB3 LYS 5 HB3 LYS 5 -6.044 -13.027 3.906 29 HG2 LYS 5 HG2 LYS 5 -4.443 -13.812 2.056 30 HG3 LYS 5 HG3 LYS 5 -3.191 -13.037 3.016 31 HD2 LYS 5 HD2 LYS 5 -5.064 -15.206 3.963 32 HD3 LYS 5 HD3 LYS 5 -3.365 -15.419 3.534 33 HE2 LYS 5 HE2 LYS 5 -2.821 -14.963 5.633 34 HE3 LYS 5 HE3 LYS 5 -3.452 -13.331 5.410 35 HZ1 LYS 5 HZ1 LYS 5 -5.529 -15.245 5.882 36 HZ2 LYS 5 HZ2 LYS 5 -5.201 -13.778 6.684 37 HZ3 LYS 5 HZ3 LYS 5 -4.404 -15.200 7.147 38 H TYR 6 H TYR 6 -3.604 -10.059 1.879 39 HA TYR 6 HA TYR 6 -3.169 -11.478 -0.664 40 HB2 TYR 6 HB2 TYR 6 -2.941 -8.492 -0.215 41 HB3 TYR 6 HB3 TYR 6 -2.556 -9.330 -1.716 42 HD1 TYR 6 HD1 TYR 6 -5.258 -8.171 0.476 43 HD2 TYR 6 HD2 TYR 6 -4.329 -10.169 -3.158 44 HE1 TYR 6 HE1 TYR 6 -7.600 -7.949 -0.237 45 HE2 TYR 6 HE2 TYR 6 -6.663 -9.941 -3.887 46 HH TYR 6 HH TYR 6 -9.012 -8.106 -1.995 47 H GLU 7 H GLU 7 -1.103 -11.932 -1.175 48 HA GLU 7 HA GLU 7 0.949 -11.024 0.722 49 HB2 GLU 7 HB2 GLU 7 0.505 -13.718 -0.542 50 HB3 GLU 7 HB3 GLU 7 2.085 -13.244 0.085 51 HG2 GLU 7 HG2 GLU 7 1.185 -12.970 2.297 52 HG3 GLU 7 HG3 GLU 7 -0.447 -13.263 1.711 53 H PHE 8 H PHE 8 3.034 -10.687 -0.110 54 HA PHE 8 HA PHE 8 3.239 -9.250 -2.447 55 HB2 PHE 8 HB2 PHE 8 4.874 -9.539 -0.432 56 HB3 PHE 8 HB3 PHE 8 5.575 -10.823 -1.407 57 HD1 PHE 8 HD1 PHE 8 6.260 -10.168 -3.835 58 HD2 PHE 8 HD2 PHE 8 5.606 -7.360 -0.699 59 HE1 PHE 8 HE1 PHE 8 7.599 -8.504 -5.049 60 HE2 PHE 8 HE2 PHE 8 6.954 -5.692 -1.914 61 HZ PHE 8 HZ PHE 8 7.952 -6.267 -4.088 62 H GLU 9 H GLU 9 3.143 -9.803 -4.522 63 HA GLU 9 HA GLU 9 3.894 -12.544 -5.276 64 HB2 GLU 9 HB2 GLU 9 1.507 -12.200 -5.530 65 HB3 GLU 9 HB3 GLU 9 1.784 -10.741 -6.472 66 HG2 GLU 9 HG2 GLU 9 2.047 -11.886 -8.356 67 HG3 GLU 9 HG3 GLU 9 3.110 -13.069 -7.592 68 H SER 10 H SER 10 3.844 -9.150 -6.369 69 HA SER 10 HA SER 10 6.374 -9.594 -7.716 70 HB2 SER 10 HB2 SER 10 5.672 -9.023 -9.900 71 HB3 SER 10 HB3 SER 10 4.476 -10.174 -9.325 72 HG SER 10 HG SER 10 3.463 -8.410 -10.290 73 H ASP 11 H ASP 11 7.087 -7.496 -8.821 74 HA ASP 11 HA ASP 11 5.962 -5.066 -7.795 75 HB2 ASP 11 HB2 ASP 11 7.662 -4.369 -6.383 76 HB3 ASP 11 HB3 ASP 11 7.498 -6.071 -5.967 77 H GLU 12 H GLU 12 6.834 -3.219 -8.754 78 HA GLU 12 HA GLU 12 8.826 -3.545 -10.856 79 HB2 GLU 12 HB2 GLU 12 6.817 -4.029 -12.049 80 HB3 GLU 12 HB3 GLU 12 5.978 -2.694 -11.282 81 HG2 GLU 12 HG2 GLU 12 7.400 -1.116 -12.498 82 HG3 GLU 12 HG3 GLU 12 8.204 -2.471 -13.288 83 H ASN 13 H ASN 13 9.997 -1.769 -11.184 84 HA ASN 13 HA ASN 13 10.955 0.265 -10.854 85 HB2 ASN 13 HB2 ASN 13 8.041 0.974 -10.715 86 HB3 ASN 13 HB3 ASN 13 9.275 2.200 -10.443 87 HD21 ASN 13 HD21 ASN 13 7.288 1.911 -12.572 88 HD22 ASN 13 HD22 ASN 13 8.186 1.906 -14.053 89 H TYR 14 H TYR 14 10.736 -1.502 -8.618 90 HA TYR 14 HA TYR 14 9.897 -0.195 -6.266 91 HB2 TYR 14 HB2 TYR 14 10.358 -2.666 -6.503 92 HB3 TYR 14 HB3 TYR 14 12.077 -2.284 -6.457 93 HD1 TYR 14 HD1 TYR 14 12.995 -1.124 -4.371 94 HD2 TYR 14 HD2 TYR 14 9.136 -2.916 -4.509 95 HE1 TYR 14 HE1 TYR 14 12.933 -1.173 -1.916 96 HE2 TYR 14 HE2 TYR 14 9.069 -2.968 -2.050 97 HH TYR 14 HH TYR 14 10.567 -2.891 -0.149 98 H ASP 15 H ASP 15 13.206 -0.697 -7.503 99 HA ASP 15 HA ASP 15 14.477 0.862 -5.538 100 HB2 ASP 15 HB2 ASP 15 15.502 0.411 -8.332 101 HB3 ASP 15 HB3 ASP 15 16.450 0.716 -6.883 102 H ASP 16 H ASP 16 13.217 1.698 -8.714 103 HA ASP 16 HA ASP 16 14.254 4.319 -8.860 104 HB2 ASP 16 HB2 ASP 16 11.879 2.971 -10.125 105 HB3 ASP 16 HB3 ASP 16 12.198 4.681 -10.395 106 H PHE 17 H PHE 17 11.297 2.987 -7.543 107 HA PHE 17 HA PHE 17 10.030 5.418 -6.876 108 HB2 PHE 17 HB2 PHE 17 8.895 3.224 -7.071 109 HB3 PHE 17 HB3 PHE 17 9.717 2.689 -5.615 110 HD1 PHE 17 HD1 PHE 17 7.589 5.539 -6.751 111 HD2 PHE 17 HD2 PHE 17 8.542 2.775 -3.658 112 HE1 PHE 17 HE1 PHE 17 5.727 6.413 -5.400 113 HE2 PHE 17 HE2 PHE 17 6.688 3.652 -2.300 114 HZ PHE 17 HZ PHE 17 5.277 5.467 -3.174 115 H VAL 18 H VAL 18 11.769 3.089 -4.813 116 HA VAL 18 HA VAL 18 11.629 4.605 -2.473 117 HB VAL 18 HB VAL 18 13.484 3.218 -1.633 118 HG11 VAL 18 HG11 VAL 18 11.437 1.645 -3.180 119 HG12 VAL 18 HG12 VAL 18 11.162 2.403 -1.615 120 HG13 VAL 18 HG13 VAL 18 12.334 1.093 -1.766 121 HG21 VAL 18 HG21 VAL 18 13.648 2.366 -4.508 122 HG22 VAL 18 HG22 VAL 18 14.219 1.331 -3.194 123 HG23 VAL 18 HG23 VAL 18 14.943 2.919 -3.439 124 H LYS 19 H LYS 19 14.060 4.638 -5.063 125 HA LYS 19 HA LYS 19 15.814 6.404 -3.657 126 HB2 LYS 19 HB2 LYS 19 15.628 5.391 -6.469 127 HB3 LYS 19 HB3 LYS 19 16.662 6.776 -6.133 128 HG2 LYS 19 HG2 LYS 19 16.863 4.143 -4.692 129 HG3 LYS 19 HG3 LYS 19 17.823 4.575 -6.107 130 HD2 LYS 19 HD2 LYS 19 19.097 6.077 -4.956 131 HD3 LYS 19 HD3 LYS 19 17.804 6.466 -3.817 132 HE2 LYS 19 HE2 LYS 19 18.139 4.377 -2.658 133 HE3 LYS 19 HE3 LYS 19 19.331 3.865 -3.855 134 HZ1 LYS 19 HZ1 LYS 19 19.622 6.215 -2.058 135 HZ2 LYS 19 HZ2 LYS 19 20.779 5.647 -3.159 136 HZ3 LYS 19 HZ3 LYS 19 20.362 4.713 -1.819 137 H LYS 20 H LYS 20 13.046 6.840 -5.696 138 HA LYS 20 HA LYS 20 13.530 9.599 -6.281 139 HB2 LYS 20 HB2 LYS 20 12.082 7.897 -7.578 140 HB3 LYS 20 HB3 LYS 20 10.839 8.261 -6.391 141 HG2 LYS 20 HG2 LYS 20 10.389 9.631 -8.233 142 HG3 LYS 20 HG3 LYS 20 11.133 10.689 -7.027 143 HD2 LYS 20 HD2 LYS 20 13.216 10.669 -8.177 144 HD3 LYS 20 HD3 LYS 20 12.685 9.366 -9.243 145 HE2 LYS 20 HE2 LYS 20 10.925 10.903 -10.112 146 HE3 LYS 20 HE3 LYS 20 11.656 12.194 -9.163 147 HZ1 LYS 20 HZ1 LYS 20 12.784 10.767 -11.502 148 HZ2 LYS 20 HZ2 LYS 20 13.779 11.613 -10.431 149 HZ3 LYS 20 HZ3 LYS 20 12.573 12.432 -11.280 150 H ILE 21 H ILE 21 11.450 7.854 -3.995 151 HA ILE 21 HA ILE 21 10.345 10.270 -2.915 152 HB ILE 21 HB ILE 21 9.239 8.828 -1.281 153 HG12 ILE 21 HG12 ILE 21 10.608 6.479 -2.593 154 HG13 ILE 21 HG13 ILE 21 11.251 7.228 -1.138 155 HG21 ILE 21 HG21 ILE 21 9.221 7.996 -4.167 156 HG22 ILE 21 HG22 ILE 21 8.097 9.060 -3.322 157 HG23 ILE 21 HG23 ILE 21 8.087 7.324 -2.993 158 HD11 ILE 21 HD11 ILE 21 8.564 5.911 -1.444 159 HD12 ILE 21 HD12 ILE 21 9.134 6.730 0.010 160 HD13 ILE 21 HD13 ILE 21 9.962 5.285 -0.572 161 H GLY 22 H GLY 22 13.242 8.607 -2.411 162 HA2 GLY 22 HA2 GLY 22 15.007 9.287 -1.066 163 HA3 GLY 22 HA3 GLY 22 13.922 10.408 -0.256 164 H LEU 23 H LEU 23 13.378 6.949 -0.647 165 HA LEU 23 HA LEU 23 12.885 6.590 2.145 166 HB2 LEU 23 HB2 LEU 23 11.929 5.246 0.170 167 HB3 LEU 23 HB3 LEU 23 13.468 4.409 0.147 168 HG LEU 23 HG LEU 23 13.031 3.762 2.558 169 HD11 LEU 23 HD11 LEU 23 10.686 3.787 3.274 170 HD12 LEU 23 HD12 LEU 23 10.281 4.765 1.865 171 HD13 LEU 23 HD13 LEU 23 11.355 5.409 3.105 172 HD21 LEU 23 HD21 LEU 23 12.279 2.579 0.199 173 HD22 LEU 23 HD22 LEU 23 10.798 2.539 1.156 174 HD23 LEU 23 HD23 LEU 23 12.278 1.815 1.788 175 HA PRO 24 HA PRO 24 17.148 6.039 3.353 176 HB2 PRO 24 HB2 PRO 24 16.668 4.749 5.729 177 HB3 PRO 24 HB3 PRO 24 16.555 6.500 5.524 178 HG2 PRO 24 HG2 PRO 24 14.391 4.462 5.570 179 HG3 PRO 24 HG3 PRO 24 14.432 6.094 6.269 180 HD2 PRO 24 HD2 PRO 24 13.135 5.544 3.975 181 HD3 PRO 24 HD3 PRO 24 13.917 7.109 4.274 182 H ALA 25 H ALA 25 18.630 4.455 3.084 183 HA ALA 25 HA ALA 25 18.009 2.085 1.771 184 HB1 ALA 25 HB1 ALA 25 20.276 1.517 1.930 185 HB2 ALA 25 HB2 ALA 25 20.477 2.394 3.446 186 HB3 ALA 25 HB3 ALA 25 20.258 3.280 1.936 187 H ASP 26 H ASP 26 18.392 2.757 5.170 188 HA ASP 26 HA ASP 26 18.580 0.237 6.272 189 HB2 ASP 26 HB2 ASP 26 16.958 2.538 7.377 190 HB3 ASP 26 HB3 ASP 26 17.634 1.199 8.293 191 H LYS 27 H LYS 27 15.692 2.024 5.266 192 HA LYS 27 HA LYS 27 13.980 -0.178 6.095 193 HB2 LYS 27 HB2 LYS 27 13.167 2.400 4.758 194 HB3 LYS 27 HB3 LYS 27 12.115 1.246 5.559 195 HG2 LYS 27 HG2 LYS 27 14.264 2.834 6.947 196 HG3 LYS 27 HG3 LYS 27 12.559 3.280 6.894 197 HD2 LYS 27 HD2 LYS 27 11.976 1.181 8.028 198 HD3 LYS 27 HD3 LYS 27 13.685 0.742 8.087 199 HE2 LYS 27 HE2 LYS 27 14.104 2.814 9.408 200 HE3 LYS 27 HE3 LYS 27 12.362 3.086 9.452 201 HZ1 LYS 27 HZ1 LYS 27 13.088 2.023 11.474 202 HZ2 LYS 27 HZ2 LYS 27 13.806 0.760 10.612 203 HZ3 LYS 27 HZ3 LYS 27 12.129 0.938 10.602 204 H ILE 28 H ILE 28 15.333 1.232 3.219 205 HA ILE 28 HA ILE 28 13.632 0.161 1.277 206 HB ILE 28 HB ILE 28 16.606 0.717 1.136 207 HG12 ILE 28 HG12 ILE 28 14.234 2.246 0.042 208 HG13 ILE 28 HG13 ILE 28 15.173 2.701 1.460 209 HG21 ILE 28 HG21 ILE 28 14.691 0.007 -1.073 210 HG22 ILE 28 HG22 ILE 28 16.064 -0.947 -0.508 211 HG23 ILE 28 HG23 ILE 28 16.334 0.602 -1.307 212 HD11 ILE 28 HD11 ILE 28 15.909 4.032 -0.366 213 HD12 ILE 28 HD12 ILE 28 16.093 2.612 -1.395 214 HD13 ILE 28 HD13 ILE 28 17.178 2.853 -0.026 215 H GLU 29 H GLU 29 16.762 -1.100 2.428 216 HA GLU 29 HA GLU 29 16.543 -3.579 1.071 217 HB2 GLU 29 HB2 GLU 29 18.252 -2.903 3.468 218 HB3 GLU 29 HB3 GLU 29 18.497 -4.245 2.359 219 HG2 GLU 29 HG2 GLU 29 18.729 -1.314 1.730 220 HG3 GLU 29 HG3 GLU 29 20.044 -2.480 1.861 221 H MET 30 H MET 30 15.369 -2.439 4.094 222 HA MET 30 HA MET 30 14.970 -5.049 5.236 223 HB2 MET 30 HB2 MET 30 15.434 -2.957 6.559 224 HB3 MET 30 HB3 MET 30 13.814 -2.415 6.145 225 HG2 MET 30 HG2 MET 30 13.893 -3.372 8.368 226 HG3 MET 30 HG3 MET 30 12.859 -4.318 7.301 227 HE1 MET 30 HE1 MET 30 14.102 -7.758 7.592 228 HE2 MET 30 HE2 MET 30 13.398 -6.664 6.403 229 HE3 MET 30 HE3 MET 30 12.763 -6.705 8.047 230 H GLY 31 H GLY 31 13.164 -2.893 3.196 231 HA2 GLY 31 HA2 GLY 31 10.781 -4.583 3.642 232 HA3 GLY 31 HA3 GLY 31 10.714 -2.909 3.123 233 H ARG 32 H ARG 32 13.136 -4.922 1.681 234 HA ARG 32 HA ARG 32 11.531 -4.918 -0.781 235 HB2 ARG 32 HB2 ARG 32 13.583 -4.951 -2.055 236 HB3 ARG 32 HB3 ARG 32 13.633 -3.621 -0.907 237 HG2 ARG 32 HG2 ARG 32 15.239 -4.636 0.399 238 HG3 ARG 32 HG3 ARG 32 14.869 -6.245 -0.208 239 HD2 ARG 32 HD2 ARG 32 16.986 -5.501 -1.105 240 HD3 ARG 32 HD3 ARG 32 15.797 -5.617 -2.391 241 HE ARG 32 HE ARG 32 16.603 -3.058 -1.153 242 HH11 ARG 32 HH11 ARG 32 15.808 -5.038 -3.963 243 HH12 ARG 32 HH12 ARG 32 15.997 -3.665 -5.115 244 HH21 ARG 32 HH21 ARG 32 16.873 -1.310 -2.599 245 HH22 ARG 32 HH22 ARG 32 16.593 -1.595 -4.371 246 H ASN 33 H ASN 33 10.988 -6.745 -1.739 247 HA ASN 33 HA ASN 33 10.744 -8.946 -2.238 248 HB2 ASN 33 HB2 ASN 33 13.584 -8.765 -1.465 249 HB3 ASN 33 HB3 ASN 33 12.888 -10.377 -1.375 250 HD21 ASN 33 HD21 ASN 33 11.954 -7.878 -3.657 251 HD22 ASN 33 HD22 ASN 33 12.539 -8.688 -5.070 252 H CYS 34 H CYS 34 10.483 -7.747 0.666 253 HA CYS 34 HA CYS 34 10.506 -10.142 2.274 254 HB2 CYS 34 HB2 CYS 34 9.272 -7.507 3.062 255 HB3 CYS 34 HB3 CYS 34 9.987 -8.737 4.099 256 HG CYS 34 HG CYS 34 11.756 -6.685 4.270 257 H LYS 35 H LYS 35 8.566 -10.925 3.388 258 HA LYS 35 HA LYS 35 6.299 -10.895 1.570 259 HB2 LYS 35 HB2 LYS 35 5.471 -12.798 2.997 260 HB3 LYS 35 HB3 LYS 35 6.951 -13.087 2.098 261 HG2 LYS 35 HG2 LYS 35 8.278 -12.798 4.075 262 HG3 LYS 35 HG3 LYS 35 6.854 -12.330 5.012 263 HD2 LYS 35 HD2 LYS 35 5.921 -14.631 4.257 264 HD3 LYS 35 HD3 LYS 35 7.610 -15.015 3.928 265 HE2 LYS 35 HE2 LYS 35 8.162 -14.394 6.253 266 HE3 LYS 35 HE3 LYS 35 6.450 -14.118 6.557 267 HZ1 LYS 35 HZ1 LYS 35 5.985 -16.406 6.203 268 HZ2 LYS 35 HZ2 LYS 35 7.284 -16.328 7.283 269 HZ3 LYS 35 HZ3 LYS 35 7.557 -16.722 5.659 270 H ILE 36 H ILE 36 5.150 -9.101 1.936 271 HA ILE 36 HA ILE 36 4.217 -8.557 4.658 272 HB ILE 36 HB ILE 36 4.186 -6.872 2.149 273 HG12 ILE 36 HG12 ILE 36 5.380 -5.283 3.829 274 HG13 ILE 36 HG13 ILE 36 5.627 -6.738 4.782 275 HG21 ILE 36 HG21 ILE 36 2.969 -6.184 4.820 276 HG22 ILE 36 HG22 ILE 36 2.066 -6.596 3.362 277 HG23 ILE 36 HG23 ILE 36 3.052 -5.135 3.407 278 HD11 ILE 36 HD11 ILE 36 6.492 -6.504 1.922 279 HD12 ILE 36 HD12 ILE 36 6.955 -7.724 3.109 280 HD13 ILE 36 HD13 ILE 36 7.520 -6.061 3.283 281 H VAL 37 H VAL 37 2.252 -9.177 5.220 282 HA VAL 37 HA VAL 37 0.420 -10.132 3.150 283 HB VAL 37 HB VAL 37 -0.063 -10.344 6.107 284 HG11 VAL 37 HG11 VAL 37 -0.953 -11.986 3.749 285 HG12 VAL 37 HG12 VAL 37 -1.939 -10.891 4.715 286 HG13 VAL 37 HG13 VAL 37 -1.300 -12.370 5.436 287 HG21 VAL 37 HG21 VAL 37 2.205 -11.223 5.617 288 HG22 VAL 37 HG22 VAL 37 1.481 -12.346 4.465 289 HG23 VAL 37 HG23 VAL 37 1.082 -12.463 6.179 290 H THR 38 H THR 38 -1.361 -9.074 2.597 291 HA THR 38 HA THR 38 -2.140 -6.705 4.168 292 HB THR 38 HB THR 38 -2.700 -7.302 1.256 293 HG1 THR 38 HG1 THR 38 -0.502 -6.871 1.543 294 HG21 THR 38 HG21 THR 38 -4.364 -5.850 2.357 295 HG22 THR 38 HG22 THR 38 -3.442 -5.001 1.112 296 HG23 THR 38 HG23 THR 38 -3.067 -4.748 2.818 297 H GLU 39 H GLU 39 -3.797 -7.315 5.488 298 HA GLU 39 HA GLU 39 -5.800 -9.177 4.430 299 HB2 GLU 39 HB2 GLU 39 -5.519 -8.193 7.269 300 HB3 GLU 39 HB3 GLU 39 -6.495 -9.541 6.705 301 HG2 GLU 39 HG2 GLU 39 -4.098 -10.343 5.828 302 HG3 GLU 39 HG3 GLU 39 -3.596 -9.379 7.216 303 H VAL 40 H VAL 40 -7.428 -8.280 3.426 304 HA VAL 40 HA VAL 40 -8.376 -5.631 4.273 305 HB VAL 40 HB VAL 40 -8.945 -7.145 1.719 306 HG11 VAL 40 HG11 VAL 40 -9.510 -4.259 2.393 307 HG12 VAL 40 HG12 VAL 40 -10.705 -5.555 2.396 308 HG13 VAL 40 HG13 VAL 40 -9.903 -5.101 0.893 309 HG21 VAL 40 HG21 VAL 40 -7.401 -5.621 0.631 310 HG22 VAL 40 HG22 VAL 40 -6.581 -6.484 1.930 311 HG23 VAL 40 HG23 VAL 40 -7.081 -4.810 2.166 312 H VAL 41 H VAL 41 -10.270 -5.434 5.270 313 HA VAL 41 HA VAL 41 -12.201 -7.656 5.092 314 HB VAL 41 HB VAL 41 -11.896 -5.685 7.369 315 HG11 VAL 41 HG11 VAL 41 -13.756 -7.990 6.876 316 HG12 VAL 41 HG12 VAL 41 -14.147 -6.334 7.341 317 HG13 VAL 41 HG13 VAL 41 -13.399 -7.426 8.507 318 HG21 VAL 41 HG21 VAL 41 -10.005 -7.164 7.385 319 HG22 VAL 41 HG22 VAL 41 -11.038 -8.569 7.136 320 HG23 VAL 41 HG23 VAL 41 -11.114 -7.678 8.657 321 H GLN 42 H GLN 42 -14.172 -7.175 4.291 322 HA GLN 42 HA GLN 42 -14.619 -4.452 3.378 323 HB2 GLN 42 HB2 GLN 42 -14.927 -6.312 1.803 324 HB3 GLN 42 HB3 GLN 42 -16.182 -6.982 2.838 325 HG2 GLN 42 HG2 GLN 42 -17.570 -5.037 2.455 326 HG3 GLN 42 HG3 GLN 42 -16.304 -4.301 1.472 327 HE21 GLN 42 HE21 GLN 42 -17.658 -4.174 -0.319 328 HE22 GLN 42 HE22 GLN 42 -18.097 -5.569 -1.241 329 H ASN 43 H ASN 43 -15.787 -3.065 4.446 330 HA ASN 43 HA ASN 43 -18.102 -3.991 6.000 331 HB2 ASN 43 HB2 ASN 43 -16.141 -3.486 7.515 332 HB3 ASN 43 HB3 ASN 43 -16.204 -1.827 6.940 333 HD21 ASN 43 HD21 ASN 43 -17.828 -4.271 8.806 334 HD22 ASN 43 HD22 ASN 43 -18.911 -3.200 9.630 335 H GLY 44 H GLY 44 -19.101 -3.335 3.922 336 HA2 GLY 44 HA2 GLY 44 -20.508 -1.855 2.846 337 HA3 GLY 44 HA3 GLY 44 -20.147 -0.676 4.103 338 H ASN 45 H ASN 45 -18.735 0.920 3.699 339 HA ASN 45 HA ASN 45 -17.227 0.785 1.171 340 HB2 ASN 45 HB2 ASN 45 -19.021 2.846 2.184 341 HB3 ASN 45 HB3 ASN 45 -17.425 3.490 1.812 342 HD21 ASN 45 HD21 ASN 45 -18.976 0.768 0.227 343 HD22 ASN 45 HD22 ASN 45 -19.130 1.532 -1.321 344 H ASP 46 H ASP 46 -16.830 0.256 4.190 345 HA ASP 46 HA ASP 46 -14.398 1.858 4.570 346 HB2 ASP 46 HB2 ASP 46 -16.082 1.994 6.373 347 HB3 ASP 46 HB3 ASP 46 -15.995 0.249 6.577 348 H PHE 47 H PHE 47 -12.642 0.830 3.847 349 HA PHE 47 HA PHE 47 -12.471 -2.086 4.200 350 HB2 PHE 47 HB2 PHE 47 -11.118 -0.257 2.210 351 HB3 PHE 47 HB3 PHE 47 -10.733 -1.965 2.393 352 HD1 PHE 47 HD1 PHE 47 -12.323 -3.679 1.731 353 HD2 PHE 47 HD2 PHE 47 -13.169 0.453 1.148 354 HE1 PHE 47 HE1 PHE 47 -14.138 -4.272 0.185 355 HE2 PHE 47 HE2 PHE 47 -14.980 -0.137 -0.406 356 HZ PHE 47 HZ PHE 47 -15.468 -2.501 -0.890 357 H THR 48 H THR 48 -10.844 -2.935 5.363 358 HA THR 48 HA THR 48 -9.026 -1.037 6.649 359 HB THR 48 HB THR 48 -8.586 -3.185 8.104 360 HG1 THR 48 HG1 THR 48 -10.241 -4.641 8.110 361 HG21 THR 48 HG21 THR 48 -9.578 -1.094 8.913 362 HG22 THR 48 HG22 THR 48 -10.379 -2.499 9.616 363 HG23 THR 48 HG23 THR 48 -11.152 -1.604 8.306 364 H TRP 49 H TRP 49 -6.975 -0.963 6.041 365 HA TRP 49 HA TRP 49 -5.890 -3.165 4.433 366 HB2 TRP 49 HB2 TRP 49 -5.683 -0.327 4.264 367 HB3 TRP 49 HB3 TRP 49 -4.079 -0.956 4.626 368 HD1 TRP 49 HD1 TRP 49 -2.721 -1.459 2.538 369 HE1 TRP 49 HE1 TRP 49 -3.225 -2.159 0.105 370 HE3 TRP 49 HE3 TRP 49 -7.822 -1.792 2.822 371 HZ2 TRP 49 HZ2 TRP 49 -5.477 -2.761 -1.467 372 HZ3 TRP 49 HZ3 TRP 49 -9.071 -2.429 0.801 373 HH2 TRP 49 HH2 TRP 49 -7.918 -2.905 -1.295 374 H THR 50 H THR 50 -5.092 -4.663 5.765 375 HA THR 50 HA THR 50 -3.473 -3.786 8.051 376 HB THR 50 HB THR 50 -4.413 -6.600 7.584 377 HG1 THR 50 HG1 THR 50 -6.339 -5.580 7.653 378 HG21 THR 50 HG21 THR 50 -3.714 -5.031 10.065 379 HG22 THR 50 HG22 THR 50 -2.693 -6.235 9.278 380 HG23 THR 50 HG23 THR 50 -4.212 -6.722 10.028 381 H GLN 51 H GLN 51 -1.388 -3.652 7.558 382 HA GLN 51 HA GLN 51 -0.230 -5.615 5.708 383 HB2 GLN 51 HB2 GLN 51 0.430 -2.837 6.490 384 HB3 GLN 51 HB3 GLN 51 1.798 -3.904 6.205 385 HG2 GLN 51 HG2 GLN 51 1.360 -2.791 4.176 386 HG3 GLN 51 HG3 GLN 51 0.792 -4.449 3.981 387 HE21 GLN 51 HE21 GLN 51 -0.663 -4.018 2.399 388 HE22 GLN 51 HE22 GLN 51 -2.092 -3.080 2.644 389 H HIS 52 H HIS 52 0.753 -7.300 6.552 390 HA HIS 52 HA HIS 52 1.772 -7.144 9.296 391 HB2 HIS 52 HB2 HIS 52 1.117 -9.509 7.532 392 HB3 HIS 52 HB3 HIS 52 1.852 -9.656 9.119 393 HD2 HIS 52 HD2 HIS 52 -1.501 -9.911 7.638 394 HE1 HIS 52 HE1 HIS 52 -2.123 -8.535 11.589 395 HE2 HIS 52 HE2 HIS 52 -3.163 -9.773 9.627 396 H PHE 53 H PHE 53 3.852 -7.014 9.669 397 HA PHE 53 HA PHE 53 5.667 -7.609 7.443 398 HB2 PHE 53 HB2 PHE 53 5.656 -5.335 8.762 399 HB3 PHE 53 HB3 PHE 53 6.553 -6.252 9.965 400 HD1 PHE 53 HD1 PHE 53 6.552 -5.926 6.268 401 HD2 PHE 53 HD2 PHE 53 8.800 -5.996 9.857 402 HE1 PHE 53 HE1 PHE 53 8.625 -5.592 4.973 403 HE2 PHE 53 HE2 PHE 53 10.876 -5.662 8.590 404 HZ PHE 53 HZ PHE 53 10.790 -5.461 6.139 405 HA PRO 54 HA PRO 54 6.848 -11.279 9.608 406 HB2 PRO 54 HB2 PRO 54 9.129 -11.820 8.223 407 HB3 PRO 54 HB3 PRO 54 7.513 -12.111 7.545 408 HG2 PRO 54 HG2 PRO 54 9.392 -9.853 7.058 409 HG3 PRO 54 HG3 PRO 54 8.348 -10.729 5.919 410 HD2 PRO 54 HD2 PRO 54 7.718 -8.293 6.941 411 HD3 PRO 54 HD3 PRO 54 6.495 -9.490 6.463 412 H GLY 55 H GLY 55 7.557 -10.990 11.639 413 HA2 GLY 55 HA2 GLY 55 9.012 -10.668 13.378 414 HA3 GLY 55 HA3 GLY 55 10.308 -10.659 12.198 415 H GLY 56 H GLY 56 7.669 -8.338 12.061 416 HA2 GLY 56 HA2 GLY 56 9.333 -6.298 13.342 417 HA3 GLY 56 HA3 GLY 56 8.934 -6.055 11.657 418 H ARG 57 H ARG 57 8.002 -4.057 12.564 419 HA ARG 57 HA ARG 57 5.675 -4.197 14.196 420 HB2 ARG 57 HB2 ARG 57 5.394 -1.767 13.478 421 HB3 ARG 57 HB3 ARG 57 6.860 -2.175 14.349 422 HG2 ARG 57 HG2 ARG 57 7.549 -0.731 12.658 423 HG3 ARG 57 HG3 ARG 57 7.986 -2.333 12.085 424 HD2 ARG 57 HD2 ARG 57 5.495 -2.056 11.030 425 HD3 ARG 57 HD3 ARG 57 6.091 -0.392 10.972 426 HE ARG 57 HE ARG 57 8.136 -1.502 9.889 427 HH11 ARG 57 HH11 ARG 57 4.782 -2.485 9.474 428 HH12 ARG 57 HH12 ARG 57 5.081 -3.220 7.861 429 HH21 ARG 57 HH21 ARG 57 8.555 -2.493 7.880 430 HH22 ARG 57 HH22 ARG 57 7.187 -3.213 6.962 431 H THR 58 H THR 58 3.535 -3.856 13.640 432 HA THR 58 HA THR 58 2.897 -4.596 10.884 433 HB THR 58 HB THR 58 1.917 -5.923 12.745 434 HG1 THR 58 HG1 THR 58 0.387 -6.264 11.344 435 HG21 THR 58 HG21 THR 58 0.468 -3.350 13.352 436 HG22 THR 58 HG22 THR 58 1.534 -4.256 14.426 437 HG23 THR 58 HG23 THR 58 -0.029 -4.928 13.956 438 H THR 59 H THR 59 1.183 -3.453 9.776 439 HA THR 59 HA THR 59 0.763 -0.702 10.717 440 HB THR 59 HB THR 59 1.336 -1.303 7.817 441 HG1 THR 59 HG1 THR 59 3.180 -0.509 9.848 442 HG21 THR 59 HG21 THR 59 1.855 1.103 7.754 443 HG22 THR 59 HG22 THR 59 1.484 1.223 9.477 444 HG23 THR 59 HG23 THR 59 0.210 0.812 8.329 445 H THR 60 H THR 60 -1.362 -0.640 11.050 446 HA THR 60 HA THR 60 -3.120 -1.796 8.992 447 HB THR 60 HB THR 60 -3.868 -1.547 11.895 448 HG1 THR 60 HG1 THR 60 -2.361 -3.531 10.576 449 HG21 THR 60 HG21 THR 60 -4.890 -3.315 9.672 450 HG22 THR 60 HG22 THR 60 -5.683 -1.854 10.263 451 HG23 THR 60 HG23 THR 60 -5.510 -3.255 11.321 452 H ASN 61 H ASN 61 -4.279 -0.314 7.959 453 HA ASN 61 HA ASN 61 -5.118 2.095 9.451 454 HB2 ASN 61 HB2 ASN 61 -4.250 1.960 6.549 455 HB3 ASN 61 HB3 ASN 61 -5.011 3.357 7.293 456 HD21 ASN 61 HD21 ASN 61 -3.446 2.735 9.824 457 HD22 ASN 61 HD22 ASN 61 -1.869 3.363 9.494 458 H SER 62 H SER 62 -7.210 2.550 9.398 459 HA SER 62 HA SER 62 -8.910 0.913 7.645 460 HB2 SER 62 HB2 SER 62 -10.683 1.349 9.315 461 HB3 SER 62 HB3 SER 62 -9.270 0.587 10.043 462 HG SER 62 HG SER 62 -9.383 3.378 10.014 463 H PHE 63 H PHE 63 -9.945 1.943 6.010 464 HA PHE 63 HA PHE 63 -10.415 4.822 6.311 465 HB2 PHE 63 HB2 PHE 63 -9.654 5.245 4.017 466 HB3 PHE 63 HB3 PHE 63 -8.358 4.605 5.020 467 HD1 PHE 63 HD1 PHE 63 -7.518 2.342 4.672 468 HD2 PHE 63 HD2 PHE 63 -10.527 4.003 2.168 469 HE1 PHE 63 HE1 PHE 63 -7.107 0.575 3.009 470 HE2 PHE 63 HE2 PHE 63 -10.131 2.242 0.506 471 HZ PHE 63 HZ PHE 63 -8.415 0.523 0.920 472 H THR 64 H THR 64 -12.167 5.657 5.311 473 HA THR 64 HA THR 64 -13.991 3.708 4.080 474 HB THR 64 HB THR 64 -14.540 6.203 5.690 475 HG1 THR 64 HG1 THR 64 -14.303 3.667 6.365 476 HG21 THR 64 HG21 THR 64 -16.515 4.516 4.146 477 HG22 THR 64 HG22 THR 64 -16.098 6.200 3.829 478 HG23 THR 64 HG23 THR 64 -16.941 5.766 5.316 479 H ILE 65 H ILE 65 -14.685 4.085 2.025 480 HA ILE 65 HA ILE 65 -13.390 5.933 0.389 481 HB ILE 65 HB ILE 65 -16.076 4.658 -0.100 482 HG12 ILE 65 HG12 ILE 65 -14.373 2.977 0.371 483 HG13 ILE 65 HG13 ILE 65 -14.800 2.945 -1.336 484 HG21 ILE 65 HG21 ILE 65 -15.815 5.150 -2.382 485 HG22 ILE 65 HG22 ILE 65 -14.121 5.586 -2.178 486 HG23 ILE 65 HG23 ILE 65 -15.386 6.639 -1.539 487 HD11 ILE 65 HD11 ILE 65 -12.341 4.195 -0.137 488 HD12 ILE 65 HD12 ILE 65 -12.779 4.235 -1.848 489 HD13 ILE 65 HD13 ILE 65 -12.422 2.695 -1.064 490 H ASP 66 H ASP 66 -13.659 7.987 -0.042 491 HA ASP 66 HA ASP 66 -14.482 10.087 -0.229 492 HB2 ASP 66 HB2 ASP 66 -16.659 8.812 -0.927 493 HB3 ASP 66 HB3 ASP 66 -17.224 9.258 0.682 494 H LYS 67 H LYS 67 -13.642 8.670 2.287 495 HA LYS 67 HA LYS 67 -14.424 10.808 4.139 496 HB2 LYS 67 HB2 LYS 67 -15.803 8.970 4.791 497 HB3 LYS 67 HB3 LYS 67 -14.467 7.842 4.653 498 HG2 LYS 67 HG2 LYS 67 -14.873 8.176 6.947 499 HG3 LYS 67 HG3 LYS 67 -13.380 9.027 6.567 500 HD2 LYS 67 HD2 LYS 67 -14.802 11.117 6.334 501 HD3 LYS 67 HD3 LYS 67 -16.115 10.188 7.061 502 HE2 LYS 67 HE2 LYS 67 -14.444 9.656 8.928 503 HE3 LYS 67 HE3 LYS 67 -13.486 10.974 8.262 504 HZ1 LYS 67 HZ1 LYS 67 -16.137 11.092 9.535 505 HZ2 LYS 67 HZ2 LYS 67 -15.649 12.310 8.468 506 HZ3 LYS 67 HZ3 LYS 67 -14.755 12.007 9.869 507 H GLU 68 H GLU 68 -12.806 11.487 5.531 508 HA GLU 68 HA GLU 68 -10.123 10.893 4.806 509 HB2 GLU 68 HB2 GLU 68 -9.473 12.366 6.628 510 HB3 GLU 68 HB3 GLU 68 -10.800 13.089 5.734 511 HG2 GLU 68 HG2 GLU 68 -12.160 13.073 7.507 512 HG3 GLU 68 HG3 GLU 68 -11.667 11.450 7.981 513 H ALA 69 H ALA 69 -8.560 9.721 5.955 514 HA ALA 69 HA ALA 69 -9.539 8.105 8.200 515 HB1 ALA 69 HB1 ALA 69 -8.606 6.088 7.255 516 HB2 ALA 69 HB2 ALA 69 -8.037 6.981 5.842 517 HB3 ALA 69 HB3 ALA 69 -9.766 6.795 6.129 518 H ASP 70 H ASP 70 -7.980 7.369 9.622 519 HA ASP 70 HA ASP 70 -5.569 8.968 9.703 520 HB2 ASP 70 HB2 ASP 70 -6.347 6.772 11.633 521 HB3 ASP 70 HB3 ASP 70 -5.253 8.121 11.917 522 H MET 71 H MET 71 -3.783 8.337 8.730 523 HA MET 71 HA MET 71 -3.421 5.459 8.266 524 HB2 MET 71 HB2 MET 71 -2.567 7.733 6.485 525 HB3 MET 71 HB3 MET 71 -2.312 6.020 6.170 526 HG2 MET 71 HG2 MET 71 -4.526 5.640 5.717 527 HG3 MET 71 HG3 MET 71 -5.065 7.048 6.627 528 HE1 MET 71 HE1 MET 71 -6.447 6.508 4.305 529 HE2 MET 71 HE2 MET 71 -6.284 7.732 3.045 530 HE3 MET 71 HE3 MET 71 -6.650 8.213 4.706 531 H GLU 72 H GLU 72 -1.177 4.836 7.845 532 HA GLU 72 HA GLU 72 0.936 6.497 8.884 533 HB2 GLU 72 HB2 GLU 72 0.228 5.658 10.997 534 HB3 GLU 72 HB3 GLU 72 -0.054 4.053 10.353 535 HG2 GLU 72 HG2 GLU 72 2.059 3.428 10.684 536 HG3 GLU 72 HG3 GLU 72 2.708 4.940 10.066 537 H THR 73 H THR 73 2.972 5.723 8.226 538 HA THR 73 HA THR 73 2.810 3.578 6.240 539 HB THR 73 HB THR 73 4.731 4.480 5.187 540 HG1 THR 73 HG1 THR 73 6.208 5.645 6.212 541 HG21 THR 73 HG21 THR 73 2.513 5.880 5.189 542 HG22 THR 73 HG22 THR 73 3.983 6.555 4.487 543 HG23 THR 73 HG23 THR 73 3.483 7.035 6.098 544 H MET 74 H MET 74 4.854 2.252 6.066 545 HA MET 74 HA MET 74 5.348 0.941 8.522 546 HB2 MET 74 HB2 MET 74 6.748 0.726 5.853 547 HB3 MET 74 HB3 MET 74 6.986 -0.377 7.200 548 HG2 MET 74 HG2 MET 74 4.506 -0.851 7.064 549 HG3 MET 74 HG3 MET 74 4.526 0.011 5.524 550 HE1 MET 74 HE1 MET 74 3.586 -2.504 4.327 551 HE2 MET 74 HE2 MET 74 3.514 -2.816 6.062 552 HE3 MET 74 HE3 MET 74 4.296 -3.976 4.991 553 H GLY 75 H GLY 75 6.696 3.704 7.084 554 HA2 GLY 75 HA2 GLY 75 9.307 3.445 8.321 555 HA3 GLY 75 HA3 GLY 75 8.720 4.808 7.377 556 H GLY 76 H GLY 76 6.224 4.461 9.272 557 HA2 GLY 76 HA2 GLY 76 5.700 5.069 11.493 558 HA3 GLY 76 HA3 GLY 76 7.349 5.634 11.704 559 H ARG 77 H ARG 77 4.770 6.416 9.366 560 HA ARG 77 HA ARG 77 5.158 9.250 10.077 561 HB2 ARG 77 HB2 ARG 77 3.991 8.255 7.485 562 HB3 ARG 77 HB3 ARG 77 4.525 9.879 7.871 563 HG2 ARG 77 HG2 ARG 77 6.818 9.160 7.894 564 HG3 ARG 77 HG3 ARG 77 6.339 7.486 7.648 565 HD2 ARG 77 HD2 ARG 77 6.657 7.929 5.481 566 HD3 ARG 77 HD3 ARG 77 5.095 8.721 5.575 567 HE ARG 77 HE ARG 77 6.259 10.821 5.831 568 HH11 ARG 77 HH11 ARG 77 8.185 8.065 4.777 569 HH12 ARG 77 HH12 ARG 77 9.427 9.104 3.994 570 HH21 ARG 77 HH21 ARG 77 7.813 12.162 4.865 571 HH22 ARG 77 HH22 ARG 77 9.229 11.400 4.050 572 H LYS 78 H LYS 78 3.517 10.132 11.143 573 HA LYS 78 HA LYS 78 0.912 8.814 11.136 574 HB2 LYS 78 HB2 LYS 78 1.692 11.253 12.738 575 HB3 LYS 78 HB3 LYS 78 0.416 10.092 13.082 576 HG2 LYS 78 HG2 LYS 78 3.326 9.356 13.111 577 HG3 LYS 78 HG3 LYS 78 2.481 9.985 14.524 578 HD2 LYS 78 HD2 LYS 78 0.873 8.128 14.363 579 HD3 LYS 78 HD3 LYS 78 1.768 7.493 12.981 580 HE2 LYS 78 HE2 LYS 78 3.737 7.191 14.372 581 HE3 LYS 78 HE3 LYS 78 2.891 7.881 15.755 582 HZ1 LYS 78 HZ1 LYS 78 1.383 6.048 15.759 583 HZ2 LYS 78 HZ2 LYS 78 2.954 5.424 15.738 584 HZ3 LYS 78 HZ3 LYS 78 2.026 5.428 14.319 585 H PHE 79 H PHE 79 -0.664 9.531 9.808 586 HA PHE 79 HA PHE 79 -1.080 12.344 9.344 587 HB2 PHE 79 HB2 PHE 79 -0.773 12.271 6.907 588 HB3 PHE 79 HB3 PHE 79 0.728 11.887 7.742 589 HD1 PHE 79 HD1 PHE 79 1.498 9.548 7.871 590 HD2 PHE 79 HD2 PHE 79 -1.803 10.702 5.453 591 HE1 PHE 79 HE1 PHE 79 1.679 7.438 6.633 592 HE2 PHE 79 HE2 PHE 79 -1.633 8.592 4.204 593 HZ PHE 79 HZ PHE 79 0.108 6.953 4.795 594 H LYS 80 H LYS 80 -2.802 12.582 7.508 595 HA LYS 80 HA LYS 80 -4.728 10.389 7.535 596 HB2 LYS 80 HB2 LYS 80 -5.280 13.206 8.482 597 HB3 LYS 80 HB3 LYS 80 -6.547 12.063 8.051 598 HG2 LYS 80 HG2 LYS 80 -6.376 10.982 9.993 599 HG3 LYS 80 HG3 LYS 80 -4.615 10.963 9.928 600 HD2 LYS 80 HD2 LYS 80 -5.209 12.228 11.844 601 HD3 LYS 80 HD3 LYS 80 -4.666 13.381 10.620 602 HE2 LYS 80 HE2 LYS 80 -6.672 14.185 11.742 603 HE3 LYS 80 HE3 LYS 80 -6.988 13.862 10.039 604 HZ1 LYS 80 HZ1 LYS 80 -8.405 12.903 12.183 605 HZ2 LYS 80 HZ2 LYS 80 -7.515 11.563 11.641 606 HZ3 LYS 80 HZ3 LYS 80 -8.543 12.396 10.573 607 H ALA 81 H ALA 81 -5.976 10.298 5.725 608 HA ALA 81 HA ALA 81 -5.862 12.484 3.808 609 HB1 ALA 81 HB1 ALA 81 -3.889 10.977 3.404 610 HB2 ALA 81 HB2 ALA 81 -4.964 11.223 2.029 611 HB3 ALA 81 HB3 ALA 81 -5.047 9.724 2.955 612 H THR 82 H THR 82 -7.294 12.130 1.956 613 HA THR 82 HA THR 82 -9.682 10.630 2.781 614 HB THR 82 HB THR 82 -9.684 12.567 0.491 615 HG1 THR 82 HG1 THR 82 -8.880 13.238 2.923 616 HG21 THR 82 HG21 THR 82 -11.685 11.200 1.002 617 HG22 THR 82 HG22 THR 82 -11.983 12.930 1.194 618 HG23 THR 82 HG23 THR 82 -11.736 11.914 2.613 619 H VAL 83 H VAL 83 -10.364 8.896 1.657 620 HA VAL 83 HA VAL 83 -8.902 8.204 -0.811 621 HB VAL 83 HB VAL 83 -10.345 6.293 1.029 622 HG11 VAL 83 HG11 VAL 83 -10.029 5.499 -1.248 623 HG12 VAL 83 HG12 VAL 83 -9.021 4.595 -0.116 624 HG13 VAL 83 HG13 VAL 83 -8.302 5.840 -1.136 625 HG21 VAL 83 HG21 VAL 83 -8.559 7.296 2.299 626 HG22 VAL 83 HG22 VAL 83 -7.422 7.023 0.983 627 HG23 VAL 83 HG23 VAL 83 -8.106 5.650 1.856 628 H LYS 84 H LYS 84 -10.054 7.493 -2.603 629 HA LYS 84 HA LYS 84 -12.983 7.477 -2.406 630 HB2 LYS 84 HB2 LYS 84 -13.117 8.750 -4.547 631 HB3 LYS 84 HB3 LYS 84 -12.458 9.692 -3.217 632 HG2 LYS 84 HG2 LYS 84 -10.167 8.858 -4.198 633 HG3 LYS 84 HG3 LYS 84 -11.123 8.659 -5.662 634 HD2 LYS 84 HD2 LYS 84 -11.865 11.043 -5.371 635 HD3 LYS 84 HD3 LYS 84 -10.666 11.184 -4.083 636 HE2 LYS 84 HE2 LYS 84 -9.515 11.973 -5.938 637 HE3 LYS 84 HE3 LYS 84 -9.010 10.284 -5.856 638 HZ1 LYS 84 HZ1 LYS 84 -9.539 10.723 -8.091 639 HZ2 LYS 84 HZ2 LYS 84 -10.990 11.495 -7.694 640 HZ3 LYS 84 HZ3 LYS 84 -10.845 9.821 -7.490 641 H MET 85 H MET 85 -13.836 6.708 -4.738 642 HA MET 85 HA MET 85 -12.101 4.505 -5.624 643 HB2 MET 85 HB2 MET 85 -14.645 4.349 -4.303 644 HB3 MET 85 HB3 MET 85 -14.792 3.702 -5.926 645 HG2 MET 85 HG2 MET 85 -12.898 2.193 -5.470 646 HG3 MET 85 HG3 MET 85 -12.830 2.823 -3.824 647 HE1 MET 85 HE1 MET 85 -14.359 -0.471 -2.717 648 HE2 MET 85 HE2 MET 85 -13.462 0.945 -2.171 649 HE3 MET 85 HE3 MET 85 -12.879 0.005 -3.550 650 H GLU 86 H GLU 86 -11.895 4.278 -7.771 651 HA GLU 86 HA GLU 86 -13.702 5.859 -9.491 652 HB2 GLU 86 HB2 GLU 86 -10.988 5.053 -10.438 653 HB3 GLU 86 HB3 GLU 86 -11.954 6.449 -10.883 654 HG2 GLU 86 HG2 GLU 86 -10.873 6.252 -8.121 655 HG3 GLU 86 HG3 GLU 86 -9.799 6.704 -9.442 656 H GLY 87 H GLY 87 -15.110 4.008 -9.605 657 HA2 GLY 87 HA2 GLY 87 -15.985 2.257 -10.792 658 HA3 GLY 87 HA3 GLY 87 -14.636 2.422 -11.902 659 H GLY 88 H GLY 88 -15.000 1.454 -8.494 660 HA2 GLY 88 HA2 GLY 88 -14.442 -0.528 -7.451 661 HA3 GLY 88 HA3 GLY 88 -14.211 -1.246 -9.037 662 H LYS 89 H LYS 89 -12.508 1.644 -8.304 663 HA LYS 89 HA LYS 89 -10.064 0.138 -7.678 664 HB2 LYS 89 HB2 LYS 89 -10.147 2.541 -9.509 665 HB3 LYS 89 HB3 LYS 89 -8.763 1.516 -9.157 666 HG2 LYS 89 HG2 LYS 89 -10.104 -0.378 -10.209 667 HG3 LYS 89 HG3 LYS 89 -11.184 0.878 -10.815 668 HD2 LYS 89 HD2 LYS 89 -9.236 1.966 -11.895 669 HD3 LYS 89 HD3 LYS 89 -8.227 0.620 -11.361 670 HE2 LYS 89 HE2 LYS 89 -9.949 -0.857 -12.596 671 HE3 LYS 89 HE3 LYS 89 -10.439 0.644 -13.385 672 HZ1 LYS 89 HZ1 LYS 89 -7.698 -0.511 -13.396 673 HZ2 LYS 89 HZ2 LYS 89 -8.168 0.931 -14.148 674 HZ3 LYS 89 HZ3 LYS 89 -8.798 -0.541 -14.688 675 H ILE 90 H ILE 90 -9.513 0.719 -5.696 676 HA ILE 90 HA ILE 90 -10.369 3.166 -4.493 677 HB ILE 90 HB ILE 90 -8.181 1.422 -3.382 678 HG12 ILE 90 HG12 ILE 90 -11.124 0.870 -3.580 679 HG13 ILE 90 HG13 ILE 90 -9.776 -0.239 -3.782 680 HG21 ILE 90 HG21 ILE 90 -9.072 2.172 -1.243 681 HG22 ILE 90 HG22 ILE 90 -10.321 3.095 -2.083 682 HG23 ILE 90 HG23 ILE 90 -8.623 3.538 -2.267 683 HD11 ILE 90 HD11 ILE 90 -9.376 -0.085 -1.332 684 HD12 ILE 90 HD12 ILE 90 -10.925 -0.800 -1.774 685 HD13 ILE 90 HD13 ILE 90 -10.857 0.869 -1.201 686 H VAL 91 H VAL 91 -9.440 5.095 -4.688 687 HA VAL 91 HA VAL 91 -6.552 5.192 -5.229 688 HB VAL 91 HB VAL 91 -7.758 5.817 -7.254 689 HG11 VAL 91 HG11 VAL 91 -8.985 8.047 -5.670 690 HG12 VAL 91 HG12 VAL 91 -9.823 6.563 -6.115 691 HG13 VAL 91 HG13 VAL 91 -9.259 7.669 -7.369 692 HG21 VAL 91 HG21 VAL 91 -6.768 8.036 -7.631 693 HG22 VAL 91 HG22 VAL 91 -5.649 6.969 -6.785 694 HG23 VAL 91 HG23 VAL 91 -6.522 8.214 -5.895 695 H ALA 92 H ALA 92 -5.385 6.539 -4.029 696 HA ALA 92 HA ALA 92 -6.827 8.197 -2.061 697 HB1 ALA 92 HB1 ALA 92 -5.613 6.224 -1.136 698 HB2 ALA 92 HB2 ALA 92 -5.092 7.777 -0.482 699 HB3 ALA 92 HB3 ALA 92 -4.109 6.958 -1.696 700 H ASP 93 H ASP 93 -6.322 10.299 -1.933 701 HA ASP 93 HA ASP 93 -4.457 11.342 -3.914 702 HB2 ASP 93 HB2 ASP 93 -6.622 12.356 -3.918 703 HB3 ASP 93 HB3 ASP 93 -6.537 12.676 -2.187 704 H PHE 94 H PHE 94 -2.515 11.934 -3.448 705 HA PHE 94 HA PHE 94 -1.875 13.015 -0.803 706 HB2 PHE 94 HB2 PHE 94 -0.527 10.701 -2.175 707 HB3 PHE 94 HB3 PHE 94 0.291 11.650 -0.940 708 HD1 PHE 94 HD1 PHE 94 -0.640 11.700 1.363 709 HD2 PHE 94 HD2 PHE 94 -2.092 9.048 -1.629 710 HE1 PHE 94 HE1 PHE 94 -1.664 10.303 3.102 711 HE2 PHE 94 HE2 PHE 94 -3.122 7.651 0.113 712 HZ PHE 94 HZ PHE 94 -2.904 8.275 2.476 713 HA PRO 95 HA PRO 95 0.449 15.952 -3.150 714 HB2 PRO 95 HB2 PRO 95 2.626 16.368 -1.526 715 HB3 PRO 95 HB3 PRO 95 1.020 17.062 -1.228 716 HG2 PRO 95 HG2 PRO 95 2.315 14.694 0.016 717 HG3 PRO 95 HG3 PRO 95 1.287 15.939 0.750 718 HD2 PRO 95 HD2 PRO 95 0.356 13.484 0.113 719 HD3 PRO 95 HD3 PRO 95 -0.658 14.938 0.063 720 H ASN 96 H ASN 96 1.302 15.197 -4.976 721 HA ASN 96 HA ASN 96 2.755 14.340 -6.488 722 HB2 ASN 96 HB2 ASN 96 4.341 15.740 -4.967 723 HB3 ASN 96 HB3 ASN 96 4.890 14.173 -4.381 724 HD21 ASN 96 HD21 ASN 96 4.444 16.090 -7.305 725 HD22 ASN 96 HD22 ASN 96 5.747 15.375 -8.183 726 H TYR 97 H TYR 97 1.227 12.634 -4.513 727 HA TYR 97 HA TYR 97 2.538 10.101 -5.218 728 HB2 TYR 97 HB2 TYR 97 3.037 10.785 -2.810 729 HB3 TYR 97 HB3 TYR 97 1.323 10.586 -2.488 730 HD1 TYR 97 HD1 TYR 97 0.422 8.154 -3.425 731 HD2 TYR 97 HD2 TYR 97 4.384 9.062 -2.168 732 HE1 TYR 97 HE1 TYR 97 0.807 5.773 -2.943 733 HE2 TYR 97 HE2 TYR 97 4.775 6.688 -1.671 734 HH TYR 97 HH TYR 97 2.538 4.203 -2.619 735 H HIS 98 H HIS 98 1.180 8.785 -6.161 736 HA HIS 98 HA HIS 98 -1.708 9.141 -5.724 737 HB2 HIS 98 HB2 HIS 98 -0.283 9.534 -8.121 738 HB3 HIS 98 HB3 HIS 98 -1.105 7.991 -8.310 739 HD1 HIS 98 HD1 HIS 98 -2.194 11.369 -6.898 740 HD2 HIS 98 HD2 HIS 98 -3.422 8.436 -9.579 741 HE1 HIS 98 HE1 HIS 98 -4.405 12.154 -7.794 742 HE2 HIS 98 HE2 HIS 98 -5.046 10.450 -9.533 743 H HIS 99 H HIS 99 -2.386 7.419 -4.608 744 HA HIS 99 HA HIS 99 -1.185 4.792 -5.189 745 HB2 HIS 99 HB2 HIS 99 -1.241 5.865 -2.801 746 HB3 HIS 99 HB3 HIS 99 -2.924 5.355 -2.806 747 HD2 HIS 99 HD2 HIS 99 -2.992 2.411 -3.619 748 HE1 HIS 99 HE1 HIS 99 0.403 1.810 -1.170 749 HE2 HIS 99 HE2 HIS 99 -1.637 0.706 -2.194 750 H THR 100 H THR 100 -2.366 3.445 -6.384 751 HA THR 100 HA THR 100 -5.301 3.595 -6.179 752 HB THR 100 HB THR 100 -5.400 2.941 -8.605 753 HG1 THR 100 HG1 THR 100 -3.189 2.267 -8.788 754 HG21 THR 100 HG21 THR 100 -4.221 5.600 -7.837 755 HG22 THR 100 HG22 THR 100 -5.921 5.196 -8.083 756 HG23 THR 100 HG23 THR 100 -4.815 5.245 -9.457 757 H ALA 101 H ALA 101 -6.293 1.696 -5.853 758 HA ALA 101 HA ALA 101 -4.713 -0.770 -6.209 759 HB1 ALA 101 HB1 ALA 101 -6.834 -0.502 -4.108 760 HB2 ALA 101 HB2 ALA 101 -5.192 0.059 -3.808 761 HB3 ALA 101 HB3 ALA 101 -5.485 -1.636 -4.191 762 H GLU 102 H GLU 102 -5.604 -2.279 -7.481 763 HA GLU 102 HA GLU 102 -8.501 -2.415 -7.745 764 HB2 GLU 102 HB2 GLU 102 -8.405 -2.427 -10.195 765 HB3 GLU 102 HB3 GLU 102 -7.856 -0.895 -9.526 766 HG2 GLU 102 HG2 GLU 102 -5.493 -1.880 -9.762 767 HG3 GLU 102 HG3 GLU 102 -6.248 -3.061 -10.820 768 H ILE 103 H ILE 103 -9.055 -4.310 -9.282 769 HA ILE 103 HA ILE 103 -7.283 -6.548 -8.595 770 HB ILE 103 HB ILE 103 -10.263 -6.660 -9.097 771 HG12 ILE 103 HG12 ILE 103 -9.755 -5.551 -6.961 772 HG13 ILE 103 HG13 ILE 103 -10.491 -7.128 -6.695 773 HG21 ILE 103 HG21 ILE 103 -10.034 -8.986 -8.235 774 HG22 ILE 103 HG22 ILE 103 -8.284 -8.781 -8.302 775 HG23 ILE 103 HG23 ILE 103 -9.240 -8.697 -9.782 776 HD11 ILE 103 HD11 ILE 103 -7.606 -6.362 -6.369 777 HD12 ILE 103 HD12 ILE 103 -8.181 -8.028 -6.341 778 HD13 ILE 103 HD13 ILE 103 -8.744 -6.882 -5.126 779 H SER 104 H SER 104 -6.149 -7.099 -10.301 780 HA SER 104 HA SER 104 -7.479 -7.115 -12.926 781 HB2 SER 104 HB2 SER 104 -4.605 -6.534 -12.203 782 HB3 SER 104 HB3 SER 104 -5.180 -6.726 -13.859 783 HG SER 104 HG SER 104 -5.055 -4.516 -12.804 784 H GLY 105 H GLY 105 -8.025 -9.190 -13.281 785 HA2 GLY 105 HA2 GLY 105 -7.690 -11.404 -13.838 786 HA3 GLY 105 HA3 GLY 105 -5.965 -11.159 -13.601 787 H GLY 106 H GLY 106 -8.364 -10.458 -11.158 788 HA2 GLY 106 HA2 GLY 106 -8.902 -11.575 -9.203 789 HA3 GLY 106 HA3 GLY 106 -7.996 -12.958 -9.792 790 H LYS 107 H LYS 107 -6.293 -10.002 -9.856 791 HA LYS 107 HA LYS 107 -4.937 -10.700 -7.336 792 HB2 LYS 107 HB2 LYS 107 -3.811 -10.222 -10.053 793 HB3 LYS 107 HB3 LYS 107 -2.905 -9.610 -8.672 794 HG2 LYS 107 HG2 LYS 107 -1.976 -11.698 -9.026 795 HG3 LYS 107 HG3 LYS 107 -3.133 -11.993 -7.736 796 HD2 LYS 107 HD2 LYS 107 -4.686 -12.979 -9.229 797 HD3 LYS 107 HD3 LYS 107 -3.768 -12.447 -10.638 798 HE2 LYS 107 HE2 LYS 107 -3.559 -14.898 -9.911 799 HE3 LYS 107 HE3 LYS 107 -2.086 -14.016 -10.284 800 HZ1 LYS 107 HZ1 LYS 107 -2.238 -15.450 -8.156 801 HZ2 LYS 107 HZ2 LYS 107 -3.045 -14.110 -7.518 802 HZ3 LYS 107 HZ3 LYS 107 -1.461 -13.942 -8.104 803 H LEU 108 H LEU 108 -4.200 -9.013 -6.090 804 HA LEU 108 HA LEU 108 -5.431 -6.423 -6.634 805 HB2 LEU 108 HB2 LEU 108 -5.557 -7.649 -4.400 806 HB3 LEU 108 HB3 LEU 108 -3.860 -7.285 -4.200 807 HG LEU 108 HG LEU 108 -4.372 -5.339 -3.246 808 HD11 LEU 108 HD11 LEU 108 -5.646 -3.570 -4.421 809 HD12 LEU 108 HD12 LEU 108 -5.987 -4.720 -5.714 810 HD13 LEU 108 HD13 LEU 108 -4.323 -4.236 -5.380 811 HD21 LEU 108 HD21 LEU 108 -6.289 -6.395 -2.324 812 HD22 LEU 108 HD22 LEU 108 -7.209 -6.150 -3.809 813 HD23 LEU 108 HD23 LEU 108 -6.759 -4.767 -2.817 814 H VAL 109 H VAL 109 -4.277 -5.189 -7.935 815 HA VAL 109 HA VAL 109 -1.376 -5.042 -7.509 816 HB VAL 109 HB VAL 109 -1.786 -5.751 -9.746 817 HG11 VAL 109 HG11 VAL 109 -4.141 -5.106 -9.913 818 HG12 VAL 109 HG12 VAL 109 -3.219 -4.572 -11.319 819 HG13 VAL 109 HG13 VAL 109 -3.666 -3.414 -10.066 820 HG21 VAL 109 HG21 VAL 109 -0.083 -3.939 -9.368 821 HG22 VAL 109 HG22 VAL 109 -1.283 -2.793 -9.971 822 HG23 VAL 109 HG23 VAL 109 -0.686 -4.077 -11.021 823 H GLU 110 H GLU 110 -0.778 -3.349 -6.370 824 HA GLU 110 HA GLU 110 -2.448 -0.939 -6.446 825 HB2 GLU 110 HB2 GLU 110 -0.463 -1.964 -4.421 826 HB3 GLU 110 HB3 GLU 110 -1.107 -0.328 -4.368 827 HG2 GLU 110 HG2 GLU 110 -3.345 -1.164 -4.090 828 HG3 GLU 110 HG3 GLU 110 -2.793 -2.825 -4.301 829 H ILE 111 H ILE 111 -1.756 0.855 -7.343 830 HA ILE 111 HA ILE 111 1.036 0.962 -8.273 831 HB ILE 111 HB ILE 111 -1.471 2.229 -9.396 832 HG12 ILE 111 HG12 ILE 111 -0.281 1.058 -11.490 833 HG13 ILE 111 HG13 ILE 111 0.339 0.024 -10.213 834 HG21 ILE 111 HG21 ILE 111 1.388 2.735 -10.181 835 HG22 ILE 111 HG22 ILE 111 0.247 3.899 -9.502 836 HG23 ILE 111 HG23 ILE 111 -0.023 3.241 -11.116 837 HD11 ILE 111 HD11 ILE 111 -1.697 -0.853 -11.260 838 HD12 ILE 111 HD12 ILE 111 -2.573 0.576 -10.711 839 HD13 ILE 111 HD13 ILE 111 -1.897 -0.551 -9.532 840 H SER 112 H SER 112 2.315 2.595 -7.632 841 HA SER 112 HA SER 112 1.101 4.859 -6.185 842 HB2 SER 112 HB2 SER 112 3.651 3.401 -5.434 843 HB3 SER 112 HB3 SER 112 3.005 4.824 -4.624 844 HG SER 112 HG SER 112 1.094 2.968 -4.764 845 H THR 113 H THR 113 1.416 6.573 -7.431 846 HA THR 113 HA THR 113 3.854 6.733 -9.053 847 HB THR 113 HB THR 113 1.773 8.843 -9.218 848 HG1 THR 113 HG1 THR 113 1.242 6.166 -9.486 849 HG21 THR 113 HG21 THR 113 3.483 7.306 -11.175 850 HG22 THR 113 HG22 THR 113 3.600 9.011 -10.737 851 HG23 THR 113 HG23 THR 113 2.224 8.435 -11.680 852 H SER 114 H SER 114 5.446 8.138 -8.596 853 HA SER 114 HA SER 114 4.921 10.446 -6.910 854 HB2 SER 114 HB2 SER 114 6.962 8.335 -6.165 855 HB3 SER 114 HB3 SER 114 6.784 9.901 -5.372 856 HG SER 114 HG SER 114 4.396 8.836 -5.401 857 H SER 115 H SER 115 5.712 12.052 -7.994 858 HA SER 115 HA SER 115 7.026 13.372 -9.266 859 HB2 SER 115 HB2 SER 115 9.381 11.619 -8.624 860 HB3 SER 115 HB3 SER 115 9.320 13.371 -8.816 861 HG SER 115 HG SER 115 7.754 13.080 -6.878 862 H GLY 116 H GLY 116 5.803 10.964 -10.490 863 HA2 GLY 116 HA2 GLY 116 5.747 10.619 -12.854 864 HA3 GLY 116 HA3 GLY 116 7.467 10.966 -12.915 865 H VAL 117 H VAL 117 7.721 9.122 -10.453 866 HA VAL 117 HA VAL 117 8.200 6.741 -12.028 867 HB VAL 117 HB VAL 117 8.678 7.255 -9.084 868 HG11 VAL 117 HG11 VAL 117 9.991 5.210 -9.099 869 HG12 VAL 117 HG12 VAL 117 9.604 4.952 -10.801 870 HG13 VAL 117 HG13 VAL 117 8.331 4.868 -9.585 871 HG21 VAL 117 HG21 VAL 117 10.621 7.123 -11.385 872 HG22 VAL 117 HG22 VAL 117 11.008 7.469 -9.698 873 HG23 VAL 117 HG23 VAL 117 10.041 8.610 -10.636 874 H VAL 118 H VAL 118 6.762 5.193 -12.303 875 HA VAL 118 HA VAL 118 4.448 5.041 -10.531 876 HB VAL 118 HB VAL 118 4.918 3.674 -13.187 877 HG11 VAL 118 HG11 VAL 118 2.491 3.259 -13.122 878 HG12 VAL 118 HG12 VAL 118 2.437 3.936 -11.496 879 HG13 VAL 118 HG13 VAL 118 3.348 2.457 -11.805 880 HG21 VAL 118 HG21 VAL 118 4.778 6.193 -13.208 881 HG22 VAL 118 HG22 VAL 118 3.123 6.015 -12.626 882 HG23 VAL 118 HG23 VAL 118 3.584 5.348 -14.194 883 H TYR 119 H TYR 119 4.779 3.778 -8.855 884 HA TYR 119 HA TYR 119 6.396 1.354 -9.081 885 HB2 TYR 119 HB2 TYR 119 6.859 2.694 -7.154 886 HB3 TYR 119 HB3 TYR 119 5.152 2.822 -6.756 887 HD1 TYR 119 HD1 TYR 119 7.660 0.092 -7.300 888 HD2 TYR 119 HD2 TYR 119 4.455 1.604 -4.949 889 HE1 TYR 119 HE1 TYR 119 7.871 -1.832 -5.786 890 HE2 TYR 119 HE2 TYR 119 4.655 -0.314 -3.426 891 HH TYR 119 HH TYR 119 7.292 -2.604 -3.692 892 H LYS 120 H LYS 120 5.474 -0.568 -9.463 893 HA LYS 120 HA LYS 120 2.635 -0.922 -8.761 894 HB2 LYS 120 HB2 LYS 120 4.191 -2.105 -11.059 895 HB3 LYS 120 HB3 LYS 120 2.549 -2.544 -10.638 896 HG2 LYS 120 HG2 LYS 120 1.715 -0.470 -11.268 897 HG3 LYS 120 HG3 LYS 120 3.314 0.272 -11.266 898 HD2 LYS 120 HD2 LYS 120 3.945 -1.199 -13.142 899 HD3 LYS 120 HD3 LYS 120 2.290 -1.820 -13.178 900 HE2 LYS 120 HE2 LYS 120 1.550 -0.047 -14.289 901 HE3 LYS 120 HE3 LYS 120 2.386 1.075 -13.218 902 HZ1 LYS 120 HZ1 LYS 120 4.413 -0.034 -14.641 903 HZ2 LYS 120 HZ2 LYS 120 3.686 1.462 -14.981 904 HZ3 LYS 120 HZ3 LYS 120 3.175 0.076 -15.797 905 H ARG 121 H ARG 121 2.059 -2.747 -7.718 906 HA ARG 121 HA ARG 121 3.954 -4.954 -7.534 907 HB2 ARG 121 HB2 ARG 121 3.502 -5.034 -4.983 908 HB3 ARG 121 HB3 ARG 121 4.736 -3.945 -5.598 909 HG2 ARG 121 HG2 ARG 121 3.546 -2.080 -5.080 910 HG3 ARG 121 HG3 ARG 121 1.989 -2.886 -5.259 911 HD2 ARG 121 HD2 ARG 121 3.855 -3.662 -3.052 912 HD3 ARG 121 HD3 ARG 121 2.818 -2.250 -2.885 913 HE ARG 121 HE ARG 121 1.890 -5.021 -3.229 914 HH11 ARG 121 HH11 ARG 121 1.397 -1.708 -2.167 915 HH12 ARG 121 HH12 ARG 121 -0.302 -2.000 -1.631 916 HH21 ARG 121 HH21 ARG 121 -0.251 -5.464 -2.513 917 HH22 ARG 121 HH22 ARG 121 -1.221 -4.097 -1.815 918 H THR 122 H THR 122 2.908 -6.688 -7.974 919 HA THR 122 HA THR 122 0.004 -6.755 -7.665 920 HB THR 122 HB THR 122 1.820 -8.859 -8.870 921 HG1 THR 122 HG1 THR 122 1.690 -6.634 -9.888 922 HG21 THR 122 HG21 THR 122 -0.136 -9.819 -9.806 923 HG22 THR 122 HG22 THR 122 -1.123 -8.434 -9.343 924 HG23 THR 122 HG23 THR 122 -0.509 -9.532 -8.106 925 H SER 123 H SER 123 -1.083 -8.057 -6.275 926 HA SER 123 HA SER 123 0.504 -9.791 -4.507 927 HB2 SER 123 HB2 SER 123 -1.900 -8.398 -3.414 928 HB3 SER 123 HB3 SER 123 -0.412 -8.875 -2.595 929 HG SER 123 HG SER 123 -0.614 -6.756 -4.483 930 H LYS 124 H LYS 124 -0.359 -11.789 -4.115 931 HA LYS 124 HA LYS 124 -2.681 -12.535 -5.670 932 HB2 LYS 124 HB2 LYS 124 -2.120 -14.803 -5.181 933 HB3 LYS 124 HB3 LYS 124 -0.621 -13.954 -5.529 934 HG2 LYS 124 HG2 LYS 124 -0.273 -13.720 -3.057 935 HG3 LYS 124 HG3 LYS 124 -1.654 -14.796 -2.832 936 HD2 LYS 124 HD2 LYS 124 -0.526 -16.575 -4.002 937 HD3 LYS 124 HD3 LYS 124 0.802 -15.500 -4.440 938 HE2 LYS 124 HE2 LYS 124 1.657 -16.698 -2.634 939 HE3 LYS 124 HE3 LYS 124 1.110 -15.191 -1.902 940 HZ1 LYS 124 HZ1 LYS 124 -1.067 -16.777 -1.729 941 HZ2 LYS 124 HZ2 LYS 124 0.050 -16.520 -0.479 942 HZ3 LYS 124 HZ3 LYS 124 0.185 -17.880 -1.480 943 H LYS 125 H LYS 125 -4.517 -13.640 -4.820 944 HA LYS 125 HA LYS 125 -5.315 -12.578 -2.218 945 HB2 LYS 125 HB2 LYS 125 -6.687 -12.450 -4.472 946 HB3 LYS 125 HB3 LYS 125 -7.186 -14.074 -4.017 947 HG2 LYS 125 HG2 LYS 125 -7.499 -11.678 -2.222 948 HG3 LYS 125 HG3 LYS 125 -8.745 -12.240 -3.336 949 HD2 LYS 125 HD2 LYS 125 -7.762 -14.426 -1.758 950 HD3 LYS 125 HD3 LYS 125 -8.272 -13.106 -0.709 951 HE2 LYS 125 HE2 LYS 125 -10.064 -14.745 -1.202 952 HE3 LYS 125 HE3 LYS 125 -10.465 -13.101 -1.696 953 HZ1 LYS 125 HZ1 LYS 125 -9.714 -13.753 -3.969 954 HZ2 LYS 125 HZ2 LYS 125 -11.106 -14.544 -3.435 955 HZ3 LYS 125 HZ3 LYS 125 -9.620 -15.352 -3.427 956 H ILE 126 H ILE 126 -5.471 -13.781 -0.478 957 HA ILE 126 HA ILE 126 -5.980 -16.647 -0.675 958 HB ILE 126 HB ILE 126 -3.976 -16.082 1.377 959 HG12 ILE 126 HG12 ILE 126 -2.136 -16.311 -0.527 960 HG13 ILE 126 HG13 ILE 126 -3.329 -15.422 -1.463 961 HG21 ILE 126 HG21 ILE 126 -4.732 -18.309 0.789 962 HG22 ILE 126 HG22 ILE 126 -2.992 -18.146 0.533 963 HG23 ILE 126 HG23 ILE 126 -4.095 -18.107 -0.844 964 HD11 ILE 126 HD11 ILE 126 -3.283 -13.626 0.163 965 HD12 ILE 126 HD12 ILE 126 -1.657 -13.967 -0.429 966 HD13 ILE 126 HD13 ILE 126 -2.155 -14.540 1.163 967 H ALA 127 H ALA 127 -6.404 -17.545 1.592 968 HA ALA 127 HA ALA 127 -7.396 -15.436 3.371 969 HB1 ALA 127 HB1 ALA 127 -9.310 -16.306 2.078 970 HB2 ALA 127 HB2 ALA 127 -9.453 -16.639 3.805 971 HB3 ALA 127 HB3 ALA 127 -8.971 -17.925 2.699 972 H11 CHO 200 H11 CHO 200 6.261 0.037 -1.504 973 H12 CHO 200 H12 CHO 200 6.929 -1.136 -0.333 974 H21 CHO 200 H21 CHO 200 5.043 -0.724 1.186 975 H22 CHO 200 H22 CHO 200 4.457 -1.234 -0.422 976 H3 CHO 200 H3 CHO 200 4.015 1.119 -1.021 977 HO3 CHO 200 HO3 CHO 200 2.332 -0.053 0.043 978 H41 CHO 200 H41 CHO 200 4.912 1.688 1.843 979 H42 CHO 200 H42 CHO 200 4.246 2.880 0.698 980 H5 CHO 200 H5 CHO 200 6.128 2.453 -0.843 981 H61 CHO 200 H61 CHO 200 6.272 4.222 0.919 982 H62 CHO 200 H62 CHO 200 7.865 3.554 0.485 983 H7 CHO 200 H7 CHO 200 7.668 3.747 2.919 984 HO7 CHO 200 HO7 CHO 200 5.585 1.764 2.874 985 H8 CHO 200 H8 CHO 200 8.950 1.866 2.030 986 H9 CHO 200 H9 CHO 200 6.300 0.363 2.212 987 H111 CHO 200 H111 CHO 200 9.025 -0.658 1.363 988 H112 CHO 200 H112 CHO 200 7.481 -1.574 1.416 989 H121 CHO 200 H121 CHO 200 8.930 -2.057 3.383 990 H122 CHO 200 H122 CHO 200 7.379 -1.331 3.845 991 H14 CHO 200 H14 CHO 200 7.186 1.171 4.336 992 H151 CHO 200 H151 CHO 200 8.457 3.065 5.123 993 H152 CHO 200 H152 CHO 200 9.873 2.662 4.209 994 H161 CHO 200 H161 CHO 200 8.989 1.620 6.857 995 H162 CHO 200 H162 CHO 200 10.580 1.476 6.147 996 H17 CHO 200 H17 CHO 200 8.262 -0.465 5.985 997 H181 CHO 200 H181 CHO 200 10.701 1.304 3.483 998 H182 CHO 200 H182 CHO 200 10.384 0.008 2.305 999 H183 CHO 200 H183 CHO 200 11.184 -0.369 3.849 1000 H191 CHO 200 H191 CHO 200 8.694 2.219 -0.260 1001 H192 CHO 200 H192 CHO 200 8.370 0.917 -1.430 1002 H193 CHO 200 H193 CHO 200 9.184 0.548 0.109 1003 H20 CHO 200 H20 CHO 200 11.172 -0.877 5.521 1004 H211 CHO 200 H211 CHO 200 9.671 -3.102 6.574 1005 H212 CHO 200 H212 CHO 200 10.592 -2.988 5.055 1006 H213 CHO 200 H213 CHO 200 8.881 -2.502 5.097 1007 H221 CHO 200 H221 CHO 200 9.460 -1.115 8.027 1008 H222 CHO 200 H222 CHO 200 10.809 0.032 7.743 1009 H231 CHO 200 H231 CHO 200 12.347 -1.917 7.487 1010 H232 CHO 200 H232 CHO 200 10.990 -2.990 7.942 1011 HN CHO 200 HN CHO 200 11.883 -3.780 9.880 1012 H261 CHO 200 H261 CHO 200 12.465 -1.755 11.969 1013 H262 CHO 200 H262 CHO 200 13.090 -3.426 11.911 1014 H11 CHO 201 H11 CHO 201 -6.183 4.233 0.558 1015 H12 CHO 201 H12 CHO 201 -4.774 5.013 -0.216 1016 H21 CHO 201 H21 CHO 201 -3.800 2.814 -0.708 1017 H22 CHO 201 H22 CHO 201 -5.444 2.938 -1.393 1018 H3 CHO 201 H3 CHO 201 -6.355 1.694 0.532 1019 HO3 CHO 201 HO3 CHO 201 -5.678 0.409 -1.216 1020 H41 CHO 201 H41 CHO 201 -3.435 1.497 1.401 1021 H42 CHO 201 H42 CHO 201 -4.816 0.694 2.187 1022 H5 CHO 201 H5 CHO 201 -5.833 2.906 2.650 1023 H61 CHO 201 H61 CHO 201 -4.294 1.821 4.293 1024 H62 CHO 201 H62 CHO 201 -4.272 3.598 4.400 1025 H7 CHO 201 H7 CHO 201 -1.989 2.743 4.481 1026 HO7 CHO 201 HO7 CHO 201 -1.170 1.590 2.574 1027 H8 CHO 201 H8 CHO 201 -2.337 4.854 3.336 1028 H9 CHO 201 H9 CHO 201 -2.606 3.145 0.821 1029 H111 CHO 201 H111 CHO 201 -2.737 6.160 1.090 1030 H112 CHO 201 H112 CHO 201 -2.869 5.173 -0.409 1031 H121 CHO 201 H121 CHO 201 -0.624 6.236 -0.135 1032 H122 CHO 201 H122 CHO 201 -0.559 4.466 -0.211 1033 H14 CHO 201 H14 CHO 201 -0.430 3.043 1.908 1034 H151 CHO 201 H151 CHO 201 0.323 3.165 4.256 1035 H152 CHO 201 H152 CHO 201 -0.013 4.837 4.411 1036 H161 CHO 201 H161 CHO 201 2.142 3.441 2.733 1037 H162 CHO 201 H162 CHO 201 2.329 4.912 3.661 1038 H17 CHO 201 H17 CHO 201 1.673 4.702 0.846 1039 H181 CHO 201 H181 CHO 201 -0.692 7.373 2.022 1040 H182 CHO 201 H182 CHO 201 -0.006 6.583 3.463 1041 H183 CHO 201 H183 CHO 201 -1.693 6.268 2.993 1042 H191 CHO 201 H191 CHO 201 -4.600 6.215 1.883 1043 H192 CHO 201 H192 CHO 201 -3.953 5.407 3.331 1044 H193 CHO 201 H193 CHO 201 -5.675 5.242 2.915 1045 H20 CHO 201 H20 CHO 201 1.564 7.112 2.626 1046 H211 CHO 201 H211 CHO 201 1.310 6.676 -0.293 1047 H212 CHO 201 H212 CHO 201 2.433 7.968 0.196 1048 H213 CHO 201 H213 CHO 201 0.735 8.017 0.726 1049 H221 CHO 201 H221 CHO 201 3.864 5.920 1.034 1050 H222 CHO 201 H222 CHO 201 3.692 5.905 2.816 1051 H231 CHO 201 H231 CHO 201 3.629 8.410 2.767 1052 H232 CHO 201 H232 CHO 201 4.005 8.325 1.016 1053 HN CHO 201 HN CHO 201 5.449 5.694 2.545 1054 H261 CHO 201 H261 CHO 201 8.039 7.124 2.784 1055 H262 CHO 201 H262 CHO 201 7.837 5.451 2.217 Start of MODEL 10 1 H ALA 1 H ALA 1 -14.535 -6.814 -4.790 2 HA ALA 1 HA ALA 1 -13.788 -9.643 -4.339 3 HB1 ALA 1 HB1 ALA 1 -14.201 -9.265 -6.693 4 HB2 ALA 1 HB2 ALA 1 -12.465 -9.409 -6.408 5 HB3 ALA 1 HB3 ALA 1 -13.187 -7.822 -6.665 6 H PHE 2 H PHE 2 -13.334 -6.686 -3.103 7 HA PHE 2 HA PHE 2 -10.430 -6.653 -3.204 8 HB2 PHE 2 HB2 PHE 2 -12.499 -4.809 -2.058 9 HB3 PHE 2 HB3 PHE 2 -10.804 -4.647 -1.613 10 HD1 PHE 2 HD1 PHE 2 -13.147 -4.587 -4.476 11 HD2 PHE 2 HD2 PHE 2 -9.260 -3.617 -3.049 12 HE1 PHE 2 HE1 PHE 2 -12.735 -3.283 -6.518 13 HE2 PHE 2 HE2 PHE 2 -8.838 -2.298 -5.089 14 HZ PHE 2 HZ PHE 2 -10.578 -2.133 -6.824 15 H THR 3 H THR 3 -12.915 -7.752 -1.066 16 HA THR 3 HA THR 3 -11.466 -7.688 1.359 17 HB THR 3 HB THR 3 -13.572 -9.742 0.811 18 HG1 THR 3 HG1 THR 3 -13.824 -6.942 0.737 19 HG21 THR 3 HG21 THR 3 -13.117 -7.887 3.145 20 HG22 THR 3 HG22 THR 3 -12.425 -9.507 3.026 21 HG23 THR 3 HG23 THR 3 -14.176 -9.296 3.088 22 H GLY 4 H GLY 4 -10.163 -9.152 2.330 23 HA2 GLY 4 HA2 GLY 4 -9.713 -11.680 2.355 24 HA3 GLY 4 HA3 GLY 4 -9.326 -11.412 0.662 25 H LYS 5 H LYS 5 -7.428 -12.523 2.266 26 HA LYS 5 HA LYS 5 -5.628 -10.331 2.979 27 HB2 LYS 5 HB2 LYS 5 -4.642 -11.726 4.453 28 HB3 LYS 5 HB3 LYS 5 -6.067 -12.728 4.235 29 HG2 LYS 5 HG2 LYS 5 -4.765 -13.872 2.365 30 HG3 LYS 5 HG3 LYS 5 -3.348 -13.048 3.009 31 HD2 LYS 5 HD2 LYS 5 -5.150 -14.843 4.626 32 HD3 LYS 5 HD3 LYS 5 -3.653 -15.376 3.855 33 HE2 LYS 5 HE2 LYS 5 -2.518 -14.682 5.631 34 HE3 LYS 5 HE3 LYS 5 -3.054 -13.030 5.316 35 HZ1 LYS 5 HZ1 LYS 5 -5.123 -14.503 6.549 36 HZ2 LYS 5 HZ2 LYS 5 -4.344 -13.105 7.104 37 HZ3 LYS 5 HZ3 LYS 5 -3.716 -14.635 7.476 38 H TYR 6 H TYR 6 -3.689 -9.980 1.959 39 HA TYR 6 HA TYR 6 -3.254 -11.508 -0.520 40 HB2 TYR 6 HB2 TYR 6 -2.909 -8.528 -0.124 41 HB3 TYR 6 HB3 TYR 6 -2.520 -9.417 -1.590 42 HD1 TYR 6 HD1 TYR 6 -4.384 -10.549 -2.846 43 HD2 TYR 6 HD2 TYR 6 -5.083 -7.761 0.287 44 HE1 TYR 6 HE1 TYR 6 -6.673 -10.214 -3.668 45 HE2 TYR 6 HE2 TYR 6 -7.377 -7.417 -0.527 46 HH TYR 6 HH TYR 6 -8.887 -7.968 -2.038 47 H GLU 7 H GLU 7 -1.188 -12.059 -1.008 48 HA GLU 7 HA GLU 7 0.908 -11.136 0.845 49 HB2 GLU 7 HB2 GLU 7 0.361 -13.896 -0.203 50 HB3 GLU 7 HB3 GLU 7 1.979 -13.431 0.307 51 HG2 GLU 7 HG2 GLU 7 0.753 -12.682 2.488 52 HG3 GLU 7 HG3 GLU 7 -0.489 -13.797 1.928 53 H PHE 8 H PHE 8 2.931 -10.816 0.027 54 HA PHE 8 HA PHE 8 3.232 -9.643 -2.420 55 HB2 PHE 8 HB2 PHE 8 4.911 -9.256 -0.815 56 HB3 PHE 8 HB3 PHE 8 5.203 -10.976 -0.585 57 HD1 PHE 8 HD1 PHE 8 5.288 -8.546 -3.427 58 HD2 PHE 8 HD2 PHE 8 7.196 -11.740 -1.370 59 HE1 PHE 8 HE1 PHE 8 7.161 -8.453 -5.027 60 HE2 PHE 8 HE2 PHE 8 9.075 -11.654 -2.960 61 HZ PHE 8 HZ PHE 8 9.052 -10.006 -4.792 62 H GLU 9 H GLU 9 3.265 -10.313 -4.418 63 HA GLU 9 HA GLU 9 4.042 -13.092 -4.998 64 HB2 GLU 9 HB2 GLU 9 1.621 -12.782 -5.293 65 HB3 GLU 9 HB3 GLU 9 1.927 -11.446 -6.394 66 HG2 GLU 9 HG2 GLU 9 1.633 -13.081 -7.925 67 HG3 GLU 9 HG3 GLU 9 3.357 -13.306 -7.631 68 H SER 10 H SER 10 3.611 -9.868 -6.409 69 HA SER 10 HA SER 10 6.204 -10.120 -7.711 70 HB2 SER 10 HB2 SER 10 3.687 -9.384 -9.233 71 HB3 SER 10 HB3 SER 10 5.316 -9.465 -9.887 72 HG SER 10 HG SER 10 4.852 -11.797 -8.754 73 H ASP 11 H ASP 11 7.104 -8.050 -8.305 74 HA ASP 11 HA ASP 11 5.640 -5.657 -7.482 75 HB2 ASP 11 HB2 ASP 11 6.844 -6.496 -5.461 76 HB3 ASP 11 HB3 ASP 11 8.348 -6.368 -6.355 77 H GLU 12 H GLU 12 6.702 -3.677 -8.245 78 HA GLU 12 HA GLU 12 8.893 -3.999 -10.109 79 HB2 GLU 12 HB2 GLU 12 7.151 -4.649 -11.583 80 HB3 GLU 12 HB3 GLU 12 6.093 -3.370 -11.015 81 HG2 GLU 12 HG2 GLU 12 7.034 -1.805 -12.338 82 HG3 GLU 12 HG3 GLU 12 8.643 -2.515 -12.223 83 H ASN 13 H ASN 13 9.981 -2.178 -10.522 84 HA ASN 13 HA ASN 13 10.748 -0.055 -10.388 85 HB2 ASN 13 HB2 ASN 13 8.163 0.203 -11.215 86 HB3 ASN 13 HB3 ASN 13 8.173 1.214 -9.773 87 HD21 ASN 13 HD21 ASN 13 7.742 2.900 -11.366 88 HD22 ASN 13 HD22 ASN 13 9.088 3.660 -12.150 89 H TYR 14 H TYR 14 10.689 -1.635 -8.038 90 HA TYR 14 HA TYR 14 9.816 -0.135 -5.794 91 HB2 TYR 14 HB2 TYR 14 10.274 -2.623 -5.821 92 HB3 TYR 14 HB3 TYR 14 11.990 -2.237 -5.830 93 HD1 TYR 14 HD1 TYR 14 13.012 -1.097 -3.854 94 HD2 TYR 14 HD2 TYR 14 8.991 -2.499 -3.812 95 HE1 TYR 14 HE1 TYR 14 12.978 -0.921 -1.403 96 HE2 TYR 14 HE2 TYR 14 8.954 -2.323 -1.365 97 HH TYR 14 HH TYR 14 10.615 -2.325 0.499 98 H ASP 15 H ASP 15 13.087 -0.737 -7.095 99 HA ASP 15 HA ASP 15 14.442 0.930 -5.295 100 HB2 ASP 15 HB2 ASP 15 15.157 -0.064 -8.017 101 HB3 ASP 15 HB3 ASP 15 16.232 0.981 -7.111 102 H ASP 16 H ASP 16 13.094 1.613 -8.477 103 HA ASP 16 HA ASP 16 14.162 4.206 -8.754 104 HB2 ASP 16 HB2 ASP 16 12.457 2.501 -10.195 105 HB3 ASP 16 HB3 ASP 16 11.578 4.011 -9.984 106 H PHE 17 H PHE 17 11.234 2.967 -7.287 107 HA PHE 17 HA PHE 17 10.032 5.478 -6.741 108 HB2 PHE 17 HB2 PHE 17 8.842 3.275 -6.846 109 HB3 PHE 17 HB3 PHE 17 9.600 2.845 -5.317 110 HD1 PHE 17 HD1 PHE 17 7.312 5.286 -6.910 111 HD2 PHE 17 HD2 PHE 17 8.650 3.504 -3.286 112 HE1 PHE 17 HE1 PHE 17 5.453 6.348 -5.705 113 HE2 PHE 17 HE2 PHE 17 6.790 4.568 -2.071 114 HZ PHE 17 HZ PHE 17 5.191 5.991 -3.287 115 H VAL 18 H VAL 18 11.788 3.166 -4.696 116 HA VAL 18 HA VAL 18 11.733 4.780 -2.391 117 HB VAL 18 HB VAL 18 13.508 3.324 -1.516 118 HG11 VAL 18 HG11 VAL 18 11.369 1.775 -2.963 119 HG12 VAL 18 HG12 VAL 18 11.110 2.693 -1.478 120 HG13 VAL 18 HG13 VAL 18 12.205 1.310 -1.482 121 HG21 VAL 18 HG21 VAL 18 13.559 2.310 -4.345 122 HG22 VAL 18 HG22 VAL 18 14.111 1.328 -2.986 123 HG23 VAL 18 HG23 VAL 18 14.909 2.861 -3.348 124 H LYS 19 H LYS 19 14.136 4.491 -5.005 125 HA LYS 19 HA LYS 19 16.044 6.197 -3.787 126 HB2 LYS 19 HB2 LYS 19 15.562 5.200 -6.558 127 HB3 LYS 19 HB3 LYS 19 16.662 6.554 -6.339 128 HG2 LYS 19 HG2 LYS 19 16.975 4.024 -4.765 129 HG3 LYS 19 HG3 LYS 19 17.646 4.195 -6.388 130 HD2 LYS 19 HD2 LYS 19 19.268 5.602 -5.711 131 HD3 LYS 19 HD3 LYS 19 18.214 6.429 -4.562 132 HE2 LYS 19 HE2 LYS 19 19.841 5.360 -3.247 133 HE3 LYS 19 HE3 LYS 19 18.403 4.348 -3.120 134 HZ1 LYS 19 HZ1 LYS 19 19.335 2.751 -4.530 135 HZ2 LYS 19 HZ2 LYS 19 20.603 3.194 -3.505 136 HZ3 LYS 19 HZ3 LYS 19 20.545 3.794 -5.079 137 H LYS 20 H LYS 20 13.111 6.807 -5.521 138 HA LYS 20 HA LYS 20 13.722 9.552 -6.120 139 HB2 LYS 20 HB2 LYS 20 12.252 8.252 -7.578 140 HB3 LYS 20 HB3 LYS 20 11.113 8.036 -6.258 141 HG2 LYS 20 HG2 LYS 20 10.342 9.758 -7.770 142 HG3 LYS 20 HG3 LYS 20 10.726 10.451 -6.195 143 HD2 LYS 20 HD2 LYS 20 11.562 11.906 -7.918 144 HD3 LYS 20 HD3 LYS 20 12.925 11.157 -7.092 145 HE2 LYS 20 HE2 LYS 20 13.328 9.685 -8.898 146 HE3 LYS 20 HE3 LYS 20 11.771 10.055 -9.638 147 HZ1 LYS 20 HZ1 LYS 20 13.683 11.144 -10.735 148 HZ2 LYS 20 HZ2 LYS 20 13.967 12.030 -9.325 149 HZ3 LYS 20 HZ3 LYS 20 12.524 12.240 -10.180 150 H ILE 21 H ILE 21 11.565 7.884 -3.798 151 HA ILE 21 HA ILE 21 10.718 10.353 -2.618 152 HB ILE 21 HB ILE 21 9.685 8.983 -0.855 153 HG12 ILE 21 HG12 ILE 21 10.453 6.482 -2.304 154 HG13 ILE 21 HG13 ILE 21 11.600 7.183 -1.165 155 HG21 ILE 21 HG21 ILE 21 8.227 7.591 -2.464 156 HG22 ILE 21 HG22 ILE 21 9.214 8.315 -3.735 157 HG23 ILE 21 HG23 ILE 21 8.267 9.344 -2.660 158 HD11 ILE 21 HD11 ILE 21 10.045 5.396 -0.287 159 HD12 ILE 21 HD12 ILE 21 8.757 6.599 -0.411 160 HD13 ILE 21 HD13 ILE 21 10.142 6.890 0.643 161 H GLY 22 H GLY 22 13.610 8.733 -2.422 162 HA2 GLY 22 HA2 GLY 22 15.476 9.242 -1.163 163 HA3 GLY 22 HA3 GLY 22 14.512 10.411 -0.280 164 H LEU 23 H LEU 23 13.770 6.986 -0.603 165 HA LEU 23 HA LEU 23 13.443 6.684 2.208 166 HB2 LEU 23 HB2 LEU 23 12.266 5.374 0.391 167 HB3 LEU 23 HB3 LEU 23 13.770 4.514 0.135 168 HG LEU 23 HG LEU 23 13.640 3.677 2.481 169 HD11 LEU 23 HD11 LEU 23 12.001 5.646 3.057 170 HD12 LEU 23 HD12 LEU 23 11.861 4.086 3.864 171 HD13 LEU 23 HD13 LEU 23 10.777 4.488 2.535 172 HD21 LEU 23 HD21 LEU 23 12.267 1.914 1.934 173 HD22 LEU 23 HD22 LEU 23 12.616 2.582 0.341 174 HD23 LEU 23 HD23 LEU 23 11.085 2.947 1.131 175 HA PRO 24 HA PRO 24 17.736 6.011 3.250 176 HB2 PRO 24 HB2 PRO 24 17.311 4.701 5.636 177 HB3 PRO 24 HB3 PRO 24 17.248 6.462 5.449 178 HG2 PRO 24 HG2 PRO 24 15.017 4.501 5.554 179 HG3 PRO 24 HG3 PRO 24 15.141 6.119 6.268 180 HD2 PRO 24 HD2 PRO 24 13.740 5.660 4.022 181 HD3 PRO 24 HD3 PRO 24 14.610 7.184 4.293 182 H ALA 25 H ALA 25 19.190 4.384 2.962 183 HA ALA 25 HA ALA 25 18.502 2.050 1.632 184 HB1 ALA 25 HB1 ALA 25 20.770 1.423 1.791 185 HB2 ALA 25 HB2 ALA 25 20.991 2.323 3.289 186 HB3 ALA 25 HB3 ALA 25 20.769 3.186 1.764 187 H ASP 26 H ASP 26 18.986 2.642 5.038 188 HA ASP 26 HA ASP 26 19.071 0.093 6.070 189 HB2 ASP 26 HB2 ASP 26 19.460 1.920 7.533 190 HB3 ASP 26 HB3 ASP 26 17.908 2.657 7.160 191 H LYS 27 H LYS 27 16.235 2.011 5.161 192 HA LYS 27 HA LYS 27 14.459 -0.139 6.011 193 HB2 LYS 27 HB2 LYS 27 13.807 2.511 4.722 194 HB3 LYS 27 HB3 LYS 27 12.637 1.365 5.348 195 HG2 LYS 27 HG2 LYS 27 14.641 2.967 6.916 196 HG3 LYS 27 HG3 LYS 27 12.881 3.099 6.956 197 HD2 LYS 27 HD2 LYS 27 12.747 0.825 7.885 198 HD3 LYS 27 HD3 LYS 27 14.508 0.726 7.874 199 HE2 LYS 27 HE2 LYS 27 14.337 2.923 9.283 200 HE3 LYS 27 HE3 LYS 27 12.709 2.345 9.621 201 HZ1 LYS 27 HZ1 LYS 27 13.681 0.270 10.444 202 HZ2 LYS 27 HZ2 LYS 27 14.242 1.605 11.316 203 HZ3 LYS 27 HZ3 LYS 27 15.237 0.876 10.155 204 H ILE 28 H ILE 28 15.742 1.285 3.093 205 HA ILE 28 HA ILE 28 14.003 0.203 1.213 206 HB ILE 28 HB ILE 28 16.945 0.823 1.030 207 HG12 ILE 28 HG12 ILE 28 14.509 2.193 -0.114 208 HG13 ILE 28 HG13 ILE 28 15.457 2.748 1.262 209 HG21 ILE 28 HG21 ILE 28 16.834 0.529 -1.365 210 HG22 ILE 28 HG22 ILE 28 15.144 0.040 -1.253 211 HG23 ILE 28 HG23 ILE 28 16.405 -0.975 -0.551 212 HD11 ILE 28 HD11 ILE 28 16.493 2.469 -1.553 213 HD12 ILE 28 HD12 ILE 28 17.367 3.127 -0.169 214 HD13 ILE 28 HD13 ILE 28 15.959 3.975 -0.806 215 H GLU 29 H GLU 29 17.114 -1.103 2.352 216 HA GLU 29 HA GLU 29 16.881 -3.536 0.935 217 HB2 GLU 29 HB2 GLU 29 18.583 -2.855 3.330 218 HB3 GLU 29 HB3 GLU 29 18.773 -4.284 2.321 219 HG2 GLU 29 HG2 GLU 29 19.186 -1.419 1.527 220 HG3 GLU 29 HG3 GLU 29 20.390 -2.703 1.637 221 H MET 30 H MET 30 15.791 -2.501 4.054 222 HA MET 30 HA MET 30 15.359 -5.130 5.095 223 HB2 MET 30 HB2 MET 30 15.799 -3.123 6.501 224 HB3 MET 30 HB3 MET 30 14.222 -2.499 6.050 225 HG2 MET 30 HG2 MET 30 14.142 -3.507 8.239 226 HG3 MET 30 HG3 MET 30 13.159 -4.424 7.104 227 HE1 MET 30 HE1 MET 30 12.985 -6.826 7.836 228 HE2 MET 30 HE2 MET 30 14.326 -7.880 7.385 229 HE3 MET 30 HE3 MET 30 13.677 -6.728 6.216 230 H GLY 31 H GLY 31 13.471 -2.816 3.252 231 HA2 GLY 31 HA2 GLY 31 11.122 -4.588 3.551 232 HA3 GLY 31 HA3 GLY 31 11.052 -2.894 3.106 233 H ARG 32 H ARG 32 13.422 -4.966 1.598 234 HA ARG 32 HA ARG 32 11.825 -4.760 -0.867 235 HB2 ARG 32 HB2 ARG 32 13.849 -4.712 -2.154 236 HB3 ARG 32 HB3 ARG 32 13.972 -3.493 -0.894 237 HG2 ARG 32 HG2 ARG 32 15.597 -4.634 0.245 238 HG3 ARG 32 HG3 ARG 32 15.100 -6.200 -0.391 239 HD2 ARG 32 HD2 ARG 32 17.176 -5.655 -1.400 240 HD3 ARG 32 HD3 ARG 32 15.929 -5.459 -2.628 241 HE ARG 32 HE ARG 32 17.361 -3.290 -1.242 242 HH11 ARG 32 HH11 ARG 32 15.284 -4.375 -3.880 243 HH12 ARG 32 HH12 ARG 32 15.573 -2.884 -4.868 244 HH21 ARG 32 HH21 ARG 32 17.790 -1.446 -2.446 245 HH22 ARG 32 HH22 ARG 32 17.011 -1.255 -4.076 246 H ASN 33 H ASN 33 11.365 -6.540 -1.998 247 HA ASN 33 HA ASN 33 11.129 -8.726 -2.566 248 HB2 ASN 33 HB2 ASN 33 13.800 -9.160 -1.206 249 HB3 ASN 33 HB3 ASN 33 13.015 -10.252 -2.343 250 HD21 ASN 33 HD21 ASN 33 15.635 -8.917 -2.439 251 HD22 ASN 33 HD22 ASN 33 15.649 -8.045 -3.934 252 H CYS 34 H CYS 34 10.508 -7.588 0.204 253 HA CYS 34 HA CYS 34 10.496 -10.008 1.818 254 HB2 CYS 34 HB2 CYS 34 9.485 -7.238 2.488 255 HB3 CYS 34 HB3 CYS 34 9.739 -8.564 3.615 256 HG CYS 34 HG CYS 34 11.784 -6.758 4.057 257 H LYS 35 H LYS 35 8.565 -10.834 2.757 258 HA LYS 35 HA LYS 35 6.311 -10.635 0.933 259 HB2 LYS 35 HB2 LYS 35 5.468 -12.611 2.354 260 HB3 LYS 35 HB3 LYS 35 6.828 -12.871 1.274 261 HG2 LYS 35 HG2 LYS 35 7.546 -12.056 4.005 262 HG3 LYS 35 HG3 LYS 35 6.757 -13.630 3.864 263 HD2 LYS 35 HD2 LYS 35 8.424 -14.319 2.209 264 HD3 LYS 35 HD3 LYS 35 9.212 -12.746 2.344 265 HE2 LYS 35 HE2 LYS 35 9.476 -13.261 4.817 266 HE3 LYS 35 HE3 LYS 35 9.006 -14.912 4.421 267 HZ1 LYS 35 HZ1 LYS 35 11.355 -13.445 3.349 268 HZ2 LYS 35 HZ2 LYS 35 10.877 -14.991 2.855 269 HZ3 LYS 35 HZ3 LYS 35 11.382 -14.733 4.446 270 H ILE 36 H ILE 36 5.332 -8.741 1.485 271 HA ILE 36 HA ILE 36 4.441 -8.341 4.231 272 HB ILE 36 HB ILE 36 4.282 -6.604 1.759 273 HG12 ILE 36 HG12 ILE 36 5.401 -5.023 3.551 274 HG13 ILE 36 HG13 ILE 36 5.791 -6.545 4.337 275 HG21 ILE 36 HG21 ILE 36 3.157 -5.855 4.451 276 HG22 ILE 36 HG22 ILE 36 2.168 -6.471 3.125 277 HG23 ILE 36 HG23 ILE 36 3.046 -4.954 2.938 278 HD11 ILE 36 HD11 ILE 36 7.098 -7.257 2.507 279 HD12 ILE 36 HD12 ILE 36 7.561 -5.587 2.846 280 HD13 ILE 36 HD13 ILE 36 6.498 -5.950 1.488 281 H VAL 37 H VAL 37 2.356 -8.585 4.904 282 HA VAL 37 HA VAL 37 0.513 -9.761 2.934 283 HB VAL 37 HB VAL 37 0.138 -9.893 5.913 284 HG11 VAL 37 HG11 VAL 37 -1.811 -10.537 4.810 285 HG12 VAL 37 HG12 VAL 37 -1.009 -12.060 5.195 286 HG13 VAL 37 HG13 VAL 37 -0.929 -11.407 3.558 287 HG21 VAL 37 HG21 VAL 37 1.391 -11.864 6.097 288 HG22 VAL 37 HG22 VAL 37 2.412 -10.781 5.152 289 HG23 VAL 37 HG23 VAL 37 1.505 -12.061 4.348 290 H THR 38 H THR 38 -1.346 -8.769 2.436 291 HA THR 38 HA THR 38 -2.117 -6.403 4.021 292 HB THR 38 HB THR 38 -2.529 -6.948 1.071 293 HG1 THR 38 HG1 THR 38 -1.103 -5.221 0.821 294 HG21 THR 38 HG21 THR 38 -4.475 -5.797 1.918 295 HG22 THR 38 HG22 THR 38 -3.481 -4.654 1.014 296 HG23 THR 38 HG23 THR 38 -3.460 -4.639 2.777 297 H GLU 39 H GLU 39 -3.812 -6.914 5.298 298 HA GLU 39 HA GLU 39 -5.798 -8.821 4.267 299 HB2 GLU 39 HB2 GLU 39 -5.368 -7.827 7.090 300 HB3 GLU 39 HB3 GLU 39 -6.538 -9.047 6.603 301 HG2 GLU 39 HG2 GLU 39 -4.622 -10.416 5.766 302 HG3 GLU 39 HG3 GLU 39 -3.540 -9.238 6.500 303 H VAL 40 H VAL 40 -7.551 -8.043 3.404 304 HA VAL 40 HA VAL 40 -8.429 -5.327 4.123 305 HB VAL 40 HB VAL 40 -9.009 -6.955 1.653 306 HG11 VAL 40 HG11 VAL 40 -10.869 -5.574 1.942 307 HG12 VAL 40 HG12 VAL 40 -9.840 -4.716 0.797 308 HG13 VAL 40 HG13 VAL 40 -9.890 -4.211 2.488 309 HG21 VAL 40 HG21 VAL 40 -6.708 -6.255 1.676 310 HG22 VAL 40 HG22 VAL 40 -7.169 -4.608 2.107 311 HG23 VAL 40 HG23 VAL 40 -7.592 -5.256 0.522 312 H VAL 41 H VAL 41 -10.258 -5.070 5.172 313 HA VAL 41 HA VAL 41 -12.274 -7.226 5.152 314 HB VAL 41 HB VAL 41 -11.781 -5.109 7.264 315 HG11 VAL 41 HG11 VAL 41 -14.157 -5.684 7.013 316 HG12 VAL 41 HG12 VAL 41 -13.503 -6.224 8.560 317 HG13 VAL 41 HG13 VAL 41 -13.756 -7.383 7.255 318 HG21 VAL 41 HG21 VAL 41 -10.077 -6.852 7.282 319 HG22 VAL 41 HG22 VAL 41 -11.330 -8.092 7.324 320 HG23 VAL 41 HG23 VAL 41 -11.133 -6.995 8.689 321 H GLN 42 H GLN 42 -14.180 -6.733 4.215 322 HA GLN 42 HA GLN 42 -14.579 -4.032 3.226 323 HB2 GLN 42 HB2 GLN 42 -14.861 -6.092 1.822 324 HB3 GLN 42 HB3 GLN 42 -16.290 -6.466 2.771 325 HG2 GLN 42 HG2 GLN 42 -17.429 -4.550 1.976 326 HG3 GLN 42 HG3 GLN 42 -15.953 -3.893 1.263 327 HE21 GLN 42 HE21 GLN 42 -18.557 -6.139 0.899 328 HE22 GLN 42 HE22 GLN 42 -18.207 -6.595 -0.731 329 H ASN 43 H ASN 43 -15.362 -2.692 4.721 330 HA ASN 43 HA ASN 43 -17.745 -3.521 6.243 331 HB2 ASN 43 HB2 ASN 43 -15.871 -1.205 6.798 332 HB3 ASN 43 HB3 ASN 43 -17.207 -1.730 7.814 333 HD21 ASN 43 HD21 ASN 43 -14.153 -1.534 7.986 334 HD22 ASN 43 HD22 ASN 43 -13.712 -3.049 8.708 335 H GLY 44 H GLY 44 -18.877 -3.098 4.135 336 HA2 GLY 44 HA2 GLY 44 -20.338 -1.791 2.933 337 HA3 GLY 44 HA3 GLY 44 -20.138 -0.557 4.172 338 H ASN 45 H ASN 45 -18.852 1.181 3.775 339 HA ASN 45 HA ASN 45 -17.477 1.209 1.168 340 HB2 ASN 45 HB2 ASN 45 -19.075 3.241 2.611 341 HB3 ASN 45 HB3 ASN 45 -17.603 3.840 1.852 342 HD21 ASN 45 HD21 ASN 45 -19.530 1.162 0.682 343 HD22 ASN 45 HD22 ASN 45 -20.061 1.936 -0.768 344 H ASP 46 H ASP 46 -16.861 0.613 4.207 345 HA ASP 46 HA ASP 46 -14.363 2.143 4.369 346 HB2 ASP 46 HB2 ASP 46 -15.820 2.377 6.310 347 HB3 ASP 46 HB3 ASP 46 -15.898 0.634 6.491 348 H PHE 47 H PHE 47 -12.705 1.097 3.506 349 HA PHE 47 HA PHE 47 -12.552 -1.818 3.842 350 HB2 PHE 47 HB2 PHE 47 -11.280 0.033 1.826 351 HB3 PHE 47 HB3 PHE 47 -10.820 -1.656 2.004 352 HD1 PHE 47 HD1 PHE 47 -13.643 0.594 1.157 353 HD2 PHE 47 HD2 PHE 47 -12.098 -3.372 1.045 354 HE1 PHE 47 HE1 PHE 47 -15.474 -0.076 -0.342 355 HE2 PHE 47 HE2 PHE 47 -13.922 -4.045 -0.459 356 HZ PHE 47 HZ PHE 47 -15.612 -2.398 -1.154 357 H THR 48 H THR 48 -10.938 -2.694 5.002 358 HA THR 48 HA THR 48 -9.108 -0.831 6.300 359 HB THR 48 HB THR 48 -8.579 -2.731 7.814 360 HG1 THR 48 HG1 THR 48 -9.644 -4.655 7.591 361 HG21 THR 48 HG21 THR 48 -11.550 -2.269 7.576 362 HG22 THR 48 HG22 THR 48 -10.424 -1.112 8.284 363 HG23 THR 48 HG23 THR 48 -10.648 -2.691 9.031 364 H TRP 49 H TRP 49 -6.969 -0.822 5.985 365 HA TRP 49 HA TRP 49 -5.871 -2.860 4.165 366 HB2 TRP 49 HB2 TRP 49 -5.877 -0.059 3.892 367 HB3 TRP 49 HB3 TRP 49 -4.234 -0.483 4.363 368 HD1 TRP 49 HD1 TRP 49 -2.692 -1.094 2.422 369 HE1 TRP 49 HE1 TRP 49 -3.000 -1.856 -0.022 370 HE3 TRP 49 HE3 TRP 49 -7.785 -1.577 2.360 371 HZ2 TRP 49 HZ2 TRP 49 -5.121 -2.585 -1.732 372 HZ3 TRP 49 HZ3 TRP 49 -8.876 -2.318 0.280 373 HH2 TRP 49 HH2 TRP 49 -7.567 -2.808 -1.723 374 H THR 50 H THR 50 -4.955 -4.298 5.483 375 HA THR 50 HA THR 50 -3.344 -3.320 7.737 376 HB THR 50 HB THR 50 -4.080 -6.192 7.294 377 HG1 THR 50 HG1 THR 50 -6.073 -5.215 7.219 378 HG21 THR 50 HG21 THR 50 -4.030 -6.213 9.772 379 HG22 THR 50 HG22 THR 50 -3.564 -4.511 9.751 380 HG23 THR 50 HG23 THR 50 -2.492 -5.727 9.059 381 H GLN 51 H GLN 51 -1.200 -3.302 7.472 382 HA GLN 51 HA GLN 51 -0.035 -5.045 5.395 383 HB2 GLN 51 HB2 GLN 51 0.580 -2.305 6.350 384 HB3 GLN 51 HB3 GLN 51 1.962 -3.321 5.978 385 HG2 GLN 51 HG2 GLN 51 1.478 -2.076 4.034 386 HG3 GLN 51 HG3 GLN 51 0.948 -3.728 3.731 387 HE21 GLN 51 HE21 GLN 51 -1.164 -4.111 3.274 388 HE22 GLN 51 HE22 GLN 51 -2.368 -2.873 3.180 389 H HIS 52 H HIS 52 0.938 -6.787 6.173 390 HA HIS 52 HA HIS 52 2.084 -6.658 8.877 391 HB2 HIS 52 HB2 HIS 52 1.357 -9.085 7.219 392 HB3 HIS 52 HB3 HIS 52 2.004 -9.121 8.853 393 HD2 HIS 52 HD2 HIS 52 -1.332 -8.809 7.011 394 HE1 HIS 52 HE1 HIS 52 -2.056 -8.197 11.132 395 HE2 HIS 52 HE2 HIS 52 -3.099 -8.823 8.914 396 H PHE 53 H PHE 53 4.200 -7.008 9.213 397 HA PHE 53 HA PHE 53 5.832 -7.377 6.794 398 HB2 PHE 53 HB2 PHE 53 5.982 -5.227 8.254 399 HB3 PHE 53 HB3 PHE 53 6.879 -6.249 9.377 400 HD1 PHE 53 HD1 PHE 53 6.806 -5.654 5.699 401 HD2 PHE 53 HD2 PHE 53 9.124 -6.075 9.226 402 HE1 PHE 53 HE1 PHE 53 8.864 -5.291 4.389 403 HE2 PHE 53 HE2 PHE 53 11.180 -5.716 7.941 404 HZ PHE 53 HZ PHE 53 11.057 -5.326 5.512 405 HA PRO 54 HA PRO 54 7.006 -11.317 8.488 406 HB2 PRO 54 HB2 PRO 54 9.309 -11.640 7.016 407 HB3 PRO 54 HB3 PRO 54 7.684 -11.957 6.379 408 HG2 PRO 54 HG2 PRO 54 9.411 -9.560 6.020 409 HG3 PRO 54 HG3 PRO 54 8.380 -10.400 4.845 410 HD2 PRO 54 HD2 PRO 54 7.605 -8.113 6.018 411 HD3 PRO 54 HD3 PRO 54 6.450 -9.400 5.611 412 H GLY 55 H GLY 55 7.750 -11.307 10.513 413 HA2 GLY 55 HA2 GLY 55 9.227 -11.156 12.263 414 HA3 GLY 55 HA3 GLY 55 10.503 -10.958 11.077 415 H GLY 56 H GLY 56 7.836 -8.709 11.109 416 HA2 GLY 56 HA2 GLY 56 9.394 -6.801 12.688 417 HA3 GLY 56 HA3 GLY 56 9.063 -6.382 11.020 418 H ARG 57 H ARG 57 8.170 -4.528 12.269 419 HA ARG 57 HA ARG 57 5.836 -4.703 13.800 420 HB2 ARG 57 HB2 ARG 57 5.544 -2.255 13.159 421 HB3 ARG 57 HB3 ARG 57 7.027 -2.685 13.994 422 HG2 ARG 57 HG2 ARG 57 7.743 -1.237 12.333 423 HG3 ARG 57 HG3 ARG 57 8.062 -2.815 11.635 424 HD2 ARG 57 HD2 ARG 57 5.572 -2.405 10.714 425 HD3 ARG 57 HD3 ARG 57 6.145 -0.735 10.805 426 HE ARG 57 HE ARG 57 8.143 -1.666 9.515 427 HH11 ARG 57 HH11 ARG 57 4.821 -2.782 9.178 428 HH12 ARG 57 HH12 ARG 57 5.061 -3.342 7.483 429 HH21 ARG 57 HH21 ARG 57 8.495 -2.397 7.382 430 HH22 ARG 57 HH22 ARG 57 7.121 -3.119 6.470 431 H THR 58 H THR 58 3.701 -4.309 13.362 432 HA THR 58 HA THR 58 2.920 -4.785 10.575 433 HB THR 58 HB THR 58 2.099 -6.419 12.290 434 HG1 THR 58 HG1 THR 58 0.514 -6.647 10.912 435 HG21 THR 58 HG21 THR 58 0.512 -4.044 13.241 436 HG22 THR 58 HG22 THR 58 1.740 -4.918 14.157 437 HG23 THR 58 HG23 THR 58 0.223 -5.711 13.729 438 H THR 59 H THR 59 0.956 -3.620 9.857 439 HA THR 59 HA THR 59 0.580 -1.032 11.168 440 HB THR 59 HB THR 59 0.616 -0.471 8.399 441 HG1 THR 59 HG1 THR 59 1.968 -2.557 8.538 442 HG21 THR 59 HG21 THR 59 2.368 1.047 8.973 443 HG22 THR 59 HG22 THR 59 2.807 0.105 10.398 444 HG23 THR 59 HG23 THR 59 1.272 0.978 10.353 445 H THR 60 H THR 60 -1.544 -0.461 11.215 446 HA THR 60 HA THR 60 -3.314 -1.716 9.231 447 HB THR 60 HB THR 60 -4.165 -1.540 12.109 448 HG1 THR 60 HG1 THR 60 -2.497 -2.925 12.329 449 HG21 THR 60 HG21 THR 60 -5.054 -3.206 9.744 450 HG22 THR 60 HG22 THR 60 -5.929 -1.863 10.480 451 HG23 THR 60 HG23 THR 60 -5.699 -3.362 11.380 452 H ASN 61 H ASN 61 -4.673 -0.341 8.313 453 HA ASN 61 HA ASN 61 -5.632 1.983 9.807 454 HB2 ASN 61 HB2 ASN 61 -5.129 3.555 8.074 455 HB3 ASN 61 HB3 ASN 61 -3.639 2.670 8.381 456 HD21 ASN 61 HD21 ASN 61 -2.977 1.085 6.865 457 HD22 ASN 61 HD22 ASN 61 -3.521 1.149 5.230 458 H SER 62 H SER 62 -7.698 2.571 9.293 459 HA SER 62 HA SER 62 -9.041 0.922 7.260 460 HB2 SER 62 HB2 SER 62 -11.067 1.051 8.658 461 HB3 SER 62 HB3 SER 62 -9.728 0.335 9.555 462 HG SER 62 HG SER 62 -9.778 3.030 9.832 463 H PHE 63 H PHE 63 -9.972 2.039 5.635 464 HA PHE 63 HA PHE 63 -10.465 4.889 6.122 465 HB2 PHE 63 HB2 PHE 63 -9.890 5.331 3.760 466 HB3 PHE 63 HB3 PHE 63 -8.527 4.719 4.700 467 HD1 PHE 63 HD1 PHE 63 -10.992 3.904 2.094 468 HD2 PHE 63 HD2 PHE 63 -7.513 2.615 4.187 469 HE1 PHE 63 HE1 PHE 63 -10.651 2.124 0.434 470 HE2 PHE 63 HE2 PHE 63 -7.168 0.838 2.524 471 HZ PHE 63 HZ PHE 63 -8.739 0.593 0.644 472 H THR 64 H THR 64 -12.203 5.834 5.150 473 HA THR 64 HA THR 64 -14.209 3.961 4.112 474 HB THR 64 HB THR 64 -14.555 6.545 5.640 475 HG1 THR 64 HG1 THR 64 -14.272 4.022 6.434 476 HG21 THR 64 HG21 THR 64 -16.979 6.029 5.562 477 HG22 THR 64 HG22 THR 64 -16.638 4.723 4.423 478 HG23 THR 64 HG23 THR 64 -16.304 6.398 3.975 479 H ILE 65 H ILE 65 -14.773 4.214 2.036 480 HA ILE 65 HA ILE 65 -13.623 6.035 0.310 481 HB ILE 65 HB ILE 65 -16.340 4.744 -0.001 482 HG12 ILE 65 HG12 ILE 65 -14.552 3.098 0.424 483 HG13 ILE 65 HG13 ILE 65 -15.152 2.985 -1.227 484 HG21 ILE 65 HG21 ILE 65 -14.481 5.715 -2.158 485 HG22 ILE 65 HG22 ILE 65 -15.827 6.660 -1.524 486 HG23 ILE 65 HG23 ILE 65 -16.135 5.124 -2.340 487 HD11 ILE 65 HD11 ILE 65 -12.585 4.236 -0.303 488 HD12 ILE 65 HD12 ILE 65 -13.201 4.341 -1.951 489 HD13 ILE 65 HD13 ILE 65 -12.783 2.770 -1.264 490 H ASP 66 H ASP 66 -13.884 8.095 -0.118 491 HA ASP 66 HA ASP 66 -14.734 10.188 -0.336 492 HB2 ASP 66 HB2 ASP 66 -16.868 8.956 -1.020 493 HB3 ASP 66 HB3 ASP 66 -17.420 9.188 0.632 494 H LYS 67 H LYS 67 -13.844 8.786 2.180 495 HA LYS 67 HA LYS 67 -14.498 10.985 4.002 496 HB2 LYS 67 HB2 LYS 67 -15.928 9.225 4.727 497 HB3 LYS 67 HB3 LYS 67 -14.647 8.031 4.558 498 HG2 LYS 67 HG2 LYS 67 -15.021 8.447 6.879 499 HG3 LYS 67 HG3 LYS 67 -13.456 9.124 6.434 500 HD2 LYS 67 HD2 LYS 67 -14.701 11.341 6.139 501 HD3 LYS 67 HD3 LYS 67 -16.029 10.565 7.008 502 HE2 LYS 67 HE2 LYS 67 -14.529 10.106 8.883 503 HE3 LYS 67 HE3 LYS 67 -13.210 10.887 8.019 504 HZ1 LYS 67 HZ1 LYS 67 -14.721 12.914 7.983 505 HZ2 LYS 67 HZ2 LYS 67 -14.015 12.506 9.463 506 HZ3 LYS 67 HZ3 LYS 67 -15.635 12.120 9.168 507 H GLU 68 H GLU 68 -12.804 11.488 5.491 508 HA GLU 68 HA GLU 68 -10.184 10.729 4.610 509 HB2 GLU 68 HB2 GLU 68 -9.342 12.327 6.105 510 HB3 GLU 68 HB3 GLU 68 -10.879 13.005 5.589 511 HG2 GLU 68 HG2 GLU 68 -11.923 12.334 7.647 512 HG3 GLU 68 HG3 GLU 68 -10.472 11.480 8.155 513 H ALA 69 H ALA 69 -8.619 9.592 5.866 514 HA ALA 69 HA ALA 69 -9.712 8.043 8.108 515 HB1 ALA 69 HB1 ALA 69 -8.085 6.791 5.923 516 HB2 ALA 69 HB2 ALA 69 -9.847 6.773 5.955 517 HB3 ALA 69 HB3 ALA 69 -8.933 5.989 7.243 518 H ASP 70 H ASP 70 -8.207 7.204 9.544 519 HA ASP 70 HA ASP 70 -5.772 8.748 9.760 520 HB2 ASP 70 HB2 ASP 70 -7.288 8.264 11.713 521 HB3 ASP 70 HB3 ASP 70 -6.823 6.571 11.584 522 H MET 71 H MET 71 -3.987 8.068 8.721 523 HA MET 71 HA MET 71 -3.621 5.155 8.451 524 HB2 MET 71 HB2 MET 71 -2.688 7.279 6.539 525 HB3 MET 71 HB3 MET 71 -2.520 5.539 6.339 526 HG2 MET 71 HG2 MET 71 -4.722 5.241 5.838 527 HG3 MET 71 HG3 MET 71 -5.234 6.667 6.738 528 HE1 MET 71 HE1 MET 71 -6.792 7.875 4.788 529 HE2 MET 71 HE2 MET 71 -6.639 6.156 4.431 530 HE3 MET 71 HE3 MET 71 -6.439 7.346 3.140 531 H GLU 72 H GLU 72 -1.336 4.528 8.043 532 HA GLU 72 HA GLU 72 0.750 6.248 9.033 533 HB2 GLU 72 HB2 GLU 72 0.129 5.426 11.165 534 HB3 GLU 72 HB3 GLU 72 -0.183 3.810 10.547 535 HG2 GLU 72 HG2 GLU 72 2.138 3.367 10.301 536 HG3 GLU 72 HG3 GLU 72 2.559 5.044 10.629 537 H THR 73 H THR 73 2.739 5.640 8.196 538 HA THR 73 HA THR 73 2.663 3.438 6.268 539 HB THR 73 HB THR 73 4.628 4.340 5.269 540 HG1 THR 73 HG1 THR 73 5.886 5.913 6.247 541 HG21 THR 73 HG21 THR 73 2.372 5.680 5.159 542 HG22 THR 73 HG22 THR 73 3.848 6.334 4.453 543 HG23 THR 73 HG23 THR 73 3.308 6.895 6.035 544 H MET 74 H MET 74 4.756 2.184 6.070 545 HA MET 74 HA MET 74 5.333 0.799 8.449 546 HB2 MET 74 HB2 MET 74 6.838 0.870 5.825 547 HB3 MET 74 HB3 MET 74 7.033 -0.343 7.083 548 HG2 MET 74 HG2 MET 74 4.663 -0.976 6.778 549 HG3 MET 74 HG3 MET 74 4.567 0.173 5.443 550 HE1 MET 74 HE1 MET 74 4.344 -3.040 3.551 551 HE2 MET 74 HE2 MET 74 3.493 -1.960 4.662 552 HE3 MET 74 HE3 MET 74 4.234 -3.441 5.264 553 H GLY 75 H GLY 75 6.458 3.744 7.195 554 HA2 GLY 75 HA2 GLY 75 9.102 3.609 8.399 555 HA3 GLY 75 HA3 GLY 75 8.429 4.955 7.492 556 H GLY 76 H GLY 76 5.987 4.279 9.441 557 HA2 GLY 76 HA2 GLY 76 5.382 4.839 11.628 558 HA3 GLY 76 HA3 GLY 76 7.010 5.445 11.902 559 H ARG 77 H ARG 77 4.432 6.212 9.569 560 HA ARG 77 HA ARG 77 4.718 9.021 10.368 561 HB2 ARG 77 HB2 ARG 77 3.795 8.062 7.665 562 HB3 ARG 77 HB3 ARG 77 4.166 9.709 8.139 563 HG2 ARG 77 HG2 ARG 77 6.496 9.137 8.334 564 HG3 ARG 77 HG3 ARG 77 6.132 7.454 7.940 565 HD2 ARG 77 HD2 ARG 77 6.700 8.214 5.879 566 HD3 ARG 77 HD3 ARG 77 4.977 8.550 5.854 567 HE ARG 77 HE ARG 77 5.662 10.873 6.589 568 HH11 ARG 77 HH11 ARG 77 7.726 8.799 4.622 569 HH12 ARG 77 HH12 ARG 77 8.530 10.191 3.811 570 HH21 ARG 77 HH21 ARG 77 6.681 12.657 5.605 571 HH22 ARG 77 HH22 ARG 77 7.948 12.349 4.363 572 H LYS 78 H LYS 78 2.983 9.889 11.291 573 HA LYS 78 HA LYS 78 0.416 8.525 10.983 574 HB2 LYS 78 HB2 LYS 78 1.360 10.650 12.900 575 HB3 LYS 78 HB3 LYS 78 -0.299 10.083 12.835 576 HG2 LYS 78 HG2 LYS 78 2.141 8.482 13.560 577 HG3 LYS 78 HG3 LYS 78 0.817 8.964 14.617 578 HD2 LYS 78 HD2 LYS 78 0.689 7.037 12.298 579 HD3 LYS 78 HD3 LYS 78 0.530 6.648 14.010 580 HE2 LYS 78 HE2 LYS 78 -1.511 8.036 14.107 581 HE3 LYS 78 HE3 LYS 78 -1.364 8.327 12.373 582 HZ1 LYS 78 HZ1 LYS 78 -1.500 5.878 12.085 583 HZ2 LYS 78 HZ2 LYS 78 -2.916 6.588 12.682 584 HZ3 LYS 78 HZ3 LYS 78 -1.880 5.744 13.729 585 H PHE 79 H PHE 79 -1.046 9.264 9.618 586 HA PHE 79 HA PHE 79 -1.333 12.105 9.143 587 HB2 PHE 79 HB2 PHE 79 -1.047 11.883 6.681 588 HB3 PHE 79 HB3 PHE 79 0.439 11.564 7.575 589 HD1 PHE 79 HD1 PHE 79 1.308 9.312 7.793 590 HD2 PHE 79 HD2 PHE 79 -2.110 10.140 5.409 591 HE1 PHE 79 HE1 PHE 79 1.557 7.137 6.700 592 HE2 PHE 79 HE2 PHE 79 -1.872 7.959 4.303 593 HZ PHE 79 HZ PHE 79 -0.032 6.447 4.945 594 H LYS 80 H LYS 80 -3.122 12.516 7.553 595 HA LYS 80 HA LYS 80 -5.105 10.359 7.487 596 HB2 LYS 80 HB2 LYS 80 -5.542 13.218 8.352 597 HB3 LYS 80 HB3 LYS 80 -6.850 12.126 7.924 598 HG2 LYS 80 HG2 LYS 80 -6.875 11.318 9.982 599 HG3 LYS 80 HG3 LYS 80 -5.190 10.837 9.840 600 HD2 LYS 80 HD2 LYS 80 -5.457 12.298 11.748 601 HD3 LYS 80 HD3 LYS 80 -4.516 13.114 10.500 602 HE2 LYS 80 HE2 LYS 80 -6.127 14.652 11.442 603 HE3 LYS 80 HE3 LYS 80 -6.547 14.301 9.769 604 HZ1 LYS 80 HZ1 LYS 80 -7.810 12.553 11.689 605 HZ2 LYS 80 HZ2 LYS 80 -8.479 13.386 10.366 606 HZ3 LYS 80 HZ3 LYS 80 -8.249 14.180 11.846 607 H ALA 81 H ALA 81 -6.203 10.205 5.615 608 HA ALA 81 HA ALA 81 -6.016 12.399 3.690 609 HB1 ALA 81 HB1 ALA 81 -5.196 10.966 1.925 610 HB2 ALA 81 HB2 ALA 81 -5.162 9.591 3.031 611 HB3 ALA 81 HB3 ALA 81 -4.073 10.951 3.286 612 H THR 82 H THR 82 -7.429 12.118 1.837 613 HA THR 82 HA THR 82 -9.880 10.713 2.605 614 HB THR 82 HB THR 82 -9.695 12.585 0.265 615 HG1 THR 82 HG1 THR 82 -9.134 13.232 2.835 616 HG21 THR 82 HG21 THR 82 -11.769 11.260 0.797 617 HG22 THR 82 HG22 THR 82 -11.999 13.007 0.759 618 HG23 THR 82 HG23 THR 82 -11.881 12.169 2.303 619 H VAL 83 H VAL 83 -10.613 8.990 1.495 620 HA VAL 83 HA VAL 83 -9.113 8.216 -0.916 621 HB VAL 83 HB VAL 83 -10.520 6.355 1.006 622 HG11 VAL 83 HG11 VAL 83 -9.066 4.666 -0.170 623 HG12 VAL 83 HG12 VAL 83 -8.720 5.919 -1.363 624 HG13 VAL 83 HG13 VAL 83 -10.375 5.359 -1.127 625 HG21 VAL 83 HG21 VAL 83 -7.591 7.038 0.816 626 HG22 VAL 83 HG22 VAL 83 -8.266 5.717 1.770 627 HG23 VAL 83 HG23 VAL 83 -8.672 7.388 2.164 628 H LYS 84 H LYS 84 -10.272 7.506 -2.683 629 HA LYS 84 HA LYS 84 -13.204 7.527 -2.460 630 HB2 LYS 84 HB2 LYS 84 -13.367 8.792 -4.554 631 HB3 LYS 84 HB3 LYS 84 -12.503 9.716 -3.334 632 HG2 LYS 84 HG2 LYS 84 -10.375 8.894 -4.374 633 HG3 LYS 84 HG3 LYS 84 -11.359 8.252 -5.688 634 HD2 LYS 84 HD2 LYS 84 -12.046 10.399 -6.363 635 HD3 LYS 84 HD3 LYS 84 -11.485 11.139 -4.860 636 HE2 LYS 84 HE2 LYS 84 -9.289 11.114 -5.504 637 HE3 LYS 84 HE3 LYS 84 -9.497 9.719 -6.558 638 HZ1 LYS 84 HZ1 LYS 84 -9.103 11.813 -7.757 639 HZ2 LYS 84 HZ2 LYS 84 -10.555 12.425 -7.145 640 HZ3 LYS 84 HZ3 LYS 84 -10.566 11.079 -8.178 641 H MET 85 H MET 85 -14.106 6.726 -4.697 642 HA MET 85 HA MET 85 -12.440 4.496 -5.642 643 HB2 MET 85 HB2 MET 85 -14.875 4.332 -4.172 644 HB3 MET 85 HB3 MET 85 -15.207 3.801 -5.812 645 HG2 MET 85 HG2 MET 85 -13.405 2.174 -5.655 646 HG3 MET 85 HG3 MET 85 -13.054 2.718 -4.015 647 HE1 MET 85 HE1 MET 85 -14.527 -0.638 -3.025 648 HE2 MET 85 HE2 MET 85 -13.534 0.693 -2.426 649 HE3 MET 85 HE3 MET 85 -13.176 -0.036 -3.993 650 H GLU 86 H GLU 86 -12.078 4.691 -7.748 651 HA GLU 86 HA GLU 86 -14.154 5.973 -9.413 652 HB2 GLU 86 HB2 GLU 86 -11.193 6.224 -9.927 653 HB3 GLU 86 HB3 GLU 86 -12.498 7.117 -10.689 654 HG2 GLU 86 HG2 GLU 86 -12.732 7.665 -7.964 655 HG3 GLU 86 HG3 GLU 86 -11.002 7.714 -8.308 656 H GLY 87 H GLY 87 -15.006 4.273 -10.475 657 HA2 GLY 87 HA2 GLY 87 -15.133 2.689 -12.146 658 HA3 GLY 87 HA3 GLY 87 -13.425 2.950 -12.469 659 H GLY 88 H GLY 88 -14.868 1.989 -9.390 660 HA2 GLY 88 HA2 GLY 88 -14.685 0.028 -8.182 661 HA3 GLY 88 HA3 GLY 88 -14.256 -0.782 -9.683 662 H LYS 89 H LYS 89 -12.497 1.981 -8.541 663 HA LYS 89 HA LYS 89 -10.301 0.245 -7.648 664 HB2 LYS 89 HB2 LYS 89 -9.876 2.755 -9.273 665 HB3 LYS 89 HB3 LYS 89 -8.669 1.572 -8.795 666 HG2 LYS 89 HG2 LYS 89 -10.010 -0.087 -10.207 667 HG3 LYS 89 HG3 LYS 89 -10.792 1.342 -10.892 668 HD2 LYS 89 HD2 LYS 89 -8.535 2.227 -11.458 669 HD3 LYS 89 HD3 LYS 89 -7.841 0.705 -10.896 670 HE2 LYS 89 HE2 LYS 89 -9.439 -0.405 -12.580 671 HE3 LYS 89 HE3 LYS 89 -9.596 1.206 -13.279 672 HZ1 LYS 89 HZ1 LYS 89 -7.125 -0.419 -13.014 673 HZ2 LYS 89 HZ2 LYS 89 -7.112 1.222 -13.435 674 HZ3 LYS 89 HZ3 LYS 89 -7.875 0.100 -14.442 675 H ILE 90 H ILE 90 -9.558 0.801 -5.700 676 HA ILE 90 HA ILE 90 -10.563 3.186 -4.427 677 HB ILE 90 HB ILE 90 -8.448 1.427 -3.222 678 HG12 ILE 90 HG12 ILE 90 -11.334 0.783 -3.723 679 HG13 ILE 90 HG13 ILE 90 -9.928 -0.273 -3.803 680 HG21 ILE 90 HG21 ILE 90 -9.296 2.178 -1.175 681 HG22 ILE 90 HG22 ILE 90 -10.800 2.743 -1.905 682 HG23 ILE 90 HG23 ILE 90 -9.292 3.605 -2.212 683 HD11 ILE 90 HD11 ILE 90 -9.798 -0.183 -1.324 684 HD12 ILE 90 HD12 ILE 90 -11.276 -0.920 -1.940 685 HD13 ILE 90 HD13 ILE 90 -11.307 0.733 -1.322 686 H VAL 91 H VAL 91 -9.658 5.068 -4.889 687 HA VAL 91 HA VAL 91 -6.739 5.169 -5.195 688 HB VAL 91 HB VAL 91 -7.751 5.734 -7.291 689 HG11 VAL 91 HG11 VAL 91 -9.534 7.480 -5.664 690 HG12 VAL 91 HG12 VAL 91 -9.959 6.242 -6.849 691 HG13 VAL 91 HG13 VAL 91 -9.273 7.776 -7.382 692 HG21 VAL 91 HG21 VAL 91 -7.023 8.075 -7.607 693 HG22 VAL 91 HG22 VAL 91 -5.839 7.110 -6.731 694 HG23 VAL 91 HG23 VAL 91 -6.874 8.240 -5.860 695 H ALA 92 H ALA 92 -5.605 6.523 -3.969 696 HA ALA 92 HA ALA 92 -7.090 8.247 -2.086 697 HB1 ALA 92 HB1 ALA 92 -5.369 7.847 -0.465 698 HB2 ALA 92 HB2 ALA 92 -4.391 6.978 -1.647 699 HB3 ALA 92 HB3 ALA 92 -5.916 6.290 -1.087 700 H ASP 93 H ASP 93 -6.361 10.350 -1.756 701 HA ASP 93 HA ASP 93 -4.462 11.304 -3.781 702 HB2 ASP 93 HB2 ASP 93 -6.550 12.424 -4.000 703 HB3 ASP 93 HB3 ASP 93 -6.648 12.729 -2.268 704 H PHE 94 H PHE 94 -2.541 11.911 -3.224 705 HA PHE 94 HA PHE 94 -2.018 13.035 -0.567 706 HB2 PHE 94 HB2 PHE 94 -0.560 10.760 -1.894 707 HB3 PHE 94 HB3 PHE 94 0.161 11.706 -0.598 708 HD1 PHE 94 HD1 PHE 94 -2.365 9.245 -1.497 709 HD2 PHE 94 HD2 PHE 94 -0.629 11.492 1.669 710 HE1 PHE 94 HE1 PHE 94 -3.460 7.775 0.147 711 HE2 PHE 94 HE2 PHE 94 -1.716 10.021 3.314 712 HZ PHE 94 HZ PHE 94 -3.128 8.156 2.549 713 HA PRO 95 HA PRO 95 0.368 15.964 -2.858 714 HB2 PRO 95 HB2 PRO 95 2.515 16.384 -1.189 715 HB3 PRO 95 HB3 PRO 95 0.909 17.089 -0.922 716 HG2 PRO 95 HG2 PRO 95 2.159 14.711 0.352 717 HG3 PRO 95 HG3 PRO 95 1.133 15.970 1.062 718 HD2 PRO 95 HD2 PRO 95 0.177 13.527 0.423 719 HD3 PRO 95 HD3 PRO 95 -0.814 14.997 0.331 720 H ASN 96 H ASN 96 1.279 15.203 -4.664 721 HA ASN 96 HA ASN 96 2.804 14.349 -6.111 722 HB2 ASN 96 HB2 ASN 96 4.415 15.670 -4.737 723 HB3 ASN 96 HB3 ASN 96 4.675 14.245 -3.734 724 HD21 ASN 96 HD21 ASN 96 6.704 13.719 -4.160 725 HD22 ASN 96 HD22 ASN 96 7.351 13.386 -5.733 726 H TYR 97 H TYR 97 1.203 12.615 -4.041 727 HA TYR 97 HA TYR 97 2.454 10.084 -4.882 728 HB2 TYR 97 HB2 TYR 97 2.968 10.694 -2.462 729 HB3 TYR 97 HB3 TYR 97 1.252 10.524 -2.138 730 HD1 TYR 97 HD1 TYR 97 0.294 8.132 -3.136 731 HD2 TYR 97 HD2 TYR 97 4.274 8.926 -1.859 732 HE1 TYR 97 HE1 TYR 97 0.631 5.729 -2.710 733 HE2 TYR 97 HE2 TYR 97 4.622 6.532 -1.428 734 HH TYR 97 HH TYR 97 2.467 4.123 -2.536 735 H HIS 98 H HIS 98 1.045 8.905 -5.942 736 HA HIS 98 HA HIS 98 -1.836 9.257 -5.432 737 HB2 HIS 98 HB2 HIS 98 -0.610 9.972 -7.748 738 HB3 HIS 98 HB3 HIS 98 -0.991 8.293 -8.108 739 HD1 HIS 98 HD1 HIS 98 -2.815 11.371 -6.803 740 HD2 HIS 98 HD2 HIS 98 -3.457 7.988 -9.135 741 HE1 HIS 98 HE1 HIS 98 -5.163 11.591 -7.678 742 HE2 HIS 98 HE2 HIS 98 -5.521 9.549 -9.119 743 H HIS 99 H HIS 99 -2.682 7.482 -4.562 744 HA HIS 99 HA HIS 99 -1.399 4.891 -5.145 745 HB2 HIS 99 HB2 HIS 99 -1.449 5.852 -2.743 746 HB3 HIS 99 HB3 HIS 99 -3.159 5.444 -2.762 747 HD2 HIS 99 HD2 HIS 99 -3.546 2.556 -3.378 748 HE1 HIS 99 HE1 HIS 99 0.059 1.649 -1.365 749 HE2 HIS 99 HE2 HIS 99 -2.194 0.745 -2.096 750 H THR 100 H THR 100 -2.561 3.405 -6.188 751 HA THR 100 HA THR 100 -5.496 3.566 -6.104 752 HB THR 100 HB THR 100 -5.577 2.942 -8.517 753 HG1 THR 100 HG1 THR 100 -3.314 2.179 -8.504 754 HG21 THR 100 HG21 THR 100 -5.164 5.145 -9.392 755 HG22 THR 100 HG22 THR 100 -4.074 5.522 -8.056 756 HG23 THR 100 HG23 THR 100 -5.798 5.310 -7.756 757 H ALA 101 H ALA 101 -6.439 1.658 -5.694 758 HA ALA 101 HA ALA 101 -4.808 -0.784 -5.968 759 HB1 ALA 101 HB1 ALA 101 -5.240 -0.154 -3.625 760 HB2 ALA 101 HB2 ALA 101 -5.981 -1.697 -4.047 761 HB3 ALA 101 HB3 ALA 101 -6.972 -0.243 -3.938 762 H GLU 102 H GLU 102 -5.693 -2.506 -7.034 763 HA GLU 102 HA GLU 102 -8.526 -2.590 -7.589 764 HB2 GLU 102 HB2 GLU 102 -8.275 -2.633 -10.031 765 HB3 GLU 102 HB3 GLU 102 -7.732 -1.094 -9.366 766 HG2 GLU 102 HG2 GLU 102 -5.389 -2.142 -9.410 767 HG3 GLU 102 HG3 GLU 102 -6.107 -3.344 -10.476 768 H ILE 103 H ILE 103 -8.911 -4.500 -9.206 769 HA ILE 103 HA ILE 103 -7.194 -6.741 -8.378 770 HB ILE 103 HB ILE 103 -10.163 -6.821 -8.943 771 HG12 ILE 103 HG12 ILE 103 -9.595 -5.668 -6.811 772 HG13 ILE 103 HG13 ILE 103 -10.494 -7.160 -6.567 773 HG21 ILE 103 HG21 ILE 103 -10.019 -9.123 -8.067 774 HG22 ILE 103 HG22 ILE 103 -8.263 -8.962 -8.004 775 HG23 ILE 103 HG23 ILE 103 -9.102 -8.889 -9.554 776 HD11 ILE 103 HD11 ILE 103 -7.502 -6.971 -6.327 777 HD12 ILE 103 HD12 ILE 103 -8.544 -8.308 -5.842 778 HD13 ILE 103 HD13 ILE 103 -8.615 -6.775 -4.975 779 H SER 104 H SER 104 -6.110 -7.521 -10.031 780 HA SER 104 HA SER 104 -7.408 -7.587 -12.669 781 HB2 SER 104 HB2 SER 104 -4.499 -6.960 -12.145 782 HB3 SER 104 HB3 SER 104 -5.299 -6.988 -13.716 783 HG SER 104 HG SER 104 -4.988 -4.895 -12.396 784 H GLY 105 H GLY 105 -7.815 -9.665 -13.004 785 HA2 GLY 105 HA2 GLY 105 -7.317 -11.850 -13.568 786 HA3 GLY 105 HA3 GLY 105 -5.631 -11.531 -13.196 787 H GLY 106 H GLY 106 -8.201 -10.867 -10.933 788 HA2 GLY 106 HA2 GLY 106 -8.833 -11.927 -8.978 789 HA3 GLY 106 HA3 GLY 106 -7.953 -13.348 -9.518 790 H LYS 107 H LYS 107 -6.294 -10.327 -9.436 791 HA LYS 107 HA LYS 107 -5.034 -11.001 -6.871 792 HB2 LYS 107 HB2 LYS 107 -3.736 -10.692 -9.531 793 HB3 LYS 107 HB3 LYS 107 -2.898 -10.023 -8.141 794 HG2 LYS 107 HG2 LYS 107 -2.286 -12.032 -7.393 795 HG3 LYS 107 HG3 LYS 107 -3.865 -12.745 -7.722 796 HD2 LYS 107 HD2 LYS 107 -3.310 -13.099 -10.011 797 HD3 LYS 107 HD3 LYS 107 -1.836 -12.143 -9.863 798 HE2 LYS 107 HE2 LYS 107 -0.784 -13.789 -8.546 799 HE3 LYS 107 HE3 LYS 107 -2.305 -14.638 -8.262 800 HZ1 LYS 107 HZ1 LYS 107 -0.828 -15.713 -9.927 801 HZ2 LYS 107 HZ2 LYS 107 -1.043 -14.367 -10.931 802 HZ3 LYS 107 HZ3 LYS 107 -2.370 -15.331 -10.516 803 H LEU 108 H LEU 108 -4.130 -9.272 -5.772 804 HA LEU 108 HA LEU 108 -5.416 -6.724 -6.339 805 HB2 LEU 108 HB2 LEU 108 -5.535 -7.751 -4.094 806 HB3 LEU 108 HB3 LEU 108 -3.792 -7.681 -3.976 807 HG LEU 108 HG LEU 108 -5.238 -5.930 -2.745 808 HD11 LEU 108 HD11 LEU 108 -2.859 -5.121 -4.394 809 HD12 LEU 108 HD12 LEU 108 -2.833 -5.861 -2.793 810 HD13 LEU 108 HD13 LEU 108 -3.492 -4.240 -3.004 811 HD21 LEU 108 HD21 LEU 108 -5.155 -4.681 -5.488 812 HD22 LEU 108 HD22 LEU 108 -5.704 -3.903 -4.004 813 HD23 LEU 108 HD23 LEU 108 -6.601 -5.267 -4.666 814 H VAL 109 H VAL 109 -4.384 -5.178 -7.387 815 HA VAL 109 HA VAL 109 -1.450 -5.116 -7.195 816 HB VAL 109 HB VAL 109 -1.866 -5.808 -9.416 817 HG11 VAL 109 HG11 VAL 109 -4.274 -5.256 -9.450 818 HG12 VAL 109 HG12 VAL 109 -3.433 -4.791 -10.931 819 HG13 VAL 109 HG13 VAL 109 -3.853 -3.566 -9.733 820 HG21 VAL 109 HG21 VAL 109 -0.169 -4.178 -9.426 821 HG22 VAL 109 HG22 VAL 109 -1.324 -2.857 -9.266 822 HG23 VAL 109 HG23 VAL 109 -1.225 -3.763 -10.777 823 H GLU 110 H GLU 110 -0.703 -3.349 -6.285 824 HA GLU 110 HA GLU 110 -2.434 -0.975 -6.185 825 HB2 GLU 110 HB2 GLU 110 -0.210 -1.883 -4.355 826 HB3 GLU 110 HB3 GLU 110 -0.990 -0.310 -4.237 827 HG2 GLU 110 HG2 GLU 110 -3.037 -1.253 -3.596 828 HG3 GLU 110 HG3 GLU 110 -2.537 -2.871 -4.092 829 H ILE 111 H ILE 111 -1.760 0.888 -7.009 830 HA ILE 111 HA ILE 111 0.978 0.993 -8.091 831 HB ILE 111 HB ILE 111 -1.525 2.289 -9.193 832 HG12 ILE 111 HG12 ILE 111 -0.447 0.802 -11.212 833 HG13 ILE 111 HG13 ILE 111 -0.058 -0.191 -9.813 834 HG21 ILE 111 HG21 ILE 111 1.303 2.404 -10.241 835 HG22 ILE 111 HG22 ILE 111 0.445 3.726 -9.446 836 HG23 ILE 111 HG23 ILE 111 -0.124 3.116 -10.999 837 HD11 ILE 111 HD11 ILE 111 -2.145 -0.905 -10.770 838 HD12 ILE 111 HD12 ILE 111 -2.792 0.731 -10.659 839 HD13 ILE 111 HD13 ILE 111 -2.445 -0.179 -9.190 840 H SER 112 H SER 112 2.227 2.612 -7.434 841 HA SER 112 HA SER 112 0.982 4.891 -6.036 842 HB2 SER 112 HB2 SER 112 3.596 3.588 -5.260 843 HB3 SER 112 HB3 SER 112 2.755 4.883 -4.405 844 HG SER 112 HG SER 112 1.075 2.844 -4.694 845 H THR 113 H THR 113 1.331 6.664 -7.157 846 HA THR 113 HA THR 113 3.755 6.851 -8.805 847 HB THR 113 HB THR 113 1.729 8.998 -8.945 848 HG1 THR 113 HG1 THR 113 1.187 6.284 -9.526 849 HG21 THR 113 HG21 THR 113 3.623 8.945 -10.472 850 HG22 THR 113 HG22 THR 113 2.128 8.673 -11.373 851 HG23 THR 113 HG23 THR 113 3.193 7.319 -10.989 852 H SER 114 H SER 114 5.371 8.194 -8.273 853 HA SER 114 HA SER 114 4.852 10.498 -6.577 854 HB2 SER 114 HB2 SER 114 6.854 8.341 -5.868 855 HB3 SER 114 HB3 SER 114 6.794 9.930 -5.103 856 HG SER 114 HG SER 114 4.349 8.977 -5.023 857 H SER 115 H SER 115 5.650 12.125 -7.645 858 HA SER 115 HA SER 115 6.933 13.436 -8.961 859 HB2 SER 115 HB2 SER 115 9.194 11.580 -8.196 860 HB3 SER 115 HB3 SER 115 9.338 13.239 -8.775 861 HG SER 115 HG SER 115 9.479 13.384 -6.595 862 H GLY 116 H GLY 116 5.651 11.013 -10.112 863 HA2 GLY 116 HA2 GLY 116 5.481 10.607 -12.449 864 HA3 GLY 116 HA3 GLY 116 7.179 11.027 -12.617 865 H VAL 117 H VAL 117 7.364 9.182 -10.030 866 HA VAL 117 HA VAL 117 8.065 6.839 -11.591 867 HB VAL 117 HB VAL 117 8.341 7.307 -8.613 868 HG11 VAL 117 HG11 VAL 117 9.963 5.412 -8.769 869 HG12 VAL 117 HG12 VAL 117 9.401 5.136 -10.417 870 HG13 VAL 117 HG13 VAL 117 8.284 4.956 -9.063 871 HG21 VAL 117 HG21 VAL 117 10.276 7.664 -10.894 872 HG22 VAL 117 HG22 VAL 117 10.773 7.558 -9.206 873 HG23 VAL 117 HG23 VAL 117 9.729 8.877 -9.735 874 H VAL 118 H VAL 118 6.614 5.327 -11.999 875 HA VAL 118 HA VAL 118 4.281 5.019 -10.275 876 HB VAL 118 HB VAL 118 4.914 3.795 -12.967 877 HG11 VAL 118 HG11 VAL 118 2.771 2.831 -12.974 878 HG12 VAL 118 HG12 VAL 118 2.252 3.772 -11.575 879 HG13 VAL 118 HG13 VAL 118 3.422 2.469 -11.375 880 HG21 VAL 118 HG21 VAL 118 2.829 5.855 -12.310 881 HG22 VAL 118 HG22 VAL 118 3.407 5.356 -13.900 882 HG23 VAL 118 HG23 VAL 118 4.458 6.284 -12.827 883 H TYR 119 H TYR 119 4.699 3.784 -8.583 884 HA TYR 119 HA TYR 119 6.336 1.372 -8.855 885 HB2 TYR 119 HB2 TYR 119 6.950 2.602 -6.940 886 HB3 TYR 119 HB3 TYR 119 5.283 2.954 -6.518 887 HD1 TYR 119 HD1 TYR 119 7.711 0.147 -6.765 888 HD2 TYR 119 HD2 TYR 119 4.184 1.659 -4.935 889 HE1 TYR 119 HE1 TYR 119 7.699 -1.760 -5.221 890 HE2 TYR 119 HE2 TYR 119 4.162 -0.242 -3.384 891 HH TYR 119 HH TYR 119 6.238 -2.975 -3.816 892 H LYS 120 H LYS 120 5.445 -0.640 -8.910 893 HA LYS 120 HA LYS 120 2.590 -0.874 -8.275 894 HB2 LYS 120 HB2 LYS 120 4.066 -2.131 -10.581 895 HB3 LYS 120 HB3 LYS 120 2.379 -2.384 -10.183 896 HG2 LYS 120 HG2 LYS 120 1.784 -0.223 -10.785 897 HG3 LYS 120 HG3 LYS 120 3.452 0.343 -10.712 898 HD2 LYS 120 HD2 LYS 120 2.979 0.193 -13.001 899 HD3 LYS 120 HD3 LYS 120 3.902 -1.262 -12.631 900 HE2 LYS 120 HE2 LYS 120 1.831 -2.543 -12.481 901 HE3 LYS 120 HE3 LYS 120 0.901 -1.086 -12.830 902 HZ1 LYS 120 HZ1 LYS 120 2.948 -2.169 -14.669 903 HZ2 LYS 120 HZ2 LYS 120 1.785 -0.982 -14.997 904 HZ3 LYS 120 HZ3 LYS 120 1.314 -2.592 -14.764 905 H ARG 121 H ARG 121 1.920 -2.778 -7.403 906 HA ARG 121 HA ARG 121 3.828 -4.953 -7.073 907 HB2 ARG 121 HB2 ARG 121 3.454 -5.141 -4.665 908 HB3 ARG 121 HB3 ARG 121 4.166 -3.584 -5.062 909 HG2 ARG 121 HG2 ARG 121 2.046 -2.482 -4.773 910 HG3 ARG 121 HG3 ARG 121 1.234 -4.034 -4.539 911 HD2 ARG 121 HD2 ARG 121 2.473 -4.420 -2.505 912 HD3 ARG 121 HD3 ARG 121 3.420 -2.961 -2.766 913 HE ARG 121 HE ARG 121 0.523 -2.993 -2.165 914 HH11 ARG 121 HH11 ARG 121 3.720 -1.507 -1.995 915 HH12 ARG 121 HH12 ARG 121 3.136 -0.119 -1.005 916 HH21 ARG 121 HH21 ARG 121 -0.245 -1.247 -0.915 917 HH22 ARG 121 HH22 ARG 121 0.934 0.019 -0.389 918 H THR 122 H THR 122 2.907 -6.903 -7.066 919 HA THR 122 HA THR 122 -0.032 -7.001 -7.224 920 HB THR 122 HB THR 122 1.988 -8.853 -8.499 921 HG1 THR 122 HG1 THR 122 0.470 -6.673 -9.503 922 HG21 THR 122 HG21 THR 122 0.019 -9.701 -9.754 923 HG22 THR 122 HG22 THR 122 -1.018 -8.724 -8.715 924 HG23 THR 122 HG23 THR 122 -0.053 -10.032 -8.023 925 H SER 123 H SER 123 -0.981 -8.014 -5.584 926 HA SER 123 HA SER 123 0.568 -10.065 -4.139 927 HB2 SER 123 HB2 SER 123 -1.584 -8.257 -3.014 928 HB3 SER 123 HB3 SER 123 -0.596 -9.409 -2.111 929 HG SER 123 HG SER 123 -0.049 -6.877 -2.676 930 H LYS 124 H LYS 124 -0.303 -12.027 -3.947 931 HA LYS 124 HA LYS 124 -2.703 -12.635 -5.395 932 HB2 LYS 124 HB2 LYS 124 -2.234 -14.977 -4.671 933 HB3 LYS 124 HB3 LYS 124 -0.887 -14.210 -5.500 934 HG2 LYS 124 HG2 LYS 124 0.195 -13.774 -3.356 935 HG3 LYS 124 HG3 LYS 124 -1.161 -14.532 -2.518 936 HD2 LYS 124 HD2 LYS 124 -0.652 -16.655 -3.423 937 HD3 LYS 124 HD3 LYS 124 0.471 -15.963 -4.595 938 HE2 LYS 124 HE2 LYS 124 0.916 -15.734 -1.633 939 HE3 LYS 124 HE3 LYS 124 1.463 -17.136 -2.544 940 HZ1 LYS 124 HZ1 LYS 124 2.573 -15.381 -4.045 941 HZ2 LYS 124 HZ2 LYS 124 3.294 -15.766 -2.560 942 HZ3 LYS 124 HZ3 LYS 124 2.390 -14.345 -2.715 943 H LYS 125 H LYS 125 -4.485 -13.891 -4.457 944 HA LYS 125 HA LYS 125 -5.231 -12.755 -1.860 945 HB2 LYS 125 HB2 LYS 125 -6.624 -12.559 -4.101 946 HB3 LYS 125 HB3 LYS 125 -7.187 -14.160 -3.633 947 HG2 LYS 125 HG2 LYS 125 -7.311 -11.820 -1.757 948 HG3 LYS 125 HG3 LYS 125 -8.599 -12.170 -2.911 949 HD2 LYS 125 HD2 LYS 125 -7.723 -14.455 -1.280 950 HD3 LYS 125 HD3 LYS 125 -8.480 -13.145 -0.375 951 HE2 LYS 125 HE2 LYS 125 -10.076 -14.874 -1.098 952 HE3 LYS 125 HE3 LYS 125 -10.451 -13.279 -1.752 953 HZ1 LYS 125 HZ1 LYS 125 -10.700 -14.962 -3.440 954 HZ2 LYS 125 HZ2 LYS 125 -9.116 -15.502 -3.203 955 HZ3 LYS 125 HZ3 LYS 125 -9.397 -13.961 -3.845 956 H ILE 126 H ILE 126 -5.453 -13.956 -0.135 957 HA ILE 126 HA ILE 126 -6.055 -16.802 -0.316 958 HB ILE 126 HB ILE 126 -3.997 -16.297 1.709 959 HG12 ILE 126 HG12 ILE 126 -2.198 -16.643 -0.215 960 HG13 ILE 126 HG13 ILE 126 -3.379 -15.743 -1.164 961 HG21 ILE 126 HG21 ILE 126 -4.372 -18.365 -0.439 962 HG22 ILE 126 HG22 ILE 126 -4.808 -18.498 1.265 963 HG23 ILE 126 HG23 ILE 126 -3.109 -18.419 0.793 964 HD11 ILE 126 HD11 ILE 126 -3.246 -13.885 0.359 965 HD12 ILE 126 HD12 ILE 126 -1.623 -14.327 -0.172 966 HD13 ILE 126 HD13 ILE 126 -2.186 -14.800 1.429 967 H ALA 127 H ALA 127 -6.488 -17.660 1.980 968 HA ALA 127 HA ALA 127 -7.367 -15.514 3.769 969 HB1 ALA 127 HB1 ALA 127 -9.082 -17.853 2.929 970 HB2 ALA 127 HB2 ALA 127 -9.357 -16.153 2.548 971 HB3 ALA 127 HB3 ALA 127 -9.476 -16.713 4.215 972 H11 CHO 200 H11 CHO 200 6.666 0.224 -1.526 973 H12 CHO 200 H12 CHO 200 7.264 -0.972 -0.341 974 H21 CHO 200 H21 CHO 200 5.403 -0.427 1.172 975 H22 CHO 200 H22 CHO 200 4.791 -0.930 -0.427 976 H3 CHO 200 H3 CHO 200 4.494 1.436 -1.068 977 HO3 CHO 200 HO3 CHO 200 3.340 1.034 1.550 978 H41 CHO 200 H41 CHO 200 5.407 1.998 1.792 979 H42 CHO 200 H42 CHO 200 4.814 3.208 0.628 980 H5 CHO 200 H5 CHO 200 6.680 2.647 -0.902 981 H61 CHO 200 H61 CHO 200 6.911 4.436 0.834 982 H62 CHO 200 H62 CHO 200 8.467 3.669 0.437 983 H7 CHO 200 H7 CHO 200 8.237 3.905 2.868 984 HO7 CHO 200 HO7 CHO 200 6.506 2.593 3.900 985 H8 CHO 200 H8 CHO 200 9.423 1.943 2.027 986 H9 CHO 200 H9 CHO 200 6.702 0.581 2.176 987 H111 CHO 200 H111 CHO 200 9.385 -0.572 1.359 988 H112 CHO 200 H112 CHO 200 7.800 -1.416 1.406 989 H121 CHO 200 H121 CHO 200 9.227 -1.946 3.381 990 H122 CHO 200 H122 CHO 200 7.693 -1.171 3.825 991 H14 CHO 200 H14 CHO 200 7.572 1.357 4.301 992 H151 CHO 200 H151 CHO 200 8.940 3.220 5.065 993 H152 CHO 200 H152 CHO 200 10.363 2.677 4.252 994 H161 CHO 200 H161 CHO 200 9.143 1.702 6.829 995 H162 CHO 200 H162 CHO 200 10.816 1.571 6.334 996 H17 CHO 200 H17 CHO 200 8.615 -0.409 5.981 997 H181 CHO 200 H181 CHO 200 11.067 1.375 3.441 998 H182 CHO 200 H182 CHO 200 10.763 0.018 2.329 999 H183 CHO 200 H183 CHO 200 11.538 -0.278 3.904 1000 H191 CHO 200 H191 CHO 200 9.165 2.289 -0.416 1001 H192 CHO 200 H192 CHO 200 8.865 0.842 -1.408 1002 H193 CHO 200 H193 CHO 200 9.635 0.683 0.188 1003 H20 CHO 200 H20 CHO 200 11.551 -0.665 5.516 1004 H211 CHO 200 H211 CHO 200 10.148 -3.035 6.400 1005 H212 CHO 200 H212 CHO 200 11.122 -2.785 4.931 1006 H213 CHO 200 H213 CHO 200 9.386 -2.393 4.926 1007 H221 CHO 200 H221 CHO 200 9.841 -1.168 7.982 1008 H222 CHO 200 H222 CHO 200 11.107 0.077 7.790 1009 H231 CHO 200 H231 CHO 200 12.776 -1.738 7.404 1010 H232 CHO 200 H232 CHO 200 11.484 -2.934 7.745 1011 HN CHO 200 HN CHO 200 11.804 -3.829 9.697 1012 H261 CHO 200 H261 CHO 200 12.925 -2.194 11.872 1013 H262 CHO 200 H262 CHO 200 12.772 -3.972 11.808 1014 H11 CHO 201 H11 CHO 201 -6.444 4.299 0.423 1015 H12 CHO 201 H12 CHO 201 -5.093 5.253 -0.254 1016 H21 CHO 201 H21 CHO 201 -4.076 3.214 -1.159 1017 H22 CHO 201 H22 CHO 201 -5.756 3.385 -1.744 1018 H3 CHO 201 H3 CHO 201 -6.531 1.788 -0.041 1019 HO3 CHO 201 HO3 CHO 201 -5.664 1.042 -2.135 1020 H41 CHO 201 H41 CHO 201 -3.573 1.576 0.685 1021 H42 CHO 201 H42 CHO 201 -4.889 0.589 1.364 1022 H5 CHO 201 H5 CHO 201 -5.974 2.638 2.226 1023 H61 CHO 201 H61 CHO 201 -4.349 1.370 3.626 1024 H62 CHO 201 H62 CHO 201 -4.389 3.108 4.023 1025 H7 CHO 201 H7 CHO 201 -2.080 2.367 3.924 1026 HO7 CHO 201 HO7 CHO 201 -1.256 1.502 1.883 1027 H8 CHO 201 H8 CHO 201 -2.496 4.599 3.115 1028 H9 CHO 201 H9 CHO 201 -2.838 3.288 0.376 1029 H111 CHO 201 H111 CHO 201 -2.986 6.219 1.114 1030 H112 CHO 201 H112 CHO 201 -3.193 5.473 -0.510 1031 H121 CHO 201 H121 CHO 201 -0.939 6.500 -0.200 1032 H122 CHO 201 H122 CHO 201 -0.868 4.760 -0.530 1033 H14 CHO 201 H14 CHO 201 -0.637 3.055 1.350 1034 H151 CHO 201 H151 CHO 201 0.218 2.845 3.666 1035 H152 CHO 201 H152 CHO 201 -0.088 4.480 4.063 1036 H161 CHO 201 H161 CHO 201 1.938 3.317 2.063 1037 H162 CHO 201 H162 CHO 201 2.225 4.616 3.196 1038 H17 CHO 201 H17 CHO 201 1.406 4.888 0.436 1039 H181 CHO 201 H181 CHO 201 -0.834 7.329 2.120 1040 H182 CHO 201 H182 CHO 201 -0.191 6.290 3.415 1041 H183 CHO 201 H183 CHO 201 -1.884 6.119 2.894 1042 H191 CHO 201 H191 CHO 201 -4.766 6.081 2.054 1043 H192 CHO 201 H192 CHO 201 -4.182 4.981 3.325 1044 H193 CHO 201 H193 CHO 201 -5.895 4.955 2.843 1045 H20 CHO 201 H20 CHO 201 1.434 6.942 2.626 1046 H211 CHO 201 H211 CHO 201 1.043 7.062 -0.328 1047 H212 CHO 201 H212 CHO 201 2.073 8.306 0.420 1048 H213 CHO 201 H213 CHO 201 0.390 8.099 0.962 1049 H221 CHO 201 H221 CHO 201 3.581 6.074 0.654 1050 H222 CHO 201 H222 CHO 201 3.553 5.717 2.409 1051 H231 CHO 201 H231 CHO 201 3.561 8.162 2.868 1052 H232 CHO 201 H232 CHO 201 3.723 8.449 1.105 1053 HN CHO 201 HN CHO 201 5.251 5.666 2.652 1054 H261 CHO 201 H261 CHO 201 7.863 6.483 1.748 1055 H262 CHO 201 H262 CHO 201 7.427 5.011 2.648 Start of MODEL 11 1 H ALA 1 H ALA 1 -15.885 -8.071 -4.431 2 HA ALA 1 HA ALA 1 -14.094 -9.623 -4.044 3 HB1 ALA 1 HB1 ALA 1 -13.073 -9.478 -6.210 4 HB2 ALA 1 HB2 ALA 1 -13.449 -7.762 -6.324 5 HB3 ALA 1 HB3 ALA 1 -14.748 -8.950 -6.346 6 H PHE 2 H PHE 2 -13.450 -6.595 -2.941 7 HA PHE 2 HA PHE 2 -10.585 -6.632 -3.137 8 HB2 PHE 2 HB2 PHE 2 -12.635 -4.833 -1.989 9 HB3 PHE 2 HB3 PHE 2 -11.050 -4.791 -1.224 10 HD1 PHE 2 HD1 PHE 2 -9.023 -4.408 -2.748 11 HD2 PHE 2 HD2 PHE 2 -13.035 -3.632 -3.933 12 HE1 PHE 2 HE1 PHE 2 -8.207 -2.902 -4.515 13 HE2 PHE 2 HE2 PHE 2 -12.224 -2.130 -5.705 14 HZ PHE 2 HZ PHE 2 -9.811 -1.760 -5.996 15 H THR 3 H THR 3 -12.940 -7.803 -0.879 16 HA THR 3 HA THR 3 -11.415 -7.877 1.459 17 HB THR 3 HB THR 3 -13.297 -10.113 0.993 18 HG1 THR 3 HG1 THR 3 -15.035 -8.458 1.360 19 HG21 THR 3 HG21 THR 3 -12.901 -8.042 3.150 20 HG22 THR 3 HG22 THR 3 -12.358 -9.720 3.181 21 HG23 THR 3 HG23 THR 3 -14.085 -9.352 3.218 22 H GLY 4 H GLY 4 -10.049 -9.316 2.351 23 HA2 GLY 4 HA2 GLY 4 -9.476 -11.814 2.211 24 HA3 GLY 4 HA3 GLY 4 -9.082 -11.421 0.550 25 H LYS 5 H LYS 5 -7.259 -12.558 2.250 26 HA LYS 5 HA LYS 5 -5.472 -10.390 3.041 27 HB2 LYS 5 HB2 LYS 5 -4.683 -11.828 4.580 28 HB3 LYS 5 HB3 LYS 5 -5.969 -12.927 4.106 29 HG2 LYS 5 HG2 LYS 5 -4.306 -13.719 2.313 30 HG3 LYS 5 HG3 LYS 5 -3.089 -12.929 3.314 31 HD2 LYS 5 HD2 LYS 5 -4.975 -15.119 4.174 32 HD3 LYS 5 HD3 LYS 5 -3.252 -15.292 3.864 33 HE2 LYS 5 HE2 LYS 5 -2.931 -14.897 6.022 34 HE3 LYS 5 HE3 LYS 5 -3.405 -13.232 5.702 35 HZ1 LYS 5 HZ1 LYS 5 -5.496 -13.555 6.537 36 HZ2 LYS 5 HZ2 LYS 5 -4.622 -14.638 7.507 37 HZ3 LYS 5 HZ3 LYS 5 -5.504 -15.221 6.188 38 H TYR 6 H TYR 6 -3.549 -9.982 2.003 39 HA TYR 6 HA TYR 6 -3.065 -11.488 -0.483 40 HB2 TYR 6 HB2 TYR 6 -2.851 -8.493 -0.087 41 HB3 TYR 6 HB3 TYR 6 -2.413 -9.355 -1.554 42 HD1 TYR 6 HD1 TYR 6 -5.183 -8.201 0.538 43 HD2 TYR 6 HD2 TYR 6 -4.115 -10.203 -3.057 44 HE1 TYR 6 HE1 TYR 6 -7.490 -7.960 -0.274 45 HE2 TYR 6 HE2 TYR 6 -6.420 -9.971 -3.878 46 HH TYR 6 HH TYR 6 -8.852 -8.175 -2.039 47 H GLU 7 H GLU 7 -0.929 -11.744 -1.116 48 HA GLU 7 HA GLU 7 1.097 -10.757 0.765 49 HB2 GLU 7 HB2 GLU 7 0.731 -13.576 -0.211 50 HB3 GLU 7 HB3 GLU 7 2.314 -12.990 0.283 51 HG2 GLU 7 HG2 GLU 7 1.228 -12.341 2.475 52 HG3 GLU 7 HG3 GLU 7 -0.173 -13.271 1.949 53 H PHE 8 H PHE 8 3.178 -10.500 -0.101 54 HA PHE 8 HA PHE 8 3.406 -9.212 -2.494 55 HB2 PHE 8 HB2 PHE 8 5.076 -9.358 -0.570 56 HB3 PHE 8 HB3 PHE 8 5.646 -10.848 -1.306 57 HD1 PHE 8 HD1 PHE 8 6.321 -10.629 -3.857 58 HD2 PHE 8 HD2 PHE 8 6.118 -7.384 -1.104 59 HE1 PHE 8 HE1 PHE 8 7.856 -9.333 -5.276 60 HE2 PHE 8 HE2 PHE 8 7.655 -6.086 -2.523 61 HZ PHE 8 HZ PHE 8 8.531 -7.059 -4.607 62 H GLU 9 H GLU 9 3.068 -9.864 -4.498 63 HA GLU 9 HA GLU 9 3.836 -12.606 -5.252 64 HB2 GLU 9 HB2 GLU 9 1.409 -12.150 -5.402 65 HB3 GLU 9 HB3 GLU 9 1.738 -10.831 -6.519 66 HG2 GLU 9 HG2 GLU 9 1.195 -12.491 -7.980 67 HG3 GLU 9 HG3 GLU 9 2.941 -12.703 -7.895 68 H SER 10 H SER 10 3.802 -9.213 -6.256 69 HA SER 10 HA SER 10 6.213 -9.641 -7.788 70 HB2 SER 10 HB2 SER 10 5.380 -9.446 -9.900 71 HB3 SER 10 HB3 SER 10 3.912 -10.049 -9.146 72 HG SER 10 HG SER 10 4.511 -7.515 -10.096 73 H ASP 11 H ASP 11 6.928 -7.524 -8.827 74 HA ASP 11 HA ASP 11 5.834 -5.093 -7.748 75 HB2 ASP 11 HB2 ASP 11 7.566 -4.428 -6.349 76 HB3 ASP 11 HB3 ASP 11 7.453 -6.143 -5.977 77 H GLU 12 H GLU 12 6.687 -3.237 -8.746 78 HA GLU 12 HA GLU 12 8.717 -3.577 -10.804 79 HB2 GLU 12 HB2 GLU 12 6.736 -4.116 -12.038 80 HB3 GLU 12 HB3 GLU 12 5.878 -2.741 -11.368 81 HG2 GLU 12 HG2 GLU 12 7.277 -1.211 -12.609 82 HG3 GLU 12 HG3 GLU 12 8.260 -2.554 -13.195 83 H ASN 13 H ASN 13 9.869 -1.790 -11.133 84 HA ASN 13 HA ASN 13 10.781 0.264 -10.800 85 HB2 ASN 13 HB2 ASN 13 7.863 0.897 -10.697 86 HB3 ASN 13 HB3 ASN 13 9.030 2.143 -10.269 87 HD21 ASN 13 HD21 ASN 13 7.239 2.250 -12.440 88 HD22 ASN 13 HD22 ASN 13 8.176 2.290 -13.895 89 H TYR 14 H TYR 14 10.601 -1.550 -8.603 90 HA TYR 14 HA TYR 14 9.789 -0.319 -6.214 91 HB2 TYR 14 HB2 TYR 14 10.263 -2.743 -6.441 92 HB3 TYR 14 HB3 TYR 14 11.980 -2.376 -6.578 93 HD1 TYR 14 HD1 TYR 14 9.101 -2.487 -4.303 94 HD2 TYR 14 HD2 TYR 14 13.272 -1.715 -4.641 95 HE1 TYR 14 HE1 TYR 14 9.306 -2.543 -1.848 96 HE2 TYR 14 HE2 TYR 14 13.485 -1.768 -2.189 97 HH TYR 14 HH TYR 14 12.433 -1.970 -0.261 98 H ASP 15 H ASP 15 13.102 -0.713 -7.481 99 HA ASP 15 HA ASP 15 14.350 0.843 -5.502 100 HB2 ASP 15 HB2 ASP 15 15.246 0.272 -8.310 101 HB3 ASP 15 HB3 ASP 15 16.250 1.039 -7.101 102 H ASP 16 H ASP 16 13.009 1.731 -8.635 103 HA ASP 16 HA ASP 16 14.003 4.368 -8.693 104 HB2 ASP 16 HB2 ASP 16 12.240 2.747 -10.256 105 HB3 ASP 16 HB3 ASP 16 11.494 4.323 -9.999 106 H PHE 17 H PHE 17 11.055 2.949 -7.415 107 HA PHE 17 HA PHE 17 9.802 5.357 -6.660 108 HB2 PHE 17 HB2 PHE 17 8.655 3.171 -6.877 109 HB3 PHE 17 HB3 PHE 17 9.501 2.606 -5.441 110 HD1 PHE 17 HD1 PHE 17 7.372 5.480 -6.498 111 HD2 PHE 17 HD2 PHE 17 8.363 2.675 -3.458 112 HE1 PHE 17 HE1 PHE 17 5.564 6.374 -5.089 113 HE2 PHE 17 HE2 PHE 17 6.557 3.558 -2.044 114 HZ PHE 17 HZ PHE 17 5.156 5.409 -2.861 115 H VAL 18 H VAL 18 11.662 2.997 -4.760 116 HA VAL 18 HA VAL 18 11.531 4.434 -2.349 117 HB VAL 18 HB VAL 18 13.400 3.022 -1.578 118 HG11 VAL 18 HG11 VAL 18 11.312 1.453 -3.086 119 HG12 VAL 18 HG12 VAL 18 11.043 2.254 -1.539 120 HG13 VAL 18 HG13 VAL 18 12.206 0.935 -1.655 121 HG21 VAL 18 HG21 VAL 18 14.771 2.777 -3.499 122 HG22 VAL 18 HG22 VAL 18 13.439 2.125 -4.455 123 HG23 VAL 18 HG23 VAL 18 14.131 1.173 -3.138 124 H LYS 19 H LYS 19 13.890 4.526 -4.999 125 HA LYS 19 HA LYS 19 15.658 6.258 -3.580 126 HB2 LYS 19 HB2 LYS 19 15.491 5.147 -6.304 127 HB3 LYS 19 HB3 LYS 19 16.337 6.679 -6.164 128 HG2 LYS 19 HG2 LYS 19 16.988 4.335 -4.408 129 HG3 LYS 19 HG3 LYS 19 17.733 4.573 -5.991 130 HD2 LYS 19 HD2 LYS 19 19.271 5.746 -4.845 131 HD3 LYS 19 HD3 LYS 19 18.060 7.026 -4.866 132 HE2 LYS 19 HE2 LYS 19 17.254 6.321 -2.677 133 HE3 LYS 19 HE3 LYS 19 18.399 4.983 -2.669 134 HZ1 LYS 19 HZ1 LYS 19 20.206 6.518 -2.604 135 HZ2 LYS 19 HZ2 LYS 19 19.125 6.929 -1.367 136 HZ3 LYS 19 HZ3 LYS 19 19.169 7.843 -2.789 137 H LYS 20 H LYS 20 12.849 6.763 -5.537 138 HA LYS 20 HA LYS 20 13.358 9.534 -6.059 139 HB2 LYS 20 HB2 LYS 20 11.864 7.954 -7.410 140 HB3 LYS 20 HB3 LYS 20 10.662 8.196 -6.153 141 HG2 LYS 20 HG2 LYS 20 10.159 9.688 -7.926 142 HG3 LYS 20 HG3 LYS 20 10.804 10.647 -6.592 143 HD2 LYS 20 HD2 LYS 20 13.007 10.677 -7.699 144 HD3 LYS 20 HD3 LYS 20 12.333 9.744 -9.036 145 HE2 LYS 20 HE2 LYS 20 10.842 11.521 -9.607 146 HE3 LYS 20 HE3 LYS 20 11.288 12.426 -8.160 147 HZ1 LYS 20 HZ1 LYS 20 13.084 11.803 -10.445 148 HZ2 LYS 20 HZ2 LYS 20 13.532 12.650 -9.053 149 HZ3 LYS 20 HZ3 LYS 20 12.395 13.307 -10.110 150 H ILE 21 H ILE 21 11.315 7.758 -3.759 151 HA ILE 21 HA ILE 21 10.326 10.160 -2.544 152 HB ILE 21 HB ILE 21 9.365 8.680 -0.820 153 HG12 ILE 21 HG12 ILE 21 10.447 6.365 -2.434 154 HG13 ILE 21 HG13 ILE 21 11.264 6.969 -0.994 155 HG21 ILE 21 HG21 ILE 21 8.917 7.943 -3.706 156 HG22 ILE 21 HG22 ILE 21 8.045 9.137 -2.747 157 HG23 ILE 21 HG23 ILE 21 7.868 7.421 -2.388 158 HD11 ILE 21 HD11 ILE 21 8.416 6.016 -1.013 159 HD12 ILE 21 HD12 ILE 21 9.435 6.368 0.383 160 HD13 ILE 21 HD13 ILE 21 9.798 4.986 -0.647 161 H GLY 22 H GLY 22 13.229 8.445 -2.273 162 HA2 GLY 22 HA2 GLY 22 15.097 9.058 -1.040 163 HA3 GLY 22 HA3 GLY 22 14.102 10.196 -0.145 164 H LEU 23 H LEU 23 13.332 6.795 -0.495 165 HA LEU 23 HA LEU 23 13.038 6.434 2.305 166 HB2 LEU 23 HB2 LEU 23 11.905 5.143 0.411 167 HB3 LEU 23 HB3 LEU 23 13.406 4.258 0.244 168 HG LEU 23 HG LEU 23 13.141 3.579 2.673 169 HD11 LEU 23 HD11 LEU 23 10.907 3.649 3.594 170 HD12 LEU 23 HD12 LEU 23 10.338 4.567 2.198 171 HD13 LEU 23 HD13 LEU 23 11.509 5.282 3.307 172 HD21 LEU 23 HD21 LEU 23 11.533 2.680 0.361 173 HD22 LEU 23 HD22 LEU 23 11.085 2.048 1.941 174 HD23 LEU 23 HD23 LEU 23 12.718 1.809 1.331 175 HA PRO 24 HA PRO 24 17.313 5.745 3.333 176 HB2 PRO 24 HB2 PRO 24 16.909 4.326 5.659 177 HB3 PRO 24 HB3 PRO 24 16.820 6.093 5.550 178 HG2 PRO 24 HG2 PRO 24 14.624 4.092 5.552 179 HG3 PRO 24 HG3 PRO 24 14.719 5.667 6.354 180 HD2 PRO 24 HD2 PRO 24 13.323 5.316 4.087 181 HD3 PRO 24 HD3 PRO 24 14.183 6.828 4.438 182 H ALA 25 H ALA 25 18.756 4.195 2.886 183 HA ALA 25 HA ALA 25 18.091 1.893 1.494 184 HB1 ALA 25 HB1 ALA 25 20.314 3.114 1.582 185 HB2 ALA 25 HB2 ALA 25 20.369 1.352 1.507 186 HB3 ALA 25 HB3 ALA 25 20.645 2.178 3.040 187 H ASP 26 H ASP 26 18.733 2.340 4.916 188 HA ASP 26 HA ASP 26 18.931 -0.306 5.725 189 HB2 ASP 26 HB2 ASP 26 19.455 1.505 7.231 190 HB3 ASP 26 HB3 ASP 26 17.797 2.094 7.171 191 H LYS 27 H LYS 27 16.057 1.679 5.153 192 HA LYS 27 HA LYS 27 14.317 -0.473 6.052 193 HB2 LYS 27 HB2 LYS 27 13.638 2.250 4.927 194 HB3 LYS 27 HB3 LYS 27 12.471 1.092 5.543 195 HG2 LYS 27 HG2 LYS 27 14.657 2.390 7.159 196 HG3 LYS 27 HG3 LYS 27 12.955 2.860 7.159 197 HD2 LYS 27 HD2 LYS 27 12.465 0.457 7.852 198 HD3 LYS 27 HD3 LYS 27 14.196 0.313 8.169 199 HE2 LYS 27 HE2 LYS 27 14.068 2.177 9.743 200 HE3 LYS 27 HE3 LYS 27 12.348 2.352 9.406 201 HZ1 LYS 27 HZ1 LYS 27 13.706 0.094 10.764 202 HZ2 LYS 27 HZ2 LYS 27 12.113 0.002 10.212 203 HZ3 LYS 27 HZ3 LYS 27 12.527 1.129 11.397 204 H ILE 28 H ILE 28 15.489 0.977 3.109 205 HA ILE 28 HA ILE 28 13.613 -0.036 1.291 206 HB ILE 28 HB ILE 28 16.573 0.509 0.944 207 HG12 ILE 28 HG12 ILE 28 14.147 2.036 -0.003 208 HG13 ILE 28 HG13 ILE 28 15.179 2.491 1.350 209 HG21 ILE 28 HG21 ILE 28 16.247 0.318 -1.456 210 HG22 ILE 28 HG22 ILE 28 14.567 -0.147 -1.198 211 HG23 ILE 28 HG23 ILE 28 15.867 -1.200 -0.643 212 HD11 ILE 28 HD11 ILE 28 15.958 2.353 -1.550 213 HD12 ILE 28 HD12 ILE 28 17.068 2.692 -0.222 214 HD13 ILE 28 HD13 ILE 28 15.744 3.803 -0.570 215 H GLU 29 H GLU 29 16.783 -1.323 2.255 216 HA GLU 29 HA GLU 29 16.568 -3.778 0.887 217 HB2 GLU 29 HB2 GLU 29 18.230 -3.075 3.312 218 HB3 GLU 29 HB3 GLU 29 18.474 -4.476 2.279 219 HG2 GLU 29 HG2 GLU 29 18.827 -1.583 1.537 220 HG3 GLU 29 HG3 GLU 29 20.078 -2.819 1.686 221 H MET 30 H MET 30 15.640 -2.693 4.056 222 HA MET 30 HA MET 30 15.152 -5.190 5.242 223 HB2 MET 30 HB2 MET 30 15.393 -2.968 6.411 224 HB3 MET 30 HB3 MET 30 13.770 -2.574 5.867 225 HG2 MET 30 HG2 MET 30 13.737 -3.341 8.149 226 HG3 MET 30 HG3 MET 30 12.885 -4.474 7.106 227 HE1 MET 30 HE1 MET 30 12.943 -6.761 8.203 228 HE2 MET 30 HE2 MET 30 14.368 -7.727 7.823 229 HE3 MET 30 HE3 MET 30 13.575 -6.789 6.557 230 H GLY 31 H GLY 31 13.080 -3.000 3.351 231 HA2 GLY 31 HA2 GLY 31 10.890 -4.956 3.600 232 HA3 GLY 31 HA3 GLY 31 10.700 -3.268 3.176 233 H ARG 32 H ARG 32 13.151 -5.220 1.580 234 HA ARG 32 HA ARG 32 11.517 -4.970 -0.853 235 HB2 ARG 32 HB2 ARG 32 13.548 -5.094 -2.164 236 HB3 ARG 32 HB3 ARG 32 13.673 -3.811 -0.974 237 HG2 ARG 32 HG2 ARG 32 15.235 -4.957 0.287 238 HG3 ARG 32 HG3 ARG 32 14.803 -6.514 -0.409 239 HD2 ARG 32 HD2 ARG 32 16.922 -5.847 -1.296 240 HD3 ARG 32 HD3 ARG 32 15.719 -5.767 -2.582 241 HE ARG 32 HE ARG 32 16.824 -3.426 -1.153 242 HH11 ARG 32 HH11 ARG 32 15.356 -4.881 -4.009 243 HH12 ARG 32 HH12 ARG 32 15.652 -3.428 -5.033 244 HH21 ARG 32 HH21 ARG 32 17.221 -1.590 -2.409 245 HH22 ARG 32 HH22 ARG 32 16.685 -1.575 -4.147 246 H ASN 33 H ASN 33 10.777 -6.666 -1.857 247 HA ASN 33 HA ASN 33 10.290 -8.798 -2.448 248 HB2 ASN 33 HB2 ASN 33 13.201 -8.929 -1.924 249 HB3 ASN 33 HB3 ASN 33 12.350 -10.470 -1.934 250 HD21 ASN 33 HD21 ASN 33 11.522 -7.652 -3.857 251 HD22 ASN 33 HD22 ASN 33 11.881 -8.356 -5.390 252 H CYS 34 H CYS 34 10.028 -7.759 0.346 253 HA CYS 34 HA CYS 34 10.149 -10.191 1.936 254 HB2 CYS 34 HB2 CYS 34 9.244 -7.392 2.657 255 HB3 CYS 34 HB3 CYS 34 9.473 -8.717 3.788 256 HG CYS 34 HG CYS 34 11.611 -6.873 3.992 257 H LYS 35 H LYS 35 8.373 -11.299 2.687 258 HA LYS 35 HA LYS 35 6.020 -11.149 1.085 259 HB2 LYS 35 HB2 LYS 35 5.199 -12.930 2.776 260 HB3 LYS 35 HB3 LYS 35 6.521 -13.330 1.690 261 HG2 LYS 35 HG2 LYS 35 7.621 -12.222 4.067 262 HG3 LYS 35 HG3 LYS 35 6.443 -13.456 4.519 263 HD2 LYS 35 HD2 LYS 35 7.526 -15.055 3.015 264 HD3 LYS 35 HD3 LYS 35 8.700 -13.826 2.552 265 HE2 LYS 35 HE2 LYS 35 9.441 -13.712 4.914 266 HE3 LYS 35 HE3 LYS 35 8.336 -15.035 5.287 267 HZ1 LYS 35 HZ1 LYS 35 10.502 -15.932 4.951 268 HZ2 LYS 35 HZ2 LYS 35 10.685 -15.123 3.478 269 HZ3 LYS 35 HZ3 LYS 35 9.562 -16.378 3.613 270 H ILE 36 H ILE 36 5.206 -9.077 1.477 271 HA ILE 36 HA ILE 36 4.303 -8.350 4.127 272 HB ILE 36 HB ILE 36 3.498 -6.980 1.568 273 HG12 ILE 36 HG12 ILE 36 5.940 -7.212 1.522 274 HG13 ILE 36 HG13 ILE 36 5.461 -5.545 1.786 275 HG21 ILE 36 HG21 ILE 36 3.311 -5.025 2.979 276 HG22 ILE 36 HG22 ILE 36 3.922 -5.932 4.362 277 HG23 ILE 36 HG23 ILE 36 2.361 -6.351 3.653 278 HD11 ILE 36 HD11 ILE 36 6.365 -7.429 3.936 279 HD12 ILE 36 HD12 ILE 36 5.977 -5.719 4.124 280 HD13 ILE 36 HD13 ILE 36 7.368 -6.207 3.156 281 H VAL 37 H VAL 37 2.380 -8.862 4.948 282 HA VAL 37 HA VAL 37 0.370 -10.043 3.167 283 HB VAL 37 HB VAL 37 0.075 -9.938 6.152 284 HG11 VAL 37 HG11 VAL 37 -1.211 -11.978 5.796 285 HG12 VAL 37 HG12 VAL 37 -0.861 -11.900 4.068 286 HG13 VAL 37 HG13 VAL 37 -1.840 -10.642 4.826 287 HG21 VAL 37 HG21 VAL 37 1.643 -11.996 4.619 288 HG22 VAL 37 HG22 VAL 37 1.174 -12.123 6.314 289 HG23 VAL 37 HG23 VAL 37 2.285 -10.854 5.796 290 H THR 38 H THR 38 -1.444 -9.018 2.669 291 HA THR 38 HA THR 38 -2.115 -6.570 4.174 292 HB THR 38 HB THR 38 -2.715 -7.112 1.261 293 HG1 THR 38 HG1 THR 38 -0.674 -6.609 1.028 294 HG21 THR 38 HG21 THR 38 -4.293 -5.564 2.154 295 HG22 THR 38 HG22 THR 38 -3.105 -4.625 1.248 296 HG23 THR 38 HG23 THR 38 -3.031 -4.679 3.011 297 H GLU 39 H GLU 39 -3.742 -7.172 5.494 298 HA GLU 39 HA GLU 39 -5.791 -9.008 4.495 299 HB2 GLU 39 HB2 GLU 39 -5.343 -7.858 7.253 300 HB3 GLU 39 HB3 GLU 39 -6.594 -9.019 6.836 301 HG2 GLU 39 HG2 GLU 39 -4.244 -10.168 5.906 302 HG3 GLU 39 HG3 GLU 39 -3.815 -9.460 7.460 303 H VAL 40 H VAL 40 -7.450 -8.181 3.483 304 HA VAL 40 HA VAL 40 -8.348 -5.457 4.139 305 HB VAL 40 HB VAL 40 -8.899 -7.099 1.663 306 HG11 VAL 40 HG11 VAL 40 -10.662 -5.488 2.200 307 HG12 VAL 40 HG12 VAL 40 -9.790 -5.037 0.732 308 HG13 VAL 40 HG13 VAL 40 -9.460 -4.192 2.247 309 HG21 VAL 40 HG21 VAL 40 -7.372 -5.499 0.543 310 HG22 VAL 40 HG22 VAL 40 -6.558 -6.503 1.744 311 HG23 VAL 40 HG23 VAL 40 -6.964 -4.826 2.123 312 H VAL 41 H VAL 41 -10.147 -5.266 5.251 313 HA VAL 41 HA VAL 41 -12.149 -7.416 5.164 314 HB VAL 41 HB VAL 41 -11.884 -5.176 7.189 315 HG11 VAL 41 HG11 VAL 41 -13.613 -7.644 7.178 316 HG12 VAL 41 HG12 VAL 41 -14.160 -5.982 6.967 317 HG13 VAL 41 HG13 VAL 41 -13.478 -6.496 8.511 318 HG21 VAL 41 HG21 VAL 41 -11.065 -8.071 7.410 319 HG22 VAL 41 HG22 VAL 41 -11.073 -6.908 8.736 320 HG23 VAL 41 HG23 VAL 41 -9.987 -6.677 7.365 321 H GLN 42 H GLN 42 -14.166 -6.968 4.380 322 HA GLN 42 HA GLN 42 -14.521 -4.314 3.192 323 HB2 GLN 42 HB2 GLN 42 -14.722 -6.645 1.957 324 HB3 GLN 42 HB3 GLN 42 -16.357 -6.591 2.595 325 HG2 GLN 42 HG2 GLN 42 -16.858 -4.614 1.404 326 HG3 GLN 42 HG3 GLN 42 -15.166 -4.352 0.987 327 HE21 GLN 42 HE21 GLN 42 -18.038 -6.167 0.307 328 HE22 GLN 42 HE22 GLN 42 -17.504 -6.840 -1.197 329 H ASN 43 H ASN 43 -15.614 -2.934 4.385 330 HA ASN 43 HA ASN 43 -18.039 -3.894 5.762 331 HB2 ASN 43 HB2 ASN 43 -16.032 -3.283 7.253 332 HB3 ASN 43 HB3 ASN 43 -16.342 -1.621 6.776 333 HD21 ASN 43 HD21 ASN 43 -16.460 -1.963 9.334 334 HD22 ASN 43 HD22 ASN 43 -18.080 -2.057 9.937 335 H GLY 44 H GLY 44 -19.100 -3.270 3.774 336 HA2 GLY 44 HA2 GLY 44 -20.520 -1.827 2.667 337 HA3 GLY 44 HA3 GLY 44 -20.160 -0.622 3.899 338 H ASN 45 H ASN 45 -18.472 0.815 3.592 339 HA ASN 45 HA ASN 45 -17.152 0.727 0.965 340 HB2 ASN 45 HB2 ASN 45 -18.993 2.727 1.942 341 HB3 ASN 45 HB3 ASN 45 -17.412 3.441 1.625 342 HD21 ASN 45 HD21 ASN 45 -18.650 0.640 -0.082 343 HD22 ASN 45 HD22 ASN 45 -18.845 1.432 -1.612 344 H ASP 46 H ASP 46 -16.619 0.247 3.968 345 HA ASP 46 HA ASP 46 -14.211 1.907 4.215 346 HB2 ASP 46 HB2 ASP 46 -15.811 1.991 6.112 347 HB3 ASP 46 HB3 ASP 46 -15.639 0.251 6.311 348 H PHE 47 H PHE 47 -12.482 0.922 3.396 349 HA PHE 47 HA PHE 47 -12.267 -1.992 3.690 350 HB2 PHE 47 HB2 PHE 47 -10.853 -0.127 1.771 351 HB3 PHE 47 HB3 PHE 47 -10.608 -1.869 1.856 352 HD1 PHE 47 HD1 PHE 47 -13.068 0.771 1.064 353 HD2 PHE 47 HD2 PHE 47 -12.112 -3.370 0.810 354 HE1 PHE 47 HE1 PHE 47 -14.944 0.435 -0.491 355 HE2 PHE 47 HE2 PHE 47 -13.982 -3.706 -0.746 356 HZ PHE 47 HZ PHE 47 -15.403 -1.807 -1.398 357 H THR 48 H THR 48 -10.653 -2.866 4.829 358 HA THR 48 HA THR 48 -8.928 -1.026 6.300 359 HB THR 48 HB THR 48 -8.494 -2.860 7.811 360 HG1 THR 48 HG1 THR 48 -8.438 -4.584 6.342 361 HG21 THR 48 HG21 THR 48 -10.741 -3.310 8.646 362 HG22 THR 48 HG22 THR 48 -11.432 -2.806 7.104 363 HG23 THR 48 HG23 THR 48 -10.604 -1.631 8.125 364 H TRP 49 H TRP 49 -6.766 -0.958 6.061 365 HA TRP 49 HA TRP 49 -5.557 -2.906 4.216 366 HB2 TRP 49 HB2 TRP 49 -5.617 -0.091 4.050 367 HB3 TRP 49 HB3 TRP 49 -3.975 -0.511 4.530 368 HD1 TRP 49 HD1 TRP 49 -2.413 -0.921 2.548 369 HE1 TRP 49 HE1 TRP 49 -2.681 -1.637 0.080 370 HE3 TRP 49 HE3 TRP 49 -7.472 -1.709 2.487 371 HZ2 TRP 49 HZ2 TRP 49 -4.773 -2.432 -1.643 372 HZ3 TRP 49 HZ3 TRP 49 -8.525 -2.447 0.394 373 HH2 TRP 49 HH2 TRP 49 -7.201 -2.802 -1.626 374 H THR 50 H THR 50 -4.730 -4.360 5.569 375 HA THR 50 HA THR 50 -3.134 -3.444 7.866 376 HB THR 50 HB THR 50 -3.955 -6.294 7.327 377 HG1 THR 50 HG1 THR 50 -5.936 -5.467 7.448 378 HG21 THR 50 HG21 THR 50 -3.825 -6.470 9.768 379 HG22 THR 50 HG22 THR 50 -3.374 -4.768 9.869 380 HG23 THR 50 HG23 THR 50 -2.299 -5.919 9.077 381 H GLN 51 H GLN 51 -1.001 -3.410 7.546 382 HA GLN 51 HA GLN 51 0.176 -5.178 5.505 383 HB2 GLN 51 HB2 GLN 51 0.888 -2.482 6.567 384 HB3 GLN 51 HB3 GLN 51 2.199 -3.526 6.057 385 HG2 GLN 51 HG2 GLN 51 1.637 -2.075 4.258 386 HG3 GLN 51 HG3 GLN 51 1.132 -3.709 3.833 387 HE21 GLN 51 HE21 GLN 51 -0.954 -4.086 3.363 388 HE22 GLN 51 HE22 GLN 51 -2.192 -2.883 3.406 389 H HIS 52 H HIS 52 1.099 -6.934 6.300 390 HA HIS 52 HA HIS 52 2.238 -6.818 9.003 391 HB2 HIS 52 HB2 HIS 52 1.209 -9.132 7.372 392 HB3 HIS 52 HB3 HIS 52 2.197 -9.366 8.806 393 HD2 HIS 52 HD2 HIS 52 -1.427 -9.071 7.885 394 HE1 HIS 52 HE1 HIS 52 -1.149 -8.132 11.997 395 HE2 HIS 52 HE2 HIS 52 -2.678 -8.956 10.153 396 H PHE 53 H PHE 53 4.303 -6.807 9.232 397 HA PHE 53 HA PHE 53 5.959 -7.396 6.907 398 HB2 PHE 53 HB2 PHE 53 6.080 -5.195 8.255 399 HB3 PHE 53 HB3 PHE 53 6.933 -6.147 9.464 400 HD1 PHE 53 HD1 PHE 53 7.012 -6.081 5.770 401 HD2 PHE 53 HD2 PHE 53 9.174 -5.672 9.385 402 HE1 PHE 53 HE1 PHE 53 9.098 -5.827 4.483 403 HE2 PHE 53 HE2 PHE 53 11.269 -5.419 8.123 404 HZ PHE 53 HZ PHE 53 11.231 -5.494 5.667 405 HA PRO 54 HA PRO 54 7.033 -11.301 8.783 406 HB2 PRO 54 HB2 PRO 54 9.226 -11.790 7.198 407 HB3 PRO 54 HB3 PRO 54 7.554 -12.105 6.694 408 HG2 PRO 54 HG2 PRO 54 9.296 -9.761 6.080 409 HG3 PRO 54 HG3 PRO 54 8.205 -10.667 5.011 410 HD2 PRO 54 HD2 PRO 54 7.473 -8.316 6.032 411 HD3 PRO 54 HD3 PRO 54 6.307 -9.644 5.851 412 H GLY 55 H GLY 55 7.922 -11.232 10.732 413 HA2 GLY 55 HA2 GLY 55 9.524 -11.114 12.359 414 HA3 GLY 55 HA3 GLY 55 10.718 -10.955 11.084 415 H GLY 56 H GLY 56 8.117 -8.642 11.230 416 HA2 GLY 56 HA2 GLY 56 9.805 -6.751 12.694 417 HA3 GLY 56 HA3 GLY 56 9.398 -6.350 11.041 418 H ARG 57 H ARG 57 8.518 -4.436 12.108 419 HA ARG 57 HA ARG 57 6.261 -4.590 13.817 420 HB2 ARG 57 HB2 ARG 57 6.126 -2.206 13.587 421 HB3 ARG 57 HB3 ARG 57 7.821 -2.647 13.686 422 HG2 ARG 57 HG2 ARG 57 8.084 -1.312 11.931 423 HG3 ARG 57 HG3 ARG 57 7.399 -2.638 10.989 424 HD2 ARG 57 HD2 ARG 57 6.160 -0.731 10.375 425 HD3 ARG 57 HD3 ARG 57 5.124 -1.621 11.487 426 HE ARG 57 HE ARG 57 6.737 0.403 12.753 427 HH11 ARG 57 HH11 ARG 57 3.697 -0.274 11.093 428 HH12 ARG 57 HH12 ARG 57 2.863 1.165 11.815 429 HH21 ARG 57 HH21 ARG 57 5.684 2.243 13.658 430 HH22 ARG 57 HH22 ARG 57 3.953 2.537 13.223 431 H THR 58 H THR 58 4.098 -4.202 13.397 432 HA THR 58 HA THR 58 3.301 -4.686 10.624 433 HB THR 58 HB THR 58 2.479 -6.272 12.382 434 HG1 THR 58 HG1 THR 58 0.916 -6.506 10.986 435 HG21 THR 58 HG21 THR 58 0.733 -5.587 13.903 436 HG22 THR 58 HG22 THR 58 0.772 -3.942 13.269 437 HG23 THR 58 HG23 THR 58 2.152 -4.572 14.170 438 H THR 59 H THR 59 1.442 -3.502 9.795 439 HA THR 59 HA THR 59 0.996 -0.875 11.056 440 HB THR 59 HB THR 59 1.227 -0.986 8.083 441 HG1 THR 59 HG1 THR 59 3.097 -2.112 8.872 442 HG21 THR 59 HG21 THR 59 0.698 1.148 8.834 443 HG22 THR 59 HG22 THR 59 2.457 1.234 8.686 444 HG23 THR 59 HG23 THR 59 1.713 1.002 10.268 445 H THR 60 H THR 60 -1.162 -0.305 11.028 446 HA THR 60 HA THR 60 -2.913 -1.622 9.087 447 HB THR 60 HB THR 60 -3.676 -1.496 11.995 448 HG1 THR 60 HG1 THR 60 -1.992 -3.250 10.690 449 HG21 THR 60 HG21 THR 60 -5.323 -3.180 11.334 450 HG22 THR 60 HG22 THR 60 -4.709 -3.151 9.683 451 HG23 THR 60 HG23 THR 60 -5.498 -1.725 10.356 452 H ASN 61 H ASN 61 -4.577 -0.414 8.384 453 HA ASN 61 HA ASN 61 -5.464 1.937 9.838 454 HB2 ASN 61 HB2 ASN 61 -5.037 3.525 8.099 455 HB3 ASN 61 HB3 ASN 61 -3.514 2.681 8.370 456 HD21 ASN 61 HD21 ASN 61 -2.829 1.135 6.829 457 HD22 ASN 61 HD22 ASN 61 -3.439 1.159 5.217 458 H SER 62 H SER 62 -7.457 2.790 8.960 459 HA SER 62 HA SER 62 -8.820 0.966 7.104 460 HB2 SER 62 HB2 SER 62 -10.879 1.271 8.534 461 HB3 SER 62 HB3 SER 62 -9.579 0.356 9.301 462 HG SER 62 HG SER 62 -9.923 3.144 9.664 463 H PHE 63 H PHE 63 -9.962 1.998 5.520 464 HA PHE 63 HA PHE 63 -10.438 4.865 5.894 465 HB2 PHE 63 HB2 PHE 63 -9.742 5.276 3.538 466 HB3 PHE 63 HB3 PHE 63 -8.420 4.764 4.586 467 HD1 PHE 63 HD1 PHE 63 -7.412 2.568 4.331 468 HD2 PHE 63 HD2 PHE 63 -10.528 3.878 1.742 469 HE1 PHE 63 HE1 PHE 63 -6.869 0.760 2.759 470 HE2 PHE 63 HE2 PHE 63 -9.989 2.067 0.173 471 HZ PHE 63 HZ PHE 63 -8.159 0.501 0.680 472 H THR 64 H THR 64 -12.256 5.659 5.101 473 HA THR 64 HA THR 64 -14.091 3.772 3.811 474 HB THR 64 HB THR 64 -14.628 6.306 5.381 475 HG1 THR 64 HG1 THR 64 -14.288 3.798 6.161 476 HG21 THR 64 HG21 THR 64 -16.481 4.553 3.798 477 HG22 THR 64 HG22 THR 64 -16.344 6.316 3.799 478 HG23 THR 64 HG23 THR 64 -17.052 5.481 5.184 479 H ILE 65 H ILE 65 -14.706 4.129 1.767 480 HA ILE 65 HA ILE 65 -13.440 5.964 0.115 481 HB ILE 65 HB ILE 65 -16.128 4.666 -0.327 482 HG12 ILE 65 HG12 ILE 65 -14.406 3.003 0.082 483 HG13 ILE 65 HG13 ILE 65 -14.825 2.996 -1.629 484 HG21 ILE 65 HG21 ILE 65 -15.788 6.555 -1.821 485 HG22 ILE 65 HG22 ILE 65 -15.688 5.037 -2.712 486 HG23 ILE 65 HG23 ILE 65 -14.213 5.913 -2.299 487 HD11 ILE 65 HD11 ILE 65 -12.359 4.115 -0.325 488 HD12 ILE 65 HD12 ILE 65 -12.808 4.468 -1.992 489 HD13 ILE 65 HD13 ILE 65 -12.479 2.808 -1.504 490 H ASP 66 H ASP 66 -13.639 8.040 -0.213 491 HA ASP 66 HA ASP 66 -14.478 10.140 -0.428 492 HB2 ASP 66 HB2 ASP 66 -16.583 8.867 -1.268 493 HB3 ASP 66 HB3 ASP 66 -17.234 9.201 0.330 494 H LYS 67 H LYS 67 -13.670 8.733 2.070 495 HA LYS 67 HA LYS 67 -14.551 10.823 3.926 496 HB2 LYS 67 HB2 LYS 67 -15.906 8.960 4.522 497 HB3 LYS 67 HB3 LYS 67 -14.549 7.848 4.366 498 HG2 LYS 67 HG2 LYS 67 -15.049 8.161 6.683 499 HG3 LYS 67 HG3 LYS 67 -13.494 8.906 6.317 500 HD2 LYS 67 HD2 LYS 67 -14.747 11.091 6.072 501 HD3 LYS 67 HD3 LYS 67 -16.138 10.266 6.777 502 HE2 LYS 67 HE2 LYS 67 -14.929 9.815 8.790 503 HE3 LYS 67 HE3 LYS 67 -13.432 10.416 8.086 504 HZ1 LYS 67 HZ1 LYS 67 -14.002 12.287 9.137 505 HZ2 LYS 67 HZ2 LYS 67 -15.643 11.876 9.234 506 HZ3 LYS 67 HZ3 LYS 67 -15.023 12.537 7.810 507 H GLU 68 H GLU 68 -12.908 11.663 5.143 508 HA GLU 68 HA GLU 68 -10.234 10.966 4.577 509 HB2 GLU 68 HB2 GLU 68 -9.718 12.551 6.458 510 HB3 GLU 68 HB3 GLU 68 -10.747 13.204 5.195 511 HG2 GLU 68 HG2 GLU 68 -11.883 13.974 6.981 512 HG3 GLU 68 HG3 GLU 68 -12.659 12.402 6.828 513 H ALA 69 H ALA 69 -8.778 9.711 5.667 514 HA ALA 69 HA ALA 69 -9.794 8.253 8.017 515 HB1 ALA 69 HB1 ALA 69 -8.955 6.192 7.175 516 HB2 ALA 69 HB2 ALA 69 -8.192 6.997 5.805 517 HB3 ALA 69 HB3 ALA 69 -9.950 6.921 5.916 518 H ASP 70 H ASP 70 -8.255 7.409 9.432 519 HA ASP 70 HA ASP 70 -5.796 8.946 9.607 520 HB2 ASP 70 HB2 ASP 70 -7.580 7.820 11.475 521 HB3 ASP 70 HB3 ASP 70 -6.090 6.896 11.635 522 H MET 71 H MET 71 -3.993 8.201 8.719 523 HA MET 71 HA MET 71 -3.703 5.288 8.418 524 HB2 MET 71 HB2 MET 71 -2.637 7.374 6.535 525 HB3 MET 71 HB3 MET 71 -2.582 5.628 6.324 526 HG2 MET 71 HG2 MET 71 -4.759 5.493 5.723 527 HG3 MET 71 HG3 MET 71 -5.226 6.891 6.689 528 HE1 MET 71 HE1 MET 71 -6.261 7.492 3.038 529 HE2 MET 71 HE2 MET 71 -6.674 8.296 4.553 530 HE3 MET 71 HE3 MET 71 -6.580 6.538 4.489 531 H GLU 72 H GLU 72 -1.422 4.663 8.007 532 HA GLU 72 HA GLU 72 0.638 6.342 9.115 533 HB2 GLU 72 HB2 GLU 72 -0.107 5.437 11.183 534 HB3 GLU 72 HB3 GLU 72 -0.343 3.841 10.492 535 HG2 GLU 72 HG2 GLU 72 2.086 3.623 10.234 536 HG3 GLU 72 HG3 GLU 72 2.299 5.198 10.986 537 H THR 73 H THR 73 2.597 5.793 8.279 538 HA THR 73 HA THR 73 2.593 3.701 6.252 539 HB THR 73 HB THR 73 4.689 4.570 5.476 540 HG1 THR 73 HG1 THR 73 5.941 5.907 6.648 541 HG21 THR 73 HG21 THR 73 3.975 6.554 4.607 542 HG22 THR 73 HG22 THR 73 3.367 7.139 6.148 543 HG23 THR 73 HG23 THR 73 2.439 5.956 5.230 544 H MET 74 H MET 74 4.724 2.436 6.111 545 HA MET 74 HA MET 74 4.985 1.030 8.589 546 HB2 MET 74 HB2 MET 74 5.205 0.261 6.008 547 HB3 MET 74 HB3 MET 74 6.904 0.471 6.409 548 HG2 MET 74 HG2 MET 74 6.532 -1.009 8.382 549 HG3 MET 74 HG3 MET 74 4.920 -1.339 7.755 550 HE1 MET 74 HE1 MET 74 5.545 -3.273 4.493 551 HE2 MET 74 HE2 MET 74 5.064 -1.599 4.774 552 HE3 MET 74 HE3 MET 74 4.378 -2.891 5.759 553 H GLY 75 H GLY 75 6.304 3.833 7.481 554 HA2 GLY 75 HA2 GLY 75 8.952 3.433 8.652 555 HA3 GLY 75 HA3 GLY 75 8.403 4.854 7.763 556 H GLY 76 H GLY 76 5.885 4.259 9.654 557 HA2 GLY 76 HA2 GLY 76 5.382 4.737 11.915 558 HA3 GLY 76 HA3 GLY 76 6.970 5.466 12.091 559 H ARG 77 H ARG 77 4.929 6.303 9.378 560 HA ARG 77 HA ARG 77 4.751 9.015 10.470 561 HB2 ARG 77 HB2 ARG 77 3.931 8.137 7.710 562 HB3 ARG 77 HB3 ARG 77 4.278 9.765 8.262 563 HG2 ARG 77 HG2 ARG 77 6.589 9.274 8.377 564 HG3 ARG 77 HG3 ARG 77 6.300 7.561 8.101 565 HD2 ARG 77 HD2 ARG 77 6.900 8.346 6.014 566 HD3 ARG 77 HD3 ARG 77 5.153 8.302 5.943 567 HE ARG 77 HE ARG 77 5.474 10.809 6.624 568 HH11 ARG 77 HH11 ARG 77 7.402 8.912 4.395 569 HH12 ARG 77 HH12 ARG 77 7.755 10.318 3.323 570 HH21 ARG 77 HH21 ARG 77 5.940 12.644 5.309 571 HH22 ARG 77 HH22 ARG 77 6.980 12.406 3.854 572 H LYS 78 H LYS 78 2.930 9.659 11.426 573 HA LYS 78 HA LYS 78 0.457 8.202 10.836 574 HB2 LYS 78 HB2 LYS 78 1.116 10.063 13.132 575 HB3 LYS 78 HB3 LYS 78 -0.427 9.252 12.904 576 HG2 LYS 78 HG2 LYS 78 0.534 7.815 14.372 577 HG3 LYS 78 HG3 LYS 78 1.111 7.102 12.868 578 HD2 LYS 78 HD2 LYS 78 3.138 8.668 13.165 579 HD3 LYS 78 HD3 LYS 78 2.596 8.809 14.836 580 HE2 LYS 78 HE2 LYS 78 3.548 6.370 13.368 581 HE3 LYS 78 HE3 LYS 78 4.199 7.089 14.837 582 HZ1 LYS 78 HZ1 LYS 78 3.052 5.300 15.649 583 HZ2 LYS 78 HZ2 LYS 78 1.824 5.390 14.484 584 HZ3 LYS 78 HZ3 LYS 78 1.864 6.498 15.768 585 H PHE 79 H PHE 79 -1.169 9.185 9.728 586 HA PHE 79 HA PHE 79 -1.355 12.076 9.604 587 HB2 PHE 79 HB2 PHE 79 -1.107 12.110 7.101 588 HB3 PHE 79 HB3 PHE 79 0.378 11.744 7.975 589 HD1 PHE 79 HD1 PHE 79 1.315 9.506 7.977 590 HD2 PHE 79 HD2 PHE 79 -2.146 10.451 5.695 591 HE1 PHE 79 HE1 PHE 79 1.594 7.429 6.712 592 HE2 PHE 79 HE2 PHE 79 -1.884 8.363 4.426 593 HZ PHE 79 HZ PHE 79 -0.010 6.841 4.929 594 H LYS 80 H LYS 80 -3.057 12.678 7.830 595 HA LYS 80 HA LYS 80 -5.175 10.643 7.721 596 HB2 LYS 80 HB2 LYS 80 -5.525 13.571 8.416 597 HB3 LYS 80 HB3 LYS 80 -6.845 12.471 8.054 598 HG2 LYS 80 HG2 LYS 80 -6.924 12.301 10.292 599 HG3 LYS 80 HG3 LYS 80 -5.654 11.108 10.027 600 HD2 LYS 80 HD2 LYS 80 -4.014 12.463 10.843 601 HD3 LYS 80 HD3 LYS 80 -4.818 13.938 10.306 602 HE2 LYS 80 HE2 LYS 80 -5.020 14.071 12.606 603 HE3 LYS 80 HE3 LYS 80 -6.561 13.359 12.132 604 HZ1 LYS 80 HZ1 LYS 80 -5.785 11.210 12.772 605 HZ2 LYS 80 HZ2 LYS 80 -5.497 12.272 14.059 606 HZ3 LYS 80 HZ3 LYS 80 -4.220 11.788 13.064 607 H ALA 81 H ALA 81 -6.243 10.526 5.811 608 HA ALA 81 HA ALA 81 -5.956 12.642 3.841 609 HB1 ALA 81 HB1 ALA 81 -4.956 11.232 2.151 610 HB2 ALA 81 HB2 ALA 81 -4.951 9.858 3.258 611 HB3 ALA 81 HB3 ALA 81 -3.922 11.254 3.580 612 H THR 82 H THR 82 -7.281 12.212 1.895 613 HA THR 82 HA THR 82 -9.667 10.666 2.622 614 HB THR 82 HB THR 82 -9.707 12.356 0.189 615 HG1 THR 82 HG1 THR 82 -10.206 14.082 2.054 616 HG21 THR 82 HG21 THR 82 -11.719 11.239 0.956 617 HG22 THR 82 HG22 THR 82 -11.907 12.986 1.139 618 HG23 THR 82 HG23 THR 82 -11.560 11.985 2.550 619 H VAL 83 H VAL 83 -10.469 9.044 1.352 620 HA VAL 83 HA VAL 83 -8.839 8.258 -0.978 621 HB VAL 83 HB VAL 83 -10.175 6.418 1.019 622 HG11 VAL 83 HG11 VAL 83 -10.170 5.509 -1.224 623 HG12 VAL 83 HG12 VAL 83 -9.020 4.638 -0.209 624 HG13 VAL 83 HG13 VAL 83 -8.444 5.834 -1.372 625 HG21 VAL 83 HG21 VAL 83 -7.972 5.808 1.747 626 HG22 VAL 83 HG22 VAL 83 -8.144 7.559 1.878 627 HG23 VAL 83 HG23 VAL 83 -7.234 6.859 0.538 628 H LYS 84 H LYS 84 -9.980 7.774 -2.806 629 HA LYS 84 HA LYS 84 -12.910 7.577 -2.565 630 HB2 LYS 84 HB2 LYS 84 -13.057 8.850 -4.729 631 HB3 LYS 84 HB3 LYS 84 -12.479 9.797 -3.363 632 HG2 LYS 84 HG2 LYS 84 -10.130 8.992 -4.325 633 HG3 LYS 84 HG3 LYS 84 -11.072 8.945 -5.818 634 HD2 LYS 84 HD2 LYS 84 -11.717 11.269 -5.498 635 HD3 LYS 84 HD3 LYS 84 -10.839 11.319 -3.968 636 HE2 LYS 84 HE2 LYS 84 -8.751 10.830 -5.176 637 HE3 LYS 84 HE3 LYS 84 -9.643 10.853 -6.696 638 HZ1 LYS 84 HZ1 LYS 84 -8.500 12.963 -6.198 639 HZ2 LYS 84 HZ2 LYS 84 -9.473 13.152 -4.827 640 HZ3 LYS 84 HZ3 LYS 84 -10.172 13.149 -6.366 641 H MET 85 H MET 85 -13.750 6.817 -4.909 642 HA MET 85 HA MET 85 -11.987 4.642 -5.811 643 HB2 MET 85 HB2 MET 85 -14.500 4.404 -4.460 644 HB3 MET 85 HB3 MET 85 -14.685 3.819 -6.104 645 HG2 MET 85 HG2 MET 85 -12.760 2.320 -5.746 646 HG3 MET 85 HG3 MET 85 -12.682 2.875 -4.072 647 HE1 MET 85 HE1 MET 85 -13.235 0.829 -2.585 648 HE2 MET 85 HE2 MET 85 -12.714 0.028 -4.071 649 HE3 MET 85 HE3 MET 85 -14.159 -0.530 -3.225 650 H GLU 86 H GLU 86 -11.984 4.226 -7.952 651 HA GLU 86 HA GLU 86 -13.865 5.710 -9.652 652 HB2 GLU 86 HB2 GLU 86 -11.805 5.910 -11.245 653 HB3 GLU 86 HB3 GLU 86 -12.004 7.059 -9.930 654 HG2 GLU 86 HG2 GLU 86 -9.947 6.570 -9.292 655 HG3 GLU 86 HG3 GLU 86 -10.533 4.975 -8.828 656 H GLY 87 H GLY 87 -15.064 4.101 -10.449 657 HA2 GLY 87 HA2 GLY 87 -15.642 2.270 -11.692 658 HA3 GLY 87 HA3 GLY 87 -14.050 2.378 -12.419 659 H GLY 88 H GLY 88 -14.686 1.830 -8.999 660 HA2 GLY 88 HA2 GLY 88 -14.528 -0.146 -7.763 661 HA3 GLY 88 HA3 GLY 88 -14.172 -1.015 -9.249 662 H LYS 89 H LYS 89 -12.308 1.783 -8.782 663 HA LYS 89 HA LYS 89 -10.060 0.178 -7.753 664 HB2 LYS 89 HB2 LYS 89 -9.692 2.526 -9.598 665 HB3 LYS 89 HB3 LYS 89 -8.551 1.239 -9.224 666 HG2 LYS 89 HG2 LYS 89 -10.304 -0.303 -10.343 667 HG3 LYS 89 HG3 LYS 89 -10.938 1.189 -11.030 668 HD2 LYS 89 HD2 LYS 89 -8.138 0.119 -11.351 669 HD3 LYS 89 HD3 LYS 89 -9.403 0.120 -12.576 670 HE2 LYS 89 HE2 LYS 89 -8.326 1.997 -13.235 671 HE3 LYS 89 HE3 LYS 89 -9.350 2.735 -12.003 672 HZ1 LYS 89 HZ1 LYS 89 -7.564 3.316 -10.852 673 HZ2 LYS 89 HZ2 LYS 89 -6.588 2.763 -12.126 674 HZ3 LYS 89 HZ3 LYS 89 -6.965 1.723 -10.843 675 H ILE 90 H ILE 90 -9.219 0.900 -5.938 676 HA ILE 90 HA ILE 90 -10.280 3.292 -4.735 677 HB ILE 90 HB ILE 90 -8.089 1.555 -3.620 678 HG12 ILE 90 HG12 ILE 90 -11.045 1.079 -3.782 679 HG13 ILE 90 HG13 ILE 90 -9.725 -0.056 -4.027 680 HG21 ILE 90 HG21 ILE 90 -10.201 3.200 -2.255 681 HG22 ILE 90 HG22 ILE 90 -8.541 3.722 -2.545 682 HG23 ILE 90 HG23 ILE 90 -8.860 2.344 -1.494 683 HD11 ILE 90 HD11 ILE 90 -9.269 0.116 -1.558 684 HD12 ILE 90 HD12 ILE 90 -10.780 -0.668 -2.019 685 HD13 ILE 90 HD13 ILE 90 -10.797 0.996 -1.426 686 H VAL 91 H VAL 91 -9.418 5.254 -4.996 687 HA VAL 91 HA VAL 91 -6.521 5.441 -5.457 688 HB VAL 91 HB VAL 91 -7.664 6.076 -7.479 689 HG11 VAL 91 HG11 VAL 91 -9.255 7.880 -7.619 690 HG12 VAL 91 HG12 VAL 91 -9.153 8.139 -5.879 691 HG13 VAL 91 HG13 VAL 91 -9.841 6.642 -6.509 692 HG21 VAL 91 HG21 VAL 91 -6.799 8.329 -7.792 693 HG22 VAL 91 HG22 VAL 91 -5.666 7.350 -6.865 694 HG23 VAL 91 HG23 VAL 91 -6.680 8.539 -6.046 695 H ALA 92 H ALA 92 -5.392 6.617 -4.080 696 HA ALA 92 HA ALA 92 -6.844 8.202 -2.060 697 HB1 ALA 92 HB1 ALA 92 -5.160 7.694 -0.531 698 HB2 ALA 92 HB2 ALA 92 -3.990 7.328 -1.796 699 HB3 ALA 92 HB3 ALA 92 -5.304 6.202 -1.461 700 H ASP 93 H ASP 93 -6.273 10.324 -1.650 701 HA ASP 93 HA ASP 93 -4.675 11.586 -3.757 702 HB2 ASP 93 HB2 ASP 93 -6.859 12.553 -3.512 703 HB3 ASP 93 HB3 ASP 93 -6.640 12.730 -1.772 704 H PHE 94 H PHE 94 -2.717 12.219 -3.404 705 HA PHE 94 HA PHE 94 -1.868 13.223 -0.804 706 HB2 PHE 94 HB2 PHE 94 -0.637 10.869 -2.227 707 HB3 PHE 94 HB3 PHE 94 0.265 11.821 -1.054 708 HD1 PHE 94 HD1 PHE 94 -0.461 11.865 1.302 709 HD2 PHE 94 HD2 PHE 94 -2.234 9.287 -1.576 710 HE1 PHE 94 HE1 PHE 94 -1.414 10.508 3.121 711 HE2 PHE 94 HE2 PHE 94 -3.199 7.928 0.235 712 HZ PHE 94 HZ PHE 94 -2.785 8.531 2.586 713 HA PRO 95 HA PRO 95 0.325 16.100 -3.343 714 HB2 PRO 95 HB2 PRO 95 2.583 16.541 -1.822 715 HB3 PRO 95 HB3 PRO 95 0.999 17.258 -1.467 716 HG2 PRO 95 HG2 PRO 95 2.335 14.915 -0.220 717 HG3 PRO 95 HG3 PRO 95 1.332 16.176 0.521 718 HD2 PRO 95 HD2 PRO 95 0.399 13.694 -0.030 719 HD3 PRO 95 HD3 PRO 95 -0.632 15.135 -0.045 720 H ASN 96 H ASN 96 1.098 15.295 -5.191 721 HA ASN 96 HA ASN 96 2.466 14.376 -6.740 722 HB2 ASN 96 HB2 ASN 96 4.162 15.633 -4.999 723 HB3 ASN 96 HB3 ASN 96 4.812 13.995 -5.026 724 HD21 ASN 96 HD21 ASN 96 5.923 16.480 -6.084 725 HD22 ASN 96 HD22 ASN 96 6.189 16.211 -7.770 726 H TYR 97 H TYR 97 1.187 12.724 -4.404 727 HA TYR 97 HA TYR 97 2.453 10.181 -5.196 728 HB2 TYR 97 HB2 TYR 97 2.911 10.940 -2.793 729 HB3 TYR 97 HB3 TYR 97 1.200 10.703 -2.494 730 HD1 TYR 97 HD1 TYR 97 0.352 8.249 -3.358 731 HD2 TYR 97 HD2 TYR 97 4.306 9.242 -2.128 732 HE1 TYR 97 HE1 TYR 97 0.779 5.888 -2.823 733 HE2 TYR 97 HE2 TYR 97 4.736 6.880 -1.591 734 HH TYR 97 HH TYR 97 2.571 4.355 -2.516 735 H HIS 98 H HIS 98 1.103 8.795 -6.082 736 HA HIS 98 HA HIS 98 -1.795 9.171 -5.713 737 HB2 HIS 98 HB2 HIS 98 -0.492 9.758 -8.029 738 HB3 HIS 98 HB3 HIS 98 -0.878 8.062 -8.295 739 HD1 HIS 98 HD1 HIS 98 -2.790 11.140 -7.099 740 HD2 HIS 98 HD2 HIS 98 -3.267 7.775 -9.491 741 HE1 HIS 98 HE1 HIS 98 -5.090 11.337 -8.084 742 HE2 HIS 98 HE2 HIS 98 -5.287 9.386 -9.665 743 H HIS 99 H HIS 99 -2.438 7.456 -4.569 744 HA HIS 99 HA HIS 99 -1.221 4.843 -5.146 745 HB2 HIS 99 HB2 HIS 99 -1.287 5.874 -2.760 746 HB3 HIS 99 HB3 HIS 99 -2.981 5.406 -2.777 747 HD2 HIS 99 HD2 HIS 99 -3.296 2.506 -3.294 748 HE1 HIS 99 HE1 HIS 99 0.429 1.742 -1.432 749 HE2 HIS 99 HE2 HIS 99 -1.798 0.738 -2.110 750 H THR 100 H THR 100 -2.361 3.527 -6.385 751 HA THR 100 HA THR 100 -5.295 3.627 -6.198 752 HB THR 100 HB THR 100 -5.346 2.919 -8.621 753 HG1 THR 100 HG1 THR 100 -2.594 3.350 -8.265 754 HG21 THR 100 HG21 THR 100 -5.081 5.178 -9.475 755 HG22 THR 100 HG22 THR 100 -4.126 5.622 -8.061 756 HG23 THR 100 HG23 THR 100 -5.833 5.223 -7.879 757 H ALA 101 H ALA 101 -6.253 1.763 -5.767 758 HA ALA 101 HA ALA 101 -4.694 -0.720 -6.075 759 HB1 ALA 101 HB1 ALA 101 -6.749 -0.221 -3.931 760 HB2 ALA 101 HB2 ALA 101 -5.021 0.063 -3.701 761 HB3 ALA 101 HB3 ALA 101 -5.611 -1.566 -4.049 762 H GLU 102 H GLU 102 -5.690 -2.397 -7.075 763 HA GLU 102 HA GLU 102 -8.566 -2.397 -7.436 764 HB2 GLU 102 HB2 GLU 102 -8.317 -2.633 -9.937 765 HB3 GLU 102 HB3 GLU 102 -7.995 -1.023 -9.305 766 HG2 GLU 102 HG2 GLU 102 -5.524 -2.050 -9.234 767 HG3 GLU 102 HG3 GLU 102 -6.190 -2.961 -10.590 768 H ILE 103 H ILE 103 -9.194 -4.329 -8.819 769 HA ILE 103 HA ILE 103 -7.539 -6.621 -8.022 770 HB ILE 103 HB ILE 103 -10.505 -6.603 -8.656 771 HG12 ILE 103 HG12 ILE 103 -9.968 -5.410 -6.538 772 HG13 ILE 103 HG13 ILE 103 -10.896 -6.880 -6.273 773 HG21 ILE 103 HG21 ILE 103 -10.488 -8.884 -7.763 774 HG22 ILE 103 HG22 ILE 103 -8.740 -8.781 -7.539 775 HG23 ILE 103 HG23 ILE 103 -9.425 -8.726 -9.162 776 HD11 ILE 103 HD11 ILE 103 -8.887 -8.051 -5.593 777 HD12 ILE 103 HD12 ILE 103 -9.132 -6.598 -4.622 778 HD13 ILE 103 HD13 ILE 103 -7.926 -6.606 -5.909 779 H SER 104 H SER 104 -6.561 -7.670 -9.615 780 HA SER 104 HA SER 104 -7.811 -7.679 -12.263 781 HB2 SER 104 HB2 SER 104 -4.952 -6.929 -11.640 782 HB3 SER 104 HB3 SER 104 -5.526 -7.313 -13.263 783 HG SER 104 HG SER 104 -7.109 -5.495 -11.989 784 H GLY 105 H GLY 105 -8.377 -9.767 -12.276 785 HA2 GLY 105 HA2 GLY 105 -8.043 -12.018 -12.694 786 HA3 GLY 105 HA3 GLY 105 -6.308 -11.735 -12.613 787 H GLY 106 H GLY 106 -8.648 -10.924 -10.125 788 HA2 GLY 106 HA2 GLY 106 -8.938 -11.706 -7.982 789 HA3 GLY 106 HA3 GLY 106 -8.186 -13.212 -8.498 790 H LYS 107 H LYS 107 -6.641 -10.112 -8.825 791 HA LYS 107 HA LYS 107 -4.871 -10.721 -6.569 792 HB2 LYS 107 HB2 LYS 107 -4.155 -10.394 -9.437 793 HB3 LYS 107 HB3 LYS 107 -3.060 -9.703 -8.245 794 HG2 LYS 107 HG2 LYS 107 -2.467 -11.754 -7.402 795 HG3 LYS 107 HG3 LYS 107 -3.966 -12.521 -7.931 796 HD2 LYS 107 HD2 LYS 107 -3.239 -12.643 -10.165 797 HD3 LYS 107 HD3 LYS 107 -1.913 -11.514 -9.878 798 HE2 LYS 107 HE2 LYS 107 -1.053 -13.756 -10.066 799 HE3 LYS 107 HE3 LYS 107 -0.841 -13.172 -8.419 800 HZ1 LYS 107 HZ1 LYS 107 -2.744 -15.185 -9.424 801 HZ2 LYS 107 HZ2 LYS 107 -3.034 -14.380 -7.969 802 HZ3 LYS 107 HZ3 LYS 107 -1.637 -15.315 -8.154 803 H LEU 108 H LEU 108 -3.972 -8.937 -5.562 804 HA LEU 108 HA LEU 108 -5.334 -6.408 -6.080 805 HB2 LEU 108 HB2 LEU 108 -4.883 -7.634 -3.768 806 HB3 LEU 108 HB3 LEU 108 -3.345 -6.812 -3.888 807 HG LEU 108 HG LEU 108 -4.565 -5.371 -2.576 808 HD11 LEU 108 HD11 LEU 108 -5.486 -4.145 -5.120 809 HD12 LEU 108 HD12 LEU 108 -3.758 -4.367 -4.849 810 HD13 LEU 108 HD13 LEU 108 -4.711 -3.407 -3.718 811 HD21 LEU 108 HD21 LEU 108 -6.873 -4.897 -2.727 812 HD22 LEU 108 HD22 LEU 108 -6.695 -6.643 -2.894 813 HD23 LEU 108 HD23 LEU 108 -6.993 -5.645 -4.318 814 H VAL 109 H VAL 109 -4.362 -5.076 -7.469 815 HA VAL 109 HA VAL 109 -1.425 -4.982 -7.439 816 HB VAL 109 HB VAL 109 -2.054 -5.743 -9.595 817 HG11 VAL 109 HG11 VAL 109 -3.667 -4.553 -11.040 818 HG12 VAL 109 HG12 VAL 109 -4.068 -3.507 -9.676 819 HG13 VAL 109 HG13 VAL 109 -4.404 -5.237 -9.587 820 HG21 VAL 109 HG21 VAL 109 -1.489 -2.784 -9.692 821 HG22 VAL 109 HG22 VAL 109 -1.375 -3.868 -11.079 822 HG23 VAL 109 HG23 VAL 109 -0.313 -4.100 -9.690 823 H GLU 110 H GLU 110 -0.729 -3.305 -6.374 824 HA GLU 110 HA GLU 110 -2.356 -0.863 -6.310 825 HB2 GLU 110 HB2 GLU 110 -0.131 -1.820 -4.502 826 HB3 GLU 110 HB3 GLU 110 -0.894 -0.242 -4.368 827 HG2 GLU 110 HG2 GLU 110 -2.903 -1.132 -3.631 828 HG3 GLU 110 HG3 GLU 110 -2.538 -2.736 -4.266 829 H ILE 111 H ILE 111 -1.686 0.947 -7.200 830 HA ILE 111 HA ILE 111 1.054 1.069 -8.277 831 HB ILE 111 HB ILE 111 -1.475 2.342 -9.355 832 HG12 ILE 111 HG12 ILE 111 -0.535 1.042 -11.458 833 HG13 ILE 111 HG13 ILE 111 0.257 0.058 -10.234 834 HG21 ILE 111 HG21 ILE 111 1.387 2.675 -10.231 835 HG22 ILE 111 HG22 ILE 111 0.320 3.919 -9.578 836 HG23 ILE 111 HG23 ILE 111 -0.010 3.215 -11.159 837 HD11 ILE 111 HD11 ILE 111 -1.776 -0.705 -9.383 838 HD12 ILE 111 HD12 ILE 111 -1.982 -0.729 -11.136 839 HD13 ILE 111 HD13 ILE 111 -2.693 0.573 -10.179 840 H SER 112 H SER 112 2.310 2.635 -7.512 841 HA SER 112 HA SER 112 1.053 4.922 -6.127 842 HB2 SER 112 HB2 SER 112 3.639 3.585 -5.308 843 HB3 SER 112 HB3 SER 112 2.778 4.857 -4.448 844 HG SER 112 HG SER 112 1.012 3.028 -4.636 845 H THR 113 H THR 113 1.359 6.562 -7.488 846 HA THR 113 HA THR 113 3.879 6.798 -8.945 847 HB THR 113 HB THR 113 1.834 8.916 -9.213 848 HG1 THR 113 HG1 THR 113 1.363 6.261 -10.162 849 HG21 THR 113 HG21 THR 113 3.353 7.201 -11.179 850 HG22 THR 113 HG22 THR 113 3.805 8.819 -10.648 851 HG23 THR 113 HG23 THR 113 2.335 8.582 -11.599 852 H SER 114 H SER 114 5.391 8.336 -8.521 853 HA SER 114 HA SER 114 4.764 10.555 -6.754 854 HB2 SER 114 HB2 SER 114 6.700 10.041 -5.257 855 HB3 SER 114 HB3 SER 114 5.399 8.854 -5.147 856 HG SER 114 HG SER 114 7.530 8.454 -6.935 857 H SER 115 H SER 115 5.475 12.237 -7.828 858 HA SER 115 HA SER 115 6.723 13.634 -9.107 859 HB2 SER 115 HB2 SER 115 9.061 12.038 -8.049 860 HB3 SER 115 HB3 SER 115 9.079 13.714 -8.607 861 HG SER 115 HG SER 115 7.622 14.179 -6.861 862 H GLY 116 H GLY 116 5.760 11.258 -10.453 863 HA2 GLY 116 HA2 GLY 116 6.005 10.957 -12.825 864 HA3 GLY 116 HA3 GLY 116 7.731 11.224 -12.639 865 H VAL 117 H VAL 117 7.914 9.423 -10.309 866 HA VAL 117 HA VAL 117 8.306 7.000 -11.808 867 HB VAL 117 HB VAL 117 8.677 7.540 -8.856 868 HG11 VAL 117 HG11 VAL 117 9.499 5.162 -10.519 869 HG12 VAL 117 HG12 VAL 117 8.304 5.180 -9.221 870 HG13 VAL 117 HG13 VAL 117 10.006 5.463 -8.856 871 HG21 VAL 117 HG21 VAL 117 10.663 7.409 -11.124 872 HG22 VAL 117 HG22 VAL 117 11.076 7.556 -9.417 873 HG23 VAL 117 HG23 VAL 117 10.191 8.849 -10.223 874 H VAL 118 H VAL 118 6.929 5.368 -12.007 875 HA VAL 118 HA VAL 118 4.570 5.335 -10.268 876 HB VAL 118 HB VAL 118 3.945 5.663 -12.557 877 HG11 VAL 118 HG11 VAL 118 4.485 3.866 -14.255 878 HG12 VAL 118 HG12 VAL 118 5.711 3.309 -13.112 879 HG13 VAL 118 HG13 VAL 118 5.805 4.939 -13.784 880 HG21 VAL 118 HG21 VAL 118 2.554 4.147 -11.184 881 HG22 VAL 118 HG22 VAL 118 3.444 2.778 -11.854 882 HG23 VAL 118 HG23 VAL 118 2.463 3.793 -12.911 883 H TYR 119 H TYR 119 4.864 3.979 -8.674 884 HA TYR 119 HA TYR 119 6.372 1.510 -8.988 885 HB2 TYR 119 HB2 TYR 119 6.779 2.771 -6.962 886 HB3 TYR 119 HB3 TYR 119 5.063 2.820 -6.596 887 HD1 TYR 119 HD1 TYR 119 7.503 0.099 -7.437 888 HD2 TYR 119 HD2 TYR 119 4.520 1.546 -4.772 889 HE1 TYR 119 HE1 TYR 119 7.721 -1.945 -6.090 890 HE2 TYR 119 HE2 TYR 119 4.731 -0.493 -3.421 891 HH TYR 119 HH TYR 119 7.253 -2.827 -3.996 892 H LYS 120 H LYS 120 5.487 -0.489 -9.074 893 HA LYS 120 HA LYS 120 2.596 -0.736 -8.663 894 HB2 LYS 120 HB2 LYS 120 4.239 -1.700 -10.995 895 HB3 LYS 120 HB3 LYS 120 2.627 -2.295 -10.652 896 HG2 LYS 120 HG2 LYS 120 1.634 -0.442 -11.403 897 HG3 LYS 120 HG3 LYS 120 2.868 0.615 -10.719 898 HD2 LYS 120 HD2 LYS 120 3.367 0.946 -12.898 899 HD3 LYS 120 HD3 LYS 120 4.299 -0.539 -12.676 900 HE2 LYS 120 HE2 LYS 120 2.311 -1.819 -13.440 901 HE3 LYS 120 HE3 LYS 120 1.505 -0.288 -13.789 902 HZ1 LYS 120 HZ1 LYS 120 2.614 -1.372 -15.730 903 HZ2 LYS 120 HZ2 LYS 120 4.111 -1.070 -14.990 904 HZ3 LYS 120 HZ3 LYS 120 3.107 0.219 -15.442 905 H ARG 121 H ARG 121 1.942 -2.607 -7.664 906 HA ARG 121 HA ARG 121 3.838 -4.810 -7.384 907 HB2 ARG 121 HB2 ARG 121 3.367 -4.890 -4.889 908 HB3 ARG 121 HB3 ARG 121 4.429 -3.598 -5.430 909 HG2 ARG 121 HG2 ARG 121 3.120 -2.126 -4.425 910 HG3 ARG 121 HG3 ARG 121 1.790 -2.597 -5.482 911 HD2 ARG 121 HD2 ARG 121 1.113 -2.808 -3.170 912 HD3 ARG 121 HD3 ARG 121 1.212 -4.404 -3.914 913 HE ARG 121 HE ARG 121 3.646 -4.073 -2.762 914 HH11 ARG 121 HH11 ARG 121 0.319 -3.817 -1.606 915 HH12 ARG 121 HH12 ARG 121 0.759 -4.327 0.072 916 HH21 ARG 121 HH21 ARG 121 4.231 -4.712 -0.647 917 HH22 ARG 121 HH22 ARG 121 2.943 -4.841 0.603 918 H THR 122 H THR 122 2.878 -6.694 -7.487 919 HA THR 122 HA THR 122 -0.056 -6.760 -7.363 920 HB THR 122 HB THR 122 1.773 -8.828 -8.587 921 HG1 THR 122 HG1 THR 122 2.147 -7.261 -9.969 922 HG21 THR 122 HG21 THR 122 -0.557 -9.488 -8.020 923 HG22 THR 122 HG22 THR 122 -0.185 -9.585 -9.740 924 HG23 THR 122 HG23 THR 122 -1.136 -8.237 -9.120 925 H SER 123 H SER 123 -1.050 -8.013 -5.883 926 HA SER 123 HA SER 123 0.634 -9.820 -4.279 927 HB2 SER 123 HB2 SER 123 -1.704 -8.215 -3.228 928 HB3 SER 123 HB3 SER 123 -0.548 -9.165 -2.295 929 HG SER 123 HG SER 123 -0.138 -6.732 -3.668 930 H LYS 124 H LYS 124 -0.140 -11.798 -3.848 931 HA LYS 124 HA LYS 124 -2.365 -12.742 -5.412 932 HB2 LYS 124 HB2 LYS 124 -1.744 -14.944 -4.594 933 HB3 LYS 124 HB3 LYS 124 -0.303 -14.075 -5.111 934 HG2 LYS 124 HG2 LYS 124 0.146 -13.502 -2.742 935 HG3 LYS 124 HG3 LYS 124 -1.241 -14.486 -2.281 936 HD2 LYS 124 HD2 LYS 124 -0.171 -16.461 -3.227 937 HD3 LYS 124 HD3 LYS 124 1.204 -15.480 -3.743 938 HE2 LYS 124 HE2 LYS 124 1.734 -14.955 -1.451 939 HE3 LYS 124 HE3 LYS 124 0.299 -15.810 -0.885 940 HZ1 LYS 124 HZ1 LYS 124 1.272 -17.856 -1.843 941 HZ2 LYS 124 HZ2 LYS 124 2.188 -17.196 -0.588 942 HZ3 LYS 124 HZ3 LYS 124 2.686 -16.994 -2.189 943 H LYS 125 H LYS 125 -4.203 -13.910 -4.534 944 HA LYS 125 HA LYS 125 -5.088 -12.757 -1.988 945 HB2 LYS 125 HB2 LYS 125 -6.400 -12.880 -4.362 946 HB3 LYS 125 HB3 LYS 125 -6.989 -14.348 -3.600 947 HG2 LYS 125 HG2 LYS 125 -7.238 -11.537 -2.550 948 HG3 LYS 125 HG3 LYS 125 -8.528 -12.570 -3.162 949 HD2 LYS 125 HD2 LYS 125 -7.030 -13.818 -1.003 950 HD3 LYS 125 HD3 LYS 125 -7.769 -12.294 -0.519 951 HE2 LYS 125 HE2 LYS 125 -9.943 -13.077 -1.275 952 HE3 LYS 125 HE3 LYS 125 -9.216 -14.578 -1.854 953 HZ1 LYS 125 HZ1 LYS 125 -9.508 -13.673 0.952 954 HZ2 LYS 125 HZ2 LYS 125 -8.491 -14.948 0.507 955 HZ3 LYS 125 HZ3 LYS 125 -10.154 -15.060 0.228 956 H ILE 126 H ILE 126 -5.105 -13.928 -0.236 957 HA ILE 126 HA ILE 126 -5.577 -16.804 -0.401 958 HB ILE 126 HB ILE 126 -3.611 -16.189 1.651 959 HG12 ILE 126 HG12 ILE 126 -1.801 -16.383 -0.355 960 HG13 ILE 126 HG13 ILE 126 -3.027 -15.389 -1.143 961 HG21 ILE 126 HG21 ILE 126 -4.188 -18.435 1.188 962 HG22 ILE 126 HG22 ILE 126 -2.528 -18.205 0.634 963 HG23 ILE 126 HG23 ILE 126 -3.849 -18.238 -0.532 964 HD11 ILE 126 HD11 ILE 126 -1.659 -14.780 1.468 965 HD12 ILE 126 HD12 ILE 126 -2.876 -13.780 0.677 966 HD13 ILE 126 HD13 ILE 126 -1.310 -14.031 -0.089 967 H ALA 127 H ALA 127 -5.943 -17.671 1.910 968 HA ALA 127 HA ALA 127 -6.992 -15.585 3.662 969 HB1 ALA 127 HB1 ALA 127 -8.540 -17.951 2.637 970 HB2 ALA 127 HB2 ALA 127 -8.973 -16.242 2.576 971 HB3 ALA 127 HB3 ALA 127 -8.983 -17.100 4.116 972 H11 CHO 200 H11 CHO 200 6.267 0.070 -1.168 973 H12 CHO 200 H12 CHO 200 6.894 -1.124 0.004 974 H21 CHO 200 H21 CHO 200 5.111 -0.537 1.586 975 H22 CHO 200 H22 CHO 200 4.421 -1.035 0.015 976 H3 CHO 200 H3 CHO 200 4.121 1.320 -0.622 977 HO3 CHO 200 HO3 CHO 200 3.121 0.734 2.040 978 H41 CHO 200 H41 CHO 200 5.190 1.910 2.178 979 H42 CHO 200 H42 CHO 200 4.566 3.111 1.018 980 H5 CHO 200 H5 CHO 200 6.350 2.495 -0.580 981 H61 CHO 200 H61 CHO 200 6.704 4.306 1.100 982 H62 CHO 200 H62 CHO 200 8.223 3.489 0.670 983 H7 CHO 200 H7 CHO 200 8.082 3.783 3.097 984 HO7 CHO 200 HO7 CHO 200 5.847 1.986 3.184 985 H8 CHO 200 H8 CHO 200 9.192 1.783 2.290 986 H9 CHO 200 H9 CHO 200 6.452 0.463 2.509 987 H111 CHO 200 H111 CHO 200 9.115 -0.719 1.661 988 H112 CHO 200 H112 CHO 200 7.527 -1.554 1.729 989 H121 CHO 200 H121 CHO 200 8.970 -2.074 3.696 990 H122 CHO 200 H122 CHO 200 7.440 -1.288 4.145 991 H14 CHO 200 H14 CHO 200 7.335 1.248 4.577 992 H151 CHO 200 H151 CHO 200 8.715 3.112 5.329 993 H152 CHO 200 H152 CHO 200 10.141 2.542 4.543 994 H161 CHO 200 H161 CHO 200 8.875 1.611 7.115 995 H162 CHO 200 H162 CHO 200 10.553 1.450 6.643 996 H17 CHO 200 H17 CHO 200 8.318 -0.508 6.259 997 H181 CHO 200 H181 CHO 200 10.836 1.231 3.739 998 H182 CHO 200 H182 CHO 200 10.543 -0.151 2.656 999 H183 CHO 200 H183 CHO 200 11.296 -0.412 4.247 1000 H191 CHO 200 H191 CHO 200 8.829 2.101 -0.231 1001 H192 CHO 200 H192 CHO 200 8.505 0.595 -1.124 1002 H193 CHO 200 H193 CHO 200 9.326 0.536 0.454 1003 H20 CHO 200 H20 CHO 200 11.284 -0.742 6.036 1004 H211 CHO 200 H211 CHO 200 9.904 -3.194 6.585 1005 H212 CHO 200 H212 CHO 200 10.979 -2.790 5.224 1006 H213 CHO 200 H213 CHO 200 9.232 -2.473 5.103 1007 H221 CHO 200 H221 CHO 200 9.266 -1.441 8.206 1008 H222 CHO 200 H222 CHO 200 10.495 -0.132 8.260 1009 H231 CHO 200 H231 CHO 200 12.292 -1.790 8.157 1010 H232 CHO 200 H232 CHO 200 11.088 -3.104 8.079 1011 HN CHO 200 HN CHO 200 11.724 -4.112 10.026 1012 H261 CHO 200 H261 CHO 200 11.771 -4.500 12.251 1013 H262 CHO 200 H262 CHO 200 10.424 -3.336 12.364 1014 H11 CHO 201 H11 CHO 201 -6.289 4.423 0.467 1015 H12 CHO 201 H12 CHO 201 -4.933 5.385 -0.181 1016 H21 CHO 201 H21 CHO 201 -3.848 3.342 -1.006 1017 H22 CHO 201 H22 CHO 201 -5.507 3.479 -1.658 1018 H3 CHO 201 H3 CHO 201 -6.326 1.904 0.044 1019 HO3 CHO 201 HO3 CHO 201 -3.935 0.949 -1.292 1020 H41 CHO 201 H41 CHO 201 -3.396 1.738 0.885 1021 H42 CHO 201 H42 CHO 201 -4.729 0.755 1.538 1022 H5 CHO 201 H5 CHO 201 -5.860 2.808 2.320 1023 H61 CHO 201 H61 CHO 201 -4.258 1.594 3.796 1024 H62 CHO 201 H62 CHO 201 -4.334 3.341 4.152 1025 H7 CHO 201 H7 CHO 201 -2.020 2.637 4.150 1026 HO7 CHO 201 HO7 CHO 201 -1.099 1.683 2.225 1027 H8 CHO 201 H8 CHO 201 -2.418 4.841 3.269 1028 H9 CHO 201 H9 CHO 201 -2.684 3.453 0.559 1029 H111 CHO 201 H111 CHO 201 -2.854 6.401 1.224 1030 H112 CHO 201 H112 CHO 201 -3.044 5.623 -0.385 1031 H121 CHO 201 H121 CHO 201 -0.789 6.642 -0.079 1032 H122 CHO 201 H122 CHO 201 -0.719 4.893 -0.354 1033 H14 CHO 201 H14 CHO 201 -0.514 3.247 1.603 1034 H151 CHO 201 H151 CHO 201 0.295 3.120 3.932 1035 H152 CHO 201 H152 CHO 201 -0.055 4.763 4.277 1036 H161 CHO 201 H161 CHO 201 2.102 3.582 2.457 1037 H162 CHO 201 H162 CHO 201 2.254 4.985 3.491 1038 H17 CHO 201 H17 CHO 201 1.520 4.938 0.661 1039 H181 CHO 201 H181 CHO 201 -0.710 7.550 2.193 1040 H182 CHO 201 H182 CHO 201 -0.058 6.573 3.532 1041 H183 CHO 201 H183 CHO 201 -1.754 6.376 3.029 1042 H191 CHO 201 H191 CHO 201 -4.722 6.259 2.113 1043 H192 CHO 201 H192 CHO 201 -4.104 5.213 3.414 1044 H193 CHO 201 H193 CHO 201 -5.812 5.112 2.927 1045 H20 CHO 201 H20 CHO 201 1.577 7.237 2.587 1046 H211 CHO 201 H211 CHO 201 1.249 6.979 -0.360 1047 H212 CHO 201 H212 CHO 201 2.341 8.256 0.226 1048 H213 CHO 201 H213 CHO 201 0.645 8.220 0.762 1049 H221 CHO 201 H221 CHO 201 3.741 6.032 0.819 1050 H222 CHO 201 H222 CHO 201 3.650 5.930 2.611 1051 H231 CHO 201 H231 CHO 201 3.748 8.425 2.699 1052 H232 CHO 201 H232 CHO 201 4.028 8.430 0.935 1053 HN CHO 201 HN CHO 201 5.242 5.796 2.927 1054 H261 CHO 201 H261 CHO 201 8.006 6.552 2.283 1055 H262 CHO 201 H262 CHO 201 7.419 4.979 2.868 Start of MODEL 12 1 H ALA 1 H ALA 1 -15.718 -8.052 -3.935 2 HA ALA 1 HA ALA 1 -13.709 -9.199 -4.498 3 HB1 ALA 1 HB1 ALA 1 -13.812 -6.467 -5.770 4 HB2 ALA 1 HB2 ALA 1 -14.814 -7.846 -6.226 5 HB3 ALA 1 HB3 ALA 1 -13.066 -7.910 -6.453 6 H PHE 2 H PHE 2 -13.281 -6.596 -2.457 7 HA PHE 2 HA PHE 2 -10.375 -6.570 -2.811 8 HB2 PHE 2 HB2 PHE 2 -12.316 -4.678 -1.530 9 HB3 PHE 2 HB3 PHE 2 -10.624 -4.649 -1.047 10 HD1 PHE 2 HD1 PHE 2 -8.887 -4.424 -2.953 11 HD2 PHE 2 HD2 PHE 2 -13.013 -3.459 -3.372 12 HE1 PHE 2 HE1 PHE 2 -8.356 -3.027 -4.907 13 HE2 PHE 2 HE2 PHE 2 -12.488 -2.063 -5.330 14 HZ PHE 2 HZ PHE 2 -10.159 -1.843 -6.100 15 H THR 3 H THR 3 -12.862 -7.585 -0.599 16 HA THR 3 HA THR 3 -11.387 -7.804 1.750 17 HB THR 3 HB THR 3 -13.464 -9.835 1.010 18 HG1 THR 3 HG1 THR 3 -15.007 -8.340 1.008 19 HG21 THR 3 HG21 THR 3 -12.849 -8.284 3.528 20 HG22 THR 3 HG22 THR 3 -12.422 -9.969 3.215 21 HG23 THR 3 HG23 THR 3 -14.118 -9.497 3.356 22 H GLY 4 H GLY 4 -10.176 -9.435 2.669 23 HA2 GLY 4 HA2 GLY 4 -9.668 -11.908 2.468 24 HA3 GLY 4 HA3 GLY 4 -9.292 -11.524 0.799 25 H LYS 5 H LYS 5 -7.318 -12.714 2.070 26 HA LYS 5 HA LYS 5 -5.544 -10.608 3.083 27 HB2 LYS 5 HB2 LYS 5 -4.563 -12.172 4.387 28 HB3 LYS 5 HB3 LYS 5 -5.962 -13.164 4.018 29 HG2 LYS 5 HG2 LYS 5 -4.644 -14.037 2.039 30 HG3 LYS 5 HG3 LYS 5 -3.238 -13.259 2.767 31 HD2 LYS 5 HD2 LYS 5 -4.978 -15.257 4.207 32 HD3 LYS 5 HD3 LYS 5 -3.523 -15.699 3.313 33 HE2 LYS 5 HE2 LYS 5 -2.281 -14.052 4.777 34 HE3 LYS 5 HE3 LYS 5 -3.739 -13.950 5.761 35 HZ1 LYS 5 HZ1 LYS 5 -2.369 -16.512 5.175 36 HZ2 LYS 5 HZ2 LYS 5 -3.566 -16.223 6.331 37 HZ3 LYS 5 HZ3 LYS 5 -2.016 -15.574 6.539 38 H TYR 6 H TYR 6 -3.627 -10.116 2.050 39 HA TYR 6 HA TYR 6 -3.226 -11.375 -0.590 40 HB2 TYR 6 HB2 TYR 6 -2.858 -8.469 0.155 41 HB3 TYR 6 HB3 TYR 6 -2.410 -9.166 -1.390 42 HD1 TYR 6 HD1 TYR 6 -4.207 -10.080 -2.873 43 HD2 TYR 6 HD2 TYR 6 -5.065 -7.756 0.579 44 HE1 TYR 6 HE1 TYR 6 -6.455 -9.614 -3.751 45 HE2 TYR 6 HE2 TYR 6 -7.316 -7.287 -0.284 46 HH TYR 6 HH TYR 6 -8.730 -7.572 -1.938 47 H GLU 7 H GLU 7 -1.080 -11.565 -1.290 48 HA GLU 7 HA GLU 7 0.989 -10.981 0.709 49 HB2 GLU 7 HB2 GLU 7 0.318 -13.607 -0.531 50 HB3 GLU 7 HB3 GLU 7 2.014 -13.228 -0.258 51 HG2 GLU 7 HG2 GLU 7 0.705 -12.564 2.118 52 HG3 GLU 7 HG3 GLU 7 0.011 -14.099 1.599 53 H PHE 8 H PHE 8 3.004 -10.547 -0.091 54 HA PHE 8 HA PHE 8 3.262 -9.130 -2.437 55 HB2 PHE 8 HB2 PHE 8 4.849 -9.351 -0.386 56 HB3 PHE 8 HB3 PHE 8 5.574 -10.675 -1.287 57 HD1 PHE 8 HD1 PHE 8 6.187 -10.051 -3.802 58 HD2 PHE 8 HD2 PHE 8 5.752 -7.273 -0.608 59 HE1 PHE 8 HE1 PHE 8 7.618 -8.451 -5.005 60 HE2 PHE 8 HE2 PHE 8 7.178 -5.670 -1.803 61 HZ PHE 8 HZ PHE 8 8.118 -6.259 -3.999 62 H GLU 9 H GLU 9 3.009 -9.805 -4.469 63 HA GLU 9 HA GLU 9 3.827 -12.544 -5.156 64 HB2 GLU 9 HB2 GLU 9 1.457 -11.914 -5.620 65 HB3 GLU 9 HB3 GLU 9 2.036 -10.675 -6.725 66 HG2 GLU 9 HG2 GLU 9 1.731 -12.280 -8.260 67 HG3 GLU 9 HG3 GLU 9 3.324 -12.807 -7.720 68 H SER 10 H SER 10 3.850 -9.242 -6.482 69 HA SER 10 HA SER 10 6.545 -9.614 -7.455 70 HB2 SER 10 HB2 SER 10 4.210 -9.277 -9.334 71 HB3 SER 10 HB3 SER 10 5.871 -8.960 -9.813 72 HG SER 10 HG SER 10 5.521 -11.382 -8.564 73 H ASP 11 H ASP 11 7.442 -7.584 -8.376 74 HA ASP 11 HA ASP 11 5.969 -5.152 -7.746 75 HB2 ASP 11 HB2 ASP 11 7.564 -4.278 -6.220 76 HB3 ASP 11 HB3 ASP 11 7.208 -5.906 -5.659 77 H GLU 12 H GLU 12 6.786 -3.313 -8.755 78 HA GLU 12 HA GLU 12 9.067 -3.694 -10.555 79 HB2 GLU 12 HB2 GLU 12 7.395 -4.032 -12.106 80 HB3 GLU 12 HB3 GLU 12 6.270 -3.009 -11.248 81 HG2 GLU 12 HG2 GLU 12 7.546 -1.032 -11.998 82 HG3 GLU 12 HG3 GLU 12 8.565 -2.104 -12.954 83 H ASN 13 H ASN 13 10.261 -1.922 -10.941 84 HA ASN 13 HA ASN 13 11.271 0.071 -10.552 85 HB2 ASN 13 HB2 ASN 13 8.375 0.841 -10.466 86 HB3 ASN 13 HB3 ASN 13 9.608 2.038 -10.089 87 HD21 ASN 13 HD21 ASN 13 7.690 1.837 -12.314 88 HD22 ASN 13 HD22 ASN 13 8.650 1.911 -13.756 89 H TYR 14 H TYR 14 11.099 -1.700 -8.347 90 HA TYR 14 HA TYR 14 10.242 -0.422 -5.982 91 HB2 TYR 14 HB2 TYR 14 10.679 -2.856 -6.147 92 HB3 TYR 14 HB3 TYR 14 12.401 -2.520 -6.269 93 HD1 TYR 14 HD1 TYR 14 9.488 -2.533 -4.035 94 HD2 TYR 14 HD2 TYR 14 13.682 -1.865 -4.321 95 HE1 TYR 14 HE1 TYR 14 9.656 -2.546 -1.580 96 HE2 TYR 14 HE2 TYR 14 13.856 -1.869 -1.871 97 HH TYR 14 HH TYR 14 12.789 -2.060 0.044 98 H ASP 15 H ASP 15 13.589 -0.923 -7.133 99 HA ASP 15 HA ASP 15 14.836 0.700 -5.230 100 HB2 ASP 15 HB2 ASP 15 16.003 0.637 -7.978 101 HB3 ASP 15 HB3 ASP 15 16.793 0.460 -6.416 102 H ASP 16 H ASP 16 13.398 1.483 -8.319 103 HA ASP 16 HA ASP 16 14.385 4.129 -8.505 104 HB2 ASP 16 HB2 ASP 16 11.913 2.850 -9.684 105 HB3 ASP 16 HB3 ASP 16 12.496 4.452 -10.125 106 H PHE 17 H PHE 17 11.352 2.784 -7.264 107 HA PHE 17 HA PHE 17 10.163 5.241 -6.575 108 HB2 PHE 17 HB2 PHE 17 8.979 3.053 -6.820 109 HB3 PHE 17 HB3 PHE 17 9.694 2.542 -5.297 110 HD1 PHE 17 HD1 PHE 17 7.745 5.425 -6.655 111 HD2 PHE 17 HD2 PHE 17 8.414 2.745 -3.416 112 HE1 PHE 17 HE1 PHE 17 5.861 6.430 -5.440 113 HE2 PHE 17 HE2 PHE 17 6.525 3.746 -2.195 114 HZ PHE 17 HZ PHE 17 5.246 5.589 -3.209 115 H VAL 18 H VAL 18 11.867 2.853 -4.551 116 HA VAL 18 HA VAL 18 11.669 4.324 -2.164 117 HB VAL 18 HB VAL 18 13.435 2.883 -1.285 118 HG11 VAL 18 HG11 VAL 18 11.438 1.390 -2.972 119 HG12 VAL 18 HG12 VAL 18 11.131 2.076 -1.377 120 HG13 VAL 18 HG13 VAL 18 12.286 0.756 -1.561 121 HG21 VAL 18 HG21 VAL 18 14.898 2.757 -3.224 122 HG22 VAL 18 HG22 VAL 18 13.667 1.853 -4.108 123 HG23 VAL 18 HG23 VAL 18 14.437 1.140 -2.692 124 H LYS 19 H LYS 19 14.081 4.447 -4.738 125 HA LYS 19 HA LYS 19 15.865 6.117 -3.226 126 HB2 LYS 19 HB2 LYS 19 15.754 5.177 -6.078 127 HB3 LYS 19 HB3 LYS 19 16.841 6.487 -5.626 128 HG2 LYS 19 HG2 LYS 19 16.825 3.776 -4.327 129 HG3 LYS 19 HG3 LYS 19 17.914 4.251 -5.635 130 HD2 LYS 19 HD2 LYS 19 19.218 5.470 -4.263 131 HD3 LYS 19 HD3 LYS 19 17.849 6.092 -3.340 132 HE2 LYS 19 HE2 LYS 19 18.528 4.737 -1.703 133 HE3 LYS 19 HE3 LYS 19 17.891 3.418 -2.680 134 HZ1 LYS 19 HZ1 LYS 19 20.680 4.406 -2.631 135 HZ2 LYS 19 HZ2 LYS 19 20.104 3.240 -3.717 136 HZ3 LYS 19 HZ3 LYS 19 20.120 2.921 -2.055 137 H LYS 20 H LYS 20 13.133 6.581 -5.266 138 HA LYS 20 HA LYS 20 13.665 9.327 -5.886 139 HB2 LYS 20 HB2 LYS 20 12.245 7.666 -7.225 140 HB3 LYS 20 HB3 LYS 20 10.986 7.970 -6.037 141 HG2 LYS 20 HG2 LYS 20 10.541 9.379 -7.865 142 HG3 LYS 20 HG3 LYS 20 11.192 10.407 -6.588 143 HD2 LYS 20 HD2 LYS 20 13.402 10.323 -7.657 144 HD3 LYS 20 HD3 LYS 20 12.731 9.314 -8.941 145 HE2 LYS 20 HE2 LYS 20 11.192 11.108 -9.544 146 HE3 LYS 20 HE3 LYS 20 11.860 12.116 -8.261 147 HZ1 LYS 20 HZ1 LYS 20 12.807 12.672 -10.411 148 HZ2 LYS 20 HZ2 LYS 20 13.362 11.089 -10.612 149 HZ3 LYS 20 HZ3 LYS 20 14.002 12.056 -9.382 150 H ILE 21 H ILE 21 11.505 7.616 -3.635 151 HA ILE 21 HA ILE 21 10.409 10.047 -2.587 152 HB ILE 21 HB ILE 21 9.386 8.595 -0.853 153 HG12 ILE 21 HG12 ILE 21 10.673 6.309 -2.354 154 HG13 ILE 21 HG13 ILE 21 11.275 6.922 -0.820 155 HG21 ILE 21 HG21 ILE 21 9.083 7.640 -3.698 156 HG22 ILE 21 HG22 ILE 21 8.255 9.019 -2.973 157 HG23 ILE 21 HG23 ILE 21 7.917 7.383 -2.400 158 HD11 ILE 21 HD11 ILE 21 9.161 6.322 0.240 159 HD12 ILE 21 HD12 ILE 21 9.934 4.931 -0.517 160 HD13 ILE 21 HD13 ILE 21 8.564 5.715 -1.305 161 H GLY 22 H GLY 22 13.279 8.299 -1.987 162 HA2 GLY 22 HA2 GLY 22 15.056 9.113 -0.689 163 HA3 GLY 22 HA3 GLY 22 13.928 10.175 0.142 164 H LEU 23 H LEU 23 13.310 6.770 -0.270 165 HA LEU 23 HA LEU 23 12.881 6.334 2.484 166 HB2 LEU 23 HB2 LEU 23 11.915 5.021 0.549 167 HB3 LEU 23 HB3 LEU 23 13.485 4.258 0.375 168 HG LEU 23 HG LEU 23 13.248 3.361 2.694 169 HD11 LEU 23 HD11 LEU 23 11.397 3.652 3.968 170 HD12 LEU 23 HD12 LEU 23 10.339 3.894 2.579 171 HD13 LEU 23 HD13 LEU 23 11.391 5.201 3.124 172 HD21 LEU 23 HD21 LEU 23 10.858 2.428 1.216 173 HD22 LEU 23 HD22 LEU 23 12.178 1.507 1.938 174 HD23 LEU 23 HD23 LEU 23 12.413 2.329 0.398 175 HA PRO 24 HA PRO 24 17.080 5.837 3.857 176 HB2 PRO 24 HB2 PRO 24 16.584 4.237 6.035 177 HB3 PRO 24 HB3 PRO 24 16.371 5.996 6.023 178 HG2 PRO 24 HG2 PRO 24 14.337 3.851 5.692 179 HG3 PRO 24 HG3 PRO 24 14.256 5.360 6.617 180 HD2 PRO 24 HD2 PRO 24 13.078 5.123 4.229 181 HD3 PRO 24 HD3 PRO 24 13.830 6.648 4.742 182 H ALA 25 H ALA 25 18.644 4.469 3.360 183 HA ALA 25 HA ALA 25 18.289 2.178 1.828 184 HB1 ALA 25 HB1 ALA 25 20.372 3.284 1.735 185 HB2 ALA 25 HB2 ALA 25 20.698 1.701 2.445 186 HB3 ALA 25 HB3 ALA 25 20.614 3.130 3.474 187 H ASP 26 H ASP 26 18.780 2.524 5.279 188 HA ASP 26 HA ASP 26 19.231 -0.076 6.048 189 HB2 ASP 26 HB2 ASP 26 17.640 2.056 7.488 190 HB3 ASP 26 HB3 ASP 26 18.245 0.586 8.235 191 H LYS 27 H LYS 27 16.094 1.526 5.552 192 HA LYS 27 HA LYS 27 14.707 -0.941 6.204 193 HB2 LYS 27 HB2 LYS 27 13.406 1.567 5.184 194 HB3 LYS 27 HB3 LYS 27 12.700 0.268 6.142 195 HG2 LYS 27 HG2 LYS 27 14.953 1.836 7.286 196 HG3 LYS 27 HG3 LYS 27 13.345 2.553 7.232 197 HD2 LYS 27 HD2 LYS 27 12.495 0.476 8.377 198 HD3 LYS 27 HD3 LYS 27 14.183 0.009 8.609 199 HE2 LYS 27 HE2 LYS 27 14.609 1.893 9.983 200 HE3 LYS 27 HE3 LYS 27 13.083 2.657 9.530 201 HZ1 LYS 27 HZ1 LYS 27 11.920 0.869 10.703 202 HZ2 LYS 27 HZ2 LYS 27 12.951 1.720 11.734 203 HZ3 LYS 27 HZ3 LYS 27 13.399 0.194 11.164 204 H ILE 28 H ILE 28 15.766 0.788 3.421 205 HA ILE 28 HA ILE 28 13.950 -0.107 1.497 206 HB ILE 28 HB ILE 28 16.831 0.732 1.369 207 HG12 ILE 28 HG12 ILE 28 14.304 1.863 0.178 208 HG13 ILE 28 HG13 ILE 28 15.111 2.451 1.629 209 HG21 ILE 28 HG21 ILE 28 15.223 -0.431 -0.879 210 HG22 ILE 28 HG22 ILE 28 16.847 -0.862 -0.346 211 HG23 ILE 28 HG23 ILE 28 16.564 0.678 -1.157 212 HD11 ILE 28 HD11 ILE 28 15.581 3.830 -0.361 213 HD12 ILE 28 HD12 ILE 28 16.340 2.432 -1.123 214 HD13 ILE 28 HD13 ILE 28 17.032 3.121 0.343 215 H GLU 29 H GLU 29 17.159 -1.467 2.300 216 HA GLU 29 HA GLU 29 16.769 -3.789 0.680 217 HB2 GLU 29 HB2 GLU 29 18.780 -3.442 2.899 218 HB3 GLU 29 HB3 GLU 29 18.893 -4.518 1.511 219 HG2 GLU 29 HG2 GLU 29 18.891 -2.455 0.069 220 HG3 GLU 29 HG3 GLU 29 19.095 -1.523 1.550 221 H MET 30 H MET 30 16.242 -2.995 4.025 222 HA MET 30 HA MET 30 15.946 -5.642 4.977 223 HB2 MET 30 HB2 MET 30 16.440 -3.860 6.512 224 HB3 MET 30 HB3 MET 30 15.008 -2.977 6.023 225 HG2 MET 30 HG2 MET 30 14.060 -5.437 6.915 226 HG3 MET 30 HG3 MET 30 15.318 -4.978 8.062 227 HE1 MET 30 HE1 MET 30 13.165 -3.175 5.762 228 HE2 MET 30 HE2 MET 30 12.486 -1.841 6.686 229 HE3 MET 30 HE3 MET 30 11.642 -3.389 6.623 230 H GLY 31 H GLY 31 13.793 -3.394 3.395 231 HA2 GLY 31 HA2 GLY 31 11.535 -5.245 3.852 232 HA3 GLY 31 HA3 GLY 31 11.370 -3.531 3.510 233 H ARG 32 H ARG 32 13.633 -5.525 1.769 234 HA ARG 32 HA ARG 32 11.982 -5.109 -0.631 235 HB2 ARG 32 HB2 ARG 32 13.937 -5.104 -1.966 236 HB3 ARG 32 HB3 ARG 32 14.299 -4.079 -0.583 237 HG2 ARG 32 HG2 ARG 32 15.616 -5.821 0.423 238 HG3 ARG 32 HG3 ARG 32 15.140 -6.962 -0.832 239 HD2 ARG 32 HD2 ARG 32 16.328 -5.758 -2.499 240 HD3 ARG 32 HD3 ARG 32 16.618 -4.409 -1.404 241 HE ARG 32 HE ARG 32 17.725 -6.819 -0.378 242 HH11 ARG 32 HH11 ARG 32 18.212 -4.333 -2.816 243 HH12 ARG 32 HH12 ARG 32 20.008 -4.504 -2.815 244 HH21 ARG 32 HH21 ARG 32 20.006 -7.095 -0.341 245 HH22 ARG 32 HH22 ARG 32 21.012 -6.060 -1.426 246 H ASN 33 H ASN 33 11.308 -6.771 -1.818 247 HA ASN 33 HA ASN 33 10.822 -8.904 -2.436 248 HB2 ASN 33 HB2 ASN 33 13.558 -8.769 -2.428 249 HB3 ASN 33 HB3 ASN 33 13.276 -10.122 -1.334 250 HD21 ASN 33 HD21 ASN 33 12.878 -8.912 -4.561 251 HD22 ASN 33 HD22 ASN 33 12.557 -10.442 -5.300 252 H CYS 34 H CYS 34 10.368 -7.878 0.341 253 HA CYS 34 HA CYS 34 10.466 -10.290 1.968 254 HB2 CYS 34 HB2 CYS 34 9.618 -8.789 3.751 255 HB3 CYS 34 HB3 CYS 34 11.094 -8.192 3.008 256 HG CYS 34 HG CYS 34 10.091 -6.043 1.841 257 H LYS 35 H LYS 35 8.483 -10.998 3.127 258 HA LYS 35 HA LYS 35 6.253 -10.988 1.255 259 HB2 LYS 35 HB2 LYS 35 5.371 -12.866 2.625 260 HB3 LYS 35 HB3 LYS 35 6.937 -13.178 1.901 261 HG2 LYS 35 HG2 LYS 35 8.039 -13.125 3.932 262 HG3 LYS 35 HG3 LYS 35 6.780 -12.165 4.715 263 HD2 LYS 35 HD2 LYS 35 6.379 -15.004 3.774 264 HD3 LYS 35 HD3 LYS 35 6.872 -14.579 5.413 265 HE2 LYS 35 HE2 LYS 35 4.810 -13.870 5.986 266 HE3 LYS 35 HE3 LYS 35 4.512 -13.139 4.413 267 HZ1 LYS 35 HZ1 LYS 35 3.356 -15.405 5.315 268 HZ2 LYS 35 HZ2 LYS 35 4.594 -16.011 4.341 269 HZ3 LYS 35 HZ3 LYS 35 3.448 -14.945 3.687 270 H ILE 36 H ILE 36 5.106 -9.180 1.553 271 HA ILE 36 HA ILE 36 4.236 -8.430 4.231 272 HB ILE 36 HB ILE 36 3.552 -7.002 1.662 273 HG12 ILE 36 HG12 ILE 36 5.979 -7.101 1.817 274 HG13 ILE 36 HG13 ILE 36 5.420 -5.470 2.166 275 HG21 ILE 36 HG21 ILE 36 3.669 -6.029 4.512 276 HG22 ILE 36 HG22 ILE 36 2.196 -6.485 3.654 277 HG23 ILE 36 HG23 ILE 36 3.145 -5.101 3.104 278 HD11 ILE 36 HD11 ILE 36 7.162 -6.052 3.697 279 HD12 ILE 36 HD12 ILE 36 6.319 -7.530 4.159 280 HD13 ILE 36 HD13 ILE 36 5.635 -5.959 4.572 281 H VAL 37 H VAL 37 2.314 -9.016 4.998 282 HA VAL 37 HA VAL 37 0.356 -10.149 3.131 283 HB VAL 37 HB VAL 37 0.106 -10.224 6.122 284 HG11 VAL 37 HG11 VAL 37 -1.243 -12.170 5.722 285 HG12 VAL 37 HG12 VAL 37 -0.864 -12.121 4.001 286 HG13 VAL 37 HG13 VAL 37 -1.831 -10.837 4.727 287 HG21 VAL 37 HG21 VAL 37 2.357 -11.113 5.351 288 HG22 VAL 37 HG22 VAL 37 1.455 -12.385 4.527 289 HG23 VAL 37 HG23 VAL 37 1.351 -12.225 6.279 290 H THR 38 H THR 38 -1.480 -9.121 2.684 291 HA THR 38 HA THR 38 -2.136 -6.718 4.260 292 HB THR 38 HB THR 38 -2.978 -7.189 1.406 293 HG1 THR 38 HG1 THR 38 -0.739 -7.063 1.334 294 HG21 THR 38 HG21 THR 38 -3.139 -4.661 1.504 295 HG22 THR 38 HG22 THR 38 -2.942 -4.815 3.250 296 HG23 THR 38 HG23 THR 38 -4.329 -5.555 2.452 297 H GLU 39 H GLU 39 -3.767 -7.211 5.599 298 HA GLU 39 HA GLU 39 -5.825 -9.082 4.694 299 HB2 GLU 39 HB2 GLU 39 -5.363 -7.880 7.429 300 HB3 GLU 39 HB3 GLU 39 -6.566 -9.100 7.036 301 HG2 GLU 39 HG2 GLU 39 -4.713 -10.608 6.336 302 HG3 GLU 39 HG3 GLU 39 -3.579 -9.402 6.947 303 H VAL 40 H VAL 40 -7.555 -8.293 3.769 304 HA VAL 40 HA VAL 40 -8.440 -5.570 4.468 305 HB VAL 40 HB VAL 40 -8.967 -7.150 1.945 306 HG11 VAL 40 HG11 VAL 40 -10.815 -5.645 2.548 307 HG12 VAL 40 HG12 VAL 40 -9.983 -5.123 1.082 308 HG13 VAL 40 HG13 VAL 40 -9.682 -4.296 2.610 309 HG21 VAL 40 HG21 VAL 40 -6.665 -6.403 2.040 310 HG22 VAL 40 HG22 VAL 40 -7.182 -4.771 2.465 311 HG23 VAL 40 HG23 VAL 40 -7.554 -5.425 0.871 312 H VAL 41 H VAL 41 -10.259 -5.432 5.602 313 HA VAL 41 HA VAL 41 -12.169 -7.673 5.499 314 HB VAL 41 HB VAL 41 -11.758 -5.606 7.666 315 HG11 VAL 41 HG11 VAL 41 -13.410 -6.912 8.948 316 HG12 VAL 41 HG12 VAL 41 -13.728 -7.876 7.506 317 HG13 VAL 41 HG13 VAL 41 -14.095 -6.151 7.511 318 HG21 VAL 41 HG21 VAL 41 -11.014 -7.493 9.034 319 HG22 VAL 41 HG22 VAL 41 -10.006 -7.308 7.600 320 HG23 VAL 41 HG23 VAL 41 -11.228 -8.577 7.660 321 H GLN 42 H GLN 42 -14.196 -7.277 4.745 322 HA GLN 42 HA GLN 42 -14.728 -4.683 3.610 323 HB2 GLN 42 HB2 GLN 42 -15.347 -6.567 2.289 324 HB3 GLN 42 HB3 GLN 42 -16.234 -7.296 3.622 325 HG2 GLN 42 HG2 GLN 42 -17.788 -6.416 2.052 326 HG3 GLN 42 HG3 GLN 42 -17.847 -5.425 3.512 327 HE21 GLN 42 HE21 GLN 42 -17.129 -5.538 0.162 328 HE22 GLN 42 HE22 GLN 42 -16.803 -3.855 -0.045 329 H ASN 43 H ASN 43 -15.588 -3.084 4.725 330 HA ASN 43 HA ASN 43 -17.748 -3.698 6.633 331 HB2 ASN 43 HB2 ASN 43 -15.565 -1.620 6.974 332 HB3 ASN 43 HB3 ASN 43 -16.952 -1.805 8.039 333 HD21 ASN 43 HD21 ASN 43 -13.912 -2.140 8.145 334 HD22 ASN 43 HD22 ASN 43 -13.714 -3.614 9.036 335 H GLY 44 H GLY 44 -18.904 -3.259 4.519 336 HA2 GLY 44 HA2 GLY 44 -20.314 -1.887 3.337 337 HA3 GLY 44 HA3 GLY 44 -20.056 -0.673 4.586 338 H ASN 45 H ASN 45 -18.482 0.899 4.310 339 HA ASN 45 HA ASN 45 -17.225 0.979 1.640 340 HB2 ASN 45 HB2 ASN 45 -18.816 3.010 3.065 341 HB3 ASN 45 HB3 ASN 45 -17.305 3.612 2.379 342 HD21 ASN 45 HD21 ASN 45 -19.120 0.960 0.996 343 HD22 ASN 45 HD22 ASN 45 -19.625 1.804 -0.431 344 H ASP 46 H ASP 46 -16.658 0.501 4.784 345 HA ASP 46 HA ASP 46 -14.119 1.977 4.851 346 HB2 ASP 46 HB2 ASP 46 -15.661 2.163 6.803 347 HB3 ASP 46 HB3 ASP 46 -15.503 0.434 7.062 348 H PHE 47 H PHE 47 -12.536 0.885 3.895 349 HA PHE 47 HA PHE 47 -12.422 -2.026 4.261 350 HB2 PHE 47 HB2 PHE 47 -11.070 -0.210 2.251 351 HB3 PHE 47 HB3 PHE 47 -10.746 -1.935 2.391 352 HD1 PHE 47 HD1 PHE 47 -13.262 0.580 1.479 353 HD2 PHE 47 HD2 PHE 47 -12.282 -3.560 1.559 354 HE1 PHE 47 HE1 PHE 47 -15.155 0.108 -0.018 355 HE2 PHE 47 HE2 PHE 47 -14.177 -4.039 0.064 356 HZ PHE 47 HZ PHE 47 -15.614 -2.204 -0.728 357 H THR 48 H THR 48 -10.897 -2.912 5.461 358 HA THR 48 HA THR 48 -9.007 -1.139 6.784 359 HB THR 48 HB THR 48 -8.525 -3.440 8.009 360 HG1 THR 48 HG1 THR 48 -11.234 -3.889 7.494 361 HG21 THR 48 HG21 THR 48 -9.369 -1.580 9.217 362 HG22 THR 48 HG22 THR 48 -10.489 -2.905 9.532 363 HG23 THR 48 HG23 THR 48 -10.916 -1.645 8.377 364 H TRP 49 H TRP 49 -6.947 -1.031 6.222 365 HA TRP 49 HA TRP 49 -5.879 -3.108 4.427 366 HB2 TRP 49 HB2 TRP 49 -5.982 -0.333 4.096 367 HB3 TRP 49 HB3 TRP 49 -4.314 -0.660 4.550 368 HD1 TRP 49 HD1 TRP 49 -2.752 -1.560 2.685 369 HE1 TRP 49 HE1 TRP 49 -3.079 -2.301 0.238 370 HE3 TRP 49 HE3 TRP 49 -7.867 -1.538 2.509 371 HZ2 TRP 49 HZ2 TRP 49 -5.224 -2.805 -1.525 372 HZ3 TRP 49 HZ3 TRP 49 -8.976 -2.157 0.404 373 HH2 TRP 49 HH2 TRP 49 -7.679 -2.775 -1.568 374 H THR 50 H THR 50 -4.850 -4.509 5.727 375 HA THR 50 HA THR 50 -3.138 -3.441 7.864 376 HB THR 50 HB THR 50 -3.794 -6.352 7.494 377 HG1 THR 50 HG1 THR 50 -5.755 -5.006 7.604 378 HG21 THR 50 HG21 THR 50 -2.022 -5.736 9.085 379 HG22 THR 50 HG22 THR 50 -3.419 -6.434 9.903 380 HG23 THR 50 HG23 THR 50 -3.159 -4.690 9.934 381 H GLN 51 H GLN 51 -0.975 -3.614 7.748 382 HA GLN 51 HA GLN 51 0.157 -5.251 5.565 383 HB2 GLN 51 HB2 GLN 51 1.268 -2.732 6.839 384 HB3 GLN 51 HB3 GLN 51 2.109 -3.709 5.646 385 HG2 GLN 51 HG2 GLN 51 -0.538 -2.408 5.102 386 HG3 GLN 51 HG3 GLN 51 1.009 -1.612 4.814 387 HE21 GLN 51 HE21 GLN 51 -1.150 -4.124 3.810 388 HE22 GLN 51 HE22 GLN 51 -0.377 -4.476 2.304 389 H HIS 52 H HIS 52 1.091 -7.024 6.340 390 HA HIS 52 HA HIS 52 2.182 -6.953 9.063 391 HB2 HIS 52 HB2 HIS 52 1.258 -9.219 7.306 392 HB3 HIS 52 HB3 HIS 52 2.183 -9.490 8.775 393 HD2 HIS 52 HD2 HIS 52 -1.403 -8.794 7.629 394 HE1 HIS 52 HE1 HIS 52 -1.344 -8.812 11.860 395 HE2 HIS 52 HE2 HIS 52 -2.806 -9.038 9.797 396 H PHE 53 H PHE 53 4.237 -6.995 9.420 397 HA PHE 53 HA PHE 53 6.009 -7.595 7.153 398 HB2 PHE 53 HB2 PHE 53 6.036 -5.312 8.404 399 HB3 PHE 53 HB3 PHE 53 6.875 -6.201 9.675 400 HD1 PHE 53 HD1 PHE 53 7.125 -6.526 5.998 401 HD2 PHE 53 HD2 PHE 53 9.027 -5.405 9.625 402 HE1 PHE 53 HE1 PHE 53 9.266 -6.247 4.796 403 HE2 PHE 53 HE2 PHE 53 11.163 -5.122 8.442 404 HZ PHE 53 HZ PHE 53 11.285 -5.546 6.023 405 HA PRO 54 HA PRO 54 6.914 -11.394 9.283 406 HB2 PRO 54 HB2 PRO 54 9.208 -11.995 7.884 407 HB3 PRO 54 HB3 PRO 54 7.571 -12.289 7.256 408 HG2 PRO 54 HG2 PRO 54 9.429 -10.032 6.690 409 HG3 PRO 54 HG3 PRO 54 8.382 -10.941 5.582 410 HD2 PRO 54 HD2 PRO 54 7.690 -8.519 6.482 411 HD3 PRO 54 HD3 PRO 54 6.482 -9.793 6.216 412 H GLY 55 H GLY 55 7.603 -11.153 11.312 413 HA2 GLY 55 HA2 GLY 55 9.037 -10.903 13.078 414 HA3 GLY 55 HA3 GLY 55 10.357 -11.003 11.924 415 H GLY 56 H GLY 56 7.861 -8.538 11.708 416 HA2 GLY 56 HA2 GLY 56 9.666 -6.587 12.948 417 HA3 GLY 56 HA3 GLY 56 9.268 -6.361 11.258 418 H ARG 57 H ARG 57 8.575 -4.306 12.144 419 HA ARG 57 HA ARG 57 6.362 -3.950 13.819 420 HB2 ARG 57 HB2 ARG 57 6.373 -1.675 13.160 421 HB3 ARG 57 HB3 ARG 57 8.047 -2.185 13.138 422 HG2 ARG 57 HG2 ARG 57 8.039 -1.091 11.180 423 HG3 ARG 57 HG3 ARG 57 7.432 -2.630 10.576 424 HD2 ARG 57 HD2 ARG 57 5.323 -0.870 11.577 425 HD3 ARG 57 HD3 ARG 57 6.213 -0.167 10.220 426 HE ARG 57 HE ARG 57 4.235 -2.102 10.058 427 HH11 ARG 57 HH11 ARG 57 7.472 -1.533 8.794 428 HH12 ARG 57 HH12 ARG 57 7.224 -2.610 7.371 429 HH21 ARG 57 HH21 ARG 57 3.872 -3.454 8.290 430 HH22 ARG 57 HH22 ARG 57 5.194 -3.705 7.093 431 H THR 58 H THR 58 4.213 -3.333 13.328 432 HA THR 58 HA THR 58 3.320 -4.285 10.691 433 HB THR 58 HB THR 58 2.747 -5.744 12.684 434 HG1 THR 58 HG1 THR 58 1.318 -6.380 11.266 435 HG21 THR 58 HG21 THR 58 0.519 -3.829 13.215 436 HG22 THR 58 HG22 THR 58 2.062 -3.661 14.056 437 HG23 THR 58 HG23 THR 58 1.125 -5.148 14.217 438 H THR 59 H THR 59 1.320 -3.292 9.916 439 HA THR 59 HA THR 59 0.757 -0.657 11.059 440 HB THR 59 HB THR 59 1.178 -0.955 8.084 441 HG1 THR 59 HG1 THR 59 3.133 0.418 9.434 442 HG21 THR 59 HG21 THR 59 -0.082 0.977 8.579 443 HG22 THR 59 HG22 THR 59 1.572 1.554 8.364 444 HG23 THR 59 HG23 THR 59 0.909 1.356 9.987 445 H THR 60 H THR 60 -1.390 -0.275 11.108 446 HA THR 60 HA THR 60 -3.097 -1.751 9.221 447 HB THR 60 HB THR 60 -3.938 -1.363 12.078 448 HG1 THR 60 HG1 THR 60 -2.130 -2.599 12.329 449 HG21 THR 60 HG21 THR 60 -4.710 -3.387 9.970 450 HG22 THR 60 HG22 THR 60 -5.639 -1.952 10.401 451 HG23 THR 60 HG23 THR 60 -5.412 -3.243 11.583 452 H ASN 61 H ASN 61 -4.292 -0.355 8.089 453 HA ASN 61 HA ASN 61 -5.208 2.097 9.445 454 HB2 ASN 61 HB2 ASN 61 -4.324 1.759 6.578 455 HB3 ASN 61 HB3 ASN 61 -5.184 3.176 7.162 456 HD21 ASN 61 HD21 ASN 61 -3.683 2.938 9.784 457 HD22 ASN 61 HD22 ASN 61 -2.129 3.601 9.436 458 H SER 62 H SER 62 -7.249 2.803 9.037 459 HA SER 62 HA SER 62 -8.975 0.998 7.491 460 HB2 SER 62 HB2 SER 62 -10.733 1.534 9.233 461 HB3 SER 62 HB3 SER 62 -9.390 0.538 9.799 462 HG SER 62 HG SER 62 -9.537 3.356 10.119 463 H PHE 63 H PHE 63 -9.978 2.044 5.889 464 HA PHE 63 HA PHE 63 -10.451 4.921 6.240 465 HB2 PHE 63 HB2 PHE 63 -9.845 5.317 3.892 466 HB3 PHE 63 HB3 PHE 63 -8.489 4.683 4.816 467 HD1 PHE 63 HD1 PHE 63 -10.955 3.965 2.212 468 HD2 PHE 63 HD2 PHE 63 -7.594 2.493 4.365 469 HE1 PHE 63 HE1 PHE 63 -10.689 2.166 0.561 470 HE2 PHE 63 HE2 PHE 63 -7.322 0.695 2.715 471 HZ PHE 63 HZ PHE 63 -8.874 0.531 0.808 472 H THR 64 H THR 64 -12.287 5.727 5.399 473 HA THR 64 HA THR 64 -14.179 3.779 4.285 474 HB THR 64 HB THR 64 -14.690 6.367 5.774 475 HG1 THR 64 HG1 THR 64 -14.230 3.938 6.665 476 HG21 THR 64 HG21 THR 64 -17.104 5.534 5.699 477 HG22 THR 64 HG22 THR 64 -16.579 4.484 4.383 478 HG23 THR 64 HG23 THR 64 -16.451 6.238 4.219 479 H ILE 65 H ILE 65 -14.762 4.034 2.216 480 HA ILE 65 HA ILE 65 -13.633 5.894 0.499 481 HB ILE 65 HB ILE 65 -16.312 4.555 0.127 482 HG12 ILE 65 HG12 ILE 65 -14.555 2.937 0.717 483 HG13 ILE 65 HG13 ILE 65 -15.073 2.745 -0.955 484 HG21 ILE 65 HG21 ILE 65 -15.626 6.439 -1.427 485 HG22 ILE 65 HG22 ILE 65 -16.024 4.896 -2.184 486 HG23 ILE 65 HG23 ILE 65 -14.335 5.374 -1.984 487 HD11 ILE 65 HD11 ILE 65 -12.579 4.162 -0.049 488 HD12 ILE 65 HD12 ILE 65 -13.091 3.918 -1.718 489 HD13 ILE 65 HD13 ILE 65 -12.659 2.531 -0.716 490 H ASP 66 H ASP 66 -13.938 7.940 0.115 491 HA ASP 66 HA ASP 66 -14.847 9.994 -0.130 492 HB2 ASP 66 HB2 ASP 66 -16.949 8.587 -0.790 493 HB3 ASP 66 HB3 ASP 66 -17.551 9.086 0.788 494 H LYS 67 H LYS 67 -13.890 8.730 2.388 495 HA LYS 67 HA LYS 67 -14.804 10.828 4.226 496 HB2 LYS 67 HB2 LYS 67 -15.998 8.961 4.993 497 HB3 LYS 67 HB3 LYS 67 -14.654 7.875 4.695 498 HG2 LYS 67 HG2 LYS 67 -14.793 8.100 7.008 499 HG3 LYS 67 HG3 LYS 67 -13.423 9.089 6.526 500 HD2 LYS 67 HD2 LYS 67 -14.962 11.067 6.568 501 HD3 LYS 67 HD3 LYS 67 -16.189 10.011 7.271 502 HE2 LYS 67 HE2 LYS 67 -14.533 9.473 9.091 503 HE3 LYS 67 HE3 LYS 67 -13.512 10.750 8.431 504 HZ1 LYS 67 HZ1 LYS 67 -14.834 11.573 10.252 505 HZ2 LYS 67 HZ2 LYS 67 -16.261 11.093 9.492 506 HZ3 LYS 67 HZ3 LYS 67 -15.320 12.325 8.818 507 H GLU 68 H GLU 68 -13.203 11.660 5.561 508 HA GLU 68 HA GLU 68 -10.484 11.239 4.784 509 HB2 GLU 68 HB2 GLU 68 -11.456 13.416 5.625 510 HB3 GLU 68 HB3 GLU 68 -11.507 12.699 7.225 511 HG2 GLU 68 HG2 GLU 68 -9.136 12.511 7.308 512 HG3 GLU 68 HG3 GLU 68 -8.993 12.977 5.614 513 H ALA 69 H ALA 69 -9.092 9.783 5.584 514 HA ALA 69 HA ALA 69 -9.879 8.355 8.041 515 HB1 ALA 69 HB1 ALA 69 -8.396 7.216 5.678 516 HB2 ALA 69 HB2 ALA 69 -10.110 6.978 6.015 517 HB3 ALA 69 HB3 ALA 69 -8.896 6.342 7.126 518 H ASP 70 H ASP 70 -8.120 7.308 9.177 519 HA ASP 70 HA ASP 70 -5.764 9.036 9.335 520 HB2 ASP 70 HB2 ASP 70 -7.384 7.811 11.277 521 HB3 ASP 70 HB3 ASP 70 -5.875 6.906 11.298 522 H MET 71 H MET 71 -3.905 8.355 8.432 523 HA MET 71 HA MET 71 -3.590 5.459 8.006 524 HB2 MET 71 HB2 MET 71 -2.651 7.613 6.131 525 HB3 MET 71 HB3 MET 71 -2.581 5.874 5.876 526 HG2 MET 71 HG2 MET 71 -4.785 5.706 5.403 527 HG3 MET 71 HG3 MET 71 -5.217 7.085 6.406 528 HE1 MET 71 HE1 MET 71 -6.741 8.590 4.602 529 HE2 MET 71 HE2 MET 71 -6.746 6.854 4.292 530 HE3 MET 71 HE3 MET 71 -6.542 7.992 2.953 531 H GLU 72 H GLU 72 -1.367 4.829 7.523 532 HA GLU 72 HA GLU 72 0.779 6.508 8.456 533 HB2 GLU 72 HB2 GLU 72 0.179 5.736 10.612 534 HB3 GLU 72 HB3 GLU 72 -0.180 4.118 10.029 535 HG2 GLU 72 HG2 GLU 72 2.197 3.737 9.625 536 HG3 GLU 72 HG3 GLU 72 2.563 5.356 10.208 537 H THR 73 H THR 73 2.718 5.812 7.586 538 HA THR 73 HA THR 73 2.492 3.689 5.620 539 HB THR 73 HB THR 73 4.577 4.416 4.743 540 HG1 THR 73 HG1 THR 73 6.034 5.545 5.870 541 HG21 THR 73 HG21 THR 73 3.443 7.040 5.612 542 HG22 THR 73 HG22 THR 73 2.496 5.981 4.570 543 HG23 THR 73 HG23 THR 73 4.072 6.564 4.039 544 H MET 74 H MET 74 4.838 2.498 5.488 545 HA MET 74 HA MET 74 4.918 0.934 7.911 546 HB2 MET 74 HB2 MET 74 6.550 0.648 5.379 547 HB3 MET 74 HB3 MET 74 6.398 -0.545 6.659 548 HG2 MET 74 HG2 MET 74 4.263 -1.126 6.043 549 HG3 MET 74 HG3 MET 74 3.964 0.408 5.232 550 HE1 MET 74 HE1 MET 74 4.048 -3.144 4.428 551 HE2 MET 74 HE2 MET 74 5.668 -3.046 5.119 552 HE3 MET 74 HE3 MET 74 5.459 -3.435 3.412 553 H GLY 75 H GLY 75 6.267 3.753 6.872 554 HA2 GLY 75 HA2 GLY 75 8.887 3.346 8.092 555 HA3 GLY 75 HA3 GLY 75 8.342 4.779 7.224 556 H GLY 76 H GLY 76 5.803 4.154 9.062 557 HA2 GLY 76 HA2 GLY 76 5.193 4.621 11.282 558 HA3 GLY 76 HA3 GLY 76 6.820 5.212 11.583 559 H ARG 77 H ARG 77 4.946 6.267 8.830 560 HA ARG 77 HA ARG 77 5.005 8.987 9.890 561 HB2 ARG 77 HB2 ARG 77 4.102 8.086 7.161 562 HB3 ARG 77 HB3 ARG 77 4.529 9.717 7.653 563 HG2 ARG 77 HG2 ARG 77 6.782 9.196 7.714 564 HG3 ARG 77 HG3 ARG 77 6.483 7.465 7.743 565 HD2 ARG 77 HD2 ARG 77 7.115 7.836 5.575 566 HD3 ARG 77 HD3 ARG 77 5.367 7.838 5.473 567 HE ARG 77 HE ARG 77 6.003 10.457 5.789 568 HH11 ARG 77 HH11 ARG 77 7.238 7.949 3.689 569 HH12 ARG 77 HH12 ARG 77 7.264 9.001 2.222 570 HH21 ARG 77 HH21 ARG 77 6.161 11.903 4.001 571 HH22 ARG 77 HH22 ARG 77 6.737 11.253 2.421 572 H LYS 78 H LYS 78 3.282 9.879 10.802 573 HA LYS 78 HA LYS 78 0.682 8.575 10.473 574 HB2 LYS 78 HB2 LYS 78 1.334 10.751 12.449 575 HB3 LYS 78 HB3 LYS 78 0.003 9.606 12.496 576 HG2 LYS 78 HG2 LYS 78 2.918 8.921 12.862 577 HG3 LYS 78 HG3 LYS 78 1.725 9.092 14.152 578 HD2 LYS 78 HD2 LYS 78 1.657 7.047 11.930 579 HD3 LYS 78 HD3 LYS 78 2.079 6.742 13.617 580 HE2 LYS 78 HE2 LYS 78 -0.261 7.744 14.115 581 HE3 LYS 78 HE3 LYS 78 -0.579 7.401 12.415 582 HZ1 LYS 78 HZ1 LYS 78 0.212 5.063 12.954 583 HZ2 LYS 78 HZ2 LYS 78 -1.297 5.523 13.571 584 HZ3 LYS 78 HZ3 LYS 78 0.058 5.496 14.584 585 H PHE 79 H PHE 79 -0.826 9.441 9.230 586 HA PHE 79 HA PHE 79 -1.069 12.312 8.949 587 HB2 PHE 79 HB2 PHE 79 -0.942 12.228 6.459 588 HB3 PHE 79 HB3 PHE 79 0.593 11.893 7.251 589 HD1 PHE 79 HD1 PHE 79 1.498 9.649 7.310 590 HD2 PHE 79 HD2 PHE 79 -2.048 10.541 5.145 591 HE1 PHE 79 HE1 PHE 79 1.713 7.532 6.107 592 HE2 PHE 79 HE2 PHE 79 -1.846 8.416 3.927 593 HZ PHE 79 HZ PHE 79 0.047 6.903 4.410 594 H LYS 80 H LYS 80 -2.887 12.804 7.315 595 HA LYS 80 HA LYS 80 -4.955 10.719 7.426 596 HB2 LYS 80 HB2 LYS 80 -5.288 13.638 8.140 597 HB3 LYS 80 HB3 LYS 80 -6.630 12.550 7.839 598 HG2 LYS 80 HG2 LYS 80 -6.558 12.410 10.101 599 HG3 LYS 80 HG3 LYS 80 -5.413 11.129 9.715 600 HD2 LYS 80 HD2 LYS 80 -3.578 12.414 10.301 601 HD3 LYS 80 HD3 LYS 80 -4.451 13.937 10.091 602 HE2 LYS 80 HE2 LYS 80 -4.339 13.784 12.388 603 HE3 LYS 80 HE3 LYS 80 -5.905 13.042 12.069 604 HZ1 LYS 80 HZ1 LYS 80 -4.459 11.812 13.651 605 HZ2 LYS 80 HZ2 LYS 80 -3.397 11.495 12.372 606 HZ3 LYS 80 HZ3 LYS 80 -4.982 10.895 12.326 607 H ALA 81 H ALA 81 -6.336 10.658 5.660 608 HA ALA 81 HA ALA 81 -6.159 12.695 3.608 609 HB1 ALA 81 HB1 ALA 81 -5.490 11.000 1.856 610 HB2 ALA 81 HB2 ALA 81 -5.024 9.937 3.186 611 HB3 ALA 81 HB3 ALA 81 -4.217 11.491 2.974 612 H THR 82 H THR 82 -7.642 12.223 1.789 613 HA THR 82 HA THR 82 -9.956 10.684 2.751 614 HB THR 82 HB THR 82 -10.112 12.578 0.433 615 HG1 THR 82 HG1 THR 82 -9.326 13.259 2.946 616 HG21 THR 82 HG21 THR 82 -12.083 11.258 1.040 617 HG22 THR 82 HG22 THR 82 -12.360 12.973 1.347 618 HG23 THR 82 HG23 THR 82 -12.007 11.882 2.688 619 H VAL 83 H VAL 83 -10.599 8.899 1.672 620 HA VAL 83 HA VAL 83 -9.224 8.282 -0.861 621 HB VAL 83 HB VAL 83 -10.383 6.341 1.146 622 HG11 VAL 83 HG11 VAL 83 -10.410 5.377 -1.027 623 HG12 VAL 83 HG12 VAL 83 -9.041 4.683 -0.152 624 HG13 VAL 83 HG13 VAL 83 -8.771 5.942 -1.358 625 HG21 VAL 83 HG21 VAL 83 -8.083 5.811 1.742 626 HG22 VAL 83 HG22 VAL 83 -8.436 7.511 2.061 627 HG23 VAL 83 HG23 VAL 83 -7.498 7.054 0.637 628 H LYS 84 H LYS 84 -10.433 7.464 -2.576 629 HA LYS 84 HA LYS 84 -13.342 7.312 -2.204 630 HB2 LYS 84 HB2 LYS 84 -13.717 8.583 -4.245 631 HB3 LYS 84 HB3 LYS 84 -12.780 9.541 -3.106 632 HG2 LYS 84 HG2 LYS 84 -10.728 8.824 -4.355 633 HG3 LYS 84 HG3 LYS 84 -11.802 8.128 -5.570 634 HD2 LYS 84 HD2 LYS 84 -12.782 10.301 -5.997 635 HD3 LYS 84 HD3 LYS 84 -11.800 11.018 -4.717 636 HE2 LYS 84 HE2 LYS 84 -10.021 11.207 -6.055 637 HE3 LYS 84 HE3 LYS 84 -10.192 9.550 -6.631 638 HZ1 LYS 84 HZ1 LYS 84 -11.617 11.944 -7.662 639 HZ2 LYS 84 HZ2 LYS 84 -11.948 10.357 -8.163 640 HZ3 LYS 84 HZ3 LYS 84 -10.427 11.049 -8.462 641 H MET 85 H MET 85 -14.249 6.531 -4.534 642 HA MET 85 HA MET 85 -12.514 4.346 -5.447 643 HB2 MET 85 HB2 MET 85 -14.966 4.121 -3.993 644 HB3 MET 85 HB3 MET 85 -15.206 3.499 -5.618 645 HG2 MET 85 HG2 MET 85 -13.316 1.994 -5.325 646 HG3 MET 85 HG3 MET 85 -13.068 2.625 -3.695 647 HE1 MET 85 HE1 MET 85 -13.448 0.680 -2.090 648 HE2 MET 85 HE2 MET 85 -13.103 -0.207 -3.580 649 HE3 MET 85 HE3 MET 85 -14.442 -0.706 -2.544 650 H GLU 86 H GLU 86 -12.368 4.169 -7.594 651 HA GLU 86 HA GLU 86 -14.373 5.591 -9.226 652 HB2 GLU 86 HB2 GLU 86 -11.423 5.269 -9.808 653 HB3 GLU 86 HB3 GLU 86 -12.586 6.090 -10.839 654 HG2 GLU 86 HG2 GLU 86 -11.928 6.937 -8.034 655 HG3 GLU 86 HG3 GLU 86 -11.143 7.584 -9.471 656 H GLY 87 H GLY 87 -15.621 3.805 -9.686 657 HA2 GLY 87 HA2 GLY 87 -16.271 1.965 -10.886 658 HA3 GLY 87 HA3 GLY 87 -14.843 2.221 -11.874 659 H GLY 88 H GLY 88 -15.286 1.302 -8.455 660 HA2 GLY 88 HA2 GLY 88 -14.724 -0.663 -7.372 661 HA3 GLY 88 HA3 GLY 88 -14.366 -1.378 -8.935 662 H LYS 89 H LYS 89 -12.780 1.582 -8.283 663 HA LYS 89 HA LYS 89 -10.326 0.129 -7.513 664 HB2 LYS 89 HB2 LYS 89 -10.368 2.650 -9.165 665 HB3 LYS 89 HB3 LYS 89 -9.009 1.573 -8.869 666 HG2 LYS 89 HG2 LYS 89 -10.005 -0.122 -10.260 667 HG3 LYS 89 HG3 LYS 89 -11.467 0.850 -10.442 668 HD2 LYS 89 HD2 LYS 89 -10.121 2.608 -11.540 669 HD3 LYS 89 HD3 LYS 89 -8.708 1.557 -11.422 670 HE2 LYS 89 HE2 LYS 89 -11.255 0.868 -12.885 671 HE3 LYS 89 HE3 LYS 89 -9.801 1.501 -13.649 672 HZ1 LYS 89 HZ1 LYS 89 -8.643 -0.492 -12.601 673 HZ2 LYS 89 HZ2 LYS 89 -9.656 -0.788 -13.923 674 HZ3 LYS 89 HZ3 LYS 89 -10.204 -1.126 -12.365 675 H ILE 90 H ILE 90 -9.646 0.706 -5.556 676 HA ILE 90 HA ILE 90 -10.696 3.064 -4.273 677 HB ILE 90 HB ILE 90 -8.458 1.391 -3.158 678 HG12 ILE 90 HG12 ILE 90 -11.380 0.723 -3.394 679 HG13 ILE 90 HG13 ILE 90 -9.986 -0.322 -3.637 680 HG21 ILE 90 HG21 ILE 90 -10.715 2.903 -1.861 681 HG22 ILE 90 HG22 ILE 90 -9.067 3.494 -2.051 682 HG23 ILE 90 HG23 ILE 90 -9.387 2.087 -1.036 683 HD11 ILE 90 HD11 ILE 90 -11.082 -1.000 -1.635 684 HD12 ILE 90 HD12 ILE 90 -11.113 0.654 -1.019 685 HD13 ILE 90 HD13 ILE 90 -9.578 -0.203 -1.176 686 H VAL 91 H VAL 91 -9.914 4.966 -4.857 687 HA VAL 91 HA VAL 91 -7.026 5.211 -5.310 688 HB VAL 91 HB VAL 91 -8.143 5.709 -7.337 689 HG11 VAL 91 HG11 VAL 91 -10.380 5.980 -6.667 690 HG12 VAL 91 HG12 VAL 91 -9.905 7.496 -7.434 691 HG13 VAL 91 HG13 VAL 91 -9.989 7.381 -5.676 692 HG21 VAL 91 HG21 VAL 91 -7.333 8.206 -5.877 693 HG22 VAL 91 HG22 VAL 91 -7.777 8.212 -7.581 694 HG23 VAL 91 HG23 VAL 91 -6.394 7.263 -7.036 695 H ALA 92 H ALA 92 -5.885 6.643 -4.170 696 HA ALA 92 HA ALA 92 -7.348 8.331 -2.244 697 HB1 ALA 92 HB1 ALA 92 -6.156 6.458 -1.172 698 HB2 ALA 92 HB2 ALA 92 -5.515 8.029 -0.679 699 HB3 ALA 92 HB3 ALA 92 -4.644 7.049 -1.859 700 H ASP 93 H ASP 93 -6.570 10.447 -1.914 701 HA ASP 93 HA ASP 93 -4.836 11.396 -4.082 702 HB2 ASP 93 HB2 ASP 93 -7.011 12.413 -4.076 703 HB3 ASP 93 HB3 ASP 93 -6.844 12.874 -2.386 704 H PHE 94 H PHE 94 -2.881 12.045 -3.679 705 HA PHE 94 HA PHE 94 -2.173 13.191 -1.076 706 HB2 PHE 94 HB2 PHE 94 -0.771 10.871 -2.414 707 HB3 PHE 94 HB3 PHE 94 -0.037 11.830 -1.136 708 HD1 PHE 94 HD1 PHE 94 -1.000 11.796 1.137 709 HD2 PHE 94 HD2 PHE 94 -2.381 9.209 -1.948 710 HE1 PHE 94 HE1 PHE 94 -2.074 10.365 2.828 711 HE2 PHE 94 HE2 PHE 94 -3.467 7.780 -0.249 712 HZ PHE 94 HZ PHE 94 -3.308 8.357 2.127 713 HA PRO 95 HA PRO 95 0.140 15.990 -3.607 714 HB2 PRO 95 HB2 PRO 95 2.095 16.772 -1.890 715 HB3 PRO 95 HB3 PRO 95 0.405 17.276 -1.704 716 HG2 PRO 95 HG2 PRO 95 1.920 15.168 -0.258 717 HG3 PRO 95 HG3 PRO 95 0.715 16.317 0.355 718 HD2 PRO 95 HD2 PRO 95 0.159 13.708 -0.210 719 HD3 PRO 95 HD3 PRO 95 -1.045 15.008 -0.263 720 H ASN 96 H ASN 96 1.287 15.240 -5.273 721 HA ASN 96 HA ASN 96 3.015 14.453 -6.533 722 HB2 ASN 96 HB2 ASN 96 4.450 15.828 -5.045 723 HB3 ASN 96 HB3 ASN 96 4.602 14.462 -3.950 724 HD21 ASN 96 HD21 ASN 96 6.775 14.193 -4.114 725 HD22 ASN 96 HD22 ASN 96 7.577 13.703 -5.565 726 H TYR 97 H TYR 97 1.295 12.756 -4.525 727 HA TYR 97 HA TYR 97 2.571 10.217 -5.254 728 HB2 TYR 97 HB2 TYR 97 2.992 10.927 -2.813 729 HB3 TYR 97 HB3 TYR 97 1.275 10.647 -2.558 730 HD1 TYR 97 HD1 TYR 97 0.541 8.215 -3.658 731 HD2 TYR 97 HD2 TYR 97 4.354 9.238 -2.077 732 HE1 TYR 97 HE1 TYR 97 0.990 5.840 -3.221 733 HE2 TYR 97 HE2 TYR 97 4.811 6.862 -1.635 734 HH TYR 97 HH TYR 97 2.756 4.335 -2.828 735 H HIS 98 H HIS 98 1.178 8.943 -6.270 736 HA HIS 98 HA HIS 98 -1.698 9.347 -5.785 737 HB2 HIS 98 HB2 HIS 98 -0.715 10.049 -8.098 738 HB3 HIS 98 HB3 HIS 98 -0.627 8.316 -8.402 739 HD1 HIS 98 HD1 HIS 98 -3.435 10.187 -6.672 740 HD2 HIS 98 HD2 HIS 98 -2.729 7.989 -10.125 741 HE1 HIS 98 HE1 HIS 98 -5.682 9.892 -7.754 742 HE2 HIS 98 HE2 HIS 98 -5.239 8.514 -9.816 743 H HIS 99 H HIS 99 -2.681 7.596 -4.973 744 HA HIS 99 HA HIS 99 -1.395 4.983 -5.414 745 HB2 HIS 99 HB2 HIS 99 -1.335 6.153 -3.040 746 HB3 HIS 99 HB3 HIS 99 -2.971 5.508 -2.934 747 HD2 HIS 99 HD2 HIS 99 -2.885 2.561 -3.666 748 HE1 HIS 99 HE1 HIS 99 0.768 2.250 -1.554 749 HE2 HIS 99 HE2 HIS 99 -1.263 0.979 -2.392 750 H THR 100 H THR 100 -2.635 3.669 -6.521 751 HA THR 100 HA THR 100 -5.545 3.760 -6.121 752 HB THR 100 HB THR 100 -5.729 3.006 -8.536 753 HG1 THR 100 HG1 THR 100 -3.654 2.442 -9.050 754 HG21 THR 100 HG21 THR 100 -5.487 5.282 -9.446 755 HG22 THR 100 HG22 THR 100 -4.598 5.751 -7.997 756 HG23 THR 100 HG23 THR 100 -6.294 5.280 -7.876 757 H ALA 101 H ALA 101 -6.411 1.874 -5.551 758 HA ALA 101 HA ALA 101 -4.831 -0.574 -5.961 759 HB1 ALA 101 HB1 ALA 101 -6.066 -1.492 -4.017 760 HB2 ALA 101 HB2 ALA 101 -6.850 0.074 -3.810 761 HB3 ALA 101 HB3 ALA 101 -5.105 -0.074 -3.606 762 H GLU 102 H GLU 102 -5.692 -2.160 -7.170 763 HA GLU 102 HA GLU 102 -8.554 -2.280 -7.565 764 HB2 GLU 102 HB2 GLU 102 -8.411 -2.129 -10.023 765 HB3 GLU 102 HB3 GLU 102 -7.957 -0.624 -9.231 766 HG2 GLU 102 HG2 GLU 102 -5.534 -1.546 -9.457 767 HG3 GLU 102 HG3 GLU 102 -6.246 -2.587 -10.688 768 H ILE 103 H ILE 103 -9.050 -4.044 -9.231 769 HA ILE 103 HA ILE 103 -7.292 -6.332 -8.665 770 HB ILE 103 HB ILE 103 -10.241 -6.377 -9.374 771 HG12 ILE 103 HG12 ILE 103 -9.743 -5.376 -7.116 772 HG13 ILE 103 HG13 ILE 103 -10.726 -6.835 -7.071 773 HG21 ILE 103 HG21 ILE 103 -9.218 -8.397 -10.073 774 HG22 ILE 103 HG22 ILE 103 -10.074 -8.744 -8.571 775 HG23 ILE 103 HG23 ILE 103 -8.320 -8.549 -8.562 776 HD11 ILE 103 HD11 ILE 103 -7.763 -6.735 -6.555 777 HD12 ILE 103 HD12 ILE 103 -8.813 -8.146 -6.399 778 HD13 ILE 103 HD13 ILE 103 -9.014 -6.770 -5.315 779 H SER 104 H SER 104 -6.224 -7.104 -10.349 780 HA SER 104 HA SER 104 -7.441 -6.962 -13.014 781 HB2 SER 104 HB2 SER 104 -4.661 -6.047 -12.262 782 HB3 SER 104 HB3 SER 104 -5.164 -6.354 -13.924 783 HG SER 104 HG SER 104 -6.915 -4.749 -12.582 784 H GLY 105 H GLY 105 -7.635 -8.976 -13.665 785 HA2 GLY 105 HA2 GLY 105 -7.037 -11.117 -14.272 786 HA3 GLY 105 HA3 GLY 105 -5.388 -10.753 -13.772 787 H GLY 106 H GLY 106 -8.107 -10.274 -11.654 788 HA2 GLY 106 HA2 GLY 106 -8.796 -11.367 -9.744 789 HA3 GLY 106 HA3 GLY 106 -7.940 -12.793 -10.312 790 H LYS 107 H LYS 107 -6.300 -9.766 -10.021 791 HA LYS 107 HA LYS 107 -5.067 -10.602 -7.496 792 HB2 LYS 107 HB2 LYS 107 -3.779 -10.259 -10.125 793 HB3 LYS 107 HB3 LYS 107 -2.952 -9.486 -8.779 794 HG2 LYS 107 HG2 LYS 107 -2.480 -11.476 -7.740 795 HG3 LYS 107 HG3 LYS 107 -3.828 -12.318 -8.517 796 HD2 LYS 107 HD2 LYS 107 -2.665 -12.379 -10.611 797 HD3 LYS 107 HD3 LYS 107 -1.378 -11.348 -9.980 798 HE2 LYS 107 HE2 LYS 107 -0.669 -13.667 -10.046 799 HE3 LYS 107 HE3 LYS 107 -0.765 -13.091 -8.381 800 HZ1 LYS 107 HZ1 LYS 107 -2.920 -14.193 -8.182 801 HZ2 LYS 107 HZ2 LYS 107 -1.704 -15.292 -8.591 802 HZ3 LYS 107 HZ3 LYS 107 -2.791 -14.764 -9.771 803 H LEU 108 H LEU 108 -4.094 -8.927 -6.300 804 HA LEU 108 HA LEU 108 -5.362 -6.326 -6.716 805 HB2 LEU 108 HB2 LEU 108 -5.237 -7.672 -4.488 806 HB3 LEU 108 HB3 LEU 108 -3.586 -7.101 -4.409 807 HG LEU 108 HG LEU 108 -5.129 -5.776 -3.033 808 HD11 LEU 108 HD11 LEU 108 -4.441 -3.560 -3.802 809 HD12 LEU 108 HD12 LEU 108 -3.905 -4.272 -5.324 810 HD13 LEU 108 HD13 LEU 108 -3.116 -4.724 -3.813 811 HD21 LEU 108 HD21 LEU 108 -7.119 -5.991 -4.445 812 HD22 LEU 108 HD22 LEU 108 -6.368 -4.936 -5.645 813 HD23 LEU 108 HD23 LEU 108 -6.758 -4.314 -4.041 814 H VAL 109 H VAL 109 -4.283 -4.825 -7.800 815 HA VAL 109 HA VAL 109 -1.352 -4.799 -7.562 816 HB VAL 109 HB VAL 109 -1.826 -5.486 -9.786 817 HG11 VAL 109 HG11 VAL 109 -3.670 -3.121 -10.050 818 HG12 VAL 109 HG12 VAL 109 -4.164 -4.807 -9.910 819 HG13 VAL 109 HG13 VAL 109 -3.261 -4.269 -11.328 820 HG21 VAL 109 HG21 VAL 109 -0.044 -3.817 -9.522 821 HG22 VAL 109 HG22 VAL 109 -1.208 -2.535 -9.865 822 HG23 VAL 109 HG23 VAL 109 -0.815 -3.728 -11.104 823 H GLU 110 H GLU 110 -0.695 -3.129 -6.445 824 HA GLU 110 HA GLU 110 -2.334 -0.696 -6.409 825 HB2 GLU 110 HB2 GLU 110 -0.160 -1.661 -4.545 826 HB3 GLU 110 HB3 GLU 110 -0.913 -0.078 -4.433 827 HG2 GLU 110 HG2 GLU 110 -3.089 -1.144 -4.061 828 HG3 GLU 110 HG3 GLU 110 -2.313 -2.724 -4.140 829 H ILE 111 H ILE 111 -1.693 1.026 -7.439 830 HA ILE 111 HA ILE 111 1.083 1.132 -8.406 831 HB ILE 111 HB ILE 111 -1.375 2.475 -9.560 832 HG12 ILE 111 HG12 ILE 111 -0.439 0.922 -11.547 833 HG13 ILE 111 HG13 ILE 111 0.075 -0.050 -10.173 834 HG21 ILE 111 HG21 ILE 111 0.496 3.902 -9.932 835 HG22 ILE 111 HG22 ILE 111 0.191 3.047 -11.443 836 HG23 ILE 111 HG23 ILE 111 1.518 2.544 -10.397 837 HD11 ILE 111 HD11 ILE 111 -2.747 0.850 -10.707 838 HD12 ILE 111 HD12 ILE 111 -2.203 -0.189 -9.390 839 HD13 ILE 111 HD13 ILE 111 -2.088 -0.749 -11.057 840 H SER 112 H SER 112 2.339 2.693 -7.668 841 HA SER 112 HA SER 112 1.109 5.016 -6.334 842 HB2 SER 112 HB2 SER 112 3.692 3.687 -5.497 843 HB3 SER 112 HB3 SER 112 2.805 4.945 -4.641 844 HG SER 112 HG SER 112 1.057 3.128 -4.819 845 H THR 113 H THR 113 1.553 6.776 -7.491 846 HA THR 113 HA THR 113 4.062 6.863 -9.010 847 HB THR 113 HB THR 113 2.105 9.052 -9.321 848 HG1 THR 113 HG1 THR 113 1.451 6.373 -9.693 849 HG21 THR 113 HG21 THR 113 3.961 7.430 -11.023 850 HG22 THR 113 HG22 THR 113 3.883 9.178 -10.801 851 HG23 THR 113 HG23 THR 113 2.664 8.365 -11.779 852 H SER 114 H SER 114 5.674 8.175 -8.440 853 HA SER 114 HA SER 114 5.131 10.531 -6.815 854 HB2 SER 114 HB2 SER 114 7.099 8.393 -5.962 855 HB3 SER 114 HB3 SER 114 6.850 9.943 -5.161 856 HG SER 114 HG SER 114 4.484 8.812 -5.380 857 H SER 115 H SER 115 6.009 12.100 -7.908 858 HA SER 115 HA SER 115 7.394 13.345 -9.174 859 HB2 SER 115 HB2 SER 115 9.468 11.618 -7.824 860 HB3 SER 115 HB3 SER 115 9.814 13.114 -8.686 861 HG SER 115 HG SER 115 8.570 14.230 -7.182 862 H GLY 116 H GLY 116 6.274 11.135 -10.564 863 HA2 GLY 116 HA2 GLY 116 6.556 10.649 -12.863 864 HA3 GLY 116 HA3 GLY 116 8.277 10.935 -12.686 865 H VAL 117 H VAL 117 8.194 9.120 -10.215 866 HA VAL 117 HA VAL 117 8.673 6.703 -11.740 867 HB VAL 117 HB VAL 117 9.043 7.248 -8.790 868 HG11 VAL 117 HG11 VAL 117 8.695 4.922 -8.961 869 HG12 VAL 117 HG12 VAL 117 10.447 5.134 -8.930 870 HG13 VAL 117 HG13 VAL 117 9.622 4.814 -10.456 871 HG21 VAL 117 HG21 VAL 117 10.591 8.515 -10.132 872 HG22 VAL 117 HG22 VAL 117 10.994 7.082 -11.083 873 HG23 VAL 117 HG23 VAL 117 11.448 7.169 -9.382 874 H VAL 118 H VAL 118 7.192 5.247 -12.097 875 HA VAL 118 HA VAL 118 4.812 5.153 -10.411 876 HB VAL 118 HB VAL 118 5.319 3.808 -13.072 877 HG11 VAL 118 HG11 VAL 118 3.672 2.670 -11.618 878 HG12 VAL 118 HG12 VAL 118 2.972 3.317 -13.107 879 HG13 VAL 118 HG13 VAL 118 2.733 4.161 -11.580 880 HG21 VAL 118 HG21 VAL 118 3.560 6.176 -12.524 881 HG22 VAL 118 HG22 VAL 118 4.052 5.521 -14.087 882 HG23 VAL 118 HG23 VAL 118 5.234 6.333 -13.061 883 H TYR 119 H TYR 119 5.067 3.893 -8.727 884 HA TYR 119 HA TYR 119 6.569 1.392 -8.925 885 HB2 TYR 119 HB2 TYR 119 7.030 2.667 -6.938 886 HB3 TYR 119 HB3 TYR 119 5.320 2.848 -6.582 887 HD1 TYR 119 HD1 TYR 119 7.687 0.004 -7.212 888 HD2 TYR 119 HD2 TYR 119 4.570 1.608 -4.802 889 HE1 TYR 119 HE1 TYR 119 7.776 -1.994 -5.778 890 HE2 TYR 119 HE2 TYR 119 4.654 -0.382 -3.361 891 HH TYR 119 HH TYR 119 7.149 -2.810 -3.705 892 H LYS 120 H LYS 120 5.620 -0.550 -9.112 893 HA LYS 120 HA LYS 120 2.731 -0.709 -8.621 894 HB2 LYS 120 HB2 LYS 120 4.290 -1.710 -10.997 895 HB3 LYS 120 HB3 LYS 120 2.664 -2.255 -10.613 896 HG2 LYS 120 HG2 LYS 120 1.707 -0.264 -11.154 897 HG3 LYS 120 HG3 LYS 120 3.156 0.661 -10.750 898 HD2 LYS 120 HD2 LYS 120 2.963 0.780 -13.098 899 HD3 LYS 120 HD3 LYS 120 4.216 -0.423 -12.791 900 HE2 LYS 120 HE2 LYS 120 2.126 -2.047 -12.847 901 HE3 LYS 120 HE3 LYS 120 1.470 -0.751 -13.847 902 HZ1 LYS 120 HZ1 LYS 120 2.674 -2.550 -15.076 903 HZ2 LYS 120 HZ2 LYS 120 4.107 -2.007 -14.353 904 HZ3 LYS 120 HZ3 LYS 120 3.238 -0.981 -15.380 905 H ARG 121 H ARG 121 2.194 -2.246 -7.289 906 HA ARG 121 HA ARG 121 3.959 -4.589 -7.085 907 HB2 ARG 121 HB2 ARG 121 3.632 -4.711 -4.699 908 HB3 ARG 121 HB3 ARG 121 4.263 -3.123 -5.114 909 HG2 ARG 121 HG2 ARG 121 2.095 -2.131 -4.803 910 HG3 ARG 121 HG3 ARG 121 1.359 -3.721 -4.558 911 HD2 ARG 121 HD2 ARG 121 2.725 -4.048 -2.564 912 HD3 ARG 121 HD3 ARG 121 3.477 -2.474 -2.806 913 HE ARG 121 HE ARG 121 0.793 -1.945 -2.664 914 HH11 ARG 121 HH11 ARG 121 3.115 -3.542 -0.562 915 HH12 ARG 121 HH12 ARG 121 2.258 -3.057 0.949 916 HH21 ARG 121 HH21 ARG 121 -0.333 -1.308 -0.796 917 HH22 ARG 121 HH22 ARG 121 0.324 -1.809 0.817 918 H THR 122 H THR 122 3.019 -6.469 -7.350 919 HA THR 122 HA THR 122 0.083 -6.562 -7.438 920 HB THR 122 HB THR 122 2.032 -8.537 -8.636 921 HG1 THR 122 HG1 THR 122 1.128 -6.069 -9.521 922 HG21 THR 122 HG21 THR 122 -0.898 -8.034 -9.150 923 HG22 THR 122 HG22 THR 122 -0.234 -9.386 -8.232 924 HG23 THR 122 HG23 THR 122 0.099 -9.240 -9.959 925 H SER 123 H SER 123 -0.999 -7.831 -6.046 926 HA SER 123 HA SER 123 0.557 -9.763 -4.456 927 HB2 SER 123 HB2 SER 123 -1.768 -8.197 -3.337 928 HB3 SER 123 HB3 SER 123 -0.514 -9.078 -2.465 929 HG SER 123 HG SER 123 -0.476 -6.536 -3.558 930 H LYS 124 H LYS 124 -0.368 -11.713 -4.162 931 HA LYS 124 HA LYS 124 -2.724 -12.351 -5.712 932 HB2 LYS 124 HB2 LYS 124 -2.236 -14.685 -4.996 933 HB3 LYS 124 HB3 LYS 124 -0.868 -13.903 -5.774 934 HG2 LYS 124 HG2 LYS 124 0.222 -13.551 -3.677 935 HG3 LYS 124 HG3 LYS 124 -1.207 -14.089 -2.794 936 HD2 LYS 124 HD2 LYS 124 -0.889 -16.319 -3.403 937 HD3 LYS 124 HD3 LYS 124 0.170 -15.897 -4.747 938 HE2 LYS 124 HE2 LYS 124 0.849 -15.529 -1.834 939 HE3 LYS 124 HE3 LYS 124 1.387 -16.882 -2.830 940 HZ1 LYS 124 HZ1 LYS 124 2.256 -14.090 -2.860 941 HZ2 LYS 124 HZ2 LYS 124 2.229 -14.908 -4.344 942 HZ3 LYS 124 HZ3 LYS 124 3.160 -15.503 -3.058 943 H LYS 125 H LYS 125 -4.539 -13.543 -4.767 944 HA LYS 125 HA LYS 125 -5.118 -12.565 -2.061 945 HB2 LYS 125 HB2 LYS 125 -6.599 -12.141 -4.252 946 HB3 LYS 125 HB3 LYS 125 -7.299 -13.673 -3.744 947 HG2 LYS 125 HG2 LYS 125 -6.994 -11.338 -1.876 948 HG3 LYS 125 HG3 LYS 125 -8.416 -11.557 -2.893 949 HD2 LYS 125 HD2 LYS 125 -7.565 -13.873 -1.253 950 HD3 LYS 125 HD3 LYS 125 -8.254 -12.491 -0.402 951 HE2 LYS 125 HE2 LYS 125 -9.508 -14.169 -2.555 952 HE3 LYS 125 HE3 LYS 125 -10.058 -13.938 -0.897 953 HZ1 LYS 125 HZ1 LYS 125 -10.450 -11.562 -1.474 954 HZ2 LYS 125 HZ2 LYS 125 -11.429 -12.640 -2.332 955 HZ3 LYS 125 HZ3 LYS 125 -10.097 -11.933 -3.090 956 H ILE 126 H ILE 126 -5.091 -13.951 -0.477 957 HA ILE 126 HA ILE 126 -5.823 -16.749 -1.002 958 HB ILE 126 HB ILE 126 -3.818 -16.395 1.122 959 HG12 ILE 126 HG12 ILE 126 -2.057 -16.510 -0.930 960 HG13 ILE 126 HG13 ILE 126 -3.268 -15.445 -1.636 961 HG21 ILE 126 HG21 ILE 126 -2.909 -18.427 0.170 962 HG22 ILE 126 HG22 ILE 126 -3.948 -18.261 -1.245 963 HG23 ILE 126 HG23 ILE 126 -4.659 -18.568 0.341 964 HD11 ILE 126 HD11 ILE 126 -3.063 -14.014 0.406 965 HD12 ILE 126 HD12 ILE 126 -1.623 -14.088 -0.606 966 HD13 ILE 126 HD13 ILE 126 -1.695 -15.017 0.890 967 H ALA 127 H ALA 127 -6.374 -17.887 1.090 968 HA ALA 127 HA ALA 127 -7.283 -16.071 3.194 969 HB1 ALA 127 HB1 ALA 127 -9.237 -16.289 1.840 970 HB2 ALA 127 HB2 ALA 127 -9.465 -17.300 3.270 971 HB3 ALA 127 HB3 ALA 127 -9.032 -18.038 1.727 972 H11 CHO 200 H11 CHO 200 6.682 -0.438 -1.534 973 H12 CHO 200 H12 CHO 200 7.282 -1.477 -0.209 974 H21 CHO 200 H21 CHO 200 5.330 -0.895 1.159 975 H22 CHO 200 H22 CHO 200 4.817 -1.574 -0.411 976 H3 CHO 200 H3 CHO 200 4.423 0.697 -1.282 977 HO3 CHO 200 HO3 CHO 200 2.708 -0.382 -0.119 978 H41 CHO 200 H41 CHO 200 5.197 1.582 1.537 979 H42 CHO 200 H42 CHO 200 4.592 2.640 0.238 980 H5 CHO 200 H5 CHO 200 6.544 2.031 -1.162 981 H61 CHO 200 H61 CHO 200 6.627 3.996 0.377 982 H62 CHO 200 H62 CHO 200 8.230 3.265 0.138 983 H7 CHO 200 H7 CHO 200 7.861 3.746 2.516 984 HO7 CHO 200 HO7 CHO 200 6.014 1.879 3.157 985 H8 CHO 200 H8 CHO 200 9.180 1.771 1.951 986 H9 CHO 200 H9 CHO 200 6.516 0.295 2.103 987 H111 CHO 200 H111 CHO 200 9.295 -0.797 1.584 988 H112 CHO 200 H112 CHO 200 7.754 -1.714 1.601 989 H121 CHO 200 H121 CHO 200 9.024 -1.968 3.726 990 H122 CHO 200 H122 CHO 200 7.438 -1.206 3.968 991 H14 CHO 200 H14 CHO 200 7.217 1.337 4.160 992 H151 CHO 200 H151 CHO 200 8.407 3.304 4.866 993 H152 CHO 200 H152 CHO 200 9.896 2.834 4.116 994 H161 CHO 200 H161 CHO 200 8.838 2.080 6.784 995 H162 CHO 200 H162 CHO 200 10.461 1.816 6.191 996 H17 CHO 200 H17 CHO 200 8.072 -0.060 6.059 997 H181 CHO 200 H181 CHO 200 10.820 1.374 3.702 998 H182 CHO 200 H182 CHO 200 10.582 0.011 2.581 999 H183 CHO 200 H183 CHO 200 11.219 -0.283 4.217 1000 H191 CHO 200 H191 CHO 200 9.083 1.848 -0.403 1001 H192 CHO 200 H192 CHO 200 8.807 0.426 -1.438 1002 H193 CHO 200 H193 CHO 200 9.524 0.225 0.178 1003 H20 CHO 200 H20 CHO 200 11.009 -0.535 6.051 1004 H211 CHO 200 H211 CHO 200 9.520 -2.766 6.936 1005 H212 CHO 200 H212 CHO 200 10.466 -2.615 5.436 1006 H213 CHO 200 H213 CHO 200 8.732 -2.211 5.440 1007 H221 CHO 200 H221 CHO 200 8.886 -0.680 8.226 1008 H222 CHO 200 H222 CHO 200 10.245 0.483 8.125 1009 H231 CHO 200 H231 CHO 200 11.844 -1.401 8.267 1010 H232 CHO 200 H232 CHO 200 10.460 -2.526 8.448 1011 HN CHO 200 HN CHO 200 11.280 -3.227 10.501 1012 H261 CHO 200 H261 CHO 200 11.238 -3.267 12.765 1013 H262 CHO 200 H262 CHO 200 10.159 -1.852 12.721 1014 H11 CHO 201 H11 CHO 201 -6.653 4.493 0.430 1015 H12 CHO 201 H12 CHO 201 -5.246 5.246 -0.371 1016 H21 CHO 201 H21 CHO 201 -4.338 3.030 -0.909 1017 H22 CHO 201 H22 CHO 201 -6.000 3.200 -1.548 1018 H3 CHO 201 H3 CHO 201 -6.888 1.947 0.369 1019 HO3 CHO 201 HO3 CHO 201 -6.054 0.806 -1.540 1020 H41 CHO 201 H41 CHO 201 -3.960 1.678 1.189 1021 H42 CHO 201 H42 CHO 201 -5.351 0.908 1.994 1022 H5 CHO 201 H5 CHO 201 -6.295 3.139 2.492 1023 H61 CHO 201 H61 CHO 201 -4.756 2.005 4.097 1024 H62 CHO 201 H62 CHO 201 -4.684 3.781 4.212 1025 H7 CHO 201 H7 CHO 201 -2.423 2.878 4.252 1026 HO7 CHO 201 HO7 CHO 201 -1.664 1.685 2.350 1027 H8 CHO 201 H8 CHO 201 -2.732 4.988 3.105 1028 H9 CHO 201 H9 CHO 201 -3.105 3.278 0.602 1029 H111 CHO 201 H111 CHO 201 -3.123 6.296 0.858 1030 H112 CHO 201 H112 CHO 201 -3.337 5.309 -0.630 1031 H121 CHO 201 H121 CHO 201 -1.044 6.275 -0.437 1032 H122 CHO 201 H122 CHO 201 -1.047 4.504 -0.482 1033 H14 CHO 201 H14 CHO 201 -0.908 3.115 1.657 1034 H151 CHO 201 H151 CHO 201 -0.099 3.239 3.981 1035 H152 CHO 201 H152 CHO 201 -0.391 4.922 4.128 1036 H161 CHO 201 H161 CHO 201 1.719 3.461 2.462 1037 H162 CHO 201 H162 CHO 201 1.925 4.965 3.331 1038 H17 CHO 201 H17 CHO 201 1.192 4.630 0.525 1039 H181 CHO 201 H181 CHO 201 -1.007 7.456 1.694 1040 H182 CHO 201 H182 CHO 201 -0.331 6.668 3.141 1041 H183 CHO 201 H183 CHO 201 -2.038 6.415 2.704 1042 H191 CHO 201 H191 CHO 201 -4.900 6.422 1.743 1043 H192 CHO 201 H192 CHO 201 -4.324 5.543 3.180 1044 H193 CHO 201 H193 CHO 201 -6.050 5.508 2.747 1045 H20 CHO 201 H20 CHO 201 1.362 7.098 2.213 1046 H211 CHO 201 H211 CHO 201 0.931 6.611 -0.703 1047 H212 CHO 201 H212 CHO 201 2.007 7.946 -0.221 1048 H213 CHO 201 H213 CHO 201 0.321 7.911 0.348 1049 H221 CHO 201 H221 CHO 201 3.399 5.674 0.463 1050 H222 CHO 201 H222 CHO 201 3.399 5.758 2.257 1051 H231 CHO 201 H231 CHO 201 3.578 8.233 2.100 1052 H232 CHO 201 H232 CHO 201 3.724 8.070 0.323 1053 HN CHO 201 HN CHO 201 5.059 5.574 2.403 1054 H261 CHO 201 H261 CHO 201 7.804 6.556 1.842 1055 H262 CHO 201 H262 CHO 201 7.316 4.846 1.814 Start of MODEL 13 1 H ALA 1 H ALA 1 -14.949 -6.409 -2.237 2 HA ALA 1 HA ALA 1 -14.489 -8.233 -3.681 3 HB1 ALA 1 HB1 ALA 1 -15.075 -7.346 -5.790 4 HB2 ALA 1 HB2 ALA 1 -13.361 -7.754 -5.882 5 HB3 ALA 1 HB3 ALA 1 -13.859 -6.076 -5.673 6 H PHE 2 H PHE 2 -12.923 -5.663 -2.283 7 HA PHE 2 HA PHE 2 -10.234 -6.578 -2.876 8 HB2 PHE 2 HB2 PHE 2 -11.275 -4.287 -1.214 9 HB3 PHE 2 HB3 PHE 2 -9.567 -4.700 -1.320 10 HD1 PHE 2 HD1 PHE 2 -12.451 -3.334 -3.097 11 HD2 PHE 2 HD2 PHE 2 -8.316 -4.305 -3.340 12 HE1 PHE 2 HE1 PHE 2 -12.261 -1.989 -5.144 13 HE2 PHE 2 HE2 PHE 2 -8.120 -2.955 -5.388 14 HZ PHE 2 HZ PHE 2 -10.095 -1.795 -6.292 15 H THR 3 H THR 3 -12.588 -7.502 -0.732 16 HA THR 3 HA THR 3 -11.278 -7.764 1.706 17 HB THR 3 HB THR 3 -13.139 -9.914 0.821 18 HG1 THR 3 HG1 THR 3 -14.707 -8.554 0.390 19 HG21 THR 3 HG21 THR 3 -14.066 -9.464 3.080 20 HG22 THR 3 HG22 THR 3 -12.844 -8.205 3.293 21 HG23 THR 3 HG23 THR 3 -12.351 -9.891 3.104 22 H GLY 4 H GLY 4 -10.050 -9.345 2.643 23 HA2 GLY 4 HA2 GLY 4 -9.440 -11.773 2.491 24 HA3 GLY 4 HA3 GLY 4 -9.087 -11.427 0.813 25 H LYS 5 H LYS 5 -7.154 -12.590 2.131 26 HA LYS 5 HA LYS 5 -5.313 -10.517 3.065 27 HB2 LYS 5 HB2 LYS 5 -4.321 -12.096 4.343 28 HB3 LYS 5 HB3 LYS 5 -5.746 -13.069 4.004 29 HG2 LYS 5 HG2 LYS 5 -4.528 -13.994 2.021 30 HG3 LYS 5 HG3 LYS 5 -3.091 -13.154 2.596 31 HD2 LYS 5 HD2 LYS 5 -4.550 -14.948 4.481 32 HD3 LYS 5 HD3 LYS 5 -3.545 -15.672 3.223 33 HE2 LYS 5 HE2 LYS 5 -1.983 -13.627 4.310 34 HE3 LYS 5 HE3 LYS 5 -2.762 -14.388 5.693 35 HZ1 LYS 5 HZ1 LYS 5 -0.990 -15.640 3.670 36 HZ2 LYS 5 HZ2 LYS 5 -1.979 -16.561 4.696 37 HZ3 LYS 5 HZ3 LYS 5 -0.785 -15.563 5.353 38 H TYR 6 H TYR 6 -3.329 -10.136 2.034 39 HA TYR 6 HA TYR 6 -3.026 -11.416 -0.602 40 HB2 TYR 6 HB2 TYR 6 -2.678 -8.471 -0.014 41 HB3 TYR 6 HB3 TYR 6 -2.309 -9.251 -1.539 42 HD1 TYR 6 HD1 TYR 6 -4.077 -9.978 -3.029 43 HD2 TYR 6 HD2 TYR 6 -4.972 -8.063 0.658 44 HE1 TYR 6 HE1 TYR 6 -6.384 -9.605 -3.788 45 HE2 TYR 6 HE2 TYR 6 -7.283 -7.689 -0.089 46 HH TYR 6 HH TYR 6 -8.728 -7.895 -1.735 47 H GLU 7 H GLU 7 -0.967 -11.868 -1.206 48 HA GLU 7 HA GLU 7 1.168 -11.054 0.639 49 HB2 GLU 7 HB2 GLU 7 0.522 -13.791 -0.419 50 HB3 GLU 7 HB3 GLU 7 2.177 -13.374 0.021 51 HG2 GLU 7 HG2 GLU 7 1.502 -12.881 2.278 52 HG3 GLU 7 HG3 GLU 7 -0.192 -13.140 1.869 53 H PHE 8 H PHE 8 3.162 -10.704 -0.247 54 HA PHE 8 HA PHE 8 3.336 -9.444 -2.666 55 HB2 PHE 8 HB2 PHE 8 5.053 -9.060 -1.096 56 HB3 PHE 8 HB3 PHE 8 5.434 -10.774 -0.965 57 HD1 PHE 8 HD1 PHE 8 5.308 -8.135 -3.617 58 HD2 PHE 8 HD2 PHE 8 7.367 -11.475 -1.964 59 HE1 PHE 8 HE1 PHE 8 7.082 -7.877 -5.304 60 HE2 PHE 8 HE2 PHE 8 9.144 -11.215 -3.640 61 HZ PHE 8 HZ PHE 8 9.001 -9.415 -5.313 62 H GLU 9 H GLU 9 3.199 -10.089 -4.684 63 HA GLU 9 HA GLU 9 4.016 -12.834 -5.365 64 HB2 GLU 9 HB2 GLU 9 1.585 -12.390 -5.621 65 HB3 GLU 9 HB3 GLU 9 1.966 -11.112 -6.767 66 HG2 GLU 9 HG2 GLU 9 1.703 -12.691 -8.315 67 HG3 GLU 9 HG3 GLU 9 3.311 -13.218 -7.828 68 H SER 10 H SER 10 3.722 -9.535 -6.681 69 HA SER 10 HA SER 10 6.349 -9.760 -7.876 70 HB2 SER 10 HB2 SER 10 3.852 -9.445 -9.558 71 HB3 SER 10 HB3 SER 10 5.473 -9.105 -10.146 72 HG SER 10 HG SER 10 5.358 -11.538 -8.956 73 H ASP 11 H ASP 11 6.975 -7.641 -8.933 74 HA ASP 11 HA ASP 11 5.424 -5.317 -8.293 75 HB2 ASP 11 HB2 ASP 11 6.825 -4.307 -6.680 76 HB3 ASP 11 HB3 ASP 11 6.627 -5.963 -6.114 77 H GLU 12 H GLU 12 6.715 -3.294 -8.878 78 HA GLU 12 HA GLU 12 8.860 -3.745 -10.777 79 HB2 GLU 12 HB2 GLU 12 7.127 -4.082 -12.317 80 HB3 GLU 12 HB3 GLU 12 6.110 -2.868 -11.568 81 HG2 GLU 12 HG2 GLU 12 7.664 -1.122 -12.388 82 HG3 GLU 12 HG3 GLU 12 8.571 -2.381 -13.223 83 H ASN 13 H ASN 13 10.116 -2.010 -11.075 84 HA ASN 13 HA ASN 13 11.139 -0.024 -10.689 85 HB2 ASN 13 HB2 ASN 13 8.261 0.788 -10.787 86 HB3 ASN 13 HB3 ASN 13 9.474 1.974 -10.315 87 HD21 ASN 13 HD21 ASN 13 7.842 2.118 -12.591 88 HD22 ASN 13 HD22 ASN 13 8.861 2.057 -13.989 89 H TYR 14 H TYR 14 10.586 -1.755 -8.381 90 HA TYR 14 HA TYR 14 9.772 -0.275 -6.141 91 HB2 TYR 14 HB2 TYR 14 10.001 -2.734 -6.142 92 HB3 TYR 14 HB3 TYR 14 11.751 -2.564 -6.238 93 HD1 TYR 14 HD1 TYR 14 13.032 -1.782 -4.309 94 HD2 TYR 14 HD2 TYR 14 8.820 -2.317 -4.067 95 HE1 TYR 14 HE1 TYR 14 13.162 -1.657 -1.858 96 HE2 TYR 14 HE2 TYR 14 8.940 -2.185 -1.616 97 HH TYR 14 HH TYR 14 10.820 -2.662 0.162 98 H ASP 15 H ASP 15 13.077 -1.090 -7.171 99 HA ASP 15 HA ASP 15 14.453 0.428 -5.293 100 HB2 ASP 15 HB2 ASP 15 15.524 0.099 -8.071 101 HB3 ASP 15 HB3 ASP 15 16.377 0.014 -6.538 102 H ASP 16 H ASP 16 13.295 1.364 -8.508 103 HA ASP 16 HA ASP 16 14.507 3.921 -8.549 104 HB2 ASP 16 HB2 ASP 16 12.812 2.402 -10.234 105 HB3 ASP 16 HB3 ASP 16 12.038 3.965 -9.998 106 H PHE 17 H PHE 17 11.329 2.799 -7.544 107 HA PHE 17 HA PHE 17 10.196 5.299 -6.954 108 HB2 PHE 17 HB2 PHE 17 8.901 3.224 -7.212 109 HB3 PHE 17 HB3 PHE 17 9.625 2.591 -5.742 110 HD1 PHE 17 HD1 PHE 17 7.429 5.283 -7.044 111 HD2 PHE 17 HD2 PHE 17 8.701 3.049 -3.646 112 HE1 PHE 17 HE1 PHE 17 5.599 6.253 -5.716 113 HE2 PHE 17 HE2 PHE 17 6.874 4.020 -2.319 114 HZ PHE 17 HZ PHE 17 5.322 5.624 -3.356 115 H VAL 18 H VAL 18 11.614 2.875 -4.765 116 HA VAL 18 HA VAL 18 11.389 4.401 -2.437 117 HB VAL 18 HB VAL 18 13.080 2.883 -1.468 118 HG11 VAL 18 HG11 VAL 18 11.022 1.486 -3.170 119 HG12 VAL 18 HG12 VAL 18 10.694 2.272 -1.625 120 HG13 VAL 18 HG13 VAL 18 11.760 0.867 -1.693 121 HG21 VAL 18 HG21 VAL 18 14.559 2.605 -3.361 122 HG22 VAL 18 HG22 VAL 18 13.272 1.833 -4.290 123 HG23 VAL 18 HG23 VAL 18 13.935 1.032 -2.862 124 H LYS 19 H LYS 19 13.975 4.299 -4.842 125 HA LYS 19 HA LYS 19 15.761 5.927 -3.308 126 HB2 LYS 19 HB2 LYS 19 15.668 4.975 -6.149 127 HB3 LYS 19 HB3 LYS 19 16.828 6.210 -5.675 128 HG2 LYS 19 HG2 LYS 19 16.654 3.713 -4.065 129 HG3 LYS 19 HG3 LYS 19 17.468 3.677 -5.630 130 HD2 LYS 19 HD2 LYS 19 19.170 5.020 -4.936 131 HD3 LYS 19 HD3 LYS 19 18.155 5.892 -3.786 132 HE2 LYS 19 HE2 LYS 19 18.220 4.046 -2.257 133 HE3 LYS 19 HE3 LYS 19 19.091 3.056 -3.428 134 HZ1 LYS 19 HZ1 LYS 19 20.917 4.684 -3.314 135 HZ2 LYS 19 HZ2 LYS 19 20.629 3.922 -1.834 136 HZ3 LYS 19 HZ3 LYS 19 20.092 5.502 -2.087 137 H LYS 20 H LYS 20 13.176 6.537 -5.567 138 HA LYS 20 HA LYS 20 13.871 9.275 -6.069 139 HB2 LYS 20 HB2 LYS 20 12.535 7.817 -7.624 140 HB3 LYS 20 HB3 LYS 20 11.198 7.935 -6.494 141 HG2 LYS 20 HG2 LYS 20 10.712 9.540 -8.092 142 HG3 LYS 20 HG3 LYS 20 11.442 10.475 -6.785 143 HD2 LYS 20 HD2 LYS 20 13.436 10.778 -7.952 144 HD3 LYS 20 HD3 LYS 20 13.120 9.414 -9.032 145 HE2 LYS 20 HE2 LYS 20 11.201 10.718 -9.962 146 HE3 LYS 20 HE3 LYS 20 11.759 12.097 -9.015 147 HZ1 LYS 20 HZ1 LYS 20 12.554 12.124 -11.321 148 HZ2 LYS 20 HZ2 LYS 20 13.388 10.677 -11.052 149 HZ3 LYS 20 HZ3 LYS 20 13.825 12.076 -10.207 150 H ILE 21 H ILE 21 11.575 7.600 -3.952 151 HA ILE 21 HA ILE 21 10.431 10.034 -2.971 152 HB ILE 21 HB ILE 21 9.246 8.657 -1.353 153 HG12 ILE 21 HG12 ILE 21 10.726 6.263 -2.437 154 HG13 ILE 21 HG13 ILE 21 11.237 7.099 -0.976 155 HG21 ILE 21 HG21 ILE 21 8.265 6.967 -3.049 156 HG22 ILE 21 HG22 ILE 21 9.353 7.745 -4.201 157 HG23 ILE 21 HG23 ILE 21 8.117 8.693 -3.374 158 HD11 ILE 21 HD11 ILE 21 9.947 5.191 -0.361 159 HD12 ILE 21 HD12 ILE 21 8.630 5.669 -1.432 160 HD13 ILE 21 HD13 ILE 21 9.001 6.634 -0.002 161 H GLY 22 H GLY 22 13.301 8.363 -2.283 162 HA2 GLY 22 HA2 GLY 22 15.005 9.189 -0.904 163 HA3 GLY 22 HA3 GLY 22 13.824 10.199 -0.089 164 H LEU 23 H LEU 23 13.367 6.759 -0.578 165 HA LEU 23 HA LEU 23 12.990 6.340 2.216 166 HB2 LEU 23 HB2 LEU 23 11.917 5.055 0.286 167 HB3 LEU 23 HB3 LEU 23 13.443 4.207 0.140 168 HG LEU 23 HG LEU 23 13.176 3.422 2.484 169 HD11 LEU 23 HD11 LEU 23 10.315 4.273 2.299 170 HD12 LEU 23 HD12 LEU 23 11.532 5.313 3.032 171 HD13 LEU 23 HD13 LEU 23 11.221 3.713 3.704 172 HD21 LEU 23 HD21 LEU 23 11.498 2.682 0.197 173 HD22 LEU 23 HD22 LEU 23 10.935 2.085 1.756 174 HD23 LEU 23 HD23 LEU 23 12.558 1.688 1.195 175 HA PRO 24 HA PRO 24 17.295 5.782 3.232 176 HB2 PRO 24 HB2 PRO 24 16.905 4.583 5.669 177 HB3 PRO 24 HB3 PRO 24 16.778 6.332 5.410 178 HG2 PRO 24 HG2 PRO 24 14.622 4.297 5.604 179 HG3 PRO 24 HG3 PRO 24 14.684 5.943 6.260 180 HD2 PRO 24 HD2 PRO 24 13.305 5.326 4.030 181 HD3 PRO 24 HD3 PRO 24 14.087 6.904 4.261 182 H ALA 25 H ALA 25 18.767 4.162 3.025 183 HA ALA 25 HA ALA 25 18.103 1.763 1.799 184 HB1 ALA 25 HB1 ALA 25 20.576 2.111 3.469 185 HB2 ALA 25 HB2 ALA 25 20.369 2.904 1.908 186 HB3 ALA 25 HB3 ALA 25 20.366 1.143 2.008 187 H ASP 26 H ASP 26 18.532 2.503 5.193 188 HA ASP 26 HA ASP 26 18.659 -0.024 6.312 189 HB2 ASP 26 HB2 ASP 26 17.146 2.313 7.492 190 HB3 ASP 26 HB3 ASP 26 17.881 0.977 8.367 191 H LYS 27 H LYS 27 15.826 1.864 5.372 192 HA LYS 27 HA LYS 27 14.008 -0.206 6.282 193 HB2 LYS 27 HB2 LYS 27 13.318 2.303 4.766 194 HB3 LYS 27 HB3 LYS 27 12.236 1.302 5.721 195 HG2 LYS 27 HG2 LYS 27 14.582 2.641 6.996 196 HG3 LYS 27 HG3 LYS 27 13.097 3.533 6.692 197 HD2 LYS 27 HD2 LYS 27 12.655 0.946 7.956 198 HD3 LYS 27 HD3 LYS 27 13.645 2.037 8.927 199 HE2 LYS 27 HE2 LYS 27 11.850 3.799 8.465 200 HE3 LYS 27 HE3 LYS 27 10.854 2.468 7.890 201 HZ1 LYS 27 HZ1 LYS 27 11.995 2.721 10.621 202 HZ2 LYS 27 HZ2 LYS 27 11.058 1.425 10.068 203 HZ3 LYS 27 HZ3 LYS 27 10.380 2.966 10.193 204 H ILE 28 H ILE 28 15.403 0.994 3.324 205 HA ILE 28 HA ILE 28 13.656 -0.164 1.466 206 HB ILE 28 HB ILE 28 16.580 0.560 1.305 207 HG12 ILE 28 HG12 ILE 28 14.129 1.719 -0.027 208 HG13 ILE 28 HG13 ILE 28 14.961 2.408 1.366 209 HG21 ILE 28 HG21 ILE 28 16.571 0.103 -1.057 210 HG22 ILE 28 HG22 ILE 28 14.902 -0.456 -0.976 211 HG23 ILE 28 HG23 ILE 28 16.178 -1.364 -0.164 212 HD11 ILE 28 HD11 ILE 28 15.536 3.553 -0.706 213 HD12 ILE 28 HD12 ILE 28 16.152 2.044 -1.378 214 HD13 ILE 28 HD13 ILE 28 16.944 2.777 0.018 215 H GLU 29 H GLU 29 16.797 -1.379 2.665 216 HA GLU 29 HA GLU 29 16.615 -3.901 1.407 217 HB2 GLU 29 HB2 GLU 29 18.158 -3.302 3.936 218 HB3 GLU 29 HB3 GLU 29 18.505 -4.535 2.733 219 HG2 GLU 29 HG2 GLU 29 18.604 -1.592 2.143 220 HG3 GLU 29 HG3 GLU 29 19.994 -2.522 2.703 221 H MET 30 H MET 30 15.474 -2.660 4.421 222 HA MET 30 HA MET 30 14.924 -5.088 5.733 223 HB2 MET 30 HB2 MET 30 15.102 -2.758 6.727 224 HB3 MET 30 HB3 MET 30 13.490 -2.461 6.100 225 HG2 MET 30 HG2 MET 30 13.473 -3.046 8.461 226 HG3 MET 30 HG3 MET 30 12.587 -4.217 7.490 227 HE1 MET 30 HE1 MET 30 13.204 -6.553 7.081 228 HE2 MET 30 HE2 MET 30 12.595 -6.417 8.733 229 HE3 MET 30 HE3 MET 30 13.985 -7.444 8.384 230 H GLY 31 H GLY 31 13.072 -3.059 3.523 231 HA2 GLY 31 HA2 GLY 31 10.897 -5.064 3.610 232 HA3 GLY 31 HA3 GLY 31 10.654 -3.359 3.261 233 H ARG 32 H ARG 32 13.289 -5.253 1.907 234 HA ARG 32 HA ARG 32 12.355 -4.525 -0.728 235 HB2 ARG 32 HB2 ARG 32 14.889 -5.203 0.450 236 HB3 ARG 32 HB3 ARG 32 14.597 -6.194 -0.975 237 HG2 ARG 32 HG2 ARG 32 14.218 -4.205 -2.307 238 HG3 ARG 32 HG3 ARG 32 14.463 -3.197 -0.878 239 HD2 ARG 32 HD2 ARG 32 16.714 -3.515 -0.870 240 HD3 ARG 32 HD3 ARG 32 16.598 -5.133 -1.561 241 HE ARG 32 HE ARG 32 15.826 -3.503 -3.596 242 HH11 ARG 32 HH11 ARG 32 18.616 -3.581 -1.443 243 HH12 ARG 32 HH12 ARG 32 19.740 -2.958 -2.714 244 HH21 ARG 32 HH21 ARG 32 17.212 -2.686 -5.223 245 HH22 ARG 32 HH22 ARG 32 18.966 -2.460 -4.813 246 H ASN 33 H ASN 33 10.726 -5.728 -1.430 247 HA ASN 33 HA ASN 33 9.546 -7.478 -2.236 248 HB2 ASN 33 HB2 ASN 33 12.082 -9.050 -2.486 249 HB3 ASN 33 HB3 ASN 33 10.693 -9.061 -3.527 250 HD21 ASN 33 HD21 ASN 33 10.536 -7.552 -5.076 251 HD22 ASN 33 HD22 ASN 33 11.841 -6.527 -5.485 252 H CYS 34 H CYS 34 10.038 -7.367 0.654 253 HA CYS 34 HA CYS 34 10.328 -10.067 1.578 254 HB2 CYS 34 HB2 CYS 34 9.221 -7.695 3.097 255 HB3 CYS 34 HB3 CYS 34 9.894 -9.175 3.772 256 HG CYS 34 HG CYS 34 11.683 -7.020 4.163 257 H LYS 35 H LYS 35 8.616 -11.113 2.930 258 HA LYS 35 HA LYS 35 6.211 -11.288 1.392 259 HB2 LYS 35 HB2 LYS 35 5.537 -12.986 3.132 260 HB3 LYS 35 HB3 LYS 35 7.011 -13.340 2.247 261 HG2 LYS 35 HG2 LYS 35 8.370 -12.827 4.108 262 HG3 LYS 35 HG3 LYS 35 7.042 -12.040 4.958 263 HD2 LYS 35 HD2 LYS 35 7.388 -14.185 5.961 264 HD3 LYS 35 HD3 LYS 35 5.882 -14.250 5.053 265 HE2 LYS 35 HE2 LYS 35 8.282 -15.056 3.558 266 HE3 LYS 35 HE3 LYS 35 7.854 -16.106 4.906 267 HZ1 LYS 35 HZ1 LYS 35 5.574 -16.192 3.950 268 HZ2 LYS 35 HZ2 LYS 35 6.759 -16.913 2.984 269 HZ3 LYS 35 HZ3 LYS 35 6.157 -15.383 2.588 270 H ILE 36 H ILE 36 5.519 -9.047 1.718 271 HA ILE 36 HA ILE 36 4.462 -8.327 4.304 272 HB ILE 36 HB ILE 36 3.950 -6.965 1.653 273 HG12 ILE 36 HG12 ILE 36 6.342 -7.060 1.976 274 HG13 ILE 36 HG13 ILE 36 5.788 -5.425 2.323 275 HG21 ILE 36 HG21 ILE 36 3.675 -6.063 4.515 276 HG22 ILE 36 HG22 ILE 36 2.399 -6.238 3.313 277 HG23 ILE 36 HG23 ILE 36 3.610 -4.971 3.134 278 HD11 ILE 36 HD11 ILE 36 7.462 -6.179 3.909 279 HD12 ILE 36 HD12 ILE 36 6.422 -7.527 4.369 280 HD13 ILE 36 HD13 ILE 36 5.914 -5.869 4.696 281 H VAL 37 H VAL 37 2.543 -8.952 5.036 282 HA VAL 37 HA VAL 37 0.587 -10.019 3.133 283 HB VAL 37 HB VAL 37 0.386 -10.160 6.132 284 HG11 VAL 37 HG11 VAL 37 -0.869 -11.762 3.916 285 HG12 VAL 37 HG12 VAL 37 -1.674 -10.608 4.979 286 HG13 VAL 37 HG13 VAL 37 -1.035 -12.114 5.637 287 HG21 VAL 37 HG21 VAL 37 2.517 -11.168 5.393 288 HG22 VAL 37 HG22 VAL 37 1.610 -12.226 4.312 289 HG23 VAL 37 HG23 VAL 37 1.396 -12.357 6.059 290 H THR 38 H THR 38 -1.181 -8.949 2.631 291 HA THR 38 HA THR 38 -1.894 -6.537 4.185 292 HB THR 38 HB THR 38 -2.611 -7.195 1.313 293 HG1 THR 38 HG1 THR 38 -0.274 -6.759 1.956 294 HG21 THR 38 HG21 THR 38 -3.361 -4.947 1.132 295 HG22 THR 38 HG22 THR 38 -2.702 -4.534 2.715 296 HG23 THR 38 HG23 THR 38 -4.093 -5.611 2.592 297 H GLU 39 H GLU 39 -3.555 -7.091 5.570 298 HA GLU 39 HA GLU 39 -5.584 -8.986 4.611 299 HB2 GLU 39 HB2 GLU 39 -5.213 -7.849 7.383 300 HB3 GLU 39 HB3 GLU 39 -6.355 -9.097 6.926 301 HG2 GLU 39 HG2 GLU 39 -4.450 -10.543 6.292 302 HG3 GLU 39 HG3 GLU 39 -3.355 -9.300 6.901 303 H VAL 40 H VAL 40 -7.394 -8.237 3.777 304 HA VAL 40 HA VAL 40 -8.258 -5.511 4.483 305 HB VAL 40 HB VAL 40 -8.850 -7.090 1.982 306 HG11 VAL 40 HG11 VAL 40 -10.649 -5.584 2.447 307 HG12 VAL 40 HG12 VAL 40 -9.685 -4.905 1.134 308 HG13 VAL 40 HG13 VAL 40 -9.526 -4.258 2.767 309 HG21 VAL 40 HG21 VAL 40 -7.349 -5.521 0.851 310 HG22 VAL 40 HG22 VAL 40 -6.497 -6.431 2.098 311 HG23 VAL 40 HG23 VAL 40 -6.972 -4.759 2.397 312 H VAL 41 H VAL 41 -10.059 -5.359 5.644 313 HA VAL 41 HA VAL 41 -12.006 -7.571 5.547 314 HB VAL 41 HB VAL 41 -11.681 -5.434 7.669 315 HG11 VAL 41 HG11 VAL 41 -13.466 -7.863 7.588 316 HG12 VAL 41 HG12 VAL 41 -13.986 -6.184 7.461 317 HG13 VAL 41 HG13 VAL 41 -13.274 -6.777 8.962 318 HG21 VAL 41 HG21 VAL 41 -10.875 -8.336 7.632 319 HG22 VAL 41 HG22 VAL 41 -10.923 -7.341 9.088 320 HG23 VAL 41 HG23 VAL 41 -9.818 -6.932 7.776 321 H GLN 42 H GLN 42 -13.933 -7.165 4.609 322 HA GLN 42 HA GLN 42 -14.422 -4.428 3.705 323 HB2 GLN 42 HB2 GLN 42 -14.289 -6.234 2.031 324 HB3 GLN 42 HB3 GLN 42 -15.666 -7.017 2.789 325 HG2 GLN 42 HG2 GLN 42 -17.070 -5.081 2.225 326 HG3 GLN 42 HG3 GLN 42 -15.682 -4.313 1.459 327 HE21 GLN 42 HE21 GLN 42 -18.053 -6.831 1.215 328 HE22 GLN 42 HE22 GLN 42 -17.776 -7.209 -0.447 329 H ASN 43 H ASN 43 -15.636 -3.294 5.071 330 HA ASN 43 HA ASN 43 -18.197 -4.487 5.828 331 HB2 ASN 43 HB2 ASN 43 -18.162 -3.384 7.962 332 HB3 ASN 43 HB3 ASN 43 -16.703 -4.347 7.804 333 HD21 ASN 43 HD21 ASN 43 -14.743 -3.245 7.375 334 HD22 ASN 43 HD22 ASN 43 -14.521 -1.581 7.790 335 H GLY 44 H GLY 44 -18.780 -3.656 3.839 336 HA2 GLY 44 HA2 GLY 44 -20.223 -2.210 2.781 337 HA3 GLY 44 HA3 GLY 44 -19.994 -1.036 4.065 338 H ASN 45 H ASN 45 -18.833 0.674 3.650 339 HA ASN 45 HA ASN 45 -17.278 0.719 1.156 340 HB2 ASN 45 HB2 ASN 45 -18.900 2.706 2.617 341 HB3 ASN 45 HB3 ASN 45 -17.396 3.320 1.947 342 HD21 ASN 45 HD21 ASN 45 -19.125 0.698 0.454 343 HD22 ASN 45 HD22 ASN 45 -19.666 1.595 -0.930 344 H ASP 46 H ASP 46 -16.778 0.199 4.320 345 HA ASP 46 HA ASP 46 -14.294 1.735 4.457 346 HB2 ASP 46 HB2 ASP 46 -15.725 1.982 6.391 347 HB3 ASP 46 HB3 ASP 46 -15.822 0.236 6.593 348 H PHE 47 H PHE 47 -12.565 0.784 3.725 349 HA PHE 47 HA PHE 47 -12.270 -2.124 4.062 350 HB2 PHE 47 HB2 PHE 47 -10.987 -0.233 2.071 351 HB3 PHE 47 HB3 PHE 47 -10.548 -1.931 2.245 352 HD1 PHE 47 HD1 PHE 47 -13.260 0.377 1.293 353 HD2 PHE 47 HD2 PHE 47 -11.864 -3.641 1.292 354 HE1 PHE 47 HE1 PHE 47 -15.052 -0.237 -0.277 355 HE2 PHE 47 HE2 PHE 47 -13.652 -4.270 -0.277 356 HZ PHE 47 HZ PHE 47 -15.248 -2.563 -1.064 357 H THR 48 H THR 48 -10.555 -2.915 5.144 358 HA THR 48 HA THR 48 -8.820 -0.941 6.442 359 HB THR 48 HB THR 48 -8.328 -3.060 7.929 360 HG1 THR 48 HG1 THR 48 -10.700 -4.023 7.950 361 HG21 THR 48 HG21 THR 48 -10.998 -1.673 8.175 362 HG22 THR 48 HG22 THR 48 -9.463 -0.912 8.594 363 HG23 THR 48 HG23 THR 48 -10.006 -2.342 9.471 364 H TRP 49 H TRP 49 -6.697 -0.965 6.157 365 HA TRP 49 HA TRP 49 -5.550 -3.104 4.484 366 HB2 TRP 49 HB2 TRP 49 -5.450 -0.298 4.223 367 HB3 TRP 49 HB3 TRP 49 -3.853 -0.776 4.785 368 HD1 TRP 49 HD1 TRP 49 -2.223 -1.365 2.917 369 HE1 TRP 49 HE1 TRP 49 -2.400 -2.115 0.462 370 HE3 TRP 49 HE3 TRP 49 -7.305 -1.802 2.568 371 HZ2 TRP 49 HZ2 TRP 49 -4.421 -2.802 -1.375 372 HZ3 TRP 49 HZ3 TRP 49 -8.280 -2.507 0.421 373 HH2 TRP 49 HH2 TRP 49 -6.864 -2.995 -1.511 374 H THR 50 H THR 50 -4.817 -4.568 5.904 375 HA THR 50 HA THR 50 -3.228 -3.640 8.195 376 HB THR 50 HB THR 50 -3.988 -6.500 7.791 377 HG1 THR 50 HG1 THR 50 -5.937 -5.294 7.478 378 HG21 THR 50 HG21 THR 50 -2.511 -5.549 9.664 379 HG22 THR 50 HG22 THR 50 -3.821 -6.641 10.118 380 HG23 THR 50 HG23 THR 50 -4.010 -4.900 10.325 381 H GLN 51 H GLN 51 -1.136 -3.452 7.650 382 HA GLN 51 HA GLN 51 0.027 -5.390 5.783 383 HB2 GLN 51 HB2 GLN 51 1.270 -2.874 6.899 384 HB3 GLN 51 HB3 GLN 51 1.889 -3.865 5.587 385 HG2 GLN 51 HG2 GLN 51 -0.474 -2.029 5.603 386 HG3 GLN 51 HG3 GLN 51 0.928 -2.011 4.536 387 HE21 GLN 51 HE21 GLN 51 1.044 -3.561 2.871 388 HE22 GLN 51 HE22 GLN 51 -0.373 -4.368 2.296 389 H HIS 52 H HIS 52 1.039 -7.071 6.580 390 HA HIS 52 HA HIS 52 2.113 -6.888 9.300 391 HB2 HIS 52 HB2 HIS 52 1.351 -9.292 7.647 392 HB3 HIS 52 HB3 HIS 52 2.096 -9.383 9.237 393 HD2 HIS 52 HD2 HIS 52 -1.326 -8.767 7.595 394 HE1 HIS 52 HE1 HIS 52 -1.782 -8.455 11.789 395 HE2 HIS 52 HE2 HIS 52 -2.991 -8.783 9.583 396 H PHE 53 H PHE 53 4.142 -6.786 9.613 397 HA PHE 53 HA PHE 53 5.970 -7.405 7.412 398 HB2 PHE 53 HB2 PHE 53 5.894 -5.154 8.748 399 HB3 PHE 53 HB3 PHE 53 6.775 -6.057 9.972 400 HD1 PHE 53 HD1 PHE 53 7.027 -6.249 6.283 401 HD2 PHE 53 HD2 PHE 53 8.896 -5.156 9.937 402 HE1 PHE 53 HE1 PHE 53 9.132 -5.835 5.082 403 HE2 PHE 53 HE2 PHE 53 11.003 -4.743 8.742 404 HZ PHE 53 HZ PHE 53 11.120 -5.080 6.317 405 HA PRO 54 HA PRO 54 7.001 -11.182 9.568 406 HB2 PRO 54 HB2 PRO 54 9.252 -11.755 8.097 407 HB3 PRO 54 HB3 PRO 54 7.604 -12.078 7.520 408 HG2 PRO 54 HG2 PRO 54 9.408 -9.800 6.883 409 HG3 PRO 54 HG3 PRO 54 8.339 -10.729 5.814 410 HD2 PRO 54 HD2 PRO 54 7.647 -8.303 6.736 411 HD3 PRO 54 HD3 PRO 54 6.446 -9.587 6.485 412 H GLY 55 H GLY 55 7.821 -10.987 11.559 413 HA2 GLY 55 HA2 GLY 55 9.332 -10.656 13.251 414 HA3 GLY 55 HA3 GLY 55 10.585 -10.640 12.020 415 H GLY 56 H GLY 56 7.905 -8.378 12.012 416 HA2 GLY 56 HA2 GLY 56 9.588 -6.295 13.173 417 HA3 GLY 56 HA3 GLY 56 9.073 -6.080 11.512 418 H ARG 57 H ARG 57 8.182 -4.102 12.501 419 HA ARG 57 HA ARG 57 5.881 -4.322 14.197 420 HB2 ARG 57 HB2 ARG 57 5.672 -1.873 13.809 421 HB3 ARG 57 HB3 ARG 57 7.263 -2.354 14.372 422 HG2 ARG 57 HG2 ARG 57 7.972 -1.032 12.716 423 HG3 ARG 57 HG3 ARG 57 7.648 -2.434 11.694 424 HD2 ARG 57 HD2 ARG 57 6.392 -0.974 10.525 425 HD3 ARG 57 HD3 ARG 57 5.199 -1.288 11.786 426 HE ARG 57 HE ARG 57 7.098 0.938 12.080 427 HH11 ARG 57 HH11 ARG 57 3.777 -0.232 11.723 428 HH12 ARG 57 HH12 ARG 57 3.067 1.370 12.159 429 HH21 ARG 57 HH21 ARG 57 6.206 2.962 12.608 430 HH22 ARG 57 HH22 ARG 57 4.404 3.137 12.639 431 H THR 58 H THR 58 3.749 -3.918 13.686 432 HA THR 58 HA THR 58 3.057 -4.470 10.902 433 HB THR 58 HB THR 58 2.188 -5.908 12.781 434 HG1 THR 58 HG1 THR 58 1.091 -6.007 10.850 435 HG21 THR 58 HG21 THR 58 1.733 -4.039 14.348 436 HG22 THR 58 HG22 THR 58 0.367 -5.128 14.130 437 HG23 THR 58 HG23 THR 58 0.381 -3.560 13.321 438 H THR 59 H THR 59 1.162 -3.333 9.989 439 HA THR 59 HA THR 59 0.670 -0.671 11.121 440 HB THR 59 HB THR 59 1.030 -0.673 8.195 441 HG1 THR 59 HG1 THR 59 2.849 -1.930 9.432 442 HG21 THR 59 HG21 THR 59 2.038 1.491 8.643 443 HG22 THR 59 HG22 THR 59 2.062 1.145 10.373 444 HG23 THR 59 HG23 THR 59 0.524 1.344 9.538 445 H THR 60 H THR 60 -1.493 -0.562 11.313 446 HA THR 60 HA THR 60 -3.124 -1.753 9.165 447 HB THR 60 HB THR 60 -4.078 -1.382 11.996 448 HG1 THR 60 HG1 THR 60 -2.182 -2.836 11.755 449 HG21 THR 60 HG21 THR 60 -5.719 -3.092 11.333 450 HG22 THR 60 HG22 THR 60 -5.004 -3.145 9.719 451 HG23 THR 60 HG23 THR 60 -5.797 -1.676 10.286 452 H ASN 61 H ASN 61 -4.272 -0.370 8.026 453 HA ASN 61 HA ASN 61 -5.082 2.173 9.292 454 HB2 ASN 61 HB2 ASN 61 -4.557 1.853 6.334 455 HB3 ASN 61 HB3 ASN 61 -4.770 3.348 7.243 456 HD21 ASN 61 HD21 ASN 61 -2.581 0.756 6.441 457 HD22 ASN 61 HD22 ASN 61 -1.147 1.535 7.014 458 H SER 62 H SER 62 -7.172 2.679 9.175 459 HA SER 62 HA SER 62 -8.877 0.943 7.534 460 HB2 SER 62 HB2 SER 62 -10.644 1.385 9.205 461 HB3 SER 62 HB3 SER 62 -9.219 0.639 9.929 462 HG SER 62 HG SER 62 -10.164 3.277 10.167 463 H PHE 63 H PHE 63 -9.908 1.923 5.891 464 HA PHE 63 HA PHE 63 -10.383 4.801 6.133 465 HB2 PHE 63 HB2 PHE 63 -9.670 5.144 3.793 466 HB3 PHE 63 HB3 PHE 63 -8.352 4.600 4.824 467 HD1 PHE 63 HD1 PHE 63 -7.494 2.301 4.634 468 HD2 PHE 63 HD2 PHE 63 -10.460 3.822 1.978 469 HE1 PHE 63 HE1 PHE 63 -7.041 0.453 3.071 470 HE2 PHE 63 HE2 PHE 63 -10.012 1.975 0.419 471 HZ PHE 63 HZ PHE 63 -8.297 0.286 0.965 472 H THR 64 H THR 64 -12.240 5.508 5.424 473 HA THR 64 HA THR 64 -14.053 3.598 4.143 474 HB THR 64 HB THR 64 -14.600 6.121 5.721 475 HG1 THR 64 HG1 THR 64 -14.220 3.639 6.510 476 HG21 THR 64 HG21 THR 64 -17.019 5.377 5.513 477 HG22 THR 64 HG22 THR 64 -16.480 4.335 4.197 478 HG23 THR 64 HG23 THR 64 -16.289 6.087 4.073 479 H ILE 65 H ILE 65 -14.649 3.940 2.086 480 HA ILE 65 HA ILE 65 -13.475 5.821 0.438 481 HB ILE 65 HB ILE 65 -16.160 4.512 0.015 482 HG12 ILE 65 HG12 ILE 65 -14.394 2.872 0.498 483 HG13 ILE 65 HG13 ILE 65 -14.913 2.766 -1.182 484 HG21 ILE 65 HG21 ILE 65 -15.490 6.476 -1.466 485 HG22 ILE 65 HG22 ILE 65 -15.938 4.977 -2.275 486 HG23 ILE 65 HG23 ILE 65 -14.236 5.415 -2.104 487 HD11 ILE 65 HD11 ILE 65 -12.937 4.111 -1.821 488 HD12 ILE 65 HD12 ILE 65 -12.529 2.566 -1.075 489 HD13 ILE 65 HD13 ILE 65 -12.401 4.056 -0.142 490 H ASP 66 H ASP 66 -13.750 7.866 0.058 491 HA ASP 66 HA ASP 66 -14.608 9.959 -0.141 492 HB2 ASP 66 HB2 ASP 66 -16.756 8.630 -0.810 493 HB3 ASP 66 HB3 ASP 66 -17.324 9.090 0.791 494 H LYS 67 H LYS 67 -13.776 8.522 2.401 495 HA LYS 67 HA LYS 67 -14.601 10.657 4.243 496 HB2 LYS 67 HB2 LYS 67 -15.824 8.775 4.986 497 HB3 LYS 67 HB3 LYS 67 -14.454 7.703 4.747 498 HG2 LYS 67 HG2 LYS 67 -14.664 7.991 7.066 499 HG3 LYS 67 HG3 LYS 67 -13.285 8.973 6.580 500 HD2 LYS 67 HD2 LYS 67 -14.985 10.903 6.432 501 HD3 LYS 67 HD3 LYS 67 -16.041 9.849 7.374 502 HE2 LYS 67 HE2 LYS 67 -14.329 9.693 9.114 503 HE3 LYS 67 HE3 LYS 67 -13.280 10.756 8.178 504 HZ1 LYS 67 HZ1 LYS 67 -15.949 11.496 9.245 505 HZ2 LYS 67 HZ2 LYS 67 -14.896 12.517 8.406 506 HZ3 LYS 67 HZ3 LYS 67 -14.469 11.937 9.933 507 H GLU 68 H GLU 68 -13.010 11.450 5.585 508 HA GLU 68 HA GLU 68 -10.301 10.996 4.776 509 HB2 GLU 68 HB2 GLU 68 -10.993 13.222 5.466 510 HB3 GLU 68 HB3 GLU 68 -11.483 12.622 7.043 511 HG2 GLU 68 HG2 GLU 68 -8.753 11.939 6.587 512 HG3 GLU 68 HG3 GLU 68 -8.987 13.656 6.271 513 H ALA 69 H ALA 69 -8.948 9.516 5.582 514 HA ALA 69 HA ALA 69 -9.734 8.156 8.077 515 HB1 ALA 69 HB1 ALA 69 -8.122 7.037 5.794 516 HB2 ALA 69 HB2 ALA 69 -9.845 6.767 6.043 517 HB3 ALA 69 HB3 ALA 69 -8.680 6.165 7.222 518 H ASP 70 H ASP 70 -8.021 7.307 9.396 519 HA ASP 70 HA ASP 70 -5.705 9.096 9.461 520 HB2 ASP 70 HB2 ASP 70 -6.594 7.108 11.570 521 HB3 ASP 70 HB3 ASP 70 -5.395 8.383 11.754 522 H MET 71 H MET 71 -3.843 8.371 8.663 523 HA MET 71 HA MET 71 -3.489 5.461 8.501 524 HB2 MET 71 HB2 MET 71 -2.489 7.478 6.501 525 HB3 MET 71 HB3 MET 71 -2.382 5.724 6.386 526 HG2 MET 71 HG2 MET 71 -4.548 5.487 5.810 527 HG3 MET 71 HG3 MET 71 -5.061 6.915 6.704 528 HE1 MET 71 HE1 MET 71 -6.440 8.384 4.946 529 HE2 MET 71 HE2 MET 71 -6.529 6.680 4.507 530 HE3 MET 71 HE3 MET 71 -6.256 7.899 3.258 531 H GLU 72 H GLU 72 -1.248 4.814 8.155 532 HA GLU 72 HA GLU 72 0.863 6.581 9.036 533 HB2 GLU 72 HB2 GLU 72 0.197 5.887 11.207 534 HB3 GLU 72 HB3 GLU 72 -0.109 4.240 10.680 535 HG2 GLU 72 HG2 GLU 72 2.282 3.887 10.379 536 HG3 GLU 72 HG3 GLU 72 2.598 5.541 10.883 537 H THR 73 H THR 73 2.852 5.867 8.271 538 HA THR 73 HA THR 73 2.709 3.568 6.476 539 HB THR 73 HB THR 73 4.714 4.375 5.441 540 HG1 THR 73 HG1 THR 73 6.049 5.775 6.364 541 HG21 THR 73 HG21 THR 73 2.348 5.871 5.573 542 HG22 THR 73 HG22 THR 73 3.571 5.900 4.307 543 HG23 THR 73 HG23 THR 73 3.670 7.038 5.647 544 H MET 74 H MET 74 4.889 2.361 6.303 545 HA MET 74 HA MET 74 5.388 1.211 8.887 546 HB2 MET 74 HB2 MET 74 6.465 0.658 6.125 547 HB3 MET 74 HB3 MET 74 7.128 -0.139 7.544 548 HG2 MET 74 HG2 MET 74 4.872 -1.017 8.049 549 HG3 MET 74 HG3 MET 74 4.294 -0.307 6.544 550 HE1 MET 74 HE1 MET 74 3.536 -3.080 6.695 551 HE2 MET 74 HE2 MET 74 4.756 -3.545 7.879 552 HE3 MET 74 HE3 MET 74 4.690 -4.361 6.319 553 H GLY 75 H GLY 75 6.583 3.849 7.194 554 HA2 GLY 75 HA2 GLY 75 9.284 3.729 8.227 555 HA3 GLY 75 HA3 GLY 75 8.561 5.058 7.326 556 H GLY 76 H GLY 76 6.221 4.751 9.283 557 HA2 GLY 76 HA2 GLY 76 5.912 5.228 11.618 558 HA3 GLY 76 HA3 GLY 76 7.484 6.013 11.618 559 H ARG 77 H ARG 77 5.330 6.643 8.970 560 HA ARG 77 HA ARG 77 5.132 9.412 9.873 561 HB2 ARG 77 HB2 ARG 77 4.066 8.383 7.255 562 HB3 ARG 77 HB3 ARG 77 4.604 10.006 7.655 563 HG2 ARG 77 HG2 ARG 77 6.883 9.333 7.624 564 HG3 ARG 77 HG3 ARG 77 6.440 7.632 7.509 565 HD2 ARG 77 HD2 ARG 77 6.765 7.951 5.305 566 HD3 ARG 77 HD3 ARG 77 5.149 8.640 5.351 567 HE ARG 77 HE ARG 77 6.216 10.836 5.528 568 HH11 ARG 77 HH11 ARG 77 8.166 8.116 4.431 569 HH12 ARG 77 HH12 ARG 77 9.274 9.157 3.466 570 HH21 ARG 77 HH21 ARG 77 7.628 12.200 4.360 571 HH22 ARG 77 HH22 ARG 77 9.006 11.455 3.464 572 H LYS 78 H LYS 78 3.397 10.098 10.934 573 HA LYS 78 HA LYS 78 0.878 8.601 10.670 574 HB2 LYS 78 HB2 LYS 78 1.839 10.552 12.775 575 HB3 LYS 78 HB3 LYS 78 0.208 9.907 12.723 576 HG2 LYS 78 HG2 LYS 78 1.176 8.486 14.229 577 HG3 LYS 78 HG3 LYS 78 1.452 7.595 12.731 578 HD2 LYS 78 HD2 LYS 78 3.696 8.869 12.657 579 HD3 LYS 78 HD3 LYS 78 3.390 9.198 14.365 580 HE2 LYS 78 HE2 LYS 78 3.700 6.517 13.026 581 HE3 LYS 78 HE3 LYS 78 4.758 7.246 14.231 582 HZ1 LYS 78 HZ1 LYS 78 2.506 7.212 15.590 583 HZ2 LYS 78 HZ2 LYS 78 3.574 5.901 15.571 584 HZ3 LYS 78 HZ3 LYS 78 2.201 5.888 14.573 585 H PHE 79 H PHE 79 -0.752 9.471 9.538 586 HA PHE 79 HA PHE 79 -1.096 12.327 9.269 587 HB2 PHE 79 HB2 PHE 79 -0.867 12.310 6.796 588 HB3 PHE 79 HB3 PHE 79 0.646 11.921 7.615 589 HD1 PHE 79 HD1 PHE 79 1.591 9.721 7.534 590 HD2 PHE 79 HD2 PHE 79 -2.051 10.610 5.528 591 HE1 PHE 79 HE1 PHE 79 1.773 7.621 6.281 592 HE2 PHE 79 HE2 PHE 79 -1.885 8.503 4.276 593 HZ PHE 79 HZ PHE 79 0.032 7.001 4.655 594 H LYS 80 H LYS 80 -2.884 12.697 7.481 595 HA LYS 80 HA LYS 80 -4.818 10.494 7.496 596 HB2 LYS 80 HB2 LYS 80 -5.362 13.350 8.320 597 HB3 LYS 80 HB3 LYS 80 -6.627 12.182 7.953 598 HG2 LYS 80 HG2 LYS 80 -6.498 11.291 9.977 599 HG3 LYS 80 HG3 LYS 80 -4.746 11.105 9.857 600 HD2 LYS 80 HD2 LYS 80 -5.034 12.529 11.682 601 HD3 LYS 80 HD3 LYS 80 -4.654 13.622 10.350 602 HE2 LYS 80 HE2 LYS 80 -6.544 14.364 11.805 603 HE3 LYS 80 HE3 LYS 80 -6.939 14.230 10.091 604 HZ1 LYS 80 HZ1 LYS 80 -8.321 12.493 10.443 605 HZ2 LYS 80 HZ2 LYS 80 -8.464 13.206 11.974 606 HZ3 LYS 80 HZ3 LYS 80 -7.433 11.877 11.754 607 H ALA 81 H ALA 81 -6.235 10.469 5.730 608 HA ALA 81 HA ALA 81 -6.056 12.556 3.727 609 HB1 ALA 81 HB1 ALA 81 -5.138 11.241 1.972 610 HB2 ALA 81 HB2 ALA 81 -5.169 9.783 2.963 611 HB3 ALA 81 HB3 ALA 81 -4.052 11.092 3.355 612 H THR 82 H THR 82 -7.488 12.143 1.885 613 HA THR 82 HA THR 82 -9.846 10.632 2.735 614 HB THR 82 HB THR 82 -9.814 12.456 0.356 615 HG1 THR 82 HG1 THR 82 -9.040 13.246 2.741 616 HG21 THR 82 HG21 THR 82 -12.123 12.813 0.966 617 HG22 THR 82 HG22 THR 82 -11.903 11.923 2.472 618 HG23 THR 82 HG23 THR 82 -11.807 11.079 0.925 619 H VAL 83 H VAL 83 -10.488 8.837 1.654 620 HA VAL 83 HA VAL 83 -9.009 8.152 -0.807 621 HB VAL 83 HB VAL 83 -10.248 6.251 1.190 622 HG11 VAL 83 HG11 VAL 83 -9.015 4.526 -0.043 623 HG12 VAL 83 HG12 VAL 83 -8.496 5.746 -1.208 624 HG13 VAL 83 HG13 VAL 83 -10.207 5.347 -1.050 625 HG21 VAL 83 HG21 VAL 83 -8.377 7.230 2.272 626 HG22 VAL 83 HG22 VAL 83 -7.389 7.120 0.814 627 HG23 VAL 83 HG23 VAL 83 -7.848 5.654 1.680 628 H LYS 84 H LYS 84 -10.191 7.550 -2.596 629 HA LYS 84 HA LYS 84 -13.109 7.372 -2.244 630 HB2 LYS 84 HB2 LYS 84 -13.345 8.606 -4.413 631 HB3 LYS 84 HB3 LYS 84 -12.716 9.574 -3.085 632 HG2 LYS 84 HG2 LYS 84 -10.402 8.845 -4.097 633 HG3 LYS 84 HG3 LYS 84 -11.373 8.640 -5.557 634 HD2 LYS 84 HD2 LYS 84 -12.158 10.947 -5.361 635 HD3 LYS 84 HD3 LYS 84 -11.196 11.153 -3.896 636 HE2 LYS 84 HE2 LYS 84 -9.579 11.901 -5.246 637 HE3 LYS 84 HE3 LYS 84 -9.353 10.215 -5.707 638 HZ1 LYS 84 HZ1 LYS 84 -9.657 11.890 -7.554 639 HZ2 LYS 84 HZ2 LYS 84 -11.281 11.974 -7.100 640 HZ3 LYS 84 HZ3 LYS 84 -10.627 10.501 -7.632 641 H MET 85 H MET 85 -14.071 6.587 -4.489 642 HA MET 85 HA MET 85 -12.357 4.426 -5.504 643 HB2 MET 85 HB2 MET 85 -14.708 4.153 -3.922 644 HB3 MET 85 HB3 MET 85 -15.089 3.598 -5.536 645 HG2 MET 85 HG2 MET 85 -13.156 2.084 -5.441 646 HG3 MET 85 HG3 MET 85 -12.863 2.609 -3.782 647 HE1 MET 85 HE1 MET 85 -12.895 -0.193 -3.820 648 HE2 MET 85 HE2 MET 85 -14.242 -0.813 -2.857 649 HE3 MET 85 HE3 MET 85 -13.274 0.534 -2.254 650 H GLU 86 H GLU 86 -12.236 4.427 -7.659 651 HA GLU 86 HA GLU 86 -14.412 5.715 -9.176 652 HB2 GLU 86 HB2 GLU 86 -11.482 5.768 -9.912 653 HB3 GLU 86 HB3 GLU 86 -12.794 6.636 -10.701 654 HG2 GLU 86 HG2 GLU 86 -13.135 7.941 -8.643 655 HG3 GLU 86 HG3 GLU 86 -11.779 7.097 -7.902 656 H GLY 87 H GLY 87 -15.481 4.042 -10.027 657 HA2 GLY 87 HA2 GLY 87 -15.918 2.319 -11.473 658 HA3 GLY 87 HA3 GLY 87 -14.301 2.531 -12.122 659 H GLY 88 H GLY 88 -15.097 1.769 -8.768 660 HA2 GLY 88 HA2 GLY 88 -14.832 -0.193 -7.562 661 HA3 GLY 88 HA3 GLY 88 -14.532 -1.041 -9.071 662 H LYS 89 H LYS 89 -12.685 1.774 -8.461 663 HA LYS 89 HA LYS 89 -10.364 0.143 -7.663 664 HB2 LYS 89 HB2 LYS 89 -10.258 2.617 -9.398 665 HB3 LYS 89 HB3 LYS 89 -8.936 1.523 -9.018 666 HG2 LYS 89 HG2 LYS 89 -10.093 -0.262 -10.279 667 HG3 LYS 89 HG3 LYS 89 -11.343 0.904 -10.721 668 HD2 LYS 89 HD2 LYS 89 -9.462 2.327 -11.669 669 HD3 LYS 89 HD3 LYS 89 -8.438 0.901 -11.494 670 HE2 LYS 89 HE2 LYS 89 -10.990 1.040 -13.096 671 HE3 LYS 89 HE3 LYS 89 -9.359 1.088 -13.759 672 HZ1 LYS 89 HZ1 LYS 89 -10.621 -1.172 -12.310 673 HZ2 LYS 89 HZ2 LYS 89 -8.995 -1.135 -12.787 674 HZ3 LYS 89 HZ3 LYS 89 -10.223 -1.110 -13.955 675 H ILE 90 H ILE 90 -9.473 0.764 -5.803 676 HA ILE 90 HA ILE 90 -10.487 3.122 -4.482 677 HB ILE 90 HB ILE 90 -8.266 1.348 -3.460 678 HG12 ILE 90 HG12 ILE 90 -11.250 0.940 -3.427 679 HG13 ILE 90 HG13 ILE 90 -9.990 -0.216 -3.842 680 HG21 ILE 90 HG21 ILE 90 -10.321 3.005 -2.013 681 HG22 ILE 90 HG22 ILE 90 -8.674 3.534 -2.372 682 HG23 ILE 90 HG23 ILE 90 -8.942 2.156 -1.304 683 HD11 ILE 90 HD11 ILE 90 -10.839 -0.894 -1.763 684 HD12 ILE 90 HD12 ILE 90 -10.806 0.749 -1.119 685 HD13 ILE 90 HD13 ILE 90 -9.295 -0.119 -1.409 686 H VAL 91 H VAL 91 -9.684 5.049 -4.863 687 HA VAL 91 HA VAL 91 -6.816 5.290 -5.487 688 HB VAL 91 HB VAL 91 -8.081 5.919 -7.419 689 HG11 VAL 91 HG11 VAL 91 -9.739 7.506 -5.514 690 HG12 VAL 91 HG12 VAL 91 -10.244 6.272 -6.667 691 HG13 VAL 91 HG13 VAL 91 -9.720 7.856 -7.242 692 HG21 VAL 91 HG21 VAL 91 -7.571 8.405 -7.559 693 HG22 VAL 91 HG22 VAL 91 -6.220 7.343 -7.164 694 HG23 VAL 91 HG23 VAL 91 -7.009 8.275 -5.891 695 H ALA 92 H ALA 92 -5.622 6.439 -4.138 696 HA ALA 92 HA ALA 92 -6.984 8.041 -2.081 697 HB1 ALA 92 HB1 ALA 92 -4.151 7.034 -1.978 698 HB2 ALA 92 HB2 ALA 92 -5.526 6.087 -1.409 699 HB3 ALA 92 HB3 ALA 92 -5.146 7.635 -0.650 700 H ASP 93 H ASP 93 -6.451 10.176 -1.788 701 HA ASP 93 HA ASP 93 -4.840 11.367 -3.917 702 HB2 ASP 93 HB2 ASP 93 -7.046 12.285 -3.738 703 HB3 ASP 93 HB3 ASP 93 -6.847 12.566 -2.016 704 H PHE 94 H PHE 94 -2.894 12.054 -3.568 705 HA PHE 94 HA PHE 94 -2.088 13.107 -0.966 706 HB2 PHE 94 HB2 PHE 94 -0.800 10.760 -2.352 707 HB3 PHE 94 HB3 PHE 94 0.062 11.733 -1.164 708 HD1 PHE 94 HD1 PHE 94 -0.868 11.871 1.170 709 HD2 PHE 94 HD2 PHE 94 -2.240 9.059 -1.713 710 HE1 PHE 94 HE1 PHE 94 -1.834 10.504 2.970 711 HE2 PHE 94 HE2 PHE 94 -3.223 7.699 0.084 712 HZ PHE 94 HZ PHE 94 -3.011 8.417 2.428 713 HA PRO 95 HA PRO 95 0.285 15.756 -3.638 714 HB2 PRO 95 HB2 PRO 95 2.220 16.627 -1.937 715 HB3 PRO 95 HB3 PRO 95 0.533 17.155 -1.829 716 HG2 PRO 95 HG2 PRO 95 2.023 15.284 -0.111 717 HG3 PRO 95 HG3 PRO 95 0.638 16.326 0.272 718 HD2 PRO 95 HD2 PRO 95 0.564 13.562 -0.239 719 HD3 PRO 95 HD3 PRO 95 -0.824 14.656 -0.137 720 H ASN 96 H ASN 96 1.574 15.075 -5.228 721 HA ASN 96 HA ASN 96 3.257 14.114 -6.396 722 HB2 ASN 96 HB2 ASN 96 4.506 14.937 -3.883 723 HB3 ASN 96 HB3 ASN 96 5.326 13.602 -4.671 724 HD21 ASN 96 HD21 ASN 96 6.643 14.018 -6.347 725 HD22 ASN 96 HD22 ASN 96 6.793 15.561 -7.111 726 H TYR 97 H TYR 97 1.274 12.546 -4.778 727 HA TYR 97 HA TYR 97 2.511 9.950 -5.209 728 HB2 TYR 97 HB2 TYR 97 2.809 10.748 -2.749 729 HB3 TYR 97 HB3 TYR 97 1.091 10.416 -2.596 730 HD1 TYR 97 HD1 TYR 97 0.379 7.988 -3.462 731 HD2 TYR 97 HD2 TYR 97 4.292 9.083 -2.207 732 HE1 TYR 97 HE1 TYR 97 0.889 5.626 -3.010 733 HE2 TYR 97 HE2 TYR 97 4.811 6.727 -1.749 734 HH TYR 97 HH TYR 97 3.934 4.660 -1.518 735 H HIS 98 H HIS 98 1.143 8.656 -6.170 736 HA HIS 98 HA HIS 98 -1.752 9.105 -5.902 737 HB2 HIS 98 HB2 HIS 98 -0.753 9.893 -8.125 738 HB3 HIS 98 HB3 HIS 98 -0.397 8.203 -8.452 739 HD1 HIS 98 HD1 HIS 98 -3.279 10.596 -8.127 740 HD2 HIS 98 HD2 HIS 98 -2.543 6.660 -9.243 741 HE1 HIS 98 HE1 HIS 98 -5.412 9.777 -9.171 742 HE2 HIS 98 HE2 HIS 98 -4.867 7.474 -10.024 743 H HIS 99 H HIS 99 -2.593 7.362 -4.934 744 HA HIS 99 HA HIS 99 -1.334 4.744 -5.464 745 HB2 HIS 99 HB2 HIS 99 -1.132 5.730 -3.121 746 HB3 HIS 99 HB3 HIS 99 -2.867 5.505 -2.977 747 HD2 HIS 99 HD2 HIS 99 -2.790 2.419 -4.383 748 HE1 HIS 99 HE1 HIS 99 -0.559 1.633 -0.882 749 HE2 HIS 99 HE2 HIS 99 -2.110 0.633 -2.614 750 H THR 100 H THR 100 -2.598 3.593 -6.786 751 HA THR 100 HA THR 100 -5.491 3.581 -6.249 752 HB THR 100 HB THR 100 -5.706 2.896 -8.705 753 HG1 THR 100 HG1 THR 100 -3.914 2.819 -9.824 754 HG21 THR 100 HG21 THR 100 -6.453 5.046 -7.981 755 HG22 THR 100 HG22 THR 100 -5.544 5.268 -9.478 756 HG23 THR 100 HG23 THR 100 -4.801 5.656 -7.924 757 H ALA 101 H ALA 101 -6.349 1.668 -5.772 758 HA ALA 101 HA ALA 101 -4.740 -0.745 -6.287 759 HB1 ALA 101 HB1 ALA 101 -6.749 -0.379 -4.075 760 HB2 ALA 101 HB2 ALA 101 -5.020 -0.092 -3.881 761 HB3 ALA 101 HB3 ALA 101 -5.605 -1.708 -4.277 762 H GLU 102 H GLU 102 -5.721 -2.443 -7.306 763 HA GLU 102 HA GLU 102 -8.594 -2.540 -7.584 764 HB2 GLU 102 HB2 GLU 102 -8.625 -2.472 -10.017 765 HB3 GLU 102 HB3 GLU 102 -7.986 -0.962 -9.368 766 HG2 GLU 102 HG2 GLU 102 -5.684 -1.905 -9.758 767 HG3 GLU 102 HG3 GLU 102 -6.461 -3.214 -10.644 768 H ILE 103 H ILE 103 -9.130 -4.378 -9.244 769 HA ILE 103 HA ILE 103 -7.341 -6.625 -8.624 770 HB ILE 103 HB ILE 103 -10.295 -6.816 -9.224 771 HG12 ILE 103 HG12 ILE 103 -9.803 -5.558 -7.086 772 HG13 ILE 103 HG13 ILE 103 -10.750 -7.030 -6.888 773 HG21 ILE 103 HG21 ILE 103 -8.421 -8.824 -7.999 774 HG22 ILE 103 HG22 ILE 103 -8.922 -8.807 -9.690 775 HG23 ILE 103 HG23 ILE 103 -10.117 -9.074 -8.419 776 HD11 ILE 103 HD11 ILE 103 -9.103 -8.092 -5.743 777 HD12 ILE 103 HD12 ILE 103 -8.720 -6.427 -5.308 778 HD13 ILE 103 HD13 ILE 103 -7.808 -7.235 -6.583 779 H SER 104 H SER 104 -6.202 -7.106 -10.343 780 HA SER 104 HA SER 104 -7.517 -7.102 -12.982 781 HB2 SER 104 HB2 SER 104 -4.670 -6.399 -12.255 782 HB3 SER 104 HB3 SER 104 -5.243 -6.598 -13.911 783 HG SER 104 HG SER 104 -6.512 -4.816 -13.684 784 H GLY 105 H GLY 105 -7.750 -9.106 -13.733 785 HA2 GLY 105 HA2 GLY 105 -7.308 -11.313 -14.217 786 HA3 GLY 105 HA3 GLY 105 -5.624 -10.988 -13.823 787 H GLY 106 H GLY 106 -8.258 -10.435 -11.609 788 HA2 GLY 106 HA2 GLY 106 -8.884 -11.477 -9.653 789 HA3 GLY 106 HA3 GLY 106 -8.035 -12.914 -10.205 790 H LYS 107 H LYS 107 -6.246 -10.001 -10.169 791 HA LYS 107 HA LYS 107 -4.956 -10.773 -7.635 792 HB2 LYS 107 HB2 LYS 107 -3.807 -10.243 -10.317 793 HB3 LYS 107 HB3 LYS 107 -2.931 -9.583 -8.946 794 HG2 LYS 107 HG2 LYS 107 -2.501 -11.697 -8.048 795 HG3 LYS 107 HG3 LYS 107 -3.748 -12.467 -9.029 796 HD2 LYS 107 HD2 LYS 107 -2.441 -12.488 -10.918 797 HD3 LYS 107 HD3 LYS 107 -1.466 -11.115 -10.391 798 HE2 LYS 107 HE2 LYS 107 -0.128 -13.101 -10.285 799 HE3 LYS 107 HE3 LYS 107 -0.473 -12.555 -8.647 800 HZ1 LYS 107 HZ1 LYS 107 -1.611 -14.863 -10.088 801 HZ2 LYS 107 HZ2 LYS 107 -2.366 -14.214 -8.720 802 HZ3 LYS 107 HZ3 LYS 107 -0.794 -14.838 -8.602 803 H LEU 108 H LEU 108 -4.043 -9.106 -6.418 804 HA LEU 108 HA LEU 108 -5.379 -6.530 -6.740 805 HB2 LEU 108 HB2 LEU 108 -5.373 -7.712 -4.541 806 HB3 LEU 108 HB3 LEU 108 -3.628 -7.601 -4.503 807 HG LEU 108 HG LEU 108 -5.057 -5.948 -3.098 808 HD11 LEU 108 HD11 LEU 108 -2.633 -5.847 -3.326 809 HD12 LEU 108 HD12 LEU 108 -3.355 -4.238 -3.304 810 HD13 LEU 108 HD13 LEU 108 -2.809 -4.938 -4.827 811 HD21 LEU 108 HD21 LEU 108 -6.504 -5.253 -4.983 812 HD22 LEU 108 HD22 LEU 108 -5.103 -4.501 -5.743 813 HD23 LEU 108 HD23 LEU 108 -5.692 -3.907 -4.190 814 H VAL 109 H VAL 109 -4.393 -5.002 -7.855 815 HA VAL 109 HA VAL 109 -1.458 -4.882 -7.714 816 HB VAL 109 HB VAL 109 -1.855 -5.626 -9.906 817 HG11 VAL 109 HG11 VAL 109 -3.985 -3.511 -10.190 818 HG12 VAL 109 HG12 VAL 109 -4.269 -5.235 -9.954 819 HG13 VAL 109 HG13 VAL 109 -3.486 -4.663 -11.429 820 HG21 VAL 109 HG21 VAL 109 -1.491 -2.635 -9.910 821 HG22 VAL 109 HG22 VAL 109 -1.282 -3.643 -11.342 822 HG23 VAL 109 HG23 VAL 109 -0.242 -3.880 -9.936 823 H GLU 110 H GLU 110 -0.766 -3.136 -6.794 824 HA GLU 110 HA GLU 110 -2.478 -0.744 -6.772 825 HB2 GLU 110 HB2 GLU 110 -0.227 -1.490 -4.894 826 HB3 GLU 110 HB3 GLU 110 -1.219 -0.046 -4.780 827 HG2 GLU 110 HG2 GLU 110 -3.153 -1.331 -4.245 828 HG3 GLU 110 HG3 GLU 110 -2.303 -2.842 -4.577 829 H ILE 111 H ILE 111 -1.837 0.954 -7.869 830 HA ILE 111 HA ILE 111 0.953 1.055 -8.791 831 HB ILE 111 HB ILE 111 -1.461 2.482 -9.935 832 HG12 ILE 111 HG12 ILE 111 -0.483 0.837 -11.897 833 HG13 ILE 111 HG13 ILE 111 -0.231 -0.145 -10.460 834 HG21 ILE 111 HG21 ILE 111 0.793 3.618 -10.153 835 HG22 ILE 111 HG22 ILE 111 -0.053 3.278 -11.663 836 HG23 ILE 111 HG23 ILE 111 1.280 2.244 -11.150 837 HD11 ILE 111 HD11 ILE 111 -2.336 -0.722 -11.383 838 HD12 ILE 111 HD12 ILE 111 -2.821 0.970 -11.485 839 HD13 ILE 111 HD13 ILE 111 -2.641 0.201 -9.910 840 H SER 112 H SER 112 2.231 2.512 -7.907 841 HA SER 112 HA SER 112 1.021 4.798 -6.486 842 HB2 SER 112 HB2 SER 112 3.663 3.842 -5.559 843 HB3 SER 112 HB3 SER 112 2.272 4.396 -4.624 844 HG SER 112 HG SER 112 1.584 2.129 -5.785 845 H THR 113 H THR 113 1.463 6.565 -7.616 846 HA THR 113 HA THR 113 4.000 6.729 -9.069 847 HB THR 113 HB THR 113 2.022 8.918 -9.313 848 HG1 THR 113 HG1 THR 113 1.537 6.269 -10.272 849 HG21 THR 113 HG21 THR 113 2.584 8.481 -11.757 850 HG22 THR 113 HG22 THR 113 3.780 7.322 -11.165 851 HG23 THR 113 HG23 THR 113 3.909 9.025 -10.727 852 H SER 114 H SER 114 5.557 8.166 -8.560 853 HA SER 114 HA SER 114 4.989 10.374 -6.757 854 HB2 SER 114 HB2 SER 114 6.952 8.173 -6.070 855 HB3 SER 114 HB3 SER 114 6.897 9.736 -5.256 856 HG SER 114 HG SER 114 4.432 8.736 -5.334 857 H SER 115 H SER 115 5.767 12.022 -7.817 858 HA SER 115 HA SER 115 7.127 13.416 -8.958 859 HB2 SER 115 HB2 SER 115 9.358 11.605 -8.011 860 HB3 SER 115 HB3 SER 115 9.501 13.291 -8.516 861 HG SER 115 HG SER 115 9.337 12.773 -6.143 862 H GLY 116 H GLY 116 5.964 11.166 -10.367 863 HA2 GLY 116 HA2 GLY 116 6.092 10.911 -12.736 864 HA3 GLY 116 HA3 GLY 116 7.822 11.189 -12.640 865 H VAL 117 H VAL 117 8.072 9.263 -10.360 866 HA VAL 117 HA VAL 117 8.466 6.936 -12.008 867 HB VAL 117 HB VAL 117 8.869 7.247 -9.026 868 HG11 VAL 117 HG11 VAL 117 8.692 4.929 -9.503 869 HG12 VAL 117 HG12 VAL 117 10.417 5.282 -9.383 870 HG13 VAL 117 HG13 VAL 117 9.664 5.085 -10.965 871 HG21 VAL 117 HG21 VAL 117 10.226 8.757 -10.493 872 HG22 VAL 117 HG22 VAL 117 10.934 7.312 -11.214 873 HG23 VAL 117 HG23 VAL 117 11.167 7.646 -9.499 874 H VAL 118 H VAL 118 7.115 5.315 -12.303 875 HA VAL 118 HA VAL 118 4.713 5.160 -10.639 876 HB VAL 118 HB VAL 118 5.273 3.865 -13.314 877 HG11 VAL 118 HG11 VAL 118 2.800 3.495 -13.298 878 HG12 VAL 118 HG12 VAL 118 2.806 3.969 -11.598 879 HG13 VAL 118 HG13 VAL 118 3.700 2.541 -12.120 880 HG21 VAL 118 HG21 VAL 118 3.383 6.127 -12.755 881 HG22 VAL 118 HG22 VAL 118 3.962 5.543 -14.315 882 HG23 VAL 118 HG23 VAL 118 5.058 6.400 -13.229 883 H TYR 119 H TYR 119 4.946 3.851 -8.981 884 HA TYR 119 HA TYR 119 6.508 1.384 -9.245 885 HB2 TYR 119 HB2 TYR 119 7.058 2.630 -7.284 886 HB3 TYR 119 HB3 TYR 119 5.367 2.868 -6.879 887 HD1 TYR 119 HD1 TYR 119 7.672 -0.016 -7.509 888 HD2 TYR 119 HD2 TYR 119 4.585 1.648 -5.100 889 HE1 TYR 119 HE1 TYR 119 7.732 -2.006 -6.067 890 HE2 TYR 119 HE2 TYR 119 4.638 -0.335 -3.650 891 HH TYR 119 HH TYR 119 7.015 -2.899 -4.118 892 H LYS 120 H LYS 120 5.547 -0.541 -9.450 893 HA LYS 120 HA LYS 120 2.666 -0.677 -8.887 894 HB2 LYS 120 HB2 LYS 120 4.216 -1.873 -11.178 895 HB3 LYS 120 HB3 LYS 120 2.565 -2.322 -10.783 896 HG2 LYS 120 HG2 LYS 120 1.715 -0.264 -11.414 897 HG3 LYS 120 HG3 LYS 120 3.276 0.540 -11.241 898 HD2 LYS 120 HD2 LYS 120 2.830 0.347 -13.575 899 HD3 LYS 120 HD3 LYS 120 4.087 -0.824 -13.179 900 HE2 LYS 120 HE2 LYS 120 1.851 -2.311 -12.803 901 HE3 LYS 120 HE3 LYS 120 1.334 -1.245 -14.107 902 HZ1 LYS 120 HZ1 LYS 120 2.591 -3.492 -14.578 903 HZ2 LYS 120 HZ2 LYS 120 3.960 -2.519 -14.348 904 HZ3 LYS 120 HZ3 LYS 120 2.829 -2.131 -15.550 905 H ARG 121 H ARG 121 1.903 -2.513 -7.937 906 HA ARG 121 HA ARG 121 3.804 -4.663 -7.327 907 HB2 ARG 121 HB2 ARG 121 3.052 -4.683 -4.970 908 HB3 ARG 121 HB3 ARG 121 3.869 -3.185 -5.390 909 HG2 ARG 121 HG2 ARG 121 1.653 -2.122 -5.694 910 HG3 ARG 121 HG3 ARG 121 0.903 -3.608 -5.113 911 HD2 ARG 121 HD2 ARG 121 1.057 -2.722 -3.077 912 HD3 ARG 121 HD3 ARG 121 2.785 -3.050 -3.181 913 HE ARG 121 HE ARG 121 2.851 -0.700 -4.226 914 HH11 ARG 121 HH11 ARG 121 0.504 -1.721 -1.805 915 HH12 ARG 121 HH12 ARG 121 0.407 -0.087 -1.052 916 HH21 ARG 121 HH21 ARG 121 2.703 1.413 -3.331 917 HH22 ARG 121 HH22 ARG 121 1.635 1.664 -1.903 918 H THR 122 H THR 122 2.941 -6.630 -7.372 919 HA THR 122 HA THR 122 0.036 -6.852 -7.745 920 HB THR 122 HB THR 122 2.168 -8.695 -8.831 921 HG1 THR 122 HG1 THR 122 0.904 -6.410 -9.918 922 HG21 THR 122 HG21 THR 122 -0.053 -9.700 -8.486 923 HG22 THR 122 HG22 THR 122 0.373 -9.595 -10.194 924 HG23 THR 122 HG23 THR 122 -0.763 -8.442 -9.496 925 H SER 123 H SER 123 -0.980 -7.929 -6.200 926 HA SER 123 HA SER 123 0.522 -9.924 -4.638 927 HB2 SER 123 HB2 SER 123 -1.705 -8.213 -3.527 928 HB3 SER 123 HB3 SER 123 -0.542 -9.198 -2.638 929 HG SER 123 HG SER 123 -0.332 -6.660 -3.197 930 H LYS 124 H LYS 124 -0.506 -11.831 -4.212 931 HA LYS 124 HA LYS 124 -2.885 -12.371 -5.792 932 HB2 LYS 124 HB2 LYS 124 -2.469 -14.730 -5.208 933 HB3 LYS 124 HB3 LYS 124 -1.053 -13.969 -5.921 934 HG2 LYS 124 HG2 LYS 124 -0.185 -13.621 -3.600 935 HG3 LYS 124 HG3 LYS 124 -1.526 -14.610 -3.025 936 HD2 LYS 124 HD2 LYS 124 -0.693 -16.532 -3.992 937 HD3 LYS 124 HD3 LYS 124 0.260 -15.645 -5.183 938 HE2 LYS 124 HE2 LYS 124 1.503 -14.780 -3.016 939 HE3 LYS 124 HE3 LYS 124 0.877 -16.286 -2.344 940 HZ1 LYS 124 HZ1 LYS 124 1.987 -17.521 -4.036 941 HZ2 LYS 124 HZ2 LYS 124 3.114 -16.476 -3.331 942 HZ3 LYS 124 HZ3 LYS 124 2.460 -16.112 -4.853 943 H LYS 125 H LYS 125 -4.745 -13.424 -4.892 944 HA LYS 125 HA LYS 125 -5.281 -12.481 -2.172 945 HB2 LYS 125 HB2 LYS 125 -6.770 -12.041 -4.333 946 HB3 LYS 125 HB3 LYS 125 -7.437 -13.610 -3.896 947 HG2 LYS 125 HG2 LYS 125 -7.299 -11.232 -2.048 948 HG3 LYS 125 HG3 LYS 125 -8.720 -11.712 -2.972 949 HD2 LYS 125 HD2 LYS 125 -7.513 -13.826 -1.317 950 HD3 LYS 125 HD3 LYS 125 -8.230 -12.487 -0.427 951 HE2 LYS 125 HE2 LYS 125 -9.595 -14.172 -2.520 952 HE3 LYS 125 HE3 LYS 125 -9.849 -14.271 -0.776 953 HZ1 LYS 125 HZ1 LYS 125 -10.560 -12.029 -2.581 954 HZ2 LYS 125 HZ2 LYS 125 -10.565 -11.884 -0.894 955 HZ3 LYS 125 HZ3 LYS 125 -11.600 -12.985 -1.656 956 H ILE 126 H ILE 126 -5.037 -13.882 -0.621 957 HA ILE 126 HA ILE 126 -5.828 -16.682 -1.092 958 HB ILE 126 HB ILE 126 -3.864 -16.294 1.055 959 HG12 ILE 126 HG12 ILE 126 -2.050 -16.391 -0.932 960 HG13 ILE 126 HG13 ILE 126 -3.256 -15.374 -1.708 961 HG21 ILE 126 HG21 ILE 126 -3.819 -18.137 -1.324 962 HG22 ILE 126 HG22 ILE 126 -4.727 -18.465 0.154 963 HG23 ILE 126 HG23 ILE 126 -2.970 -18.335 0.209 964 HD11 ILE 126 HD11 ILE 126 -3.158 -13.860 0.236 965 HD12 ILE 126 HD12 ILE 126 -1.633 -14.000 -0.641 966 HD13 ILE 126 HD13 ILE 126 -1.850 -14.847 0.890 967 H ALA 127 H ALA 127 -6.632 -17.784 0.789 968 HA ALA 127 HA ALA 127 -7.270 -16.245 3.147 969 HB1 ALA 127 HB1 ALA 127 -9.075 -15.572 1.614 970 HB2 ALA 127 HB2 ALA 127 -9.687 -16.515 2.973 971 HB3 ALA 127 HB3 ALA 127 -9.505 -17.267 1.387 972 H11 CHO 200 H11 CHO 200 6.372 -0.137 -1.322 973 H12 CHO 200 H12 CHO 200 6.934 -1.239 -0.029 974 H21 CHO 200 H21 CHO 200 5.022 -0.609 1.370 975 H22 CHO 200 H22 CHO 200 4.466 -1.216 -0.214 976 H3 CHO 200 H3 CHO 200 4.174 1.102 -1.014 977 HO3 CHO 200 HO3 CHO 200 2.412 0.070 0.109 978 H41 CHO 200 H41 CHO 200 5.006 1.848 1.829 979 H42 CHO 200 H42 CHO 200 4.441 2.980 0.576 980 H5 CHO 200 H5 CHO 200 6.348 2.327 -0.866 981 H61 CHO 200 H61 CHO 200 6.525 4.233 0.742 982 H62 CHO 200 H62 CHO 200 8.094 3.454 0.431 983 H7 CHO 200 H7 CHO 200 7.816 3.859 2.836 984 HO7 CHO 200 HO7 CHO 200 5.796 1.959 3.201 985 H8 CHO 200 H8 CHO 200 9.029 1.853 2.152 986 H9 CHO 200 H9 CHO 200 6.313 0.481 2.351 987 H111 CHO 200 H111 CHO 200 9.018 -0.710 1.677 988 H112 CHO 200 H112 CHO 200 7.436 -1.558 1.764 989 H121 CHO 200 H121 CHO 200 8.828 -1.926 3.797 990 H122 CHO 200 H122 CHO 200 7.286 -1.123 4.154 991 H14 CHO 200 H14 CHO 200 7.148 1.415 4.438 992 H151 CHO 200 H151 CHO 200 8.471 3.340 5.094 993 H152 CHO 200 H152 CHO 200 9.909 2.782 4.314 994 H161 CHO 200 H161 CHO 200 8.751 1.982 6.963 995 H162 CHO 200 H162 CHO 200 10.410 1.799 6.433 996 H17 CHO 200 H17 CHO 200 8.165 -0.184 6.253 997 H181 CHO 200 H181 CHO 200 10.669 1.397 3.652 998 H182 CHO 200 H182 CHO 200 10.380 -0.024 2.619 999 H183 CHO 200 H183 CHO 200 11.127 -0.226 4.221 1000 H191 CHO 200 H191 CHO 200 8.826 2.031 -0.272 1001 H192 CHO 200 H192 CHO 200 8.539 0.549 -1.215 1002 H193 CHO 200 H193 CHO 200 9.282 0.447 0.398 1003 H20 CHO 200 H20 CHO 200 11.112 -0.488 5.923 1004 H211 CHO 200 H211 CHO 200 9.725 -2.803 6.889 1005 H212 CHO 200 H212 CHO 200 10.692 -2.613 5.406 1006 H213 CHO 200 H213 CHO 200 8.949 -2.254 5.384 1007 H221 CHO 200 H221 CHO 200 9.262 -0.824 8.317 1008 H222 CHO 200 H222 CHO 200 10.538 0.415 8.111 1009 H231 CHO 200 H231 CHO 200 12.220 -1.430 7.944 1010 H232 CHO 200 H232 CHO 200 10.906 -2.584 8.349 1011 HN CHO 200 HN CHO 200 11.835 -3.305 10.305 1012 H261 CHO 200 H261 CHO 200 12.307 -1.276 12.390 1013 H262 CHO 200 H262 CHO 200 12.815 -2.987 12.403 1014 H11 CHO 201 H11 CHO 201 -6.270 4.314 0.392 1015 H12 CHO 201 H12 CHO 201 -4.833 5.054 -0.367 1016 H21 CHO 201 H21 CHO 201 -3.846 2.832 -0.711 1017 H22 CHO 201 H22 CHO 201 -5.463 2.925 -1.465 1018 H3 CHO 201 H3 CHO 201 -6.451 1.781 0.478 1019 HO3 CHO 201 HO3 CHO 201 -5.582 0.492 -1.264 1020 H41 CHO 201 H41 CHO 201 -3.568 1.621 1.473 1021 H42 CHO 201 H42 CHO 201 -4.984 0.863 2.244 1022 H5 CHO 201 H5 CHO 201 -6.005 3.096 2.556 1023 H61 CHO 201 H61 CHO 201 -4.541 2.094 4.309 1024 H62 CHO 201 H62 CHO 201 -4.503 3.875 4.322 1025 H7 CHO 201 H7 CHO 201 -2.233 3.009 4.534 1026 HO7 CHO 201 HO7 CHO 201 -2.568 0.962 3.485 1027 H8 CHO 201 H8 CHO 201 -2.508 5.055 3.271 1028 H9 CHO 201 H9 CHO 201 -2.722 3.227 0.836 1029 H111 CHO 201 H111 CHO 201 -2.802 6.252 0.961 1030 H112 CHO 201 H112 CHO 201 -2.927 5.202 -0.495 1031 H121 CHO 201 H121 CHO 201 -0.661 6.218 -0.224 1032 H122 CHO 201 H122 CHO 201 -0.637 4.445 -0.204 1033 H14 CHO 201 H14 CHO 201 -0.603 3.136 1.995 1034 H151 CHO 201 H151 CHO 201 0.098 3.371 4.353 1035 H152 CHO 201 H152 CHO 201 -0.191 5.059 4.404 1036 H161 CHO 201 H161 CHO 201 1.966 3.508 2.875 1037 H162 CHO 201 H162 CHO 201 2.165 5.033 3.705 1038 H17 CHO 201 H17 CHO 201 1.555 4.639 0.889 1039 H181 CHO 201 H181 CHO 201 -0.770 7.468 1.847 1040 H182 CHO 201 H182 CHO 201 -0.073 6.776 3.332 1041 H183 CHO 201 H183 CHO 201 -1.769 6.446 2.908 1042 H191 CHO 201 H191 CHO 201 -4.773 6.354 1.659 1043 H192 CHO 201 H192 CHO 201 -4.098 5.650 3.148 1044 H193 CHO 201 H193 CHO 201 -5.820 5.426 2.759 1045 H20 CHO 201 H20 CHO 201 1.591 7.148 2.529 1046 H211 CHO 201 H211 CHO 201 1.262 6.586 -0.375 1047 H212 CHO 201 H212 CHO 201 2.380 7.898 0.069 1048 H213 CHO 201 H213 CHO 201 0.685 7.955 0.605 1049 H221 CHO 201 H221 CHO 201 3.755 5.758 0.907 1050 H222 CHO 201 H222 CHO 201 3.655 5.835 2.695 1051 H231 CHO 201 H231 CHO 201 3.795 8.303 2.578 1052 H232 CHO 201 H232 CHO 201 3.974 8.183 0.800 1053 HN CHO 201 HN CHO 201 5.363 5.781 3.004 1054 H261 CHO 201 H261 CHO 201 8.069 6.908 2.546 1055 H262 CHO 201 H262 CHO 201 7.698 5.186 2.293 Start of MODEL 14 1 H ALA 1 H ALA 1 -14.909 -7.318 -3.708 2 HA ALA 1 HA ALA 1 -13.867 -9.433 -3.966 3 HB1 ALA 1 HB1 ALA 1 -14.065 -9.208 -6.549 4 HB2 ALA 1 HB2 ALA 1 -12.741 -10.137 -5.848 5 HB3 ALA 1 HB3 ALA 1 -12.458 -8.495 -6.427 6 H PHE 2 H PHE 2 -13.333 -6.585 -3.001 7 HA PHE 2 HA PHE 2 -10.443 -6.430 -3.116 8 HB2 PHE 2 HB2 PHE 2 -12.599 -4.720 -1.935 9 HB3 PHE 2 HB3 PHE 2 -10.934 -4.508 -1.412 10 HD1 PHE 2 HD1 PHE 2 -9.308 -4.666 -3.697 11 HD2 PHE 2 HD2 PHE 2 -13.247 -3.083 -3.392 12 HE1 PHE 2 HE1 PHE 2 -8.871 -3.214 -5.633 13 HE2 PHE 2 HE2 PHE 2 -12.818 -1.635 -5.336 14 HZ PHE 2 HZ PHE 2 -10.628 -1.700 -6.457 15 H THR 3 H THR 3 -12.923 -7.500 -0.889 16 HA THR 3 HA THR 3 -11.391 -7.533 1.462 17 HB THR 3 HB THR 3 -13.436 -9.650 1.040 18 HG1 THR 3 HG1 THR 3 -15.096 -8.112 1.203 19 HG21 THR 3 HG21 THR 3 -12.272 -9.254 3.201 20 HG22 THR 3 HG22 THR 3 -14.025 -9.074 3.305 21 HG23 THR 3 HG23 THR 3 -12.991 -7.645 3.243 22 H GLY 4 H GLY 4 -10.118 -9.036 2.429 23 HA2 GLY 4 HA2 GLY 4 -9.658 -11.549 2.421 24 HA3 GLY 4 HA3 GLY 4 -9.298 -11.286 0.723 25 H LYS 5 H LYS 5 -7.389 -12.417 2.177 26 HA LYS 5 HA LYS 5 -5.523 -10.319 2.972 27 HB2 LYS 5 HB2 LYS 5 -4.483 -11.860 4.267 28 HB3 LYS 5 HB3 LYS 5 -5.966 -12.779 4.064 29 HG2 LYS 5 HG2 LYS 5 -4.891 -13.858 2.059 30 HG3 LYS 5 HG3 LYS 5 -3.386 -13.087 2.554 31 HD2 LYS 5 HD2 LYS 5 -4.917 -14.759 4.500 32 HD3 LYS 5 HD3 LYS 5 -3.903 -15.530 3.284 33 HE2 LYS 5 HE2 LYS 5 -2.294 -13.531 4.323 34 HE3 LYS 5 HE3 LYS 5 -3.164 -14.146 5.728 35 HZ1 LYS 5 HZ1 LYS 5 -2.483 -16.428 4.876 36 HZ2 LYS 5 HZ2 LYS 5 -1.274 -15.472 5.570 37 HZ3 LYS 5 HZ3 LYS 5 -1.371 -15.614 3.883 38 H TYR 6 H TYR 6 -3.603 -9.952 1.910 39 HA TYR 6 HA TYR 6 -3.224 -11.381 -0.633 40 HB2 TYR 6 HB2 TYR 6 -2.935 -8.396 -0.211 41 HB3 TYR 6 HB3 TYR 6 -2.540 -9.264 -1.690 42 HD1 TYR 6 HD1 TYR 6 -4.340 -10.219 -3.083 43 HD2 TYR 6 HD2 TYR 6 -5.205 -7.882 0.362 44 HE1 TYR 6 HE1 TYR 6 -6.658 -9.953 -3.852 45 HE2 TYR 6 HE2 TYR 6 -7.526 -7.610 -0.399 46 HH TYR 6 HH TYR 6 -8.961 -7.934 -2.082 47 H GLU 7 H GLU 7 -1.185 -11.946 -1.096 48 HA GLU 7 HA GLU 7 0.894 -11.018 0.765 49 HB2 GLU 7 HB2 GLU 7 0.305 -13.772 -0.279 50 HB3 GLU 7 HB3 GLU 7 1.927 -13.346 0.268 51 HG2 GLU 7 HG2 GLU 7 1.078 -12.800 2.470 52 HG3 GLU 7 HG3 GLU 7 -0.576 -13.092 1.934 53 H PHE 8 H PHE 8 2.884 -10.615 -0.027 54 HA PHE 8 HA PHE 8 3.179 -9.406 -2.455 55 HB2 PHE 8 HB2 PHE 8 4.722 -9.613 -0.295 56 HB3 PHE 8 HB3 PHE 8 5.576 -10.758 -1.325 57 HD1 PHE 8 HD1 PHE 8 6.101 -9.874 -3.752 58 HD2 PHE 8 HD2 PHE 8 5.308 -7.399 -0.377 59 HE1 PHE 8 HE1 PHE 8 7.260 -8.007 -4.855 60 HE2 PHE 8 HE2 PHE 8 6.474 -5.530 -1.470 61 HZ PHE 8 HZ PHE 8 7.454 -5.831 -3.706 62 H GLU 9 H GLU 9 3.017 -10.162 -4.433 63 HA GLU 9 HA GLU 9 4.009 -12.871 -5.006 64 HB2 GLU 9 HB2 GLU 9 1.612 -12.536 -5.470 65 HB3 GLU 9 HB3 GLU 9 2.012 -11.200 -6.543 66 HG2 GLU 9 HG2 GLU 9 1.859 -12.782 -8.124 67 HG3 GLU 9 HG3 GLU 9 3.518 -13.126 -7.641 68 H SER 10 H SER 10 3.787 -9.586 -6.335 69 HA SER 10 HA SER 10 6.457 -9.811 -7.428 70 HB2 SER 10 HB2 SER 10 4.079 -9.322 -9.229 71 HB3 SER 10 HB3 SER 10 5.758 -9.204 -9.714 72 HG SER 10 HG SER 10 5.530 -11.557 -8.614 73 H ASP 11 H ASP 11 7.183 -7.716 -8.377 74 HA ASP 11 HA ASP 11 5.630 -5.380 -7.660 75 HB2 ASP 11 HB2 ASP 11 7.207 -4.402 -6.201 76 HB3 ASP 11 HB3 ASP 11 7.051 -6.063 -5.640 77 H GLU 12 H GLU 12 6.662 -3.399 -8.482 78 HA GLU 12 HA GLU 12 8.683 -3.784 -10.531 79 HB2 GLU 12 HB2 GLU 12 6.814 -4.252 -11.866 80 HB3 GLU 12 HB3 GLU 12 5.836 -3.063 -11.042 81 HG2 GLU 12 HG2 GLU 12 6.762 -1.285 -12.211 82 HG3 GLU 12 HG3 GLU 12 8.171 -2.226 -12.697 83 H ASN 13 H ASN 13 9.856 -2.031 -10.889 84 HA ASN 13 HA ASN 13 10.838 -0.006 -10.605 85 HB2 ASN 13 HB2 ASN 13 7.968 0.603 -10.790 86 HB3 ASN 13 HB3 ASN 13 8.918 1.843 -9.979 87 HD21 ASN 13 HD21 ASN 13 7.556 2.014 -12.487 88 HD22 ASN 13 HD22 ASN 13 8.745 2.365 -13.697 89 H TYR 14 H TYR 14 10.944 -1.610 -8.364 90 HA TYR 14 HA TYR 14 10.038 -0.251 -6.029 91 HB2 TYR 14 HB2 TYR 14 10.497 -2.688 -6.082 92 HB3 TYR 14 HB3 TYR 14 12.214 -2.339 -6.242 93 HD1 TYR 14 HD1 TYR 14 9.316 -2.154 -3.979 94 HD2 TYR 14 HD2 TYR 14 13.518 -1.636 -4.351 95 HE1 TYR 14 HE1 TYR 14 9.502 -1.996 -1.535 96 HE2 TYR 14 HE2 TYR 14 13.717 -1.472 -1.906 97 HH TYR 14 HH TYR 14 11.400 -2.438 0.197 98 H ASP 15 H ASP 15 13.320 -0.740 -7.326 99 HA ASP 15 HA ASP 15 14.646 0.898 -5.481 100 HB2 ASP 15 HB2 ASP 15 15.504 0.436 -8.331 101 HB3 ASP 15 HB3 ASP 15 16.532 0.880 -6.980 102 H ASP 16 H ASP 16 13.274 1.664 -8.634 103 HA ASP 16 HA ASP 16 14.205 4.313 -8.816 104 HB2 ASP 16 HB2 ASP 16 12.588 2.590 -10.327 105 HB3 ASP 16 HB3 ASP 16 11.583 3.990 -9.978 106 H PHE 17 H PHE 17 11.312 2.893 -7.428 107 HA PHE 17 HA PHE 17 9.956 5.277 -6.778 108 HB2 PHE 17 HB2 PHE 17 8.999 2.944 -6.911 109 HB3 PHE 17 HB3 PHE 17 9.763 2.616 -5.361 110 HD1 PHE 17 HD1 PHE 17 7.597 5.269 -6.861 111 HD2 PHE 17 HD2 PHE 17 8.391 2.717 -3.543 112 HE1 PHE 17 HE1 PHE 17 5.609 6.146 -5.710 113 HE2 PHE 17 HE2 PHE 17 6.399 3.589 -2.393 114 HZ PHE 17 HZ PHE 17 5.009 5.305 -3.481 115 H VAL 18 H VAL 18 11.832 3.044 -4.742 116 HA VAL 18 HA VAL 18 11.674 4.560 -2.404 117 HB VAL 18 HB VAL 18 13.622 3.252 -1.607 118 HG11 VAL 18 HG11 VAL 18 11.531 1.612 -3.036 119 HG12 VAL 18 HG12 VAL 18 11.312 2.398 -1.472 120 HG13 VAL 18 HG13 VAL 18 12.500 1.105 -1.652 121 HG21 VAL 18 HG21 VAL 18 14.935 3.041 -3.592 122 HG22 VAL 18 HG22 VAL 18 13.620 2.236 -4.444 123 HG23 VAL 18 HG23 VAL 18 14.437 1.418 -3.109 124 H LYS 19 H LYS 19 14.076 4.640 -5.020 125 HA LYS 19 HA LYS 19 15.784 6.479 -3.660 126 HB2 LYS 19 HB2 LYS 19 15.572 5.472 -6.472 127 HB3 LYS 19 HB3 LYS 19 16.621 6.839 -6.113 128 HG2 LYS 19 HG2 LYS 19 16.789 4.180 -4.714 129 HG3 LYS 19 HG3 LYS 19 17.764 4.628 -6.113 130 HD2 LYS 19 HD2 LYS 19 19.134 5.927 -4.890 131 HD3 LYS 19 HD3 LYS 19 17.807 6.600 -3.944 132 HE2 LYS 19 HE2 LYS 19 17.744 4.431 -2.673 133 HE3 LYS 19 HE3 LYS 19 19.219 3.970 -3.521 134 HZ1 LYS 19 HZ1 LYS 19 19.465 5.034 -1.239 135 HZ2 LYS 19 HZ2 LYS 19 19.043 6.489 -1.986 136 HZ3 LYS 19 HZ3 LYS 19 20.429 5.657 -2.483 137 H LYS 20 H LYS 20 12.918 6.840 -5.574 138 HA LYS 20 HA LYS 20 13.384 9.623 -6.162 139 HB2 LYS 20 HB2 LYS 20 12.057 8.052 -7.619 140 HB3 LYS 20 HB3 LYS 20 10.792 8.105 -6.403 141 HG2 LYS 20 HG2 LYS 20 10.263 9.627 -8.188 142 HG3 LYS 20 HG3 LYS 20 10.611 10.543 -6.718 143 HD2 LYS 20 HD2 LYS 20 11.668 11.618 -8.613 144 HD3 LYS 20 HD3 LYS 20 12.911 10.939 -7.564 145 HE2 LYS 20 HE2 LYS 20 12.910 8.921 -9.074 146 HE3 LYS 20 HE3 LYS 20 11.893 9.848 -10.174 147 HZ1 LYS 20 HZ1 LYS 20 13.597 11.257 -10.705 148 HZ2 LYS 20 HZ2 LYS 20 14.471 9.833 -10.440 149 HZ3 LYS 20 HZ3 LYS 20 14.415 11.026 -9.245 150 H ILE 21 H ILE 21 11.209 7.809 -4.023 151 HA ILE 21 HA ILE 21 9.965 10.113 -2.928 152 HB ILE 21 HB ILE 21 9.068 8.603 -1.212 153 HG12 ILE 21 HG12 ILE 21 10.566 6.360 -2.562 154 HG13 ILE 21 HG13 ILE 21 11.214 7.185 -1.146 155 HG21 ILE 21 HG21 ILE 21 8.034 6.934 -2.887 156 HG22 ILE 21 HG22 ILE 21 8.960 7.822 -4.099 157 HG23 ILE 21 HG23 ILE 21 7.752 8.658 -3.118 158 HD11 ILE 21 HD11 ILE 21 10.053 5.075 -0.625 159 HD12 ILE 21 HD12 ILE 21 8.556 5.776 -1.240 160 HD13 ILE 21 HD13 ILE 21 9.342 6.473 0.175 161 H GLY 22 H GLY 22 12.969 8.606 -2.315 162 HA2 GLY 22 HA2 GLY 22 14.682 9.550 -1.025 163 HA3 GLY 22 HA3 GLY 22 13.491 10.544 -0.204 164 H LEU 23 H LEU 23 13.399 7.047 -0.649 165 HA LEU 23 HA LEU 23 12.943 6.667 2.156 166 HB2 LEU 23 HB2 LEU 23 11.996 5.306 0.194 167 HB3 LEU 23 HB3 LEU 23 13.559 4.507 0.152 168 HG LEU 23 HG LEU 23 13.184 3.840 2.549 169 HD11 LEU 23 HD11 LEU 23 11.453 5.584 2.986 170 HD12 LEU 23 HD12 LEU 23 10.998 3.954 3.478 171 HD13 LEU 23 HD13 LEU 23 10.342 4.645 1.993 172 HD21 LEU 23 HD21 LEU 23 12.479 2.591 0.278 173 HD22 LEU 23 HD22 LEU 23 10.910 2.684 1.073 174 HD23 LEU 23 HD23 LEU 23 12.263 1.894 1.878 175 HA PRO 24 HA PRO 24 17.254 6.306 3.243 176 HB2 PRO 24 HB2 PRO 24 16.870 5.191 5.715 177 HB3 PRO 24 HB3 PRO 24 16.669 6.917 5.384 178 HG2 PRO 24 HG2 PRO 24 14.596 4.797 5.613 179 HG3 PRO 24 HG3 PRO 24 14.578 6.464 6.224 180 HD2 PRO 24 HD2 PRO 24 13.266 5.740 3.990 181 HD3 PRO 24 HD3 PRO 24 13.993 7.347 4.188 182 H ALA 25 H ALA 25 18.791 4.711 3.168 183 HA ALA 25 HA ALA 25 18.233 2.250 2.022 184 HB1 ALA 25 HB1 ALA 25 20.636 2.673 3.760 185 HB2 ALA 25 HB2 ALA 25 20.466 3.490 2.205 186 HB3 ALA 25 HB3 ALA 25 20.492 1.728 2.281 187 H ASP 26 H ASP 26 18.431 3.172 5.386 188 HA ASP 26 HA ASP 26 18.609 0.691 6.613 189 HB2 ASP 26 HB2 ASP 26 17.075 3.109 7.588 190 HB3 ASP 26 HB3 ASP 26 17.623 1.763 8.582 191 H LYS 27 H LYS 27 15.759 2.423 5.429 192 HA LYS 27 HA LYS 27 13.998 0.303 6.374 193 HB2 LYS 27 HB2 LYS 27 13.310 2.765 4.770 194 HB3 LYS 27 HB3 LYS 27 12.179 1.701 5.588 195 HG2 LYS 27 HG2 LYS 27 14.255 3.403 6.947 196 HG3 LYS 27 HG3 LYS 27 12.541 3.787 6.812 197 HD2 LYS 27 HD2 LYS 27 12.031 1.692 8.038 198 HD3 LYS 27 HD3 LYS 27 13.765 1.454 8.272 199 HE2 LYS 27 HE2 LYS 27 13.822 3.717 9.368 200 HE3 LYS 27 HE3 LYS 27 12.061 3.709 9.311 201 HZ1 LYS 27 HZ1 LYS 27 13.773 1.747 10.728 202 HZ2 LYS 27 HZ2 LYS 27 12.092 1.659 10.624 203 HZ3 LYS 27 HZ3 LYS 27 12.818 2.947 11.444 204 H ILE 28 H ILE 28 15.397 1.528 3.414 205 HA ILE 28 HA ILE 28 13.834 0.221 1.518 206 HB ILE 28 HB ILE 28 16.760 0.959 1.478 207 HG12 ILE 28 HG12 ILE 28 14.357 2.110 0.062 208 HG13 ILE 28 HG13 ILE 28 15.158 2.814 1.466 209 HG21 ILE 28 HG21 ILE 28 15.148 -0.086 -0.843 210 HG22 ILE 28 HG22 ILE 28 16.408 -0.980 0.009 211 HG23 ILE 28 HG23 ILE 28 16.819 0.478 -0.894 212 HD11 ILE 28 HD11 ILE 28 15.769 3.903 -0.657 213 HD12 ILE 28 HD12 ILE 28 16.461 2.378 -1.214 214 HD13 ILE 28 HD13 ILE 28 17.155 3.208 0.181 215 H GLU 29 H GLU 29 16.972 -0.843 2.847 216 HA GLU 29 HA GLU 29 16.939 -3.391 1.661 217 HB2 GLU 29 HB2 GLU 29 18.377 -2.389 4.118 218 HB3 GLU 29 HB3 GLU 29 18.681 -3.948 3.369 219 HG2 GLU 29 HG2 GLU 29 19.096 -1.248 2.119 220 HG3 GLU 29 HG3 GLU 29 20.345 -2.365 2.664 221 H MET 30 H MET 30 15.729 -2.220 4.713 222 HA MET 30 HA MET 30 15.211 -4.686 5.942 223 HB2 MET 30 HB2 MET 30 15.253 -2.303 6.937 224 HB3 MET 30 HB3 MET 30 13.588 -2.193 6.391 225 HG2 MET 30 HG2 MET 30 13.939 -2.851 8.793 226 HG3 MET 30 HG3 MET 30 12.883 -3.890 7.838 227 HE1 MET 30 HE1 MET 30 14.246 -7.230 8.001 228 HE2 MET 30 HE2 MET 30 13.148 -6.070 7.250 229 HE3 MET 30 HE3 MET 30 13.062 -6.370 8.989 230 H GLY 31 H GLY 31 13.300 -2.661 3.758 231 HA2 GLY 31 HA2 GLY 31 11.187 -4.735 3.764 232 HA3 GLY 31 HA3 GLY 31 10.941 -3.047 3.339 233 H ARG 32 H ARG 32 13.619 -5.043 2.205 234 HA ARG 32 HA ARG 32 12.804 -4.452 -0.519 235 HB2 ARG 32 HB2 ARG 32 15.305 -4.881 0.824 236 HB3 ARG 32 HB3 ARG 32 15.170 -5.969 -0.554 237 HG2 ARG 32 HG2 ARG 32 14.501 -3.936 -1.906 238 HG3 ARG 32 HG3 ARG 32 15.039 -2.979 -0.526 239 HD2 ARG 32 HD2 ARG 32 17.249 -3.532 -0.826 240 HD3 ARG 32 HD3 ARG 32 16.869 -5.047 -1.645 241 HE ARG 32 HE ARG 32 15.954 -3.132 -3.351 242 HH11 ARG 32 HH11 ARG 32 19.036 -3.710 -1.748 243 HH12 ARG 32 HH12 ARG 32 19.997 -3.046 -3.122 244 HH21 ARG 32 HH21 ARG 32 17.135 -2.222 -5.083 245 HH22 ARG 32 HH22 ARG 32 18.943 -2.210 -4.970 246 H ASN 33 H ASN 33 11.400 -5.757 -1.369 247 HA ASN 33 HA ASN 33 10.359 -7.591 -2.175 248 HB2 ASN 33 HB2 ASN 33 13.091 -8.026 -2.553 249 HB3 ASN 33 HB3 ASN 33 12.474 -9.545 -1.904 250 HD21 ASN 33 HD21 ASN 33 12.236 -7.231 -4.498 251 HD22 ASN 33 HD22 ASN 33 11.395 -8.257 -5.608 252 H CYS 34 H CYS 34 10.433 -7.121 0.733 253 HA CYS 34 HA CYS 34 10.407 -9.721 1.952 254 HB2 CYS 34 HB2 CYS 34 9.414 -7.064 3.016 255 HB3 CYS 34 HB3 CYS 34 9.707 -8.517 3.965 256 HG CYS 34 HG CYS 34 11.747 -6.560 4.380 257 H LYS 35 H LYS 35 8.593 -10.926 2.533 258 HA LYS 35 HA LYS 35 6.315 -10.581 0.865 259 HB2 LYS 35 HB2 LYS 35 5.391 -12.529 2.216 260 HB3 LYS 35 HB3 LYS 35 6.863 -12.812 1.301 261 HG2 LYS 35 HG2 LYS 35 8.152 -12.447 3.410 262 HG3 LYS 35 HG3 LYS 35 6.614 -12.378 4.273 263 HD2 LYS 35 HD2 LYS 35 6.132 -14.617 3.834 264 HD3 LYS 35 HD3 LYS 35 7.267 -14.701 2.488 265 HE2 LYS 35 HE2 LYS 35 9.120 -14.422 4.137 266 HE3 LYS 35 HE3 LYS 35 7.927 -14.557 5.424 267 HZ1 LYS 35 HZ1 LYS 35 8.031 -16.667 3.387 268 HZ2 LYS 35 HZ2 LYS 35 7.601 -16.773 5.018 269 HZ3 LYS 35 HZ3 LYS 35 9.230 -16.644 4.581 270 H ILE 36 H ILE 36 5.389 -8.626 1.341 271 HA ILE 36 HA ILE 36 4.418 -8.051 4.006 272 HB ILE 36 HB ILE 36 3.738 -6.563 1.471 273 HG12 ILE 36 HG12 ILE 36 6.168 -6.669 1.617 274 HG13 ILE 36 HG13 ILE 36 5.608 -5.046 2.003 275 HG21 ILE 36 HG21 ILE 36 3.697 -5.823 4.387 276 HG22 ILE 36 HG22 ILE 36 2.331 -5.933 3.274 277 HG23 ILE 36 HG23 ILE 36 3.528 -4.652 3.079 278 HD11 ILE 36 HD11 ILE 36 7.412 -5.793 3.473 279 HD12 ILE 36 HD12 ILE 36 6.393 -7.123 4.026 280 HD13 ILE 36 HD13 ILE 36 5.924 -5.458 4.355 281 H VAL 37 H VAL 37 2.519 -8.697 4.756 282 HA VAL 37 HA VAL 37 0.551 -9.783 2.878 283 HB VAL 37 HB VAL 37 0.251 -9.877 5.866 284 HG11 VAL 37 HG11 VAL 37 -0.915 -12.017 5.289 285 HG12 VAL 37 HG12 VAL 37 -0.738 -11.576 3.590 286 HG13 VAL 37 HG13 VAL 37 -1.689 -10.556 4.672 287 HG21 VAL 37 HG21 VAL 37 1.865 -11.791 4.181 288 HG22 VAL 37 HG22 VAL 37 1.388 -12.071 5.858 289 HG23 VAL 37 HG23 VAL 37 2.480 -10.742 5.458 290 H THR 38 H THR 38 -1.387 -8.871 2.548 291 HA THR 38 HA THR 38 -2.022 -6.406 4.046 292 HB THR 38 HB THR 38 -2.655 -7.026 1.148 293 HG1 THR 38 HG1 THR 38 -0.369 -6.330 2.182 294 HG21 THR 38 HG21 THR 38 -2.864 -4.391 2.599 295 HG22 THR 38 HG22 THR 38 -4.229 -5.485 2.364 296 HG23 THR 38 HG23 THR 38 -3.416 -4.771 0.968 297 H GLU 39 H GLU 39 -3.638 -7.020 5.429 298 HA GLU 39 HA GLU 39 -5.714 -8.844 4.455 299 HB2 GLU 39 HB2 GLU 39 -5.371 -7.712 7.238 300 HB3 GLU 39 HB3 GLU 39 -6.452 -9.008 6.759 301 HG2 GLU 39 HG2 GLU 39 -4.511 -10.390 6.166 302 HG3 GLU 39 HG3 GLU 39 -3.448 -9.097 6.723 303 H VAL 40 H VAL 40 -7.407 -8.016 3.500 304 HA VAL 40 HA VAL 40 -8.279 -5.294 4.208 305 HB VAL 40 HB VAL 40 -8.833 -6.876 1.694 306 HG11 VAL 40 HG11 VAL 40 -10.636 -5.371 2.098 307 HG12 VAL 40 HG12 VAL 40 -9.635 -4.687 0.820 308 HG13 VAL 40 HG13 VAL 40 -9.528 -4.046 2.459 309 HG21 VAL 40 HG21 VAL 40 -7.104 -4.431 1.892 310 HG22 VAL 40 HG22 VAL 40 -7.205 -5.612 0.586 311 HG23 VAL 40 HG23 VAL 40 -6.446 -6.053 2.115 312 H VAL 41 H VAL 41 -10.118 -5.083 5.267 313 HA VAL 41 HA VAL 41 -12.133 -7.223 5.058 314 HB VAL 41 HB VAL 41 -11.728 -5.295 7.362 315 HG11 VAL 41 HG11 VAL 41 -13.617 -7.635 7.121 316 HG12 VAL 41 HG12 VAL 41 -14.079 -5.938 6.989 317 HG13 VAL 41 HG13 VAL 41 -13.442 -6.562 8.509 318 HG21 VAL 41 HG21 VAL 41 -11.016 -8.195 7.017 319 HG22 VAL 41 HG22 VAL 41 -11.193 -7.446 8.602 320 HG23 VAL 41 HG23 VAL 41 -9.966 -6.855 7.481 321 H GLN 42 H GLN 42 -14.106 -6.630 4.272 322 HA GLN 42 HA GLN 42 -14.429 -3.785 3.654 323 HB2 GLN 42 HB2 GLN 42 -14.345 -5.179 1.683 324 HB3 GLN 42 HB3 GLN 42 -15.602 -6.224 2.325 325 HG2 GLN 42 HG2 GLN 42 -17.209 -4.402 2.186 326 HG3 GLN 42 HG3 GLN 42 -15.950 -3.328 1.578 327 HE21 GLN 42 HE21 GLN 42 -18.459 -4.130 0.353 328 HE22 GLN 42 HE22 GLN 42 -18.050 -4.847 -1.168 329 H ASN 43 H ASN 43 -16.004 -2.663 4.558 330 HA ASN 43 HA ASN 43 -18.419 -3.991 5.440 331 HB2 ASN 43 HB2 ASN 43 -18.382 -2.877 7.600 332 HB3 ASN 43 HB3 ASN 43 -16.987 -3.916 7.438 333 HD21 ASN 43 HD21 ASN 43 -14.925 -2.878 6.989 334 HD22 ASN 43 HD22 ASN 43 -14.648 -1.248 7.511 335 H GLY 44 H GLY 44 -19.492 -3.037 3.773 336 HA2 GLY 44 HA2 GLY 44 -20.872 -1.397 2.903 337 HA3 GLY 44 HA3 GLY 44 -20.364 -0.337 4.211 338 H ASN 45 H ASN 45 -18.704 1.099 3.893 339 HA ASN 45 HA ASN 45 -17.471 1.129 1.212 340 HB2 ASN 45 HB2 ASN 45 -19.110 3.176 2.494 341 HB3 ASN 45 HB3 ASN 45 -17.537 3.786 1.995 342 HD21 ASN 45 HD21 ASN 45 -19.220 1.179 0.369 343 HD22 ASN 45 HD22 ASN 45 -19.550 2.052 -1.087 344 H ASP 46 H ASP 46 -16.813 0.458 4.186 345 HA ASP 46 HA ASP 46 -14.357 2.053 4.359 346 HB2 ASP 46 HB2 ASP 46 -15.751 2.216 6.345 347 HB3 ASP 46 HB3 ASP 46 -15.821 0.461 6.470 348 H PHE 47 H PHE 47 -12.537 1.109 3.767 349 HA PHE 47 HA PHE 47 -12.379 -1.824 3.892 350 HB2 PHE 47 HB2 PHE 47 -11.069 0.123 1.984 351 HB3 PHE 47 HB3 PHE 47 -10.639 -1.582 2.081 352 HD1 PHE 47 HD1 PHE 47 -13.395 0.758 1.313 353 HD2 PHE 47 HD2 PHE 47 -11.929 -3.223 1.018 354 HE1 PHE 47 HE1 PHE 47 -15.218 0.208 -0.240 355 HE2 PHE 47 HE2 PHE 47 -13.747 -3.780 -0.540 356 HZ PHE 47 HZ PHE 47 -15.395 -2.065 -1.168 357 H THR 48 H THR 48 -10.787 -2.717 5.063 358 HA THR 48 HA THR 48 -8.978 -0.894 6.458 359 HB THR 48 HB THR 48 -8.546 -3.340 7.584 360 HG1 THR 48 HG1 THR 48 -11.285 -3.461 7.512 361 HG21 THR 48 HG21 THR 48 -10.673 -1.309 8.261 362 HG22 THR 48 HG22 THR 48 -9.004 -1.324 8.833 363 HG23 THR 48 HG23 THR 48 -10.128 -2.584 9.351 364 H TRP 49 H TRP 49 -6.799 -1.063 6.379 365 HA TRP 49 HA TRP 49 -5.669 -3.024 4.487 366 HB2 TRP 49 HB2 TRP 49 -5.630 -0.224 4.283 367 HB3 TRP 49 HB3 TRP 49 -4.023 -0.657 4.858 368 HD1 TRP 49 HD1 TRP 49 -2.341 -1.297 3.037 369 HE1 TRP 49 HE1 TRP 49 -2.480 -1.975 0.556 370 HE3 TRP 49 HE3 TRP 49 -7.431 -1.568 2.551 371 HZ2 TRP 49 HZ2 TRP 49 -4.484 -2.539 -1.353 372 HZ3 TRP 49 HZ3 TRP 49 -8.374 -2.175 0.361 373 HH2 TRP 49 HH2 TRP 49 -6.931 -2.651 -1.549 374 H THR 50 H THR 50 -4.873 -4.524 5.827 375 HA THR 50 HA THR 50 -3.295 -3.659 8.151 376 HB THR 50 HB THR 50 -4.011 -6.513 7.633 377 HG1 THR 50 HG1 THR 50 -5.980 -5.329 7.392 378 HG21 THR 50 HG21 THR 50 -2.519 -5.889 9.491 379 HG22 THR 50 HG22 THR 50 -4.017 -6.624 10.062 380 HG23 THR 50 HG23 THR 50 -3.797 -4.875 10.162 381 H GLN 51 H GLN 51 -1.182 -3.467 7.694 382 HA GLN 51 HA GLN 51 -0.032 -5.264 5.678 383 HB2 GLN 51 HB2 GLN 51 1.182 -2.762 6.854 384 HB3 GLN 51 HB3 GLN 51 1.789 -3.687 5.488 385 HG2 GLN 51 HG2 GLN 51 -0.685 -1.991 5.634 386 HG3 GLN 51 HG3 GLN 51 0.726 -1.774 4.601 387 HE21 GLN 51 HE21 GLN 51 0.983 -3.139 2.800 388 HE22 GLN 51 HE22 GLN 51 -0.351 -4.027 2.146 389 H HIS 52 H HIS 52 1.074 -6.934 6.340 390 HA HIS 52 HA HIS 52 2.230 -6.867 9.039 391 HB2 HIS 52 HB2 HIS 52 1.377 -9.214 7.345 392 HB3 HIS 52 HB3 HIS 52 2.187 -9.357 8.901 393 HD2 HIS 52 HD2 HIS 52 -1.291 -9.196 7.493 394 HE1 HIS 52 HE1 HIS 52 -1.605 -8.105 11.569 395 HE2 HIS 52 HE2 HIS 52 -2.893 -8.834 9.506 396 H PHE 53 H PHE 53 4.259 -6.758 9.256 397 HA PHE 53 HA PHE 53 6.010 -7.245 6.977 398 HB2 PHE 53 HB2 PHE 53 5.997 -5.106 8.480 399 HB3 PHE 53 HB3 PHE 53 6.875 -6.112 9.624 400 HD1 PHE 53 HD1 PHE 53 7.111 -6.110 5.952 401 HD2 PHE 53 HD2 PHE 53 8.983 -5.153 9.630 402 HE1 PHE 53 HE1 PHE 53 9.209 -5.641 4.751 403 HE2 PHE 53 HE2 PHE 53 11.090 -4.683 8.451 404 HZ PHE 53 HZ PHE 53 11.205 -4.927 6.001 405 HA PRO 54 HA PRO 54 7.010 -11.200 8.848 406 HB2 PRO 54 HB2 PRO 54 9.134 -11.768 7.196 407 HB3 PRO 54 HB3 PRO 54 7.442 -12.030 6.741 408 HG2 PRO 54 HG2 PRO 54 9.247 -9.769 6.046 409 HG3 PRO 54 HG3 PRO 54 8.079 -10.635 5.029 410 HD2 PRO 54 HD2 PRO 54 7.514 -8.231 6.076 411 HD3 PRO 54 HD3 PRO 54 6.268 -9.487 5.888 412 H GLY 55 H GLY 55 7.952 -11.077 10.782 413 HA2 GLY 55 HA2 GLY 55 9.651 -11.009 12.335 414 HA3 GLY 55 HA3 GLY 55 10.783 -10.777 11.012 415 H GLY 56 H GLY 56 8.094 -8.600 11.317 416 HA2 GLY 56 HA2 GLY 56 9.749 -6.624 12.720 417 HA3 GLY 56 HA3 GLY 56 9.202 -6.236 11.101 418 H ARG 57 H ARG 57 8.320 -4.394 12.434 419 HA ARG 57 HA ARG 57 6.039 -4.893 14.089 420 HB2 ARG 57 HB2 ARG 57 5.771 -2.462 14.123 421 HB3 ARG 57 HB3 ARG 57 7.444 -2.911 14.427 422 HG2 ARG 57 HG2 ARG 57 7.925 -1.347 12.909 423 HG3 ARG 57 HG3 ARG 57 7.443 -2.557 11.723 424 HD2 ARG 57 HD2 ARG 57 6.213 -0.689 11.093 425 HD3 ARG 57 HD3 ARG 57 5.065 -1.620 12.063 426 HE ARG 57 HE ARG 57 6.373 0.143 13.781 427 HH11 ARG 57 HH11 ARG 57 4.169 0.299 11.020 428 HH12 ARG 57 HH12 ARG 57 3.457 1.867 11.553 429 HH21 ARG 57 HH21 ARG 57 5.485 2.144 14.454 430 HH22 ARG 57 HH22 ARG 57 4.172 2.888 13.454 431 H THR 58 H THR 58 3.887 -4.555 13.662 432 HA THR 58 HA THR 58 3.145 -4.735 10.842 433 HB THR 58 HB THR 58 2.318 -6.428 12.510 434 HG1 THR 58 HG1 THR 58 0.786 -6.650 11.069 435 HG21 THR 58 HG21 THR 58 1.867 -4.842 14.360 436 HG22 THR 58 HG22 THR 58 0.475 -5.848 13.973 437 HG23 THR 58 HG23 THR 58 0.529 -4.172 13.427 438 H THR 59 H THR 59 1.193 -3.530 10.128 439 HA THR 59 HA THR 59 0.655 -1.055 11.593 440 HB THR 59 HB THR 59 1.423 -0.898 8.680 441 HG1 THR 59 HG1 THR 59 3.056 -1.422 10.747 442 HG21 THR 59 HG21 THR 59 1.119 1.075 10.931 443 HG22 THR 59 HG22 THR 59 0.267 1.034 9.387 444 HG23 THR 59 HG23 THR 59 1.977 1.467 9.439 445 H THR 60 H THR 60 -1.514 -1.023 11.717 446 HA THR 60 HA THR 60 -3.067 -1.990 9.412 447 HB THR 60 HB THR 60 -4.160 -1.676 12.201 448 HG1 THR 60 HG1 THR 60 -3.789 -4.155 12.025 449 HG21 THR 60 HG21 THR 60 -5.004 -3.116 9.698 450 HG22 THR 60 HG22 THR 60 -5.898 -1.922 10.642 451 HG23 THR 60 HG23 THR 60 -5.654 -3.546 11.280 452 H ASN 61 H ASN 61 -4.512 -0.703 8.429 453 HA ASN 61 HA ASN 61 -5.199 1.875 9.665 454 HB2 ASN 61 HB2 ASN 61 -4.654 1.625 6.701 455 HB3 ASN 61 HB3 ASN 61 -4.854 3.093 7.651 456 HD21 ASN 61 HD21 ASN 61 -2.693 0.510 6.780 457 HD22 ASN 61 HD22 ASN 61 -1.253 1.255 7.382 458 H SER 62 H SER 62 -7.178 2.773 8.940 459 HA SER 62 HA SER 62 -8.935 0.958 7.451 460 HB2 SER 62 HB2 SER 62 -10.746 1.557 9.112 461 HB3 SER 62 HB3 SER 62 -9.448 0.558 9.768 462 HG SER 62 HG SER 62 -9.353 3.368 9.952 463 H PHE 63 H PHE 63 -9.905 2.027 5.808 464 HA PHE 63 HA PHE 63 -10.300 4.910 6.147 465 HB2 PHE 63 HB2 PHE 63 -9.543 5.334 3.854 466 HB3 PHE 63 HB3 PHE 63 -8.262 4.631 4.836 467 HD1 PHE 63 HD1 PHE 63 -7.479 2.363 4.419 468 HD2 PHE 63 HD2 PHE 63 -10.514 4.127 2.018 469 HE1 PHE 63 HE1 PHE 63 -7.169 0.597 2.731 470 HE2 PHE 63 HE2 PHE 63 -10.209 2.370 0.330 471 HZ PHE 63 HZ PHE 63 -8.536 0.600 0.685 472 H THR 64 H THR 64 -12.108 5.754 5.361 473 HA THR 64 HA THR 64 -14.008 3.910 4.101 474 HB THR 64 HB THR 64 -14.457 6.421 5.720 475 HG1 THR 64 HG1 THR 64 -14.176 3.862 6.415 476 HG21 THR 64 HG21 THR 64 -16.896 5.714 5.552 477 HG22 THR 64 HG22 THR 64 -16.394 4.694 4.202 478 HG23 THR 64 HG23 THR 64 -16.181 6.443 4.114 479 H ILE 65 H ILE 65 -14.649 4.303 2.061 480 HA ILE 65 HA ILE 65 -13.450 6.164 0.401 481 HB ILE 65 HB ILE 65 -16.193 4.952 0.056 482 HG12 ILE 65 HG12 ILE 65 -14.494 3.235 0.443 483 HG13 ILE 65 HG13 ILE 65 -15.040 3.198 -1.227 484 HG21 ILE 65 HG21 ILE 65 -14.285 6.090 -1.977 485 HG22 ILE 65 HG22 ILE 65 -15.818 6.799 -1.467 486 HG23 ILE 65 HG23 ILE 65 -15.804 5.267 -2.340 487 HD11 ILE 65 HD11 ILE 65 -13.013 4.465 -1.868 488 HD12 ILE 65 HD12 ILE 65 -12.665 2.890 -1.159 489 HD13 ILE 65 HD13 ILE 65 -12.460 4.353 -0.197 490 H ASP 66 H ASP 66 -13.655 8.239 0.066 491 HA ASP 66 HA ASP 66 -14.395 10.372 -0.011 492 HB2 ASP 66 HB2 ASP 66 -16.558 9.234 -0.863 493 HB3 ASP 66 HB3 ASP 66 -17.180 9.529 0.763 494 H LYS 67 H LYS 67 -13.518 8.964 2.410 495 HA LYS 67 HA LYS 67 -14.411 10.967 4.354 496 HB2 LYS 67 HB2 LYS 67 -15.685 9.035 4.925 497 HB3 LYS 67 HB3 LYS 67 -14.292 7.986 4.728 498 HG2 LYS 67 HG2 LYS 67 -14.604 8.163 7.027 499 HG3 LYS 67 HG3 LYS 67 -13.260 9.249 6.674 500 HD2 LYS 67 HD2 LYS 67 -14.953 11.110 6.569 501 HD3 LYS 67 HD3 LYS 67 -16.135 9.965 7.213 502 HE2 LYS 67 HE2 LYS 67 -14.237 9.575 9.008 503 HE3 LYS 67 HE3 LYS 67 -13.767 11.202 8.521 504 HZ1 LYS 67 HZ1 LYS 67 -15.337 11.091 10.433 505 HZ2 LYS 67 HZ2 LYS 67 -16.515 10.488 9.380 506 HZ3 LYS 67 HZ3 LYS 67 -15.879 12.040 9.141 507 H GLU 68 H GLU 68 -12.810 11.669 5.761 508 HA GLU 68 HA GLU 68 -10.100 11.138 4.997 509 HB2 GLU 68 HB2 GLU 68 -10.976 13.355 5.878 510 HB3 GLU 68 HB3 GLU 68 -11.011 12.613 7.472 511 HG2 GLU 68 HG2 GLU 68 -8.580 12.156 7.248 512 HG3 GLU 68 HG3 GLU 68 -8.595 13.062 5.737 513 H ALA 69 H ALA 69 -8.748 9.670 5.822 514 HA ALA 69 HA ALA 69 -9.624 8.213 8.231 515 HB1 ALA 69 HB1 ALA 69 -9.841 6.716 6.440 516 HB2 ALA 69 HB2 ALA 69 -8.311 6.286 7.209 517 HB3 ALA 69 HB3 ALA 69 -8.320 7.226 5.715 518 H ASP 70 H ASP 70 -7.942 7.277 9.534 519 HA ASP 70 HA ASP 70 -5.562 8.984 9.624 520 HB2 ASP 70 HB2 ASP 70 -6.668 7.044 11.682 521 HB3 ASP 70 HB3 ASP 70 -5.233 8.042 11.897 522 H MET 71 H MET 71 -3.790 8.223 8.727 523 HA MET 71 HA MET 71 -3.516 5.305 8.498 524 HB2 MET 71 HB2 MET 71 -2.474 7.357 6.558 525 HB3 MET 71 HB3 MET 71 -2.433 5.605 6.378 526 HG2 MET 71 HG2 MET 71 -4.600 5.474 5.782 527 HG3 MET 71 HG3 MET 71 -5.075 6.835 6.795 528 HE1 MET 71 HE1 MET 71 -6.224 7.403 3.217 529 HE2 MET 71 HE2 MET 71 -6.531 8.453 4.601 530 HE3 MET 71 HE3 MET 71 -6.548 6.701 4.803 531 H GLU 72 H GLU 72 -1.293 4.602 8.149 532 HA GLU 72 HA GLU 72 0.857 6.285 9.054 533 HB2 GLU 72 HB2 GLU 72 0.057 5.631 11.202 534 HB3 GLU 72 HB3 GLU 72 -0.182 3.969 10.698 535 HG2 GLU 72 HG2 GLU 72 2.157 3.571 10.654 536 HG3 GLU 72 HG3 GLU 72 2.517 5.283 10.861 537 H THR 73 H THR 73 2.799 5.527 8.318 538 HA THR 73 HA THR 73 2.658 3.227 6.514 539 HB THR 73 HB THR 73 4.631 4.033 5.454 540 HG1 THR 73 HG1 THR 73 5.951 5.580 6.355 541 HG21 THR 73 HG21 THR 73 2.369 5.575 5.559 542 HG22 THR 73 HG22 THR 73 3.723 5.825 4.458 543 HG23 THR 73 HG23 THR 73 3.641 6.729 5.966 544 H MET 74 H MET 74 4.842 1.995 6.395 545 HA MET 74 HA MET 74 5.342 0.927 9.017 546 HB2 MET 74 HB2 MET 74 6.178 0.234 6.234 547 HB3 MET 74 HB3 MET 74 7.170 -0.353 7.561 548 HG2 MET 74 HG2 MET 74 5.256 -1.468 8.533 549 HG3 MET 74 HG3 MET 74 4.218 -0.832 7.259 550 HE1 MET 74 HE1 MET 74 4.380 -3.859 8.085 551 HE2 MET 74 HE2 MET 74 4.499 -4.712 6.547 552 HE3 MET 74 HE3 MET 74 3.363 -3.377 6.730 553 H GLY 75 H GLY 75 6.391 3.580 7.391 554 HA2 GLY 75 HA2 GLY 75 9.156 3.506 8.268 555 HA3 GLY 75 HA3 GLY 75 8.370 4.811 7.385 556 H GLY 76 H GLY 76 6.261 4.059 9.717 557 HA2 GLY 76 HA2 GLY 76 5.921 4.706 11.931 558 HA3 GLY 76 HA3 GLY 76 7.517 5.441 11.941 559 H ARG 77 H ARG 77 5.265 6.107 9.389 560 HA ARG 77 HA ARG 77 5.140 8.885 10.292 561 HB2 ARG 77 HB2 ARG 77 4.319 7.832 7.598 562 HB3 ARG 77 HB3 ARG 77 4.714 9.488 8.040 563 HG2 ARG 77 HG2 ARG 77 6.995 9.011 8.188 564 HG3 ARG 77 HG3 ARG 77 6.719 7.273 8.205 565 HD2 ARG 77 HD2 ARG 77 7.280 7.459 6.040 566 HD3 ARG 77 HD3 ARG 77 5.576 7.876 5.871 567 HE ARG 77 HE ARG 77 6.800 10.269 6.299 568 HH11 ARG 77 HH11 ARG 77 7.264 7.595 4.102 569 HH12 ARG 77 HH12 ARG 77 7.801 8.639 2.728 570 HH21 ARG 77 HH21 ARG 77 7.557 11.659 4.618 571 HH22 ARG 77 HH22 ARG 77 8.024 10.919 3.042 572 H LYS 78 H LYS 78 3.361 9.638 11.192 573 HA LYS 78 HA LYS 78 0.836 8.186 10.786 574 HB2 LYS 78 HB2 LYS 78 1.685 10.095 12.977 575 HB3 LYS 78 HB3 LYS 78 0.082 9.390 12.840 576 HG2 LYS 78 HG2 LYS 78 1.011 7.944 14.334 577 HG3 LYS 78 HG3 LYS 78 1.461 7.136 12.835 578 HD2 LYS 78 HD2 LYS 78 3.616 8.545 12.986 579 HD3 LYS 78 HD3 LYS 78 3.160 8.792 14.667 580 HE2 LYS 78 HE2 LYS 78 3.825 6.220 13.265 581 HE3 LYS 78 HE3 LYS 78 4.619 6.943 14.663 582 HZ1 LYS 78 HZ1 LYS 78 1.900 5.739 14.592 583 HZ2 LYS 78 HZ2 LYS 78 2.563 6.540 15.932 584 HZ3 LYS 78 HZ3 LYS 78 3.269 5.112 15.368 585 H PHE 79 H PHE 79 -0.783 9.161 9.695 586 HA PHE 79 HA PHE 79 -0.977 12.035 9.496 587 HB2 PHE 79 HB2 PHE 79 -0.766 12.052 6.997 588 HB3 PHE 79 HB3 PHE 79 0.740 11.683 7.838 589 HD1 PHE 79 HD1 PHE 79 1.677 9.468 7.810 590 HD2 PHE 79 HD2 PHE 79 -1.860 10.386 5.641 591 HE1 PHE 79 HE1 PHE 79 1.928 7.388 6.547 592 HE2 PHE 79 HE2 PHE 79 -1.622 8.297 4.363 593 HZ PHE 79 HZ PHE 79 0.277 6.794 4.816 594 H LYS 80 H LYS 80 -2.713 12.555 7.713 595 HA LYS 80 HA LYS 80 -4.800 10.496 7.695 596 HB2 LYS 80 HB2 LYS 80 -5.110 13.397 8.475 597 HB3 LYS 80 HB3 LYS 80 -6.464 12.357 8.059 598 HG2 LYS 80 HG2 LYS 80 -6.546 11.624 10.139 599 HG3 LYS 80 HG3 LYS 80 -4.897 11.020 10.016 600 HD2 LYS 80 HD2 LYS 80 -4.455 12.486 11.649 601 HD3 LYS 80 HD3 LYS 80 -4.496 13.694 10.369 602 HE2 LYS 80 HE2 LYS 80 -7.001 12.892 11.798 603 HE3 LYS 80 HE3 LYS 80 -5.908 14.077 12.504 604 HZ1 LYS 80 HZ1 LYS 80 -7.371 14.277 9.925 605 HZ2 LYS 80 HZ2 LYS 80 -6.127 15.340 10.372 606 HZ3 LYS 80 HZ3 LYS 80 -7.540 15.255 11.297 607 H ALA 81 H ALA 81 -6.029 10.436 5.861 608 HA ALA 81 HA ALA 81 -5.756 12.515 3.853 609 HB1 ALA 81 HB1 ALA 81 -3.798 10.956 3.566 610 HB2 ALA 81 HB2 ALA 81 -4.824 11.167 2.146 611 HB3 ALA 81 HB3 ALA 81 -4.965 9.706 3.126 612 H THR 82 H THR 82 -7.143 12.094 1.961 613 HA THR 82 HA THR 82 -9.562 10.643 2.792 614 HB THR 82 HB THR 82 -9.671 12.528 0.495 615 HG1 THR 82 HG1 THR 82 -8.368 13.631 2.092 616 HG21 THR 82 HG21 THR 82 -11.819 13.127 1.589 617 HG22 THR 82 HG22 THR 82 -11.445 11.997 2.888 618 HG23 THR 82 HG23 THR 82 -11.693 11.400 1.245 619 H VAL 83 H VAL 83 -10.303 8.979 1.603 620 HA VAL 83 HA VAL 83 -8.871 8.342 -0.895 621 HB VAL 83 HB VAL 83 -10.118 6.428 1.088 622 HG11 VAL 83 HG11 VAL 83 -9.106 4.669 -0.254 623 HG12 VAL 83 HG12 VAL 83 -8.513 5.872 -1.399 624 HG13 VAL 83 HG13 VAL 83 -10.252 5.616 -1.203 625 HG21 VAL 83 HG21 VAL 83 -7.772 5.708 1.473 626 HG22 VAL 83 HG22 VAL 83 -8.117 7.346 2.024 627 HG23 VAL 83 HG23 VAL 83 -7.236 7.088 0.520 628 H LYS 84 H LYS 84 -10.084 7.670 -2.665 629 HA LYS 84 HA LYS 84 -13.004 7.645 -2.326 630 HB2 LYS 84 HB2 LYS 84 -13.194 8.830 -4.527 631 HB3 LYS 84 HB3 LYS 84 -12.526 9.816 -3.235 632 HG2 LYS 84 HG2 LYS 84 -10.240 8.975 -4.206 633 HG3 LYS 84 HG3 LYS 84 -11.206 8.724 -5.664 634 HD2 LYS 84 HD2 LYS 84 -11.842 11.029 -5.716 635 HD3 LYS 84 HD3 LYS 84 -11.107 11.319 -4.138 636 HE2 LYS 84 HE2 LYS 84 -8.912 10.634 -5.171 637 HE3 LYS 84 HE3 LYS 84 -9.724 10.685 -6.734 638 HZ1 LYS 84 HZ1 LYS 84 -10.281 13.020 -6.290 639 HZ2 LYS 84 HZ2 LYS 84 -8.611 12.763 -6.329 640 HZ3 LYS 84 HZ3 LYS 84 -9.403 12.955 -4.847 641 H MET 85 H MET 85 -13.970 6.839 -4.577 642 HA MET 85 HA MET 85 -12.301 4.609 -5.527 643 HB2 MET 85 HB2 MET 85 -14.653 4.404 -3.943 644 HB3 MET 85 HB3 MET 85 -15.036 3.818 -5.549 645 HG2 MET 85 HG2 MET 85 -13.119 2.287 -5.420 646 HG3 MET 85 HG3 MET 85 -12.829 2.840 -3.769 647 HE1 MET 85 HE1 MET 85 -14.240 -0.514 -2.728 648 HE2 MET 85 HE2 MET 85 -13.206 0.830 -2.248 649 HE3 MET 85 HE3 MET 85 -12.921 -0.001 -3.780 650 H GLU 86 H GLU 86 -12.051 4.759 -7.651 651 HA GLU 86 HA GLU 86 -14.238 5.945 -9.234 652 HB2 GLU 86 HB2 GLU 86 -11.300 6.063 -9.921 653 HB3 GLU 86 HB3 GLU 86 -12.616 6.912 -10.719 654 HG2 GLU 86 HG2 GLU 86 -12.773 7.683 -8.051 655 HG3 GLU 86 HG3 GLU 86 -11.053 7.682 -8.430 656 H GLY 87 H GLY 87 -15.224 4.393 -10.343 657 HA2 GLY 87 HA2 GLY 87 -15.544 2.668 -11.828 658 HA3 GLY 87 HA3 GLY 87 -13.852 2.828 -12.272 659 H GLY 88 H GLY 88 -14.953 2.166 -9.013 660 HA2 GLY 88 HA2 GLY 88 -14.847 0.253 -7.723 661 HA3 GLY 88 HA3 GLY 88 -14.599 -0.672 -9.197 662 H LYS 89 H LYS 89 -12.590 2.023 -8.389 663 HA LYS 89 HA LYS 89 -10.417 0.209 -7.596 664 HB2 LYS 89 HB2 LYS 89 -9.983 2.676 -9.280 665 HB3 LYS 89 HB3 LYS 89 -8.843 1.380 -8.946 666 HG2 LYS 89 HG2 LYS 89 -10.354 -0.149 -10.232 667 HG3 LYS 89 HG3 LYS 89 -11.273 1.276 -10.714 668 HD2 LYS 89 HD2 LYS 89 -9.219 2.224 -11.704 669 HD3 LYS 89 HD3 LYS 89 -8.352 0.752 -11.268 670 HE2 LYS 89 HE2 LYS 89 -10.176 -0.468 -12.610 671 HE3 LYS 89 HE3 LYS 89 -10.536 1.119 -13.290 672 HZ1 LYS 89 HZ1 LYS 89 -7.953 -0.343 -13.427 673 HZ2 LYS 89 HZ2 LYS 89 -8.175 1.252 -13.963 674 HZ3 LYS 89 HZ3 LYS 89 -9.006 -0.012 -14.711 675 H ILE 90 H ILE 90 -9.451 0.811 -5.751 676 HA ILE 90 HA ILE 90 -10.403 3.190 -4.432 677 HB ILE 90 HB ILE 90 -8.226 1.381 -3.399 678 HG12 ILE 90 HG12 ILE 90 -11.177 0.922 -3.592 679 HG13 ILE 90 HG13 ILE 90 -9.855 -0.232 -3.752 680 HG21 ILE 90 HG21 ILE 90 -8.618 3.525 -2.271 681 HG22 ILE 90 HG22 ILE 90 -9.017 2.148 -1.242 682 HG23 ILE 90 HG23 ILE 90 -10.306 3.071 -2.021 683 HD11 ILE 90 HD11 ILE 90 -11.043 -0.739 -1.758 684 HD12 ILE 90 HD12 ILE 90 -10.987 0.940 -1.219 685 HD13 ILE 90 HD13 ILE 90 -9.505 -0.021 -1.282 686 H VAL 91 H VAL 91 -9.565 5.101 -4.973 687 HA VAL 91 HA VAL 91 -6.665 5.246 -5.425 688 HB VAL 91 HB VAL 91 -7.780 5.886 -7.427 689 HG11 VAL 91 HG11 VAL 91 -9.495 7.613 -5.679 690 HG12 VAL 91 HG12 VAL 91 -9.991 6.291 -6.738 691 HG13 VAL 91 HG13 VAL 91 -9.406 7.805 -7.429 692 HG21 VAL 91 HG21 VAL 91 -6.834 8.299 -5.895 693 HG22 VAL 91 HG22 VAL 91 -7.164 8.307 -7.626 694 HG23 VAL 91 HG23 VAL 91 -5.891 7.275 -6.974 695 H ALA 92 H ALA 92 -5.502 6.321 -4.019 696 HA ALA 92 HA ALA 92 -6.858 8.009 -2.032 697 HB1 ALA 92 HB1 ALA 92 -5.115 7.554 -0.541 698 HB2 ALA 92 HB2 ALA 92 -4.016 7.063 -1.828 699 HB3 ALA 92 HB3 ALA 92 -5.363 6.019 -1.376 700 H ASP 93 H ASP 93 -6.215 10.132 -1.667 701 HA ASP 93 HA ASP 93 -4.548 11.273 -3.797 702 HB2 ASP 93 HB2 ASP 93 -6.731 12.261 -3.702 703 HB3 ASP 93 HB3 ASP 93 -6.581 12.556 -1.972 704 H PHE 94 H PHE 94 -2.604 11.923 -3.378 705 HA PHE 94 HA PHE 94 -1.886 12.966 -0.741 706 HB2 PHE 94 HB2 PHE 94 -0.537 10.652 -2.144 707 HB3 PHE 94 HB3 PHE 94 0.277 11.615 -0.910 708 HD1 PHE 94 HD1 PHE 94 -0.525 11.569 1.414 709 HD2 PHE 94 HD2 PHE 94 -2.185 9.045 -1.584 710 HE1 PHE 94 HE1 PHE 94 -1.543 10.170 3.160 711 HE2 PHE 94 HE2 PHE 94 -3.212 7.648 0.166 712 HZ PHE 94 HZ PHE 94 -2.888 8.206 2.534 713 HA PRO 95 HA PRO 95 0.526 15.711 -3.214 714 HB2 PRO 95 HB2 PRO 95 2.744 15.954 -1.438 715 HB3 PRO 95 HB3 PRO 95 1.324 17.000 -1.534 716 HG2 PRO 95 HG2 PRO 95 1.991 15.328 0.577 717 HG3 PRO 95 HG3 PRO 95 0.437 16.138 0.317 718 HD2 PRO 95 HD2 PRO 95 1.191 13.323 -0.138 719 HD3 PRO 95 HD3 PRO 95 -0.400 14.032 0.198 720 H ASN 96 H ASN 96 1.419 14.938 -5.001 721 HA ASN 96 HA ASN 96 2.901 14.055 -6.469 722 HB2 ASN 96 HB2 ASN 96 4.548 15.356 -5.040 723 HB3 ASN 96 HB3 ASN 96 4.876 13.850 -4.191 724 HD21 ASN 96 HD21 ASN 96 6.948 13.579 -4.814 725 HD22 ASN 96 HD22 ASN 96 7.447 13.297 -6.448 726 H TYR 97 H TYR 97 1.272 12.391 -4.445 727 HA TYR 97 HA TYR 97 2.465 9.828 -5.219 728 HB2 TYR 97 HB2 TYR 97 2.989 10.498 -2.790 729 HB3 TYR 97 HB3 TYR 97 1.278 10.273 -2.476 730 HD1 TYR 97 HD1 TYR 97 0.374 7.882 -3.428 731 HD2 TYR 97 HD2 TYR 97 4.367 8.750 -2.227 732 HE1 TYR 97 HE1 TYR 97 0.767 5.491 -3.006 733 HE2 TYR 97 HE2 TYR 97 4.764 6.362 -1.805 734 HH TYR 97 HH TYR 97 2.599 3.918 -2.850 735 H HIS 98 H HIS 98 1.055 8.553 -6.128 736 HA HIS 98 HA HIS 98 -1.816 8.975 -5.631 737 HB2 HIS 98 HB2 HIS 98 -0.526 9.569 -7.995 738 HB3 HIS 98 HB3 HIS 98 -1.122 7.940 -8.289 739 HD1 HIS 98 HD1 HIS 98 -2.667 11.042 -6.692 740 HD2 HIS 98 HD2 HIS 98 -3.491 8.131 -9.545 741 HE1 HIS 98 HE1 HIS 98 -4.971 11.568 -7.538 742 HE2 HIS 98 HE2 HIS 98 -5.349 9.937 -9.422 743 H HIS 99 H HIS 99 -2.615 7.193 -4.706 744 HA HIS 99 HA HIS 99 -1.378 4.604 -5.368 745 HB2 HIS 99 HB2 HIS 99 -1.240 5.500 -2.972 746 HB3 HIS 99 HB3 HIS 99 -2.970 5.207 -2.879 747 HD2 HIS 99 HD2 HIS 99 -0.748 2.557 -4.645 748 HE1 HIS 99 HE1 HIS 99 -1.937 1.070 -0.865 749 HE2 HIS 99 HE2 HIS 99 -0.575 0.593 -2.948 750 H THR 100 H THR 100 -2.595 3.372 -6.642 751 HA THR 100 HA THR 100 -5.523 3.434 -6.268 752 HB THR 100 HB THR 100 -5.786 2.969 -8.693 753 HG1 THR 100 HG1 THR 100 -3.335 2.331 -8.691 754 HG21 THR 100 HG21 THR 100 -4.205 5.488 -8.178 755 HG22 THR 100 HG22 THR 100 -5.922 5.286 -7.843 756 HG23 THR 100 HG23 THR 100 -5.336 5.205 -9.504 757 H ALA 101 H ALA 101 -6.397 1.473 -5.863 758 HA ALA 101 HA ALA 101 -4.747 -0.900 -6.474 759 HB1 ALA 101 HB1 ALA 101 -6.692 -0.711 -4.191 760 HB2 ALA 101 HB2 ALA 101 -4.989 -0.275 -4.036 761 HB3 ALA 101 HB3 ALA 101 -5.438 -1.924 -4.466 762 H GLU 102 H GLU 102 -5.711 -2.598 -7.490 763 HA GLU 102 HA GLU 102 -8.595 -2.766 -7.681 764 HB2 GLU 102 HB2 GLU 102 -8.671 -2.712 -10.104 765 HB3 GLU 102 HB3 GLU 102 -8.021 -1.194 -9.494 766 HG2 GLU 102 HG2 GLU 102 -5.725 -2.161 -9.936 767 HG3 GLU 102 HG3 GLU 102 -6.544 -3.451 -10.814 768 H ILE 103 H ILE 103 -9.143 -4.641 -9.257 769 HA ILE 103 HA ILE 103 -7.291 -6.851 -8.677 770 HB ILE 103 HB ILE 103 -10.271 -7.050 -9.138 771 HG12 ILE 103 HG12 ILE 103 -9.658 -5.853 -7.013 772 HG13 ILE 103 HG13 ILE 103 -10.566 -7.341 -6.779 773 HG21 ILE 103 HG21 ILE 103 -9.447 -9.110 -9.697 774 HG22 ILE 103 HG22 ILE 103 -9.749 -9.319 -7.969 775 HG23 ILE 103 HG23 ILE 103 -8.114 -9.007 -8.549 776 HD11 ILE 103 HD11 ILE 103 -8.654 -8.501 -6.023 777 HD12 ILE 103 HD12 ILE 103 -8.655 -6.944 -5.197 778 HD13 ILE 103 HD13 ILE 103 -7.576 -7.214 -6.561 779 H SER 104 H SER 104 -6.215 -7.356 -10.444 780 HA SER 104 HA SER 104 -7.677 -7.397 -12.999 781 HB2 SER 104 HB2 SER 104 -4.788 -6.603 -12.557 782 HB3 SER 104 HB3 SER 104 -5.623 -6.642 -14.108 783 HG SER 104 HG SER 104 -7.017 -5.195 -12.306 784 H GLY 105 H GLY 105 -7.877 -9.413 -13.692 785 HA2 GLY 105 HA2 GLY 105 -7.339 -11.575 -14.279 786 HA3 GLY 105 HA3 GLY 105 -5.659 -11.194 -13.924 787 H GLY 106 H GLY 106 -8.123 -10.677 -11.552 788 HA2 GLY 106 HA2 GLY 106 -8.677 -11.836 -9.630 789 HA3 GLY 106 HA3 GLY 106 -7.806 -13.223 -10.270 790 H LYS 107 H LYS 107 -6.195 -10.189 -10.144 791 HA LYS 107 HA LYS 107 -4.752 -10.980 -7.709 792 HB2 LYS 107 HB2 LYS 107 -3.690 -10.354 -10.432 793 HB3 LYS 107 HB3 LYS 107 -2.743 -9.878 -9.033 794 HG2 LYS 107 HG2 LYS 107 -2.484 -12.116 -8.328 795 HG3 LYS 107 HG3 LYS 107 -3.716 -12.685 -9.457 796 HD2 LYS 107 HD2 LYS 107 -2.326 -12.361 -11.314 797 HD3 LYS 107 HD3 LYS 107 -1.225 -11.315 -10.420 798 HE2 LYS 107 HE2 LYS 107 -0.031 -13.291 -10.584 799 HE3 LYS 107 HE3 LYS 107 -0.770 -13.423 -8.989 800 HZ1 LYS 107 HZ1 LYS 107 -0.880 -15.446 -10.457 801 HZ2 LYS 107 HZ2 LYS 107 -2.000 -14.612 -11.410 802 HZ3 LYS 107 HZ3 LYS 107 -2.348 -14.947 -9.787 803 H LEU 108 H LEU 108 -4.161 -9.310 -6.384 804 HA LEU 108 HA LEU 108 -5.407 -6.739 -6.876 805 HB2 LEU 108 HB2 LEU 108 -5.441 -7.886 -4.650 806 HB3 LEU 108 HB3 LEU 108 -3.708 -7.683 -4.554 807 HG LEU 108 HG LEU 108 -5.218 -6.074 -3.243 808 HD11 LEU 108 HD11 LEU 108 -2.748 -5.834 -3.686 809 HD12 LEU 108 HD12 LEU 108 -3.634 -4.345 -3.342 810 HD13 LEU 108 HD13 LEU 108 -3.190 -4.748 -5.003 811 HD21 LEU 108 HD21 LEU 108 -5.375 -4.685 -5.896 812 HD22 LEU 108 HD22 LEU 108 -6.075 -4.169 -4.359 813 HD23 LEU 108 HD23 LEU 108 -6.704 -5.599 -5.184 814 H VAL 109 H VAL 109 -4.374 -5.294 -8.064 815 HA VAL 109 HA VAL 109 -1.455 -5.130 -7.774 816 HB VAL 109 HB VAL 109 -1.807 -5.917 -9.976 817 HG11 VAL 109 HG11 VAL 109 -3.814 -3.708 -10.399 818 HG12 VAL 109 HG12 VAL 109 -4.199 -5.410 -10.157 819 HG13 VAL 109 HG13 VAL 109 -3.309 -4.903 -11.590 820 HG21 VAL 109 HG21 VAL 109 -1.004 -4.053 -11.378 821 HG22 VAL 109 HG22 VAL 109 -0.143 -4.180 -9.842 822 HG23 VAL 109 HG23 VAL 109 -1.377 -2.936 -10.067 823 H GLU 110 H GLU 110 -0.941 -3.446 -6.662 824 HA GLU 110 HA GLU 110 -2.632 -1.062 -6.779 825 HB2 GLU 110 HB2 GLU 110 -1.165 -0.379 -4.777 826 HB3 GLU 110 HB3 GLU 110 -2.351 -1.652 -4.533 827 HG2 GLU 110 HG2 GLU 110 -0.712 -3.333 -4.552 828 HG3 GLU 110 HG3 GLU 110 0.502 -2.239 -5.215 829 H ILE 111 H ILE 111 -1.876 0.857 -7.431 830 HA ILE 111 HA ILE 111 0.858 0.899 -8.531 831 HB ILE 111 HB ILE 111 -1.570 2.358 -9.607 832 HG12 ILE 111 HG12 ILE 111 -0.765 0.735 -11.621 833 HG13 ILE 111 HG13 ILE 111 -0.342 -0.263 -10.235 834 HG21 ILE 111 HG21 ILE 111 1.159 2.097 -10.848 835 HG22 ILE 111 HG22 ILE 111 0.641 3.494 -9.904 836 HG23 ILE 111 HG23 ILE 111 -0.193 3.088 -11.404 837 HD11 ILE 111 HD11 ILE 111 -2.539 -0.825 -11.052 838 HD12 ILE 111 HD12 ILE 111 -3.066 0.846 -10.859 839 HD13 ILE 111 HD13 ILE 111 -2.652 -0.116 -9.440 840 H SER 112 H SER 112 2.159 2.392 -7.741 841 HA SER 112 HA SER 112 1.001 4.693 -6.307 842 HB2 SER 112 HB2 SER 112 3.482 3.096 -5.629 843 HB3 SER 112 HB3 SER 112 3.027 4.603 -4.843 844 HG SER 112 HG SER 112 1.489 2.217 -4.887 845 H THR 113 H THR 113 1.342 6.432 -7.536 846 HA THR 113 HA THR 113 3.773 6.594 -9.159 847 HB THR 113 HB THR 113 1.797 8.775 -9.314 848 HG1 THR 113 HG1 THR 113 0.619 7.072 -10.801 849 HG21 THR 113 HG21 THR 113 3.433 7.100 -11.205 850 HG22 THR 113 HG22 THR 113 3.457 8.848 -10.954 851 HG23 THR 113 HG23 THR 113 2.106 8.103 -11.804 852 H SER 114 H SER 114 5.398 7.902 -8.668 853 HA SER 114 HA SER 114 4.945 10.266 -7.023 854 HB2 SER 114 HB2 SER 114 6.949 8.109 -6.315 855 HB3 SER 114 HB3 SER 114 6.894 9.708 -5.571 856 HG SER 114 HG SER 114 4.451 8.734 -5.444 857 H SER 115 H SER 115 5.685 11.836 -8.241 858 HA SER 115 HA SER 115 6.954 13.092 -9.632 859 HB2 SER 115 HB2 SER 115 9.182 11.295 -8.649 860 HB3 SER 115 HB3 SER 115 9.410 12.810 -9.519 861 HG SER 115 HG SER 115 8.783 13.926 -7.793 862 H GLY 116 H GLY 116 5.625 10.720 -10.674 863 HA2 GLY 116 HA2 GLY 116 5.456 10.117 -12.951 864 HA3 GLY 116 HA3 GLY 116 7.153 10.515 -13.163 865 H VAL 117 H VAL 117 7.546 8.889 -10.535 866 HA VAL 117 HA VAL 117 8.193 6.441 -11.893 867 HB VAL 117 HB VAL 117 8.381 7.109 -8.952 868 HG11 VAL 117 HG11 VAL 117 9.577 4.846 -10.541 869 HG12 VAL 117 HG12 VAL 117 8.336 4.715 -9.295 870 HG13 VAL 117 HG13 VAL 117 9.969 5.226 -8.868 871 HG21 VAL 117 HG21 VAL 117 10.745 7.491 -9.387 872 HG22 VAL 117 HG22 VAL 117 9.748 8.576 -10.357 873 HG23 VAL 117 HG23 VAL 117 10.493 7.159 -11.100 874 H VAL 118 H VAL 118 6.714 4.982 -12.312 875 HA VAL 118 HA VAL 118 4.369 4.716 -10.620 876 HB VAL 118 HB VAL 118 5.022 3.336 -13.227 877 HG11 VAL 118 HG11 VAL 118 2.382 3.577 -11.796 878 HG12 VAL 118 HG12 VAL 118 3.425 2.160 -11.715 879 HG13 VAL 118 HG13 VAL 118 2.722 2.654 -13.260 880 HG21 VAL 118 HG21 VAL 118 3.223 5.692 -12.676 881 HG22 VAL 118 HG22 VAL 118 3.499 4.931 -14.244 882 HG23 VAL 118 HG23 VAL 118 4.815 5.780 -13.432 883 H TYR 119 H TYR 119 4.745 3.563 -8.882 884 HA TYR 119 HA TYR 119 6.314 1.093 -9.013 885 HB2 TYR 119 HB2 TYR 119 6.812 2.605 -7.167 886 HB3 TYR 119 HB3 TYR 119 5.125 2.607 -6.678 887 HD1 TYR 119 HD1 TYR 119 7.784 0.059 -7.353 888 HD2 TYR 119 HD2 TYR 119 4.654 1.379 -4.795 889 HE1 TYR 119 HE1 TYR 119 8.242 -1.820 -5.834 890 HE2 TYR 119 HE2 TYR 119 5.113 -0.487 -3.262 891 HH TYR 119 HH TYR 119 7.780 -2.752 -3.863 892 H LYS 120 H LYS 120 5.325 -0.835 -9.201 893 HA LYS 120 HA LYS 120 2.472 -0.963 -8.503 894 HB2 LYS 120 HB2 LYS 120 3.899 -2.178 -10.866 895 HB3 LYS 120 HB3 LYS 120 2.254 -2.577 -10.399 896 HG2 LYS 120 HG2 LYS 120 1.430 -0.529 -11.021 897 HG3 LYS 120 HG3 LYS 120 2.992 0.267 -10.838 898 HD2 LYS 120 HD2 LYS 120 2.518 0.136 -13.172 899 HD3 LYS 120 HD3 LYS 120 3.790 -1.033 -12.820 900 HE2 LYS 120 HE2 LYS 120 1.850 -2.719 -12.566 901 HE3 LYS 120 HE3 LYS 120 0.902 -1.513 -13.436 902 HZ1 LYS 120 HZ1 LYS 120 3.489 -2.506 -14.472 903 HZ2 LYS 120 HZ2 LYS 120 2.252 -1.705 -15.314 904 HZ3 LYS 120 HZ3 LYS 120 2.031 -3.303 -14.806 905 H ARG 121 H ARG 121 1.757 -2.744 -7.442 906 HA ARG 121 HA ARG 121 3.700 -4.904 -6.935 907 HB2 ARG 121 HB2 ARG 121 1.820 -3.667 -4.910 908 HB3 ARG 121 HB3 ARG 121 2.749 -5.130 -4.645 909 HG2 ARG 121 HG2 ARG 121 4.810 -3.673 -5.102 910 HG3 ARG 121 HG3 ARG 121 3.715 -2.309 -4.865 911 HD2 ARG 121 HD2 ARG 121 4.506 -4.441 -2.904 912 HD3 ARG 121 HD3 ARG 121 4.661 -2.692 -2.752 913 HE ARG 121 HE ARG 121 2.184 -2.625 -2.605 914 HH11 ARG 121 HH11 ARG 121 3.942 -5.568 -1.774 915 HH12 ARG 121 HH12 ARG 121 2.608 -6.219 -0.757 916 HH21 ARG 121 HH21 ARG 121 0.450 -3.418 -1.364 917 HH22 ARG 121 HH22 ARG 121 0.632 -5.024 -0.541 918 H THR 122 H THR 122 2.946 -6.844 -7.342 919 HA THR 122 HA THR 122 0.072 -7.190 -7.811 920 HB THR 122 HB THR 122 2.284 -9.099 -8.561 921 HG1 THR 122 HG1 THR 122 1.622 -6.668 -9.655 922 HG21 THR 122 HG21 THR 122 -0.571 -8.734 -9.447 923 HG22 THR 122 HG22 THR 122 0.142 -10.129 -8.629 924 HG23 THR 122 HG23 THR 122 0.586 -9.762 -10.296 925 H SER 123 H SER 123 -1.022 -8.107 -6.186 926 HA SER 123 HA SER 123 0.399 -10.061 -4.501 927 HB2 SER 123 HB2 SER 123 -1.791 -8.245 -3.477 928 HB3 SER 123 HB3 SER 123 -0.646 -9.208 -2.544 929 HG SER 123 HG SER 123 -0.063 -6.926 -4.125 930 H LYS 124 H LYS 124 -0.623 -11.949 -4.154 931 HA LYS 124 HA LYS 124 -3.035 -12.432 -5.679 932 HB2 LYS 124 HB2 LYS 124 -2.654 -14.798 -5.106 933 HB3 LYS 124 HB3 LYS 124 -1.240 -14.050 -5.844 934 HG2 LYS 124 HG2 LYS 124 -0.407 -13.684 -3.464 935 HG3 LYS 124 HG3 LYS 124 -1.673 -14.819 -2.981 936 HD2 LYS 124 HD2 LYS 124 -0.652 -16.600 -3.998 937 HD3 LYS 124 HD3 LYS 124 0.151 -15.593 -5.201 938 HE2 LYS 124 HE2 LYS 124 1.476 -14.670 -3.168 939 HE3 LYS 124 HE3 LYS 124 0.935 -16.148 -2.374 940 HZ1 LYS 124 HZ1 LYS 124 3.077 -16.479 -3.382 941 HZ2 LYS 124 HZ2 LYS 124 2.501 -15.983 -4.899 942 HZ3 LYS 124 HZ3 LYS 124 1.928 -17.415 -4.195 943 H LYS 125 H LYS 125 -4.880 -13.494 -4.796 944 HA LYS 125 HA LYS 125 -5.516 -12.516 -2.119 945 HB2 LYS 125 HB2 LYS 125 -6.999 -12.242 -4.267 946 HB3 LYS 125 HB3 LYS 125 -7.493 -13.890 -3.919 947 HG2 LYS 125 HG2 LYS 125 -7.837 -11.484 -2.138 948 HG3 LYS 125 HG3 LYS 125 -9.102 -12.373 -2.987 949 HD2 LYS 125 HD2 LYS 125 -7.815 -14.313 -1.482 950 HD3 LYS 125 HD3 LYS 125 -7.833 -12.903 -0.423 951 HE2 LYS 125 HE2 LYS 125 -9.789 -14.287 -0.069 952 HE3 LYS 125 HE3 LYS 125 -10.246 -12.711 -0.718 953 HZ1 LYS 125 HZ1 LYS 125 -10.033 -15.236 -2.274 954 HZ2 LYS 125 HZ2 LYS 125 -10.476 -13.729 -2.903 955 HZ3 LYS 125 HZ3 LYS 125 -11.472 -14.499 -1.774 956 H ILE 126 H ILE 126 -5.385 -13.833 -0.438 957 HA ILE 126 HA ILE 126 -6.008 -16.672 -0.805 958 HB ILE 126 HB ILE 126 -3.916 -16.260 1.196 959 HG12 ILE 126 HG12 ILE 126 -2.176 -16.334 -0.815 960 HG13 ILE 126 HG13 ILE 126 -3.430 -15.404 -1.623 961 HG21 ILE 126 HG21 ILE 126 -4.682 -18.447 0.535 962 HG22 ILE 126 HG22 ILE 126 -2.984 -18.259 0.097 963 HG23 ILE 126 HG23 ILE 126 -4.234 -18.133 -1.141 964 HD11 ILE 126 HD11 ILE 126 -1.735 -13.987 -0.584 965 HD12 ILE 126 HD12 ILE 126 -2.139 -14.670 0.988 966 HD13 ILE 126 HD13 ILE 126 -3.335 -13.718 0.109 967 H ALA 127 H ALA 127 -6.327 -17.749 1.364 968 HA ALA 127 HA ALA 127 -7.040 -16.038 3.565 969 HB1 ALA 127 HB1 ALA 127 -9.052 -15.801 2.244 970 HB2 ALA 127 HB2 ALA 127 -9.397 -16.808 3.650 971 HB3 ALA 127 HB3 ALA 127 -9.179 -17.551 2.066 972 H11 CHO 200 H11 CHO 200 6.273 -0.345 -1.254 973 H12 CHO 200 H12 CHO 200 7.097 -1.379 -0.051 974 H21 CHO 200 H21 CHO 200 5.227 -1.088 1.512 975 H22 CHO 200 H22 CHO 200 4.646 -1.734 -0.049 976 H3 CHO 200 H3 CHO 200 3.932 0.518 -0.737 977 HO3 CHO 200 HO3 CHO 200 2.499 -0.840 0.566 978 H41 CHO 200 H41 CHO 200 4.872 1.354 2.043 979 H42 CHO 200 H42 CHO 200 4.048 2.395 0.853 980 H5 CHO 200 H5 CHO 200 5.917 2.065 -0.731 981 H61 CHO 200 H61 CHO 200 5.936 3.954 0.899 982 H62 CHO 200 H62 CHO 200 7.579 3.407 0.490 983 H7 CHO 200 H7 CHO 200 7.384 3.739 2.905 984 HO7 CHO 200 HO7 CHO 200 5.885 2.267 4.071 985 H8 CHO 200 H8 CHO 200 8.827 1.939 2.152 986 H9 CHO 200 H9 CHO 200 6.347 0.181 2.416 987 H111 CHO 200 H111 CHO 200 9.173 -0.574 1.614 988 H112 CHO 200 H112 CHO 200 7.742 -1.654 1.706 989 H121 CHO 200 H121 CHO 200 9.224 -1.870 3.698 990 H122 CHO 200 H122 CHO 200 7.591 -1.312 4.117 991 H14 CHO 200 H14 CHO 200 7.100 1.189 4.473 992 H151 CHO 200 H151 CHO 200 8.168 3.260 5.154 993 H152 CHO 200 H152 CHO 200 9.649 2.919 4.328 994 H161 CHO 200 H161 CHO 200 8.685 1.919 6.985 995 H162 CHO 200 H162 CHO 200 10.336 1.957 6.405 996 H17 CHO 200 H17 CHO 200 8.337 -0.283 6.216 997 H181 CHO 200 H181 CHO 200 10.709 1.613 3.886 998 H182 CHO 200 H182 CHO 200 10.358 0.539 2.511 999 H183 CHO 200 H183 CHO 200 11.219 -0.091 3.935 1000 H191 CHO 200 H191 CHO 200 8.614 2.085 -0.031 1001 H192 CHO 200 H192 CHO 200 8.250 0.899 -1.308 1002 H193 CHO 200 H193 CHO 200 9.144 0.396 0.146 1003 H20 CHO 200 H20 CHO 200 11.295 -0.225 5.862 1004 H211 CHO 200 H211 CHO 200 10.059 -2.697 6.763 1005 H212 CHO 200 H212 CHO 200 11.165 -2.410 5.398 1006 H213 CHO 200 H213 CHO 200 9.412 -2.192 5.183 1007 H221 CHO 200 H221 CHO 200 9.525 -0.852 8.254 1008 H222 CHO 200 H222 CHO 200 10.622 0.551 8.072 1009 H231 CHO 200 H231 CHO 200 12.539 -1.034 7.858 1010 H232 CHO 200 H232 CHO 200 11.406 -2.378 8.202 1011 HN CHO 200 HN CHO 200 11.609 -3.110 10.244 1012 H261 CHO 200 H261 CHO 200 11.296 -1.320 12.480 1013 H262 CHO 200 H262 CHO 200 12.953 -1.966 12.325 1014 H11 CHO 201 H11 CHO 201 -6.304 4.336 0.690 1015 H12 CHO 201 H12 CHO 201 -4.912 5.121 -0.105 1016 H21 CHO 201 H21 CHO 201 -3.982 2.924 -0.689 1017 H22 CHO 201 H22 CHO 201 -5.646 3.089 -1.319 1018 H3 CHO 201 H3 CHO 201 -6.514 1.798 0.588 1019 HO3 CHO 201 HO3 CHO 201 -4.226 0.486 -0.616 1020 H41 CHO 201 H41 CHO 201 -3.577 1.534 1.377 1021 H42 CHO 201 H42 CHO 201 -4.953 0.735 2.176 1022 H5 CHO 201 H5 CHO 201 -5.916 2.947 2.726 1023 H61 CHO 201 H61 CHO 201 -4.357 1.802 4.299 1024 H62 CHO 201 H62 CHO 201 -4.295 3.577 4.444 1025 H7 CHO 201 H7 CHO 201 -2.033 2.688 4.449 1026 HO7 CHO 201 HO7 CHO 201 -1.279 1.539 2.516 1027 H8 CHO 201 H8 CHO 201 -2.351 4.817 3.343 1028 H9 CHO 201 H9 CHO 201 -2.750 3.156 0.816 1029 H111 CHO 201 H111 CHO 201 -2.777 6.170 1.143 1030 H112 CHO 201 H112 CHO 201 -3.014 5.222 -0.367 1031 H121 CHO 201 H121 CHO 201 -0.719 6.189 -0.184 1032 H122 CHO 201 H122 CHO 201 -0.720 4.421 -0.280 1033 H14 CHO 201 H14 CHO 201 -0.549 2.967 1.834 1034 H151 CHO 201 H151 CHO 201 0.302 3.049 4.145 1035 H152 CHO 201 H152 CHO 201 0.008 4.729 4.329 1036 H161 CHO 201 H161 CHO 201 2.095 3.307 2.604 1037 H162 CHO 201 H162 CHO 201 2.309 4.795 3.500 1038 H17 CHO 201 H17 CHO 201 1.556 4.510 0.706 1039 H181 CHO 201 H181 CHO 201 -0.609 7.314 1.990 1040 H182 CHO 201 H182 CHO 201 0.050 6.462 3.407 1041 H183 CHO 201 H183 CHO 201 -1.661 6.258 2.961 1042 H191 CHO 201 H191 CHO 201 -4.567 6.259 2.029 1043 H192 CHO 201 H192 CHO 201 -3.983 5.359 3.449 1044 H193 CHO 201 H193 CHO 201 -5.708 5.312 3.014 1045 H20 CHO 201 H20 CHO 201 1.664 6.962 2.421 1046 H211 CHO 201 H211 CHO 201 1.258 6.494 -0.496 1047 H212 CHO 201 H212 CHO 201 2.331 7.830 -0.013 1048 H213 CHO 201 H213 CHO 201 0.646 7.791 0.559 1049 H221 CHO 201 H221 CHO 201 3.759 5.592 0.695 1050 H222 CHO 201 H222 CHO 201 3.747 5.705 2.483 1051 H231 CHO 201 H231 CHO 201 3.798 8.205 2.256 1052 H232 CHO 201 H232 CHO 201 4.021 7.980 0.494 1053 HN CHO 201 HN CHO 201 5.387 5.482 2.429 1054 H261 CHO 201 H261 CHO 201 8.092 6.690 2.231 1055 H262 CHO 201 H262 CHO 201 7.741 4.988 1.868 Start of MODEL 15 1 H ALA 1 H ALA 1 -14.868 -6.814 -3.730 2 HA ALA 1 HA ALA 1 -13.669 -9.319 -4.721 3 HB1 ALA 1 HB1 ALA 1 -13.158 -8.162 -6.745 4 HB2 ALA 1 HB2 ALA 1 -13.772 -6.647 -6.086 5 HB3 ALA 1 HB3 ALA 1 -14.883 -7.970 -6.432 6 H PHE 2 H PHE 2 -13.305 -6.638 -2.763 7 HA PHE 2 HA PHE 2 -10.414 -6.516 -3.205 8 HB2 PHE 2 HB2 PHE 2 -12.381 -4.624 -1.978 9 HB3 PHE 2 HB3 PHE 2 -10.687 -4.536 -1.506 10 HD1 PHE 2 HD1 PHE 2 -13.019 -4.243 -4.348 11 HD2 PHE 2 HD2 PHE 2 -9.050 -3.631 -2.949 12 HE1 PHE 2 HE1 PHE 2 -12.514 -2.926 -6.361 13 HE2 PHE 2 HE2 PHE 2 -8.537 -2.318 -4.959 14 HZ PHE 2 HZ PHE 2 -10.276 -1.956 -6.668 15 H THR 3 H THR 3 -12.755 -7.715 -1.023 16 HA THR 3 HA THR 3 -11.266 -7.706 1.379 17 HB THR 3 HB THR 3 -13.188 -9.908 0.797 18 HG1 THR 3 HG1 THR 3 -14.934 -8.458 0.995 19 HG21 THR 3 HG21 THR 3 -12.199 -9.660 3.027 20 HG22 THR 3 HG22 THR 3 -13.946 -9.397 3.069 21 HG23 THR 3 HG23 THR 3 -12.841 -8.021 3.131 22 H GLY 4 H GLY 4 -10.117 -9.387 2.391 23 HA2 GLY 4 HA2 GLY 4 -9.491 -11.815 2.199 24 HA3 GLY 4 HA3 GLY 4 -9.123 -11.435 0.527 25 H LYS 5 H LYS 5 -7.180 -12.584 1.947 26 HA LYS 5 HA LYS 5 -5.424 -10.421 2.837 27 HB2 LYS 5 HB2 LYS 5 -4.323 -11.920 4.130 28 HB3 LYS 5 HB3 LYS 5 -5.795 -12.866 3.939 29 HG2 LYS 5 HG2 LYS 5 -4.736 -13.969 1.973 30 HG3 LYS 5 HG3 LYS 5 -3.242 -13.124 2.372 31 HD2 LYS 5 HD2 LYS 5 -4.639 -14.806 4.420 32 HD3 LYS 5 HD3 LYS 5 -3.584 -15.546 3.215 33 HE2 LYS 5 HE2 LYS 5 -2.083 -13.437 4.126 34 HE3 LYS 5 HE3 LYS 5 -2.923 -13.979 5.579 35 HZ1 LYS 5 HZ1 LYS 5 -1.067 -15.494 3.843 36 HZ2 LYS 5 HZ2 LYS 5 -2.155 -16.289 4.876 37 HZ3 LYS 5 HZ3 LYS 5 -0.995 -15.241 5.516 38 H TYR 6 H TYR 6 -3.450 -10.013 1.846 39 HA TYR 6 HA TYR 6 -3.025 -11.379 -0.715 40 HB2 TYR 6 HB2 TYR 6 -2.740 -8.408 -0.234 41 HB3 TYR 6 HB3 TYR 6 -2.368 -9.247 -1.734 42 HD1 TYR 6 HD1 TYR 6 -5.052 -8.054 0.454 43 HD2 TYR 6 HD2 TYR 6 -4.133 -10.025 -3.200 44 HE1 TYR 6 HE1 TYR 6 -7.378 -7.760 -0.283 45 HE2 TYR 6 HE2 TYR 6 -6.457 -9.723 -3.952 46 HH TYR 6 HH TYR 6 -8.765 -7.855 -2.057 47 H GLU 7 H GLU 7 -0.953 -11.819 -1.252 48 HA GLU 7 HA GLU 7 1.130 -10.936 0.630 49 HB2 GLU 7 HB2 GLU 7 0.538 -13.713 -0.358 50 HB3 GLU 7 HB3 GLU 7 2.159 -13.267 0.166 51 HG2 GLU 7 HG2 GLU 7 1.313 -12.669 2.355 52 HG3 GLU 7 HG3 GLU 7 -0.332 -13.049 1.843 53 H PHE 8 H PHE 8 3.288 -11.026 -0.234 54 HA PHE 8 HA PHE 8 3.603 -9.654 -2.592 55 HB2 PHE 8 HB2 PHE 8 5.360 -9.662 -0.960 56 HB3 PHE 8 HB3 PHE 8 5.559 -11.407 -1.091 57 HD1 PHE 8 HD1 PHE 8 5.430 -8.613 -3.580 58 HD2 PHE 8 HD2 PHE 8 7.582 -11.936 -2.018 59 HE1 PHE 8 HE1 PHE 8 7.164 -8.292 -5.293 60 HE2 PHE 8 HE2 PHE 8 9.321 -11.616 -3.728 61 HZ PHE 8 HZ PHE 8 9.113 -9.794 -5.365 62 H GLU 9 H GLU 9 3.435 -10.160 -4.648 63 HA GLU 9 HA GLU 9 3.879 -12.953 -5.476 64 HB2 GLU 9 HB2 GLU 9 1.490 -12.313 -5.588 65 HB3 GLU 9 HB3 GLU 9 1.912 -10.990 -6.669 66 HG2 GLU 9 HG2 GLU 9 1.377 -12.490 -8.257 67 HG3 GLU 9 HG3 GLU 9 3.035 -13.025 -7.999 68 H SER 10 H SER 10 3.706 -9.617 -6.671 69 HA SER 10 HA SER 10 6.264 -9.937 -7.995 70 HB2 SER 10 HB2 SER 10 3.692 -9.494 -9.499 71 HB3 SER 10 HB3 SER 10 5.249 -9.047 -10.164 72 HG SER 10 HG SER 10 4.944 -11.623 -9.128 73 H ASP 11 H ASP 11 7.083 -7.874 -8.861 74 HA ASP 11 HA ASP 11 5.717 -5.458 -8.089 75 HB2 ASP 11 HB2 ASP 11 7.345 -4.606 -6.565 76 HB3 ASP 11 HB3 ASP 11 6.925 -6.216 -5.992 77 H GLU 12 H GLU 12 6.768 -3.547 -8.912 78 HA GLU 12 HA GLU 12 8.968 -3.989 -10.763 79 HB2 GLU 12 HB2 GLU 12 7.155 -4.458 -12.216 80 HB3 GLU 12 HB3 GLU 12 6.202 -3.140 -11.564 81 HG2 GLU 12 HG2 GLU 12 7.322 -1.544 -12.779 82 HG3 GLU 12 HG3 GLU 12 8.773 -2.533 -12.932 83 H ASN 13 H ASN 13 10.182 -2.218 -11.095 84 HA ASN 13 HA ASN 13 11.121 -0.182 -10.740 85 HB2 ASN 13 HB2 ASN 13 8.217 0.641 -10.561 86 HB3 ASN 13 HB3 ASN 13 9.548 1.790 -10.497 87 HD21 ASN 13 HD21 ASN 13 7.394 1.542 -12.413 88 HD22 ASN 13 HD22 ASN 13 8.139 1.304 -13.959 89 H TYR 14 H TYR 14 10.745 -1.985 -8.525 90 HA TYR 14 HA TYR 14 9.893 -0.635 -6.207 91 HB2 TYR 14 HB2 TYR 14 10.353 -3.143 -6.485 92 HB3 TYR 14 HB3 TYR 14 12.048 -2.746 -6.225 93 HD1 TYR 14 HD1 TYR 14 12.640 -1.494 -4.042 94 HD2 TYR 14 HD2 TYR 14 8.943 -3.515 -4.652 95 HE1 TYR 14 HE1 TYR 14 12.284 -1.557 -1.612 96 HE2 TYR 14 HE2 TYR 14 8.578 -3.583 -2.217 97 HH TYR 14 HH TYR 14 10.152 -3.508 -0.099 98 H ASP 15 H ASP 15 13.215 -1.210 -7.387 99 HA ASP 15 HA ASP 15 14.500 0.365 -5.452 100 HB2 ASP 15 HB2 ASP 15 15.415 -0.213 -8.266 101 HB3 ASP 15 HB3 ASP 15 16.432 0.350 -6.951 102 H ASP 16 H ASP 16 13.277 1.143 -8.663 103 HA ASP 16 HA ASP 16 14.267 3.751 -8.896 104 HB2 ASP 16 HB2 ASP 16 11.610 2.752 -9.933 105 HB3 ASP 16 HB3 ASP 16 12.562 4.088 -10.578 106 H PHE 17 H PHE 17 11.235 2.528 -7.584 107 HA PHE 17 HA PHE 17 10.043 4.967 -6.911 108 HB2 PHE 17 HB2 PHE 17 8.850 2.827 -7.023 109 HB3 PHE 17 HB3 PHE 17 9.748 2.251 -5.622 110 HD1 PHE 17 HD1 PHE 17 7.447 4.993 -6.660 111 HD2 PHE 17 HD2 PHE 17 8.839 2.465 -3.534 112 HE1 PHE 17 HE1 PHE 17 5.677 5.858 -5.186 113 HE2 PHE 17 HE2 PHE 17 7.077 3.325 -2.050 114 HZ PHE 17 HZ PHE 17 5.492 5.018 -2.873 115 H VAL 18 H VAL 18 11.786 2.678 -4.808 116 HA VAL 18 HA VAL 18 11.689 4.283 -2.518 117 HB VAL 18 HB VAL 18 13.484 2.854 -1.613 118 HG11 VAL 18 HG11 VAL 18 11.394 1.267 -3.087 119 HG12 VAL 18 HG12 VAL 18 11.092 2.172 -1.604 120 HG13 VAL 18 HG13 VAL 18 12.220 0.815 -1.597 121 HG21 VAL 18 HG21 VAL 18 13.536 1.752 -4.414 122 HG22 VAL 18 HG22 VAL 18 14.233 0.930 -3.015 123 HG23 VAL 18 HG23 VAL 18 14.870 2.493 -3.525 124 H LYS 19 H LYS 19 14.101 4.153 -5.121 125 HA LYS 19 HA LYS 19 15.926 5.897 -3.766 126 HB2 LYS 19 HB2 LYS 19 15.695 4.840 -6.559 127 HB3 LYS 19 HB3 LYS 19 16.815 6.155 -6.215 128 HG2 LYS 19 HG2 LYS 19 16.825 3.561 -4.693 129 HG3 LYS 19 HG3 LYS 19 17.783 3.832 -6.152 130 HD2 LYS 19 HD2 LYS 19 19.222 5.262 -5.114 131 HD3 LYS 19 HD3 LYS 19 17.992 5.876 -4.013 132 HE2 LYS 19 HE2 LYS 19 18.099 3.748 -2.768 133 HE3 LYS 19 HE3 LYS 19 19.401 3.221 -3.831 134 HZ1 LYS 19 HZ1 LYS 19 20.421 4.072 -1.910 135 HZ2 LYS 19 HZ2 LYS 19 19.446 5.451 -1.884 136 HZ3 LYS 19 HZ3 LYS 19 20.620 5.270 -3.089 137 H LYS 20 H LYS 20 13.080 6.390 -5.621 138 HA LYS 20 HA LYS 20 13.707 9.108 -6.378 139 HB2 LYS 20 HB2 LYS 20 12.191 7.520 -7.664 140 HB3 LYS 20 HB3 LYS 20 10.991 7.794 -6.410 141 HG2 LYS 20 HG2 LYS 20 10.355 9.313 -8.012 142 HG3 LYS 20 HG3 LYS 20 11.368 10.303 -6.958 143 HD2 LYS 20 HD2 LYS 20 13.224 10.133 -8.470 144 HD3 LYS 20 HD3 LYS 20 12.372 8.938 -9.451 145 HE2 LYS 20 HE2 LYS 20 10.579 10.830 -9.663 146 HE3 LYS 20 HE3 LYS 20 11.931 11.878 -9.230 147 HZ1 LYS 20 HZ1 LYS 20 11.808 11.737 -11.595 148 HZ2 LYS 20 HZ2 LYS 20 11.759 10.047 -11.559 149 HZ3 LYS 20 HZ3 LYS 20 13.168 10.860 -11.109 150 H ILE 21 H ILE 21 11.599 7.497 -4.020 151 HA ILE 21 HA ILE 21 10.627 9.960 -2.930 152 HB ILE 21 HB ILE 21 9.678 8.546 -1.113 153 HG12 ILE 21 HG12 ILE 21 10.662 6.184 -2.715 154 HG13 ILE 21 HG13 ILE 21 11.545 6.801 -1.324 155 HG21 ILE 21 HG21 ILE 21 8.083 7.348 -2.597 156 HG22 ILE 21 HG22 ILE 21 9.140 7.719 -3.964 157 HG23 ILE 21 HG23 ILE 21 8.367 9.023 -3.065 158 HD11 ILE 21 HD11 ILE 21 9.618 6.364 0.097 159 HD12 ILE 21 HD12 ILE 21 10.153 4.900 -0.727 160 HD13 ILE 21 HD13 ILE 21 8.721 5.760 -1.296 161 H GLY 22 H GLY 22 13.504 8.237 -2.529 162 HA2 GLY 22 HA2 GLY 22 15.349 8.847 -1.275 163 HA3 GLY 22 HA3 GLY 22 14.365 10.062 -0.476 164 H LEU 23 H LEU 23 13.648 6.623 -0.679 165 HA LEU 23 HA LEU 23 13.215 6.430 2.135 166 HB2 LEU 23 HB2 LEU 23 12.077 5.084 0.312 167 HB3 LEU 23 HB3 LEU 23 13.570 4.188 0.133 168 HG LEU 23 HG LEU 23 13.344 3.416 2.492 169 HD11 LEU 23 HD11 LEU 23 10.494 4.263 2.446 170 HD12 LEU 23 HD12 LEU 23 11.711 5.420 2.982 171 HD13 LEU 23 HD13 LEU 23 11.534 3.871 3.811 172 HD21 LEU 23 HD21 LEU 23 10.943 2.280 1.758 173 HD22 LEU 23 HD22 LEU 23 12.548 1.682 1.345 174 HD23 LEU 23 HD23 LEU 23 11.675 2.723 0.220 175 HA PRO 24 HA PRO 24 17.465 5.716 3.307 176 HB2 PRO 24 HB2 PRO 24 16.986 4.398 5.676 177 HB3 PRO 24 HB3 PRO 24 16.911 6.161 5.490 178 HG2 PRO 24 HG2 PRO 24 14.689 4.182 5.501 179 HG3 PRO 24 HG3 PRO 24 14.788 5.775 6.268 180 HD2 PRO 24 HD2 PRO 24 13.443 5.413 3.986 181 HD3 PRO 24 HD3 PRO 24 14.351 6.905 4.301 182 H ALA 25 H ALA 25 18.892 4.120 2.964 183 HA ALA 25 HA ALA 25 18.239 1.783 1.627 184 HB1 ALA 25 HB1 ALA 25 20.544 1.059 2.126 185 HB2 ALA 25 HB2 ALA 25 20.690 2.396 3.266 186 HB3 ALA 25 HB3 ALA 25 20.460 2.723 1.547 187 H ASP 26 H ASP 26 18.730 2.341 5.044 188 HA ASP 26 HA ASP 26 18.847 -0.255 5.993 189 HB2 ASP 26 HB2 ASP 26 19.326 1.658 7.402 190 HB3 ASP 26 HB3 ASP 26 17.663 2.219 7.265 191 H LYS 27 H LYS 27 16.009 1.712 5.177 192 HA LYS 27 HA LYS 27 14.218 -0.395 6.095 193 HB2 LYS 27 HB2 LYS 27 13.487 2.196 4.741 194 HB3 LYS 27 HB3 LYS 27 12.413 1.123 5.628 195 HG2 LYS 27 HG2 LYS 27 14.683 2.718 6.808 196 HG3 LYS 27 HG3 LYS 27 12.963 3.083 6.951 197 HD2 LYS 27 HD2 LYS 27 12.597 1.011 8.157 198 HD3 LYS 27 HD3 LYS 27 14.293 0.575 7.954 199 HE2 LYS 27 HE2 LYS 27 14.630 2.942 9.113 200 HE3 LYS 27 HE3 LYS 27 13.040 2.555 9.766 201 HZ1 LYS 27 HZ1 LYS 27 15.512 0.932 10.016 202 HZ2 LYS 27 HZ2 LYS 27 13.975 0.409 10.512 203 HZ3 LYS 27 HZ3 LYS 27 14.696 1.744 11.259 204 H ILE 28 H ILE 28 15.503 0.956 3.165 205 HA ILE 28 HA ILE 28 13.711 -0.100 1.293 206 HB ILE 28 HB ILE 28 16.679 0.438 1.057 207 HG12 ILE 28 HG12 ILE 28 14.272 1.949 0.034 208 HG13 ILE 28 HG13 ILE 28 15.299 2.442 1.375 209 HG21 ILE 28 HG21 ILE 28 14.773 -0.174 -1.197 210 HG22 ILE 28 HG22 ILE 28 15.944 -1.313 -0.537 211 HG23 ILE 28 HG23 ILE 28 16.502 0.163 -1.326 212 HD11 ILE 28 HD11 ILE 28 16.071 2.245 -1.525 213 HD12 ILE 28 HD12 ILE 28 17.198 2.578 -0.211 214 HD13 ILE 28 HD13 ILE 28 15.890 3.709 -0.556 215 H GLU 29 H GLU 29 16.866 -1.367 2.334 216 HA GLU 29 HA GLU 29 16.633 -3.827 0.982 217 HB2 GLU 29 HB2 GLU 29 18.329 -3.211 3.401 218 HB3 GLU 29 HB3 GLU 29 18.595 -4.495 2.230 219 HG2 GLU 29 HG2 GLU 29 18.756 -1.541 1.671 220 HG3 GLU 29 HG3 GLU 29 20.118 -2.643 1.855 221 H MET 30 H MET 30 15.620 -2.743 4.125 222 HA MET 30 HA MET 30 15.159 -5.298 5.259 223 HB2 MET 30 HB2 MET 30 15.479 -3.091 6.474 224 HB3 MET 30 HB3 MET 30 13.829 -2.702 6.022 225 HG2 MET 30 HG2 MET 30 14.080 -3.563 8.316 226 HG3 MET 30 HG3 MET 30 12.971 -4.497 7.321 227 HE1 MET 30 HE1 MET 30 14.150 -7.926 7.442 228 HE2 MET 30 HE2 MET 30 13.210 -6.714 6.573 229 HE3 MET 30 HE3 MET 30 12.953 -6.958 8.304 230 H GLY 31 H GLY 31 13.208 -3.118 3.274 231 HA2 GLY 31 HA2 GLY 31 10.913 -4.932 3.659 232 HA3 GLY 31 HA3 GLY 31 10.818 -3.300 3.024 233 H ARG 32 H ARG 32 13.353 -5.215 1.725 234 HA ARG 32 HA ARG 32 11.783 -5.479 -0.748 235 HB2 ARG 32 HB2 ARG 32 13.785 -5.343 -2.015 236 HB3 ARG 32 HB3 ARG 32 13.861 -4.048 -0.830 237 HG2 ARG 32 HG2 ARG 32 15.509 -5.119 0.410 238 HG3 ARG 32 HG3 ARG 32 15.144 -6.693 -0.284 239 HD2 ARG 32 HD2 ARG 32 17.230 -5.872 -1.163 240 HD3 ARG 32 HD3 ARG 32 16.025 -5.931 -2.441 241 HE ARG 32 HE ARG 32 16.873 -3.453 -1.076 242 HH11 ARG 32 HH11 ARG 32 15.777 -5.185 -3.945 243 HH12 ARG 32 HH12 ARG 32 16.004 -3.749 -5.018 244 HH21 ARG 32 HH21 ARG 32 17.168 -1.644 -2.406 245 HH22 ARG 32 HH22 ARG 32 16.771 -1.783 -4.174 246 H ASN 33 H ASN 33 11.592 -7.399 -1.778 247 HA ASN 33 HA ASN 33 11.515 -9.656 -2.058 248 HB2 ASN 33 HB2 ASN 33 14.191 -9.447 -0.680 249 HB3 ASN 33 HB3 ASN 33 13.529 -10.985 -1.224 250 HD21 ASN 33 HD21 ASN 33 15.894 -9.388 -2.022 251 HD22 ASN 33 HD22 ASN 33 15.762 -9.234 -3.740 252 H CYS 34 H CYS 34 10.609 -8.236 0.432 253 HA CYS 34 HA CYS 34 10.535 -10.504 2.276 254 HB2 CYS 34 HB2 CYS 34 10.018 -7.558 2.708 255 HB3 CYS 34 HB3 CYS 34 9.738 -8.779 3.937 256 HG CYS 34 HG CYS 34 12.225 -7.201 4.148 257 H LYS 35 H LYS 35 8.505 -11.092 3.248 258 HA LYS 35 HA LYS 35 6.322 -10.812 1.343 259 HB2 LYS 35 HB2 LYS 35 5.250 -12.592 2.815 260 HB3 LYS 35 HB3 LYS 35 6.678 -13.056 1.910 261 HG2 LYS 35 HG2 LYS 35 8.043 -12.797 3.921 262 HG3 LYS 35 HG3 LYS 35 6.606 -12.337 4.836 263 HD2 LYS 35 HD2 LYS 35 7.107 -14.993 3.480 264 HD3 LYS 35 HD3 LYS 35 7.123 -14.681 5.217 265 HE2 LYS 35 HE2 LYS 35 4.731 -14.003 5.056 266 HE3 LYS 35 HE3 LYS 35 4.753 -14.477 3.356 267 HZ1 LYS 35 HZ1 LYS 35 3.876 -16.168 4.977 268 HZ2 LYS 35 HZ2 LYS 35 5.459 -16.350 5.536 269 HZ3 LYS 35 HZ3 LYS 35 5.083 -16.716 3.933 270 H ILE 36 H ILE 36 5.512 -8.764 1.722 271 HA ILE 36 HA ILE 36 4.569 -8.110 4.398 272 HB ILE 36 HB ILE 36 4.626 -6.542 1.816 273 HG12 ILE 36 HG12 ILE 36 5.887 -4.944 3.391 274 HG13 ILE 36 HG13 ILE 36 5.978 -6.312 4.495 275 HG21 ILE 36 HG21 ILE 36 2.491 -6.110 3.005 276 HG22 ILE 36 HG22 ILE 36 3.538 -4.694 2.918 277 HG23 ILE 36 HG23 ILE 36 3.422 -5.611 4.418 278 HD11 ILE 36 HD11 ILE 36 8.005 -6.096 3.200 279 HD12 ILE 36 HD12 ILE 36 7.086 -6.211 1.700 280 HD13 ILE 36 HD13 ILE 36 7.167 -7.593 2.798 281 H VAL 37 H VAL 37 2.697 -8.936 4.998 282 HA VAL 37 HA VAL 37 0.780 -9.835 3.015 283 HB VAL 37 HB VAL 37 0.225 -9.906 5.958 284 HG11 VAL 37 HG11 VAL 37 -0.949 -11.948 5.398 285 HG12 VAL 37 HG12 VAL 37 -0.399 -11.825 3.726 286 HG13 VAL 37 HG13 VAL 37 -1.505 -10.618 4.383 287 HG21 VAL 37 HG21 VAL 37 1.370 -12.158 5.980 288 HG22 VAL 37 HG22 VAL 37 2.436 -10.754 5.951 289 HG23 VAL 37 HG23 VAL 37 2.152 -11.679 4.476 290 H THR 38 H THR 38 -1.170 -8.953 2.605 291 HA THR 38 HA THR 38 -1.889 -6.507 4.078 292 HB THR 38 HB THR 38 -2.390 -7.079 1.152 293 HG1 THR 38 HG1 THR 38 -0.140 -6.629 1.877 294 HG21 THR 38 HG21 THR 38 -2.975 -4.660 1.076 295 HG22 THR 38 HG22 THR 38 -2.863 -4.620 2.836 296 HG23 THR 38 HG23 THR 38 -4.084 -5.621 2.055 297 H GLU 39 H GLU 39 -3.517 -7.156 5.383 298 HA GLU 39 HA GLU 39 -5.523 -9.012 4.326 299 HB2 GLU 39 HB2 GLU 39 -4.964 -8.014 7.117 300 HB3 GLU 39 HB3 GLU 39 -6.382 -8.972 6.716 301 HG2 GLU 39 HG2 GLU 39 -4.831 -10.729 5.847 302 HG3 GLU 39 HG3 GLU 39 -3.500 -9.791 6.526 303 H VAL 40 H VAL 40 -7.327 -8.271 3.481 304 HA VAL 40 HA VAL 40 -8.213 -5.559 4.220 305 HB VAL 40 HB VAL 40 -8.751 -7.073 1.660 306 HG11 VAL 40 HG11 VAL 40 -9.654 -4.952 0.839 307 HG12 VAL 40 HG12 VAL 40 -9.407 -4.235 2.433 308 HG13 VAL 40 HG13 VAL 40 -10.556 -5.558 2.226 309 HG21 VAL 40 HG21 VAL 40 -7.189 -5.596 0.593 310 HG22 VAL 40 HG22 VAL 40 -6.385 -6.342 1.974 311 HG23 VAL 40 HG23 VAL 40 -6.964 -4.680 2.084 312 H VAL 41 H VAL 41 -10.114 -5.354 5.170 313 HA VAL 41 HA VAL 41 -12.047 -7.570 4.994 314 HB VAL 41 HB VAL 41 -11.738 -5.604 7.279 315 HG11 VAL 41 HG11 VAL 41 -13.996 -6.277 7.186 316 HG12 VAL 41 HG12 VAL 41 -13.251 -7.306 8.408 317 HG13 VAL 41 HG13 VAL 41 -13.564 -7.944 6.796 318 HG21 VAL 41 HG21 VAL 41 -11.087 -8.542 7.331 319 HG22 VAL 41 HG22 VAL 41 -10.740 -7.332 8.564 320 HG23 VAL 41 HG23 VAL 41 -9.874 -7.299 7.028 321 H GLN 42 H GLN 42 -14.010 -7.043 4.171 322 HA GLN 42 HA GLN 42 -14.401 -4.271 3.351 323 HB2 GLN 42 HB2 GLN 42 -14.603 -6.007 1.658 324 HB3 GLN 42 HB3 GLN 42 -15.865 -6.796 2.588 325 HG2 GLN 42 HG2 GLN 42 -17.366 -4.962 2.229 326 HG3 GLN 42 HG3 GLN 42 -16.090 -4.019 1.456 327 HE21 GLN 42 HE21 GLN 42 -18.155 -6.826 1.147 328 HE22 GLN 42 HE22 GLN 42 -18.024 -6.965 -0.571 329 H ASN 43 H ASN 43 -15.426 -3.005 4.706 330 HA ASN 43 HA ASN 43 -17.829 -4.037 6.070 331 HB2 ASN 43 HB2 ASN 43 -16.073 -3.450 7.673 332 HB3 ASN 43 HB3 ASN 43 -15.921 -1.852 6.955 333 HD21 ASN 43 HD21 ASN 43 -16.499 -0.630 8.648 334 HD22 ASN 43 HD22 ASN 43 -18.056 -0.676 9.403 335 H GLY 44 H GLY 44 -18.833 -3.498 3.977 336 HA2 GLY 44 HA2 GLY 44 -20.288 -2.156 2.817 337 HA3 GLY 44 HA3 GLY 44 -20.084 -0.940 4.073 338 H ASN 45 H ASN 45 -18.717 0.732 3.757 339 HA ASN 45 HA ASN 45 -17.266 0.773 1.193 340 HB2 ASN 45 HB2 ASN 45 -19.003 2.749 2.495 341 HB3 ASN 45 HB3 ASN 45 -17.469 3.414 1.941 342 HD21 ASN 45 HD21 ASN 45 -19.012 0.696 0.399 343 HD22 ASN 45 HD22 ASN 45 -19.442 1.524 -1.064 344 H ASP 46 H ASP 46 -16.776 0.192 4.258 345 HA ASP 46 HA ASP 46 -14.332 1.793 4.535 346 HB2 ASP 46 HB2 ASP 46 -15.864 1.966 6.433 347 HB3 ASP 46 HB3 ASP 46 -15.883 0.215 6.602 348 H PHE 47 H PHE 47 -12.597 0.820 3.781 349 HA PHE 47 HA PHE 47 -12.403 -2.100 4.031 350 HB2 PHE 47 HB2 PHE 47 -11.086 -0.204 2.071 351 HB3 PHE 47 HB3 PHE 47 -10.689 -1.914 2.201 352 HD1 PHE 47 HD1 PHE 47 -13.333 0.487 1.320 353 HD2 PHE 47 HD2 PHE 47 -12.077 -3.576 1.247 354 HE1 PHE 47 HE1 PHE 47 -15.176 -0.055 -0.218 355 HE2 PHE 47 HE2 PHE 47 -13.912 -4.120 -0.288 356 HZ PHE 47 HZ PHE 47 -15.470 -2.355 -1.020 357 H THR 48 H THR 48 -10.768 -2.968 5.159 358 HA THR 48 HA THR 48 -8.980 -1.101 6.514 359 HB THR 48 HB THR 48 -8.564 -3.551 7.686 360 HG1 THR 48 HG1 THR 48 -11.365 -3.408 7.472 361 HG21 THR 48 HG21 THR 48 -10.518 -1.352 8.341 362 HG22 THR 48 HG22 THR 48 -8.866 -1.539 8.934 363 HG23 THR 48 HG23 THR 48 -10.122 -2.663 9.449 364 H TRP 49 H TRP 49 -6.969 -0.897 5.851 365 HA TRP 49 HA TRP 49 -5.785 -3.055 4.254 366 HB2 TRP 49 HB2 TRP 49 -5.771 -0.235 3.980 367 HB3 TRP 49 HB3 TRP 49 -4.129 -0.696 4.414 368 HD1 TRP 49 HD1 TRP 49 -2.647 -1.288 2.426 369 HE1 TRP 49 HE1 TRP 49 -3.013 -2.066 -0.008 370 HE3 TRP 49 HE3 TRP 49 -7.740 -1.775 2.496 371 HZ2 TRP 49 HZ2 TRP 49 -5.167 -2.799 -1.655 372 HZ3 TRP 49 HZ3 TRP 49 -8.875 -2.520 0.437 373 HH2 TRP 49 HH2 TRP 49 -7.612 -3.018 -1.591 374 H THR 50 H THR 50 -4.864 -4.475 5.609 375 HA THR 50 HA THR 50 -3.275 -3.458 7.863 376 HB THR 50 HB THR 50 -4.028 -6.338 7.457 377 HG1 THR 50 HG1 THR 50 -6.000 -5.339 7.399 378 HG21 THR 50 HG21 THR 50 -4.013 -6.250 9.983 379 HG22 THR 50 HG22 THR 50 -3.347 -4.624 9.840 380 HG23 THR 50 HG23 THR 50 -2.448 -6.004 9.209 381 H GLN 51 H GLN 51 -1.162 -3.303 7.461 382 HA GLN 51 HA GLN 51 0.067 -5.154 5.534 383 HB2 GLN 51 HB2 GLN 51 0.838 -2.459 6.599 384 HB3 GLN 51 HB3 GLN 51 2.083 -3.538 5.985 385 HG2 GLN 51 HG2 GLN 51 1.456 -2.040 4.246 386 HG3 GLN 51 HG3 GLN 51 0.863 -3.648 3.836 387 HE21 GLN 51 HE21 GLN 51 -1.287 -3.982 3.608 388 HE22 GLN 51 HE22 GLN 51 -2.473 -2.734 3.724 389 H HIS 52 H HIS 52 1.059 -6.864 6.318 390 HA HIS 52 HA HIS 52 2.071 -6.770 9.075 391 HB2 HIS 52 HB2 HIS 52 1.374 -9.137 7.316 392 HB3 HIS 52 HB3 HIS 52 2.081 -9.268 8.921 393 HD2 HIS 52 HD2 HIS 52 -1.308 -9.223 7.309 394 HE1 HIS 52 HE1 HIS 52 -1.880 -8.186 11.370 395 HE2 HIS 52 HE2 HIS 52 -2.987 -9.114 9.285 396 H PHE 53 H PHE 53 4.144 -6.917 9.488 397 HA PHE 53 HA PHE 53 5.944 -7.388 7.203 398 HB2 PHE 53 HB2 PHE 53 5.924 -5.147 8.557 399 HB3 PHE 53 HB3 PHE 53 6.806 -6.079 9.757 400 HD1 PHE 53 HD1 PHE 53 6.869 -5.599 6.076 401 HD2 PHE 53 HD2 PHE 53 9.066 -5.890 9.690 402 HE1 PHE 53 HE1 PHE 53 8.966 -5.213 4.832 403 HE2 PHE 53 HE2 PHE 53 11.158 -5.503 8.475 404 HZ PHE 53 HZ PHE 53 11.112 -5.164 6.035 405 HA PRO 54 HA PRO 54 7.081 -11.127 9.293 406 HB2 PRO 54 HB2 PRO 54 9.334 -11.672 7.831 407 HB3 PRO 54 HB3 PRO 54 7.687 -11.956 7.218 408 HG2 PRO 54 HG2 PRO 54 9.546 -9.695 6.652 409 HG3 PRO 54 HG3 PRO 54 8.460 -10.574 5.557 410 HD2 PRO 54 HD2 PRO 54 7.853 -8.148 6.587 411 HD3 PRO 54 HD3 PRO 54 6.624 -9.362 6.183 412 H GLY 55 H GLY 55 7.822 -10.864 11.306 413 HA2 GLY 55 HA2 GLY 55 9.329 -10.634 13.023 414 HA3 GLY 55 HA3 GLY 55 10.599 -10.511 11.818 415 H GLY 56 H GLY 56 7.867 -8.305 11.823 416 HA2 GLY 56 HA2 GLY 56 9.456 -6.263 13.177 417 HA3 GLY 56 HA3 GLY 56 9.055 -5.963 11.500 418 H ARG 57 H ARG 57 8.104 -4.048 12.494 419 HA ARG 57 HA ARG 57 5.757 -4.259 14.107 420 HB2 ARG 57 HB2 ARG 57 5.492 -1.802 13.545 421 HB3 ARG 57 HB3 ARG 57 6.981 -2.243 14.359 422 HG2 ARG 57 HG2 ARG 57 7.806 -0.848 12.761 423 HG3 ARG 57 HG3 ARG 57 7.900 -2.377 11.893 424 HD2 ARG 57 HD2 ARG 57 5.577 -1.799 10.981 425 HD3 ARG 57 HD3 ARG 57 5.900 -0.160 11.558 426 HE ARG 57 HE ARG 57 7.478 0.104 9.905 427 HH11 ARG 57 HH11 ARG 57 6.342 -3.223 10.039 428 HH12 ARG 57 HH12 ARG 57 7.202 -3.686 8.526 429 HH21 ARG 57 HH21 ARG 57 8.578 -0.469 8.000 430 HH22 ARG 57 HH22 ARG 57 8.443 -2.157 7.388 431 H THR 58 H THR 58 3.631 -3.825 13.552 432 HA THR 58 HA THR 58 3.033 -4.372 10.736 433 HB THR 58 HB THR 58 2.086 -5.924 12.421 434 HG1 THR 58 HG1 THR 58 0.818 -5.964 10.683 435 HG21 THR 58 HG21 THR 58 0.572 -3.489 13.332 436 HG22 THR 58 HG22 THR 58 1.691 -4.464 14.286 437 HG23 THR 58 HG23 THR 58 0.147 -5.141 13.766 438 H THR 59 H THR 59 1.346 -3.158 9.705 439 HA THR 59 HA THR 59 0.783 -0.554 10.946 440 HB THR 59 HB THR 59 1.403 -0.773 8.008 441 HG1 THR 59 HG1 THR 59 3.165 -0.707 10.198 442 HG21 THR 59 HG21 THR 59 1.581 1.514 9.971 443 HG22 THR 59 HG22 THR 59 0.250 1.236 8.849 444 HG23 THR 59 HG23 THR 59 1.862 1.609 8.235 445 H THR 60 H THR 60 -1.367 -0.391 11.110 446 HA THR 60 HA THR 60 -2.995 -1.486 8.920 447 HB THR 60 HB THR 60 -3.987 -1.315 11.747 448 HG1 THR 60 HG1 THR 60 -2.103 -3.016 10.743 449 HG21 THR 60 HG21 THR 60 -4.772 -3.074 9.420 450 HG22 THR 60 HG22 THR 60 -5.612 -1.605 9.910 451 HG23 THR 60 HG23 THR 60 -5.567 -2.998 10.991 452 H ASN 61 H ASN 61 -4.286 -0.094 7.948 453 HA ASN 61 HA ASN 61 -5.293 2.213 9.442 454 HB2 ASN 61 HB2 ASN 61 -5.030 3.418 7.065 455 HB3 ASN 61 HB3 ASN 61 -3.778 3.482 8.293 456 HD21 ASN 61 HD21 ASN 61 -4.629 0.820 6.105 457 HD22 ASN 61 HD22 ASN 61 -3.084 0.752 5.329 458 H SER 62 H SER 62 -7.356 2.357 9.336 459 HA SER 62 HA SER 62 -8.824 0.830 7.321 460 HB2 SER 62 HB2 SER 62 -10.742 1.177 8.858 461 HB3 SER 62 HB3 SER 62 -9.370 0.436 9.681 462 HG SER 62 HG SER 62 -9.590 3.227 9.670 463 H PHE 63 H PHE 63 -10.009 1.849 5.754 464 HA PHE 63 HA PHE 63 -10.428 4.732 6.073 465 HB2 PHE 63 HB2 PHE 63 -9.822 5.122 3.720 466 HB3 PHE 63 HB3 PHE 63 -8.461 4.517 4.659 467 HD1 PHE 63 HD1 PHE 63 -10.856 3.765 2.002 468 HD2 PHE 63 HD2 PHE 63 -7.560 2.317 4.263 469 HE1 PHE 63 HE1 PHE 63 -10.549 1.945 0.377 470 HE2 PHE 63 HE2 PHE 63 -7.239 0.496 2.644 471 HZ PHE 63 HZ PHE 63 -8.735 0.305 0.693 472 H THR 64 H THR 64 -12.279 5.494 5.368 473 HA THR 64 HA THR 64 -14.175 3.601 4.176 474 HB THR 64 HB THR 64 -14.659 6.133 5.766 475 HG1 THR 64 HG1 THR 64 -14.186 3.666 6.584 476 HG21 THR 64 HG21 THR 64 -17.052 5.452 5.700 477 HG22 THR 64 HG22 THR 64 -16.628 4.221 4.509 478 HG23 THR 64 HG23 THR 64 -16.407 5.934 4.131 479 H ILE 65 H ILE 65 -14.764 3.962 2.108 480 HA ILE 65 HA ILE 65 -13.647 5.900 0.492 481 HB ILE 65 HB ILE 65 -16.335 4.596 0.042 482 HG12 ILE 65 HG12 ILE 65 -14.595 2.927 0.464 483 HG13 ILE 65 HG13 ILE 65 -15.073 2.900 -1.228 484 HG21 ILE 65 HG21 ILE 65 -15.938 6.495 -1.427 485 HG22 ILE 65 HG22 ILE 65 -15.852 4.983 -2.334 486 HG23 ILE 65 HG23 ILE 65 -14.370 5.827 -1.885 487 HD11 ILE 65 HD11 ILE 65 -12.586 4.167 -0.100 488 HD12 ILE 65 HD12 ILE 65 -13.070 4.204 -1.795 489 HD13 ILE 65 HD13 ILE 65 -12.682 2.667 -1.023 490 H ASP 66 H ASP 66 -13.956 7.950 0.128 491 HA ASP 66 HA ASP 66 -14.799 10.048 0.085 492 HB2 ASP 66 HB2 ASP 66 -16.932 8.754 -0.711 493 HB3 ASP 66 HB3 ASP 66 -17.527 9.109 0.906 494 H LYS 67 H LYS 67 -13.851 8.630 2.483 495 HA LYS 67 HA LYS 67 -14.780 10.584 4.458 496 HB2 LYS 67 HB2 LYS 67 -15.994 8.679 5.085 497 HB3 LYS 67 HB3 LYS 67 -14.650 7.610 4.714 498 HG2 LYS 67 HG2 LYS 67 -14.864 7.705 7.067 499 HG3 LYS 67 HG3 LYS 67 -13.422 8.626 6.645 500 HD2 LYS 67 HD2 LYS 67 -14.882 10.693 6.735 501 HD3 LYS 67 HD3 LYS 67 -16.136 9.675 7.456 502 HE2 LYS 67 HE2 LYS 67 -14.473 9.034 9.213 503 HE3 LYS 67 HE3 LYS 67 -13.373 10.229 8.528 504 HZ1 LYS 67 HZ1 LYS 67 -14.512 11.161 10.390 505 HZ2 LYS 67 HZ2 LYS 67 -16.022 10.747 9.752 506 HZ3 LYS 67 HZ3 LYS 67 -15.077 11.922 8.990 507 H GLU 68 H GLU 68 -13.161 11.374 5.782 508 HA GLU 68 HA GLU 68 -10.465 10.949 5.012 509 HB2 GLU 68 HB2 GLU 68 -9.961 12.442 6.947 510 HB3 GLU 68 HB3 GLU 68 -11.162 13.097 5.846 511 HG2 GLU 68 HG2 GLU 68 -12.222 13.586 7.759 512 HG3 GLU 68 HG3 GLU 68 -12.809 11.935 7.581 513 H ALA 69 H ALA 69 -8.925 9.644 5.919 514 HA ALA 69 HA ALA 69 -9.808 7.998 8.196 515 HB1 ALA 69 HB1 ALA 69 -9.933 6.790 6.022 516 HB2 ALA 69 HB2 ALA 69 -8.853 6.046 7.202 517 HB3 ALA 69 HB3 ALA 69 -8.189 6.988 5.868 518 H ASP 70 H ASP 70 -8.313 7.439 9.692 519 HA ASP 70 HA ASP 70 -5.921 9.052 9.823 520 HB2 ASP 70 HB2 ASP 70 -6.738 6.834 11.716 521 HB3 ASP 70 HB3 ASP 70 -5.648 8.172 12.045 522 H MET 71 H MET 71 -4.098 8.442 8.854 523 HA MET 71 HA MET 71 -3.633 5.558 8.513 524 HB2 MET 71 HB2 MET 71 -2.755 7.768 6.668 525 HB3 MET 71 HB3 MET 71 -2.495 6.042 6.432 526 HG2 MET 71 HG2 MET 71 -4.691 5.640 5.921 527 HG3 MET 71 HG3 MET 71 -5.263 7.073 6.769 528 HE1 MET 71 HE1 MET 71 -6.466 7.999 3.299 529 HE2 MET 71 HE2 MET 71 -6.727 8.295 5.021 530 HE3 MET 71 HE3 MET 71 -6.674 6.640 4.411 531 H GLU 72 H GLU 72 -1.384 4.957 8.252 532 HA GLU 72 HA GLU 72 0.668 6.748 9.201 533 HB2 GLU 72 HB2 GLU 72 -0.062 5.979 11.353 534 HB3 GLU 72 HB3 GLU 72 -0.235 4.325 10.782 535 HG2 GLU 72 HG2 GLU 72 1.995 3.886 10.945 536 HG3 GLU 72 HG3 GLU 72 2.458 5.561 10.644 537 H THR 73 H THR 73 2.718 6.009 8.542 538 HA THR 73 HA THR 73 2.594 3.759 6.663 539 HB THR 73 HB THR 73 4.480 4.665 5.532 540 HG1 THR 73 HG1 THR 73 5.839 6.089 6.425 541 HG21 THR 73 HG21 THR 73 2.216 5.855 5.296 542 HG22 THR 73 HG22 THR 73 3.651 6.704 4.722 543 HG23 THR 73 HG23 THR 73 2.945 7.130 6.273 544 H MET 74 H MET 74 4.622 2.504 6.462 545 HA MET 74 HA MET 74 5.364 1.308 8.863 546 HB2 MET 74 HB2 MET 74 6.544 1.229 6.093 547 HB3 MET 74 HB3 MET 74 7.168 0.257 7.413 548 HG2 MET 74 HG2 MET 74 4.902 -0.755 7.649 549 HG3 MET 74 HG3 MET 74 4.427 0.111 6.188 550 HE1 MET 74 HE1 MET 74 3.686 -2.303 5.286 551 HE2 MET 74 HE2 MET 74 4.336 -3.122 6.705 552 HE3 MET 74 HE3 MET 74 4.792 -3.663 5.088 553 H GLY 75 H GLY 75 6.409 4.179 7.377 554 HA2 GLY 75 HA2 GLY 75 9.056 4.181 8.571 555 HA3 GLY 75 HA3 GLY 75 8.351 5.439 7.570 556 H GLY 76 H GLY 76 5.930 4.936 9.586 557 HA2 GLY 76 HA2 GLY 76 5.430 5.608 11.790 558 HA3 GLY 76 HA3 GLY 76 7.017 6.348 11.906 559 H ARG 77 H ARG 77 4.849 6.936 9.210 560 HA ARG 77 HA ARG 77 4.790 9.756 9.940 561 HB2 ARG 77 HB2 ARG 77 3.577 8.477 7.491 562 HB3 ARG 77 HB3 ARG 77 3.976 10.167 7.729 563 HG2 ARG 77 HG2 ARG 77 6.316 9.684 7.662 564 HG3 ARG 77 HG3 ARG 77 6.003 7.953 7.612 565 HD2 ARG 77 HD2 ARG 77 6.027 8.097 5.395 566 HD3 ARG 77 HD3 ARG 77 4.524 9.003 5.507 567 HE ARG 77 HE ARG 77 5.759 11.021 5.340 568 HH11 ARG 77 HH11 ARG 77 7.676 8.105 4.853 569 HH12 ARG 77 HH12 ARG 77 9.001 8.989 4.012 570 HH21 ARG 77 HH21 ARG 77 7.436 12.171 4.286 571 HH22 ARG 77 HH22 ARG 77 8.877 11.252 3.710 572 H LYS 78 H LYS 78 3.149 10.632 10.994 573 HA LYS 78 HA LYS 78 0.599 9.197 11.191 574 HB2 LYS 78 HB2 LYS 78 1.393 11.713 12.671 575 HB3 LYS 78 HB3 LYS 78 0.121 10.577 13.090 576 HG2 LYS 78 HG2 LYS 78 3.027 9.832 13.094 577 HG3 LYS 78 HG3 LYS 78 2.206 10.516 14.500 578 HD2 LYS 78 HD2 LYS 78 0.521 8.623 14.233 579 HD3 LYS 78 HD3 LYS 78 1.675 7.900 13.110 580 HE2 LYS 78 HE2 LYS 78 3.385 7.947 14.883 581 HE3 LYS 78 HE3 LYS 78 2.185 8.592 16.004 582 HZ1 LYS 78 HZ1 LYS 78 0.877 6.573 15.666 583 HZ2 LYS 78 HZ2 LYS 78 2.417 6.220 16.273 584 HZ3 LYS 78 HZ3 LYS 78 2.072 5.957 14.634 585 H PHE 79 H PHE 79 -1.028 9.808 9.880 586 HA PHE 79 HA PHE 79 -1.525 12.577 9.300 587 HB2 PHE 79 HB2 PHE 79 -1.168 12.465 6.882 588 HB3 PHE 79 HB3 PHE 79 0.325 12.076 7.734 589 HD1 PHE 79 HD1 PHE 79 1.039 9.718 7.950 590 HD2 PHE 79 HD2 PHE 79 -2.153 10.903 5.400 591 HE1 PHE 79 HE1 PHE 79 1.217 7.587 6.754 592 HE2 PHE 79 HE2 PHE 79 -1.983 8.765 4.190 593 HZ PHE 79 HZ PHE 79 -0.298 7.097 4.868 594 H LYS 80 H LYS 80 -3.241 12.726 7.505 595 HA LYS 80 HA LYS 80 -5.053 10.440 7.486 596 HB2 LYS 80 HB2 LYS 80 -5.777 13.214 8.437 597 HB3 LYS 80 HB3 LYS 80 -6.965 11.994 7.996 598 HG2 LYS 80 HG2 LYS 80 -6.766 10.946 9.939 599 HG3 LYS 80 HG3 LYS 80 -5.006 10.986 9.872 600 HD2 LYS 80 HD2 LYS 80 -5.594 12.220 11.785 601 HD3 LYS 80 HD3 LYS 80 -5.186 13.420 10.557 602 HE2 LYS 80 HE2 LYS 80 -7.233 13.991 11.831 603 HE3 LYS 80 HE3 LYS 80 -7.522 13.813 10.100 604 HZ1 LYS 80 HZ1 LYS 80 -7.878 11.365 11.579 605 HZ2 LYS 80 HZ2 LYS 80 -8.910 12.104 10.443 606 HZ3 LYS 80 HZ3 LYS 80 -8.938 12.596 12.063 607 H ALA 81 H ALA 81 -6.330 10.328 5.681 608 HA ALA 81 HA ALA 81 -6.260 12.524 3.767 609 HB1 ALA 81 HB1 ALA 81 -5.278 9.745 3.112 610 HB2 ALA 81 HB2 ALA 81 -4.300 11.211 3.192 611 HB3 ALA 81 HB3 ALA 81 -5.533 11.042 1.943 612 H THR 82 H THR 82 -7.773 12.151 1.953 613 HA THR 82 HA THR 82 -10.058 10.556 2.879 614 HB THR 82 HB THR 82 -10.242 12.621 0.699 615 HG1 THR 82 HG1 THR 82 -9.432 13.179 3.133 616 HG21 THR 82 HG21 THR 82 -12.155 11.159 1.019 617 HG22 THR 82 HG22 THR 82 -12.560 12.783 1.574 618 HG23 THR 82 HG23 THR 82 -12.179 11.521 2.746 619 H VAL 83 H VAL 83 -10.519 8.747 1.823 620 HA VAL 83 HA VAL 83 -9.179 8.263 -0.748 621 HB VAL 83 HB VAL 83 -10.362 6.276 1.210 622 HG11 VAL 83 HG11 VAL 83 -10.429 5.503 -1.116 623 HG12 VAL 83 HG12 VAL 83 -9.282 4.572 -0.150 624 HG13 VAL 83 HG13 VAL 83 -8.698 5.810 -1.263 625 HG21 VAL 83 HG21 VAL 83 -8.135 5.729 1.849 626 HG22 VAL 83 HG22 VAL 83 -8.299 7.482 1.978 627 HG23 VAL 83 HG23 VAL 83 -7.456 6.773 0.601 628 H LYS 84 H LYS 84 -10.351 7.677 -2.540 629 HA LYS 84 HA LYS 84 -13.274 7.505 -2.232 630 HB2 LYS 84 HB2 LYS 84 -13.493 8.754 -4.377 631 HB3 LYS 84 HB3 LYS 84 -12.783 9.717 -3.084 632 HG2 LYS 84 HG2 LYS 84 -10.532 9.074 -4.046 633 HG3 LYS 84 HG3 LYS 84 -11.423 8.489 -5.451 634 HD2 LYS 84 HD2 LYS 84 -12.314 10.669 -5.872 635 HD3 LYS 84 HD3 LYS 84 -11.635 11.291 -4.365 636 HE2 LYS 84 HE2 LYS 84 -9.583 11.548 -5.257 637 HE3 LYS 84 HE3 LYS 84 -9.678 10.047 -6.171 638 HZ1 LYS 84 HZ1 LYS 84 -9.627 12.302 -7.395 639 HZ2 LYS 84 HZ2 LYS 84 -11.274 12.359 -7.023 640 HZ3 LYS 84 HZ3 LYS 84 -10.659 11.075 -7.945 641 H MET 85 H MET 85 -14.152 6.755 -4.551 642 HA MET 85 HA MET 85 -12.428 4.574 -5.502 643 HB2 MET 85 HB2 MET 85 -14.842 4.310 -4.001 644 HB3 MET 85 HB3 MET 85 -15.146 3.731 -5.627 645 HG2 MET 85 HG2 MET 85 -13.189 2.256 -5.436 646 HG3 MET 85 HG3 MET 85 -12.983 2.795 -3.767 647 HE1 MET 85 HE1 MET 85 -14.332 -0.615 -2.807 648 HE2 MET 85 HE2 MET 85 -13.405 0.773 -2.228 649 HE3 MET 85 HE3 MET 85 -12.961 -0.020 -3.743 650 H GLU 86 H GLU 86 -12.117 4.797 -7.608 651 HA GLU 86 HA GLU 86 -14.204 6.146 -9.188 652 HB2 GLU 86 HB2 GLU 86 -11.265 5.878 -9.830 653 HB3 GLU 86 HB3 GLU 86 -12.452 6.783 -10.755 654 HG2 GLU 86 HG2 GLU 86 -12.754 8.318 -8.898 655 HG3 GLU 86 HG3 GLU 86 -11.612 7.393 -7.927 656 H GLY 87 H GLY 87 -15.439 4.450 -9.844 657 HA2 GLY 87 HA2 GLY 87 -16.076 2.725 -11.215 658 HA3 GLY 87 HA3 GLY 87 -14.547 2.930 -12.056 659 H GLY 88 H GLY 88 -15.171 2.041 -8.678 660 HA2 GLY 88 HA2 GLY 88 -14.804 0.045 -7.568 661 HA3 GLY 88 HA3 GLY 88 -14.525 -0.723 -9.123 662 H LYS 89 H LYS 89 -12.709 2.099 -8.327 663 HA LYS 89 HA LYS 89 -10.356 0.433 -7.686 664 HB2 LYS 89 HB2 LYS 89 -10.349 2.993 -9.306 665 HB3 LYS 89 HB3 LYS 89 -8.940 2.029 -8.880 666 HG2 LYS 89 HG2 LYS 89 -10.144 0.130 -10.154 667 HG3 LYS 89 HG3 LYS 89 -11.100 1.433 -10.860 668 HD2 LYS 89 HD2 LYS 89 -8.979 2.530 -11.560 669 HD3 LYS 89 HD3 LYS 89 -8.101 1.121 -10.964 670 HE2 LYS 89 HE2 LYS 89 -9.582 -0.249 -12.530 671 HE3 LYS 89 HE3 LYS 89 -10.033 1.292 -13.264 672 HZ1 LYS 89 HZ1 LYS 89 -8.210 0.253 -14.450 673 HZ2 LYS 89 HZ2 LYS 89 -7.268 0.211 -13.043 674 HZ3 LYS 89 HZ3 LYS 89 -7.693 1.698 -13.739 675 H ILE 90 H ILE 90 -9.546 0.893 -5.747 676 HA ILE 90 HA ILE 90 -10.501 3.197 -4.312 677 HB ILE 90 HB ILE 90 -8.257 1.455 -3.332 678 HG12 ILE 90 HG12 ILE 90 -11.121 0.729 -3.742 679 HG13 ILE 90 HG13 ILE 90 -9.690 -0.294 -3.777 680 HG21 ILE 90 HG21 ILE 90 -9.279 1.996 -1.168 681 HG22 ILE 90 HG22 ILE 90 -10.514 2.945 -2.001 682 HG23 ILE 90 HG23 ILE 90 -8.823 3.441 -2.071 683 HD11 ILE 90 HD11 ILE 90 -9.598 -0.158 -1.306 684 HD12 ILE 90 HD12 ILE 90 -11.069 -0.914 -1.920 685 HD13 ILE 90 HD13 ILE 90 -11.112 0.752 -1.336 686 H VAL 91 H VAL 91 -9.704 5.117 -4.783 687 HA VAL 91 HA VAL 91 -6.816 5.335 -5.326 688 HB VAL 91 HB VAL 91 -8.046 5.927 -7.304 689 HG11 VAL 91 HG11 VAL 91 -9.655 7.840 -7.262 690 HG12 VAL 91 HG12 VAL 91 -9.628 7.729 -5.503 691 HG13 VAL 91 HG13 VAL 91 -10.211 6.370 -6.462 692 HG21 VAL 91 HG21 VAL 91 -6.776 8.153 -5.785 693 HG22 VAL 91 HG22 VAL 91 -7.527 8.487 -7.345 694 HG23 VAL 91 HG23 VAL 91 -6.218 7.312 -7.229 695 H ALA 92 H ALA 92 -5.637 6.644 -4.089 696 HA ALA 92 HA ALA 92 -7.042 8.372 -2.158 697 HB1 ALA 92 HB1 ALA 92 -5.866 6.386 -1.190 698 HB2 ALA 92 HB2 ALA 92 -5.328 7.943 -0.559 699 HB3 ALA 92 HB3 ALA 92 -4.349 7.087 -1.753 700 H ASP 93 H ASP 93 -6.292 10.449 -1.886 701 HA ASP 93 HA ASP 93 -4.428 11.355 -3.952 702 HB2 ASP 93 HB2 ASP 93 -6.593 12.404 -4.077 703 HB3 ASP 93 HB3 ASP 93 -6.497 12.876 -2.384 704 H PHE 94 H PHE 94 -2.499 11.949 -3.452 705 HA PHE 94 HA PHE 94 -1.929 13.095 -0.821 706 HB2 PHE 94 HB2 PHE 94 -0.559 10.712 -2.061 707 HB3 PHE 94 HB3 PHE 94 0.186 11.672 -0.787 708 HD1 PHE 94 HD1 PHE 94 -0.977 11.830 1.430 709 HD2 PHE 94 HD2 PHE 94 -2.138 9.079 -1.595 710 HE1 PHE 94 HE1 PHE 94 -2.190 10.500 3.113 711 HE2 PHE 94 HE2 PHE 94 -3.356 7.749 0.080 712 HZ PHE 94 HZ PHE 94 -3.377 8.456 2.433 713 HA PRO 95 HA PRO 95 0.561 15.940 -3.086 714 HB2 PRO 95 HB2 PRO 95 2.754 16.207 -1.443 715 HB3 PRO 95 HB3 PRO 95 1.198 17.001 -1.152 716 HG2 PRO 95 HG2 PRO 95 2.315 14.544 0.086 717 HG3 PRO 95 HG3 PRO 95 1.361 15.849 0.818 718 HD2 PRO 95 HD2 PRO 95 0.278 13.470 0.164 719 HD3 PRO 95 HD3 PRO 95 -0.636 14.988 0.083 720 H ASN 96 H ASN 96 1.392 15.202 -4.920 721 HA ASN 96 HA ASN 96 2.785 14.289 -6.444 722 HB2 ASN 96 HB2 ASN 96 4.423 15.464 -4.639 723 HB3 ASN 96 HB3 ASN 96 5.015 13.806 -4.571 724 HD21 ASN 96 HD21 ASN 96 3.662 15.550 -7.326 725 HD22 ASN 96 HD22 ASN 96 5.092 15.478 -8.297 726 H TYR 97 H TYR 97 1.311 12.588 -4.304 727 HA TYR 97 HA TYR 97 2.531 10.039 -5.132 728 HB2 TYR 97 HB2 TYR 97 2.994 10.684 -2.701 729 HB3 TYR 97 HB3 TYR 97 1.274 10.486 -2.421 730 HD1 TYR 97 HD1 TYR 97 0.299 8.138 -3.208 731 HD2 TYR 97 HD2 TYR 97 4.389 8.896 -2.312 732 HE1 TYR 97 HE1 TYR 97 0.647 5.741 -2.788 733 HE2 TYR 97 HE2 TYR 97 4.741 6.504 -1.880 734 HH TYR 97 HH TYR 97 2.437 4.113 -2.727 735 H HIS 98 H HIS 98 1.142 8.754 -6.114 736 HA HIS 98 HA HIS 98 -1.743 9.212 -5.733 737 HB2 HIS 98 HB2 HIS 98 -0.672 9.954 -7.977 738 HB3 HIS 98 HB3 HIS 98 -0.547 8.231 -8.316 739 HD1 HIS 98 HD1 HIS 98 -3.251 10.729 -7.347 740 HD2 HIS 98 HD2 HIS 98 -2.738 7.259 -9.570 741 HE1 HIS 98 HE1 HIS 98 -5.468 10.297 -8.440 742 HE2 HIS 98 HE2 HIS 98 -5.067 8.315 -9.945 743 H HIS 99 H HIS 99 -2.604 7.494 -4.746 744 HA HIS 99 HA HIS 99 -1.421 4.843 -5.275 745 HB2 HIS 99 HB2 HIS 99 -1.388 5.859 -2.890 746 HB3 HIS 99 HB3 HIS 99 -3.115 5.521 -2.875 747 HD2 HIS 99 HD2 HIS 99 -3.156 2.522 -4.073 748 HE1 HIS 99 HE1 HIS 99 -0.396 1.704 -0.972 749 HE2 HIS 99 HE2 HIS 99 -2.190 0.722 -2.468 750 H THR 100 H THR 100 -2.624 3.668 -6.597 751 HA THR 100 HA THR 100 -5.551 3.753 -6.278 752 HB THR 100 HB THR 100 -5.648 3.107 -8.737 753 HG1 THR 100 HG1 THR 100 -3.395 2.591 -8.933 754 HG21 THR 100 HG21 THR 100 -6.337 5.291 -8.234 755 HG22 THR 100 HG22 THR 100 -5.124 5.505 -9.496 756 HG23 THR 100 HG23 THR 100 -4.707 5.803 -7.805 757 H ALA 101 H ALA 101 -6.453 1.827 -5.840 758 HA ALA 101 HA ALA 101 -4.833 -0.595 -6.302 759 HB1 ALA 101 HB1 ALA 101 -5.852 -1.571 -4.344 760 HB2 ALA 101 HB2 ALA 101 -6.878 -0.152 -4.132 761 HB3 ALA 101 HB3 ALA 101 -5.133 -0.019 -3.916 762 H GLU 102 H GLU 102 -5.763 -2.299 -7.328 763 HA GLU 102 HA GLU 102 -8.617 -2.403 -7.734 764 HB2 GLU 102 HB2 GLU 102 -8.607 -2.259 -10.117 765 HB3 GLU 102 HB3 GLU 102 -7.780 -0.837 -9.501 766 HG2 GLU 102 HG2 GLU 102 -5.621 -1.925 -9.960 767 HG3 GLU 102 HG3 GLU 102 -6.488 -3.293 -10.653 768 H ILE 103 H ILE 103 -8.923 -4.207 -9.595 769 HA ILE 103 HA ILE 103 -7.317 -6.515 -8.733 770 HB ILE 103 HB ILE 103 -10.182 -6.540 -9.701 771 HG12 ILE 103 HG12 ILE 103 -9.896 -5.433 -7.468 772 HG13 ILE 103 HG13 ILE 103 -10.874 -6.895 -7.418 773 HG21 ILE 103 HG21 ILE 103 -9.044 -8.595 -10.192 774 HG22 ILE 103 HG22 ILE 103 -10.158 -8.865 -8.848 775 HG23 ILE 103 HG23 ILE 103 -8.429 -8.692 -8.543 776 HD11 ILE 103 HD11 ILE 103 -9.049 -8.146 -6.499 777 HD12 ILE 103 HD12 ILE 103 -9.293 -6.685 -5.539 778 HD13 ILE 103 HD13 ILE 103 -7.961 -6.775 -6.693 779 H SER 104 H SER 104 -6.139 -7.379 -10.294 780 HA SER 104 HA SER 104 -7.090 -7.197 -13.070 781 HB2 SER 104 HB2 SER 104 -4.317 -6.592 -12.030 782 HB3 SER 104 HB3 SER 104 -4.684 -6.848 -13.736 783 HG SER 104 HG SER 104 -6.333 -5.041 -12.497 784 H GLY 105 H GLY 105 -7.614 -9.250 -13.453 785 HA2 GLY 105 HA2 GLY 105 -7.324 -11.484 -13.891 786 HA3 GLY 105 HA3 GLY 105 -5.598 -11.242 -13.673 787 H GLY 106 H GLY 106 -8.120 -10.614 -11.296 788 HA2 GLY 106 HA2 GLY 106 -8.605 -11.615 -9.284 789 HA3 GLY 106 HA3 GLY 106 -7.746 -13.037 -9.853 790 H LYS 107 H LYS 107 -6.208 -9.955 -9.824 791 HA LYS 107 HA LYS 107 -4.691 -10.677 -7.410 792 HB2 LYS 107 HB2 LYS 107 -3.704 -10.047 -10.156 793 HB3 LYS 107 HB3 LYS 107 -2.730 -9.556 -8.776 794 HG2 LYS 107 HG2 LYS 107 -2.438 -11.798 -8.075 795 HG3 LYS 107 HG3 LYS 107 -3.655 -12.385 -9.217 796 HD2 LYS 107 HD2 LYS 107 -2.246 -11.687 -11.079 797 HD3 LYS 107 HD3 LYS 107 -1.036 -11.083 -9.950 798 HE2 LYS 107 HE2 LYS 107 -0.306 -13.224 -10.707 799 HE3 LYS 107 HE3 LYS 107 -0.853 -13.407 -9.039 800 HZ1 LYS 107 HZ1 LYS 107 -2.580 -13.993 -11.373 801 HZ2 LYS 107 HZ2 LYS 107 -2.842 -14.417 -9.756 802 HZ3 LYS 107 HZ3 LYS 107 -1.607 -15.162 -10.634 803 H LEU 108 H LEU 108 -3.909 -8.930 -6.226 804 HA LEU 108 HA LEU 108 -5.296 -6.393 -6.705 805 HB2 LEU 108 HB2 LEU 108 -4.989 -7.772 -4.429 806 HB3 LEU 108 HB3 LEU 108 -3.485 -6.881 -4.370 807 HG LEU 108 HG LEU 108 -5.024 -5.688 -3.046 808 HD11 LEU 108 HD11 LEU 108 -5.137 -3.547 -4.045 809 HD12 LEU 108 HD12 LEU 108 -5.077 -4.229 -5.670 810 HD13 LEU 108 HD13 LEU 108 -3.661 -4.321 -4.620 811 HD21 LEU 108 HD21 LEU 108 -7.223 -5.192 -3.550 812 HD22 LEU 108 HD22 LEU 108 -7.019 -6.834 -4.168 813 HD23 LEU 108 HD23 LEU 108 -6.994 -5.460 -5.276 814 H VAL 109 H VAL 109 -4.262 -4.951 -7.887 815 HA VAL 109 HA VAL 109 -1.341 -4.819 -7.622 816 HB VAL 109 HB VAL 109 -1.777 -5.507 -9.847 817 HG11 VAL 109 HG11 VAL 109 -4.133 -4.979 -9.995 818 HG12 VAL 109 HG12 VAL 109 -3.278 -4.286 -11.372 819 HG13 VAL 109 HG13 VAL 109 -3.772 -3.251 -10.031 820 HG21 VAL 109 HG21 VAL 109 -1.185 -2.559 -9.719 821 HG22 VAL 109 HG22 VAL 109 -1.031 -3.514 -11.195 822 HG23 VAL 109 HG23 VAL 109 -0.040 -3.898 -9.785 823 H GLU 110 H GLU 110 -0.878 -3.240 -6.325 824 HA GLU 110 HA GLU 110 -2.501 -0.816 -6.320 825 HB2 GLU 110 HB2 GLU 110 -0.407 -1.890 -4.427 826 HB3 GLU 110 HB3 GLU 110 -1.042 -0.255 -4.296 827 HG2 GLU 110 HG2 GLU 110 -3.029 -0.941 -3.486 828 HG3 GLU 110 HG3 GLU 110 -3.042 -2.414 -4.450 829 H ILE 111 H ILE 111 -1.897 0.840 -7.489 830 HA ILE 111 HA ILE 111 0.884 1.014 -8.386 831 HB ILE 111 HB ILE 111 -1.561 2.465 -9.429 832 HG12 ILE 111 HG12 ILE 111 -0.706 0.965 -11.497 833 HG13 ILE 111 HG13 ILE 111 -0.226 -0.083 -10.170 834 HG21 ILE 111 HG21 ILE 111 -0.090 3.157 -11.270 835 HG22 ILE 111 HG22 ILE 111 1.278 2.402 -10.453 836 HG23 ILE 111 HG23 ILE 111 0.456 3.777 -9.715 837 HD11 ILE 111 HD11 ILE 111 -2.527 -0.104 -9.354 838 HD12 ILE 111 HD12 ILE 111 -2.425 -0.680 -11.018 839 HD13 ILE 111 HD13 ILE 111 -3.010 0.951 -10.682 840 H SER 112 H SER 112 2.186 2.568 -7.677 841 HA SER 112 HA SER 112 1.000 4.855 -6.237 842 HB2 SER 112 HB2 SER 112 3.378 3.176 -5.409 843 HB3 SER 112 HB3 SER 112 2.956 4.721 -4.668 844 HG SER 112 HG SER 112 0.818 3.077 -4.778 845 H THR 113 H THR 113 1.424 6.561 -7.448 846 HA THR 113 HA THR 113 3.928 6.688 -8.947 847 HB THR 113 HB THR 113 2.001 8.929 -9.099 848 HG1 THR 113 HG1 THR 113 1.125 7.006 -10.756 849 HG21 THR 113 HG21 THR 113 3.860 8.967 -10.569 850 HG22 THR 113 HG22 THR 113 2.463 8.527 -11.553 851 HG23 THR 113 HG23 THR 113 3.611 7.287 -11.042 852 H SER 114 H SER 114 5.572 7.973 -8.377 853 HA SER 114 HA SER 114 5.096 10.159 -6.497 854 HB2 SER 114 HB2 SER 114 7.139 9.463 -5.210 855 HB3 SER 114 HB3 SER 114 5.785 8.340 -5.053 856 HG SER 114 HG SER 114 7.868 8.014 -6.952 857 H SER 115 H SER 115 5.765 11.873 -7.566 858 HA SER 115 HA SER 115 6.996 13.289 -8.832 859 HB2 SER 115 HB2 SER 115 9.273 11.446 -8.072 860 HB3 SER 115 HB3 SER 115 9.447 13.071 -8.728 861 HG SER 115 HG SER 115 7.875 13.398 -6.705 862 H GLY 116 H GLY 116 5.783 10.879 -10.082 863 HA2 GLY 116 HA2 GLY 116 5.629 10.712 -12.481 864 HA3 GLY 116 HA3 GLY 116 7.362 10.980 -12.563 865 H VAL 117 H VAL 117 7.837 9.061 -10.319 866 HA VAL 117 HA VAL 117 8.128 6.736 -11.951 867 HB VAL 117 HB VAL 117 8.642 7.153 -9.003 868 HG11 VAL 117 HG11 VAL 117 8.193 4.833 -9.216 869 HG12 VAL 117 HG12 VAL 117 9.949 4.995 -9.205 870 HG13 VAL 117 HG13 VAL 117 9.097 4.726 -10.726 871 HG21 VAL 117 HG21 VAL 117 10.162 8.391 -10.383 872 HG22 VAL 117 HG22 VAL 117 10.447 6.985 -11.413 873 HG23 VAL 117 HG23 VAL 117 11.016 6.987 -9.745 874 H VAL 118 H VAL 118 6.796 5.109 -12.232 875 HA VAL 118 HA VAL 118 4.403 4.933 -10.563 876 HB VAL 118 HB VAL 118 4.990 3.611 -13.216 877 HG11 VAL 118 HG11 VAL 118 2.305 3.843 -11.896 878 HG12 VAL 118 HG12 VAL 118 3.375 2.482 -11.569 879 HG13 VAL 118 HG13 VAL 118 2.807 2.782 -13.214 880 HG21 VAL 118 HG21 VAL 118 3.236 5.969 -12.548 881 HG22 VAL 118 HG22 VAL 118 3.401 5.222 -14.137 882 HG23 VAL 118 HG23 VAL 118 4.779 6.037 -13.397 883 H TYR 119 H TYR 119 4.770 3.699 -8.853 884 HA TYR 119 HA TYR 119 6.350 1.256 -9.092 885 HB2 TYR 119 HB2 TYR 119 6.835 2.533 -7.123 886 HB3 TYR 119 HB3 TYR 119 5.128 2.693 -6.730 887 HD1 TYR 119 HD1 TYR 119 7.603 -0.066 -7.332 888 HD2 TYR 119 HD2 TYR 119 4.365 1.395 -4.990 889 HE1 TYR 119 HE1 TYR 119 7.732 -2.068 -5.910 890 HE2 TYR 119 HE2 TYR 119 4.493 -0.600 -3.562 891 HH TYR 119 HH TYR 119 7.108 -2.868 -3.807 892 H LYS 120 H LYS 120 5.458 -0.675 -9.353 893 HA LYS 120 HA LYS 120 2.579 -0.959 -8.823 894 HB2 LYS 120 HB2 LYS 120 4.254 -2.080 -11.062 895 HB3 LYS 120 HB3 LYS 120 2.664 -2.712 -10.664 896 HG2 LYS 120 HG2 LYS 120 1.585 -0.804 -11.361 897 HG3 LYS 120 HG3 LYS 120 3.032 0.197 -11.188 898 HD2 LYS 120 HD2 LYS 120 3.956 -0.571 -13.172 899 HD3 LYS 120 HD3 LYS 120 2.978 -2.040 -13.172 900 HE2 LYS 120 HE2 LYS 120 1.005 -0.791 -13.741 901 HE3 LYS 120 HE3 LYS 120 1.871 0.736 -13.573 902 HZ1 LYS 120 HZ1 LYS 120 2.499 -1.360 -15.581 903 HZ2 LYS 120 HZ2 LYS 120 3.242 0.153 -15.453 904 HZ3 LYS 120 HZ3 LYS 120 1.614 0.043 -15.894 905 H ARG 121 H ARG 121 1.997 -2.524 -7.487 906 HA ARG 121 HA ARG 121 3.885 -4.726 -7.030 907 HB2 ARG 121 HB2 ARG 121 3.282 -4.753 -4.642 908 HB3 ARG 121 HB3 ARG 121 4.051 -3.245 -5.109 909 HG2 ARG 121 HG2 ARG 121 2.363 -2.168 -4.152 910 HG3 ARG 121 HG3 ARG 121 1.312 -2.797 -5.422 911 HD2 ARG 121 HD2 ARG 121 0.356 -3.335 -3.276 912 HD3 ARG 121 HD3 ARG 121 0.922 -4.817 -4.045 913 HE ARG 121 HE ARG 121 3.018 -4.199 -2.526 914 HH11 ARG 121 HH11 ARG 121 -0.432 -4.166 -1.788 915 HH12 ARG 121 HH12 ARG 121 -0.176 -4.631 -0.060 916 HH21 ARG 121 HH21 ARG 121 3.379 -4.789 -0.333 917 HH22 ARG 121 HH22 ARG 121 1.954 -4.974 0.752 918 H THR 122 H THR 122 3.052 -6.614 -7.422 919 HA THR 122 HA THR 122 0.143 -6.867 -7.651 920 HB THR 122 HB THR 122 2.175 -8.882 -8.566 921 HG1 THR 122 HG1 THR 122 1.487 -6.401 -9.669 922 HG21 THR 122 HG21 THR 122 0.405 -9.433 -10.196 923 HG22 THR 122 HG22 THR 122 -0.629 -8.209 -9.460 924 HG23 THR 122 HG23 THR 122 -0.136 -9.625 -8.527 925 H SER 123 H SER 123 -0.882 -7.752 -6.017 926 HA SER 123 HA SER 123 0.576 -9.712 -4.365 927 HB2 SER 123 HB2 SER 123 -1.786 -8.140 -3.373 928 HB3 SER 123 HB3 SER 123 -0.491 -8.909 -2.448 929 HG SER 123 HG SER 123 -0.611 -6.403 -3.540 930 H LYS 124 H LYS 124 -0.271 -11.678 -4.152 931 HA LYS 124 HA LYS 124 -2.597 -12.363 -5.715 932 HB2 LYS 124 HB2 LYS 124 -2.079 -14.682 -5.001 933 HB3 LYS 124 HB3 LYS 124 -0.710 -13.876 -5.754 934 HG2 LYS 124 HG2 LYS 124 0.268 -13.452 -3.566 935 HG3 LYS 124 HG3 LYS 124 -1.141 -14.193 -2.796 936 HD2 LYS 124 HD2 LYS 124 -0.538 -16.320 -3.425 937 HD3 LYS 124 HD3 LYS 124 0.391 -15.756 -4.818 938 HE2 LYS 124 HE2 LYS 124 1.323 -14.994 -2.093 939 HE3 LYS 124 HE3 LYS 124 1.582 -16.653 -2.631 940 HZ1 LYS 124 HZ1 LYS 124 2.972 -14.277 -3.393 941 HZ2 LYS 124 HZ2 LYS 124 2.367 -15.097 -4.754 942 HZ3 LYS 124 HZ3 LYS 124 3.379 -15.899 -3.661 943 H LYS 125 H LYS 125 -4.415 -13.535 -4.851 944 HA LYS 125 HA LYS 125 -5.148 -12.546 -2.199 945 HB2 LYS 125 HB2 LYS 125 -6.560 -12.315 -4.462 946 HB3 LYS 125 HB3 LYS 125 -7.166 -13.879 -3.929 947 HG2 LYS 125 HG2 LYS 125 -7.164 -11.419 -2.187 948 HG3 LYS 125 HG3 LYS 125 -8.519 -11.896 -3.208 949 HD2 LYS 125 HD2 LYS 125 -7.485 -14.022 -1.466 950 HD3 LYS 125 HD3 LYS 125 -8.188 -12.649 -0.614 951 HE2 LYS 125 HE2 LYS 125 -9.536 -14.207 -2.808 952 HE3 LYS 125 HE3 LYS 125 -9.833 -14.423 -1.082 953 HZ1 LYS 125 HZ1 LYS 125 -10.144 -11.759 -2.292 954 HZ2 LYS 125 HZ2 LYS 125 -10.892 -12.410 -0.920 955 HZ3 LYS 125 HZ3 LYS 125 -11.376 -12.902 -2.462 956 H ILE 126 H ILE 126 -5.204 -13.832 -0.546 957 HA ILE 126 HA ILE 126 -5.759 -16.686 -0.878 958 HB ILE 126 HB ILE 126 -3.737 -16.159 1.173 959 HG12 ILE 126 HG12 ILE 126 -1.991 -16.385 -0.883 960 HG13 ILE 126 HG13 ILE 126 -3.211 -15.364 -1.639 961 HG21 ILE 126 HG21 ILE 126 -3.978 -18.157 -1.061 962 HG22 ILE 126 HG22 ILE 126 -4.478 -18.385 0.617 963 HG23 ILE 126 HG23 ILE 126 -2.765 -18.210 0.217 964 HD11 ILE 126 HD11 ILE 126 -1.493 -13.997 -0.677 965 HD12 ILE 126 HD12 ILE 126 -1.683 -14.782 0.889 966 HD13 ILE 126 HD13 ILE 126 -2.983 -13.780 0.243 967 H ALA 127 H ALA 127 -6.197 -17.669 1.407 968 HA ALA 127 HA ALA 127 -7.182 -15.605 3.246 969 HB1 ALA 127 HB1 ALA 127 -8.871 -17.937 2.339 970 HB2 ALA 127 HB2 ALA 127 -9.068 -16.268 1.802 971 HB3 ALA 127 HB3 ALA 127 -9.333 -16.686 3.492 972 H11 CHO 200 H11 CHO 200 5.898 0.070 -1.076 973 H12 CHO 200 H12 CHO 200 6.649 -1.094 0.055 974 H21 CHO 200 H21 CHO 200 4.914 -0.616 1.728 975 H22 CHO 200 H22 CHO 200 4.177 -1.148 0.192 976 H3 CHO 200 H3 CHO 200 3.730 1.200 -0.419 977 HO3 CHO 200 HO3 CHO 200 2.126 1.585 1.224 978 H41 CHO 200 H41 CHO 200 4.885 1.813 2.342 979 H42 CHO 200 H42 CHO 200 4.141 2.994 1.235 980 H5 CHO 200 H5 CHO 200 5.877 2.494 -0.461 981 H61 CHO 200 H61 CHO 200 6.201 4.302 1.239 982 H62 CHO 200 H62 CHO 200 7.741 3.594 0.697 983 H7 CHO 200 H7 CHO 200 7.736 3.838 3.142 984 HO7 CHO 200 HO7 CHO 200 5.624 1.895 3.294 985 H8 CHO 200 H8 CHO 200 8.913 1.920 2.186 986 H9 CHO 200 H9 CHO 200 6.279 0.448 2.606 987 H111 CHO 200 H111 CHO 200 8.918 -0.596 1.539 988 H112 CHO 200 H112 CHO 200 7.384 -1.507 1.742 989 H121 CHO 200 H121 CHO 200 9.009 -1.958 3.577 990 H122 CHO 200 H122 CHO 200 7.496 -1.234 4.162 991 H14 CHO 200 H14 CHO 200 7.327 1.280 4.638 992 H151 CHO 200 H151 CHO 200 8.672 3.195 5.268 993 H152 CHO 200 H152 CHO 200 10.024 2.732 4.293 994 H161 CHO 200 H161 CHO 200 9.195 1.724 6.998 995 H162 CHO 200 H162 CHO 200 10.788 1.633 6.276 996 H17 CHO 200 H17 CHO 200 8.591 -0.405 6.215 997 H181 CHO 200 H181 CHO 200 10.736 1.421 3.458 998 H182 CHO 200 H182 CHO 200 10.357 0.069 2.363 999 H183 CHO 200 H183 CHO 200 11.290 -0.224 3.850 1000 H191 CHO 200 H191 CHO 200 8.428 2.235 -0.179 1001 H192 CHO 200 H192 CHO 200 8.050 0.817 -1.188 1002 H193 CHO 200 H193 CHO 200 8.985 0.618 0.313 1003 H20 CHO 200 H20 CHO 200 11.473 -0.611 5.490 1004 H211 CHO 200 H211 CHO 200 10.119 -2.972 6.531 1005 H212 CHO 200 H212 CHO 200 11.077 -2.774 5.045 1006 H213 CHO 200 H213 CHO 200 9.343 -2.376 5.045 1007 H221 CHO 200 H221 CHO 200 9.978 -1.100 8.097 1008 H222 CHO 200 H222 CHO 200 11.219 0.148 7.786 1009 H231 CHO 200 H231 CHO 200 12.877 -1.630 7.333 1010 H232 CHO 200 H232 CHO 200 11.624 -2.858 7.707 1011 HN CHO 200 HN CHO 200 11.321 -3.519 9.780 1012 H261 CHO 200 H261 CHO 200 12.302 -1.826 11.976 1013 H262 CHO 200 H262 CHO 200 12.983 -3.461 11.782 1014 H11 CHO 201 H11 CHO 201 -6.396 4.545 0.255 1015 H12 CHO 201 H12 CHO 201 -4.909 5.259 -0.429 1016 H21 CHO 201 H21 CHO 201 -3.996 3.015 -0.837 1017 H22 CHO 201 H22 CHO 201 -5.582 3.202 -1.635 1018 H3 CHO 201 H3 CHO 201 -6.673 2.023 0.238 1019 HO3 CHO 201 HO3 CHO 201 -5.916 -0.011 -0.334 1020 H41 CHO 201 H41 CHO 201 -3.827 1.700 1.288 1021 H42 CHO 201 H42 CHO 201 -5.290 0.968 1.990 1022 H5 CHO 201 H5 CHO 201 -6.233 3.219 2.373 1023 H61 CHO 201 H61 CHO 201 -4.841 2.088 4.113 1024 H62 CHO 201 H62 CHO 201 -4.774 3.866 4.214 1025 H7 CHO 201 H7 CHO 201 -2.528 2.956 4.461 1026 HO7 CHO 201 HO7 CHO 201 -2.695 1.908 1.786 1027 H8 CHO 201 H8 CHO 201 -2.728 5.061 3.268 1028 H9 CHO 201 H9 CHO 201 -2.888 3.316 0.766 1029 H111 CHO 201 H111 CHO 201 -2.916 6.339 0.984 1030 H112 CHO 201 H112 CHO 201 -3.003 5.336 -0.507 1031 H121 CHO 201 H121 CHO 201 -0.730 6.297 -0.123 1032 H122 CHO 201 H122 CHO 201 -0.738 4.525 -0.149 1033 H14 CHO 201 H14 CHO 201 -0.795 3.156 2.005 1034 H151 CHO 201 H151 CHO 201 -0.186 3.306 4.394 1035 H152 CHO 201 H152 CHO 201 -0.476 4.992 4.493 1036 H161 CHO 201 H161 CHO 201 1.753 3.492 3.026 1037 H162 CHO 201 H162 CHO 201 1.901 5.004 3.893 1038 H17 CHO 201 H17 CHO 201 1.416 4.645 1.042 1039 H181 CHO 201 H181 CHO 201 -0.955 7.485 1.967 1040 H182 CHO 201 H182 CHO 201 -0.258 6.778 3.446 1041 H183 CHO 201 H183 CHO 201 -1.948 6.436 3.007 1042 H191 CHO 201 H191 CHO 201 -4.901 6.465 1.661 1043 H192 CHO 201 H192 CHO 201 -4.248 5.685 3.122 1044 H193 CHO 201 H193 CHO 201 -5.972 5.511 2.714 1045 H20 CHO 201 H20 CHO 201 1.418 7.134 2.707 1046 H211 CHO 201 H211 CHO 201 1.166 6.599 -0.204 1047 H212 CHO 201 H212 CHO 201 2.346 7.850 0.256 1048 H213 CHO 201 H213 CHO 201 0.645 8.005 0.756 1049 H221 CHO 201 H221 CHO 201 3.638 5.737 1.162 1050 H222 CHO 201 H222 CHO 201 3.471 5.793 2.941 1051 H231 CHO 201 H231 CHO 201 3.612 8.266 2.860 1052 H232 CHO 201 H232 CHO 201 3.849 8.163 1.082 1053 HN CHO 201 HN CHO 201 5.224 5.609 3.022 1054 H261 CHO 201 H261 CHO 201 7.915 6.846 2.792 1055 H262 CHO 201 H262 CHO 201 7.577 5.138 2.418 Start of MODEL 16 1 H ALA 1 H ALA 1 -13.754 -6.696 -6.007 2 HA ALA 1 HA ALA 1 -14.253 -8.680 -3.870 3 HB1 ALA 1 HB1 ALA 1 -14.254 -9.845 -5.914 4 HB2 ALA 1 HB2 ALA 1 -12.617 -10.026 -5.279 5 HB3 ALA 1 HB3 ALA 1 -12.940 -8.865 -6.567 6 H PHE 2 H PHE 2 -13.291 -6.344 -2.988 7 HA PHE 2 HA PHE 2 -10.397 -6.315 -3.165 8 HB2 PHE 2 HB2 PHE 2 -12.425 -4.544 -1.830 9 HB3 PHE 2 HB3 PHE 2 -10.711 -4.407 -1.444 10 HD1 PHE 2 HD1 PHE 2 -9.120 -4.174 -3.489 11 HD2 PHE 2 HD2 PHE 2 -13.281 -3.308 -3.569 12 HE1 PHE 2 HE1 PHE 2 -8.777 -2.749 -5.465 13 HE2 PHE 2 HE2 PHE 2 -12.956 -1.883 -5.545 14 HZ PHE 2 HZ PHE 2 -10.700 -1.600 -6.498 15 H THR 3 H THR 3 -12.879 -7.423 -1.024 16 HA THR 3 HA THR 3 -11.415 -7.649 1.361 17 HB THR 3 HB THR 3 -13.474 -9.699 0.656 18 HG1 THR 3 HG1 THR 3 -14.948 -8.237 0.270 19 HG21 THR 3 HG21 THR 3 -13.059 -7.973 3.094 20 HG22 THR 3 HG22 THR 3 -12.411 -9.602 2.891 21 HG23 THR 3 HG23 THR 3 -14.160 -9.342 2.946 22 H GLY 4 H GLY 4 -10.152 -9.256 2.199 23 HA2 GLY 4 HA2 GLY 4 -9.664 -11.750 1.923 24 HA3 GLY 4 HA3 GLY 4 -9.283 -11.291 0.270 25 H LYS 5 H LYS 5 -7.393 -12.540 1.761 26 HA LYS 5 HA LYS 5 -5.584 -10.413 2.628 27 HB2 LYS 5 HB2 LYS 5 -4.679 -11.873 4.091 28 HB3 LYS 5 HB3 LYS 5 -6.089 -12.870 3.759 29 HG2 LYS 5 HG2 LYS 5 -4.740 -13.958 1.930 30 HG3 LYS 5 HG3 LYS 5 -3.331 -13.108 2.577 31 HD2 LYS 5 HD2 LYS 5 -5.083 -14.832 4.308 32 HD3 LYS 5 HD3 LYS 5 -3.755 -15.516 3.368 33 HE2 LYS 5 HE2 LYS 5 -2.239 -14.788 4.838 34 HE3 LYS 5 HE3 LYS 5 -2.919 -13.163 4.824 35 HZ1 LYS 5 HZ1 LYS 5 -4.209 -13.575 6.622 36 HZ2 LYS 5 HZ2 LYS 5 -2.938 -14.641 6.977 37 HZ3 LYS 5 HZ3 LYS 5 -4.368 -15.228 6.292 38 H TYR 6 H TYR 6 -3.625 -10.046 1.630 39 HA TYR 6 HA TYR 6 -3.174 -11.514 -0.879 40 HB2 TYR 6 HB2 TYR 6 -2.863 -8.532 -0.490 41 HB3 TYR 6 HB3 TYR 6 -2.537 -9.417 -1.972 42 HD1 TYR 6 HD1 TYR 6 -4.414 -10.438 -3.231 43 HD2 TYR 6 HD2 TYR 6 -5.063 -7.877 0.096 44 HE1 TYR 6 HE1 TYR 6 -6.747 -10.126 -3.935 45 HE2 TYR 6 HE2 TYR 6 -7.402 -7.560 -0.592 46 HH TYR 6 HH TYR 6 -8.926 -7.964 -2.160 47 H GLU 7 H GLU 7 -1.083 -11.958 -1.396 48 HA GLU 7 HA GLU 7 0.966 -11.018 0.493 49 HB2 GLU 7 HB2 GLU 7 0.472 -13.784 -0.556 50 HB3 GLU 7 HB3 GLU 7 2.083 -13.293 -0.061 51 HG2 GLU 7 HG2 GLU 7 0.989 -12.601 2.144 52 HG3 GLU 7 HG3 GLU 7 -0.383 -13.570 1.601 53 H PHE 8 H PHE 8 3.126 -10.997 -0.332 54 HA PHE 8 HA PHE 8 3.453 -9.607 -2.679 55 HB2 PHE 8 HB2 PHE 8 5.185 -9.584 -1.030 56 HB3 PHE 8 HB3 PHE 8 5.399 -11.329 -1.131 57 HD1 PHE 8 HD1 PHE 8 5.335 -8.522 -3.595 58 HD2 PHE 8 HD2 PHE 8 7.406 -11.910 -2.067 59 HE1 PHE 8 HE1 PHE 8 7.091 -8.206 -5.282 60 HE2 PHE 8 HE2 PHE 8 9.171 -11.593 -3.751 61 HZ PHE 8 HZ PHE 8 9.014 -9.736 -5.361 62 H GLU 9 H GLU 9 3.764 -10.075 -4.760 63 HA GLU 9 HA GLU 9 4.159 -12.860 -5.569 64 HB2 GLU 9 HB2 GLU 9 1.723 -12.337 -5.697 65 HB3 GLU 9 HB3 GLU 9 2.096 -11.025 -6.805 66 HG2 GLU 9 HG2 GLU 9 1.667 -12.565 -8.375 67 HG3 GLU 9 HG3 GLU 9 3.327 -13.060 -8.058 68 H SER 10 H SER 10 3.794 -9.537 -6.810 69 HA SER 10 HA SER 10 6.393 -9.714 -8.094 70 HB2 SER 10 HB2 SER 10 3.810 -9.522 -9.622 71 HB3 SER 10 HB3 SER 10 5.309 -8.879 -10.280 72 HG SER 10 HG SER 10 5.305 -11.493 -9.276 73 H ASP 11 H ASP 11 7.303 -7.698 -8.507 74 HA ASP 11 HA ASP 11 5.700 -5.319 -7.949 75 HB2 ASP 11 HB2 ASP 11 7.989 -6.327 -6.330 76 HB3 ASP 11 HB3 ASP 11 7.928 -4.593 -6.640 77 H GLU 12 H GLU 12 6.593 -3.390 -8.813 78 HA GLU 12 HA GLU 12 8.864 -3.745 -10.638 79 HB2 GLU 12 HB2 GLU 12 7.258 -3.954 -12.253 80 HB3 GLU 12 HB3 GLU 12 6.063 -3.096 -11.310 81 HG2 GLU 12 HG2 GLU 12 7.130 -0.965 -11.902 82 HG3 GLU 12 HG3 GLU 12 8.317 -1.849 -12.861 83 H ASN 13 H ASN 13 10.020 -1.895 -11.097 84 HA ASN 13 HA ASN 13 11.080 0.062 -10.610 85 HB2 ASN 13 HB2 ASN 13 8.187 0.834 -10.325 86 HB3 ASN 13 HB3 ASN 13 9.465 2.008 -10.005 87 HD21 ASN 13 HD21 ASN 13 7.366 1.735 -12.128 88 HD22 ASN 13 HD22 ASN 13 8.238 1.881 -13.617 89 H TYR 14 H TYR 14 11.214 -1.743 -8.612 90 HA TYR 14 HA TYR 14 10.336 -0.897 -6.076 91 HB2 TYR 14 HB2 TYR 14 11.378 -3.174 -6.974 92 HB3 TYR 14 HB3 TYR 14 12.852 -2.465 -6.329 93 HD1 TYR 14 HD1 TYR 14 12.740 -1.627 -3.866 94 HD2 TYR 14 HD2 TYR 14 9.963 -4.353 -5.583 95 HE1 TYR 14 HE1 TYR 14 12.131 -2.392 -1.608 96 HE2 TYR 14 HE2 TYR 14 9.338 -5.143 -3.342 97 HH TYR 14 HH TYR 14 10.315 -3.544 -0.474 98 H ASP 15 H ASP 15 13.720 -0.960 -7.197 99 HA ASP 15 HA ASP 15 14.622 0.783 -5.174 100 HB2 ASP 15 HB2 ASP 15 15.888 0.008 -7.795 101 HB3 ASP 15 HB3 ASP 15 16.701 0.958 -6.561 102 H ASP 16 H ASP 16 13.539 1.333 -8.459 103 HA ASP 16 HA ASP 16 14.417 3.978 -8.778 104 HB2 ASP 16 HB2 ASP 16 12.055 2.490 -9.931 105 HB3 ASP 16 HB3 ASP 16 12.471 4.130 -10.413 106 H PHE 17 H PHE 17 11.443 2.664 -7.408 107 HA PHE 17 HA PHE 17 10.148 5.142 -6.958 108 HB2 PHE 17 HB2 PHE 17 8.972 2.978 -7.047 109 HB3 PHE 17 HB3 PHE 17 9.783 2.479 -5.568 110 HD1 PHE 17 HD1 PHE 17 7.662 5.276 -6.832 111 HD2 PHE 17 HD2 PHE 17 8.637 2.693 -3.597 112 HE1 PHE 17 HE1 PHE 17 5.828 6.241 -5.510 113 HE2 PHE 17 HE2 PHE 17 6.805 3.659 -2.267 114 HZ PHE 17 HZ PHE 17 5.401 5.436 -3.225 115 H VAL 18 H VAL 18 11.877 2.943 -4.760 116 HA VAL 18 HA VAL 18 11.630 4.607 -2.509 117 HB VAL 18 HB VAL 18 13.429 3.229 -1.501 118 HG11 VAL 18 HG11 VAL 18 11.239 1.708 -2.904 119 HG12 VAL 18 HG12 VAL 18 11.083 2.576 -1.377 120 HG13 VAL 18 HG13 VAL 18 12.126 1.158 -1.482 121 HG21 VAL 18 HG21 VAL 18 13.417 1.802 -4.151 122 HG22 VAL 18 HG22 VAL 18 14.312 1.317 -2.709 123 HG23 VAL 18 HG23 VAL 18 14.729 2.814 -3.546 124 H LYS 19 H LYS 19 14.110 4.454 -5.038 125 HA LYS 19 HA LYS 19 15.911 6.222 -3.700 126 HB2 LYS 19 HB2 LYS 19 15.639 5.375 -6.583 127 HB3 LYS 19 HB3 LYS 19 16.854 6.536 -6.060 128 HG2 LYS 19 HG2 LYS 19 16.603 3.806 -4.840 129 HG3 LYS 19 HG3 LYS 19 17.597 4.129 -6.259 130 HD2 LYS 19 HD2 LYS 19 19.164 5.256 -5.069 131 HD3 LYS 19 HD3 LYS 19 17.985 5.913 -3.934 132 HE2 LYS 19 HE2 LYS 19 17.861 3.804 -2.770 133 HE3 LYS 19 HE3 LYS 19 18.901 3.040 -3.970 134 HZ1 LYS 19 HZ1 LYS 19 19.692 4.260 -1.638 135 HZ2 LYS 19 HZ2 LYS 19 20.156 5.330 -2.860 136 HZ3 LYS 19 HZ3 LYS 19 20.689 3.725 -2.896 137 H LYS 20 H LYS 20 13.118 6.661 -5.712 138 HA LYS 20 HA LYS 20 13.584 9.413 -6.337 139 HB2 LYS 20 HB2 LYS 20 12.110 7.796 -7.632 140 HB3 LYS 20 HB3 LYS 20 10.919 7.995 -6.355 141 HG2 LYS 20 HG2 LYS 20 10.271 9.471 -8.057 142 HG3 LYS 20 HG3 LYS 20 11.033 10.483 -6.828 143 HD2 LYS 20 HD2 LYS 20 12.938 10.823 -8.106 144 HD3 LYS 20 HD3 LYS 20 12.651 9.393 -9.094 145 HE2 LYS 20 HE2 LYS 20 10.566 10.620 -9.924 146 HE3 LYS 20 HE3 LYS 20 11.289 12.060 -9.205 147 HZ1 LYS 20 HZ1 LYS 20 13.248 11.705 -10.605 148 HZ2 LYS 20 HZ2 LYS 20 11.854 11.896 -11.542 149 HZ3 LYS 20 HZ3 LYS 20 12.515 10.358 -11.312 150 H ILE 21 H ILE 21 11.526 7.709 -3.998 151 HA ILE 21 HA ILE 21 10.496 10.131 -2.874 152 HB ILE 21 HB ILE 21 9.533 8.700 -1.116 153 HG12 ILE 21 HG12 ILE 21 10.784 6.370 -2.566 154 HG13 ILE 21 HG13 ILE 21 11.496 7.080 -1.122 155 HG21 ILE 21 HG21 ILE 21 9.189 7.628 -3.914 156 HG22 ILE 21 HG22 ILE 21 8.350 9.018 -3.225 157 HG23 ILE 21 HG23 ILE 21 8.061 7.405 -2.577 158 HD11 ILE 21 HD11 ILE 21 10.109 5.034 -0.764 159 HD12 ILE 21 HD12 ILE 21 8.698 5.993 -1.208 160 HD13 ILE 21 HD13 ILE 21 9.655 6.429 0.209 161 H GLY 22 H GLY 22 13.462 8.613 -2.590 162 HA2 GLY 22 HA2 GLY 22 15.290 9.236 -1.325 163 HA3 GLY 22 HA3 GLY 22 14.272 10.403 -0.497 164 H LEU 23 H LEU 23 13.548 6.979 -0.720 165 HA LEU 23 HA LEU 23 13.223 6.735 2.090 166 HB2 LEU 23 HB2 LEU 23 12.093 5.359 0.262 167 HB3 LEU 23 HB3 LEU 23 13.607 4.479 0.123 168 HG LEU 23 HG LEU 23 13.369 3.831 2.538 169 HD11 LEU 23 HD11 LEU 23 10.540 4.787 2.214 170 HD12 LEU 23 HD12 LEU 23 11.773 5.701 3.077 171 HD13 LEU 23 HD13 LEU 23 11.295 4.104 3.653 172 HD21 LEU 23 HD21 LEU 23 12.111 1.988 2.029 173 HD22 LEU 23 HD22 LEU 23 12.518 2.558 0.411 174 HD23 LEU 23 HD23 LEU 23 10.937 2.914 1.098 175 HA PRO 24 HA PRO 24 17.502 6.146 3.185 176 HB2 PRO 24 HB2 PRO 24 17.057 4.767 5.538 177 HB3 PRO 24 HB3 PRO 24 17.037 6.534 5.388 178 HG2 PRO 24 HG2 PRO 24 14.769 4.628 5.500 179 HG3 PRO 24 HG3 PRO 24 14.924 6.256 6.172 180 HD2 PRO 24 HD2 PRO 24 13.513 5.751 3.935 181 HD3 PRO 24 HD3 PRO 24 14.377 7.280 4.191 182 H ALA 25 H ALA 25 18.935 4.610 2.733 183 HA ALA 25 HA ALA 25 18.215 2.223 1.485 184 HB1 ALA 25 HB1 ALA 25 20.870 2.620 2.824 185 HB2 ALA 25 HB2 ALA 25 20.431 3.482 1.349 186 HB3 ALA 25 HB3 ALA 25 20.503 1.719 1.352 187 H ASP 26 H ASP 26 19.014 2.922 4.813 188 HA ASP 26 HA ASP 26 19.362 0.345 5.803 189 HB2 ASP 26 HB2 ASP 26 19.881 2.345 7.107 190 HB3 ASP 26 HB3 ASP 26 18.174 2.770 7.166 191 H LYS 27 H LYS 27 16.397 2.232 5.356 192 HA LYS 27 HA LYS 27 14.794 0.057 6.426 193 HB2 LYS 27 HB2 LYS 27 13.891 2.687 5.239 194 HB3 LYS 27 HB3 LYS 27 12.882 1.533 6.099 195 HG2 LYS 27 HG2 LYS 27 15.227 2.979 7.324 196 HG3 LYS 27 HG3 LYS 27 13.550 3.508 7.451 197 HD2 LYS 27 HD2 LYS 27 14.316 0.735 8.288 198 HD3 LYS 27 HD3 LYS 27 14.619 2.099 9.370 199 HE2 LYS 27 HE2 LYS 27 12.134 2.677 8.908 200 HE3 LYS 27 HE3 LYS 27 12.014 1.014 8.354 201 HZ1 LYS 27 HZ1 LYS 27 12.956 0.367 10.580 202 HZ2 LYS 27 HZ2 LYS 27 11.398 1.013 10.610 203 HZ3 LYS 27 HZ3 LYS 27 12.712 1.969 11.070 204 H ILE 28 H ILE 28 15.864 1.281 3.376 205 HA ILE 28 HA ILE 28 13.884 0.212 1.693 206 HB ILE 28 HB ILE 28 16.789 0.853 1.267 207 HG12 ILE 28 HG12 ILE 28 14.253 1.949 0.061 208 HG13 ILE 28 HG13 ILE 28 15.176 2.704 1.357 209 HG21 ILE 28 HG21 ILE 28 16.543 0.338 -1.116 210 HG22 ILE 28 HG22 ILE 28 14.942 -0.334 -0.795 211 HG23 ILE 28 HG23 ILE 28 16.373 -1.101 -0.108 212 HD11 ILE 28 HD11 ILE 28 16.183 2.178 -1.422 213 HD12 ILE 28 HD12 ILE 28 17.055 3.003 -0.127 214 HD13 ILE 28 HD13 ILE 28 15.600 3.728 -0.813 215 H GLU 29 H GLU 29 17.076 -1.123 2.559 216 HA GLU 29 HA GLU 29 16.612 -3.649 1.376 217 HB2 GLU 29 HB2 GLU 29 18.533 -3.041 3.619 218 HB3 GLU 29 HB3 GLU 29 18.653 -4.335 2.432 219 HG2 GLU 29 HG2 GLU 29 18.703 -1.433 1.669 220 HG3 GLU 29 HG3 GLU 29 20.160 -2.319 2.113 221 H MET 30 H MET 30 15.896 -2.285 4.477 222 HA MET 30 HA MET 30 15.398 -4.697 5.875 223 HB2 MET 30 HB2 MET 30 15.774 -2.511 6.968 224 HB3 MET 30 HB3 MET 30 14.243 -1.939 6.330 225 HG2 MET 30 HG2 MET 30 13.966 -2.535 8.629 226 HG3 MET 30 HG3 MET 30 13.086 -3.687 7.625 227 HE1 MET 30 HE1 MET 30 12.883 -5.868 8.689 228 HE2 MET 30 HE2 MET 30 14.260 -6.972 8.746 229 HE3 MET 30 HE3 MET 30 13.823 -6.183 7.229 230 H GLY 31 H GLY 31 13.467 -2.619 3.806 231 HA2 GLY 31 HA2 GLY 31 11.211 -4.483 4.160 232 HA3 GLY 31 HA3 GLY 31 11.024 -2.779 3.772 233 H ARG 32 H ARG 32 13.254 -5.167 2.394 234 HA ARG 32 HA ARG 32 11.849 -4.826 -0.159 235 HB2 ARG 32 HB2 ARG 32 13.781 -4.506 -1.370 236 HB3 ARG 32 HB3 ARG 32 14.175 -3.662 0.117 237 HG2 ARG 32 HG2 ARG 32 15.565 -5.450 0.851 238 HG3 ARG 32 HG3 ARG 32 15.009 -6.492 -0.467 239 HD2 ARG 32 HD2 ARG 32 16.597 -3.943 -0.747 240 HD3 ARG 32 HD3 ARG 32 17.209 -5.581 -0.969 241 HE ARG 32 HE ARG 32 15.451 -5.676 -2.826 242 HH11 ARG 32 HH11 ARG 32 17.277 -2.793 -1.919 243 HH12 ARG 32 HH12 ARG 32 17.072 -2.026 -3.556 244 HH21 ARG 32 HH21 ARG 32 15.220 -4.752 -4.906 245 HH22 ARG 32 HH22 ARG 32 15.951 -3.126 -5.222 246 H ASN 33 H ASN 33 11.373 -6.584 -1.263 247 HA ASN 33 HA ASN 33 11.047 -8.762 -1.800 248 HB2 ASN 33 HB2 ASN 33 13.743 -9.177 -0.492 249 HB3 ASN 33 HB3 ASN 33 12.894 -10.378 -1.455 250 HD21 ASN 33 HD21 ASN 33 15.509 -9.165 -1.853 251 HD22 ASN 33 HD22 ASN 33 15.464 -8.432 -3.424 252 H CYS 34 H CYS 34 10.182 -7.647 0.764 253 HA CYS 34 HA CYS 34 10.255 -9.987 2.507 254 HB2 CYS 34 HB2 CYS 34 9.183 -7.206 3.029 255 HB3 CYS 34 HB3 CYS 34 9.297 -8.505 4.213 256 HG CYS 34 HG CYS 34 11.362 -6.954 4.951 257 H LYS 35 H LYS 35 8.480 -11.156 3.030 258 HA LYS 35 HA LYS 35 6.255 -11.082 1.252 259 HB2 LYS 35 HB2 LYS 35 5.352 -12.883 2.883 260 HB3 LYS 35 HB3 LYS 35 6.767 -13.251 1.910 261 HG2 LYS 35 HG2 LYS 35 8.199 -12.727 3.858 262 HG3 LYS 35 HG3 LYS 35 6.750 -12.453 4.828 263 HD2 LYS 35 HD2 LYS 35 6.158 -14.702 4.787 264 HD3 LYS 35 HD3 LYS 35 7.149 -15.041 3.364 265 HE2 LYS 35 HE2 LYS 35 9.174 -14.725 4.692 266 HE3 LYS 35 HE3 LYS 35 8.193 -14.356 6.110 267 HZ1 LYS 35 HZ1 LYS 35 9.045 -16.673 5.993 268 HZ2 LYS 35 HZ2 LYS 35 8.053 -16.930 4.651 269 HZ3 LYS 35 HZ3 LYS 35 7.366 -16.561 6.150 270 H ILE 36 H ILE 36 5.348 -9.032 1.556 271 HA ILE 36 HA ILE 36 4.237 -8.324 4.134 272 HB ILE 36 HB ILE 36 3.746 -6.911 1.509 273 HG12 ILE 36 HG12 ILE 36 6.165 -7.057 1.847 274 HG13 ILE 36 HG13 ILE 36 5.607 -5.411 2.121 275 HG21 ILE 36 HG21 ILE 36 3.749 -5.808 4.310 276 HG22 ILE 36 HG22 ILE 36 2.302 -6.408 3.501 277 HG23 ILE 36 HG23 ILE 36 3.170 -5.022 2.838 278 HD11 ILE 36 HD11 ILE 36 6.441 -7.439 4.157 279 HD12 ILE 36 HD12 ILE 36 5.575 -5.962 4.572 280 HD13 ILE 36 HD13 ILE 36 7.162 -5.868 3.812 281 H VAL 37 H VAL 37 2.285 -8.902 4.787 282 HA VAL 37 HA VAL 37 0.427 -10.013 2.803 283 HB VAL 37 HB VAL 37 0.012 -10.154 5.774 284 HG11 VAL 37 HG11 VAL 37 -1.855 -10.765 4.337 285 HG12 VAL 37 HG12 VAL 37 -1.243 -12.159 5.225 286 HG13 VAL 37 HG13 VAL 37 -0.843 -11.957 3.518 287 HG21 VAL 37 HG21 VAL 37 2.315 -11.015 5.080 288 HG22 VAL 37 HG22 VAL 37 1.441 -12.306 4.255 289 HG23 VAL 37 HG23 VAL 37 1.274 -12.104 6.000 290 H THR 38 H THR 38 -1.343 -8.954 2.257 291 HA THR 38 HA THR 38 -2.134 -6.590 3.834 292 HB THR 38 HB THR 38 -2.778 -7.177 0.935 293 HG1 THR 38 HG1 THR 38 -0.460 -6.486 1.921 294 HG21 THR 38 HG21 THR 38 -3.198 -4.786 2.711 295 HG22 THR 38 HG22 THR 38 -4.398 -5.684 1.783 296 HG23 THR 38 HG23 THR 38 -3.216 -4.670 0.952 297 H GLU 39 H GLU 39 -3.733 -7.215 5.189 298 HA GLU 39 HA GLU 39 -5.761 -9.075 4.172 299 HB2 GLU 39 HB2 GLU 39 -5.422 -8.155 7.025 300 HB3 GLU 39 HB3 GLU 39 -6.334 -9.540 6.439 301 HG2 GLU 39 HG2 GLU 39 -4.021 -10.314 5.524 302 HG3 GLU 39 HG3 GLU 39 -3.393 -9.207 6.744 303 H VAL 40 H VAL 40 -7.503 -8.227 3.344 304 HA VAL 40 HA VAL 40 -8.407 -5.589 4.283 305 HB VAL 40 HB VAL 40 -8.975 -6.995 1.671 306 HG11 VAL 40 HG11 VAL 40 -9.719 -4.251 2.654 307 HG12 VAL 40 HG12 VAL 40 -10.806 -5.564 2.199 308 HG13 VAL 40 HG13 VAL 40 -9.826 -4.762 0.970 309 HG21 VAL 40 HG21 VAL 40 -7.112 -4.716 2.318 310 HG22 VAL 40 HG22 VAL 40 -7.525 -5.250 0.689 311 HG23 VAL 40 HG23 VAL 40 -6.660 -6.333 1.778 312 H VAL 41 H VAL 41 -10.385 -5.317 5.113 313 HA VAL 41 HA VAL 41 -12.298 -7.555 4.974 314 HB VAL 41 HB VAL 41 -11.934 -5.653 7.305 315 HG11 VAL 41 HG11 VAL 41 -13.751 -8.045 6.988 316 HG12 VAL 41 HG12 VAL 41 -14.256 -6.357 7.000 317 HG13 VAL 41 HG13 VAL 41 -13.566 -7.080 8.452 318 HG21 VAL 41 HG21 VAL 41 -11.265 -8.590 7.101 319 HG22 VAL 41 HG22 VAL 41 -11.132 -7.598 8.555 320 HG23 VAL 41 HG23 VAL 41 -10.098 -7.268 7.164 321 H GLN 42 H GLN 42 -14.310 -7.012 4.256 322 HA GLN 42 HA GLN 42 -14.718 -4.242 3.454 323 HB2 GLN 42 HB2 GLN 42 -15.110 -6.166 1.885 324 HB3 GLN 42 HB3 GLN 42 -16.483 -6.618 2.886 325 HG2 GLN 42 HG2 GLN 42 -17.456 -4.365 2.455 326 HG3 GLN 42 HG3 GLN 42 -16.144 -4.076 1.314 327 HE21 GLN 42 HE21 GLN 42 -17.498 -3.890 -0.434 328 HE22 GLN 42 HE22 GLN 42 -18.333 -5.241 -1.119 329 H ASN 43 H ASN 43 -15.680 -2.902 4.782 330 HA ASN 43 HA ASN 43 -17.985 -3.867 6.340 331 HB2 ASN 43 HB2 ASN 43 -16.061 -3.469 7.838 332 HB3 ASN 43 HB3 ASN 43 -15.919 -1.826 7.216 333 HD21 ASN 43 HD21 ASN 43 -16.272 -0.833 9.168 334 HD22 ASN 43 HD22 ASN 43 -17.799 -0.863 9.979 335 H GLY 44 H GLY 44 -19.168 -3.147 4.416 336 HA2 GLY 44 HA2 GLY 44 -20.636 -1.620 3.489 337 HA3 GLY 44 HA3 GLY 44 -20.137 -0.470 4.724 338 H ASN 45 H ASN 45 -18.759 1.129 4.197 339 HA ASN 45 HA ASN 45 -17.484 0.971 1.544 340 HB2 ASN 45 HB2 ASN 45 -19.116 3.072 2.740 341 HB3 ASN 45 HB3 ASN 45 -17.550 3.668 2.202 342 HD21 ASN 45 HD21 ASN 45 -19.257 0.981 0.767 343 HD22 ASN 45 HD22 ASN 45 -19.578 1.757 -0.752 344 H ASP 46 H ASP 46 -16.864 0.536 4.603 345 HA ASP 46 HA ASP 46 -14.352 2.043 4.701 346 HB2 ASP 46 HB2 ASP 46 -15.892 2.190 6.655 347 HB3 ASP 46 HB3 ASP 46 -15.762 0.445 6.853 348 H PHE 47 H PHE 47 -12.731 0.964 3.779 349 HA PHE 47 HA PHE 47 -12.619 -1.959 4.074 350 HB2 PHE 47 HB2 PHE 47 -11.349 -0.110 2.042 351 HB3 PHE 47 HB3 PHE 47 -10.971 -1.825 2.171 352 HD1 PHE 47 HD1 PHE 47 -13.680 0.588 1.444 353 HD2 PHE 47 HD2 PHE 47 -12.385 -3.462 1.238 354 HE1 PHE 47 HE1 PHE 47 -15.591 0.052 -0.014 355 HE2 PHE 47 HE2 PHE 47 -14.291 -4.003 -0.219 356 HZ PHE 47 HZ PHE 47 -15.899 -2.246 -0.846 357 H THR 48 H THR 48 -11.056 -2.851 5.233 358 HA THR 48 HA THR 48 -9.135 -1.070 6.505 359 HB THR 48 HB THR 48 -8.721 -3.492 7.674 360 HG1 THR 48 HG1 THR 48 -11.358 -3.763 7.831 361 HG21 THR 48 HG21 THR 48 -9.142 -1.441 8.872 362 HG22 THR 48 HG22 THR 48 -10.288 -2.659 9.432 363 HG23 THR 48 HG23 THR 48 -10.811 -1.408 8.305 364 H TRP 49 H TRP 49 -7.048 -1.033 6.029 365 HA TRP 49 HA TRP 49 -6.000 -3.153 4.271 366 HB2 TRP 49 HB2 TRP 49 -5.939 -0.342 3.996 367 HB3 TRP 49 HB3 TRP 49 -4.298 -0.827 4.400 368 HD1 TRP 49 HD1 TRP 49 -2.856 -1.591 2.419 369 HE1 TRP 49 HE1 TRP 49 -3.304 -2.322 -0.017 370 HE3 TRP 49 HE3 TRP 49 -7.970 -1.653 2.516 371 HZ2 TRP 49 HZ2 TRP 49 -5.526 -2.859 -1.662 372 HZ3 TRP 49 HZ3 TRP 49 -9.183 -2.276 0.467 373 HH2 TRP 49 HH2 TRP 49 -7.985 -2.868 -1.584 374 H THR 50 H THR 50 -5.105 -4.595 5.595 375 HA THR 50 HA THR 50 -3.446 -3.652 7.825 376 HB THR 50 HB THR 50 -4.217 -6.504 7.247 377 HG1 THR 50 HG1 THR 50 -6.186 -5.612 7.461 378 HG21 THR 50 HG21 THR 50 -3.475 -5.040 9.778 379 HG22 THR 50 HG22 THR 50 -2.466 -6.190 8.900 380 HG23 THR 50 HG23 THR 50 -3.950 -6.736 9.686 381 H GLN 51 H GLN 51 -1.311 -3.598 7.580 382 HA GLN 51 HA GLN 51 -0.076 -5.245 5.464 383 HB2 GLN 51 HB2 GLN 51 0.966 -2.761 6.853 384 HB3 GLN 51 HB3 GLN 51 1.816 -3.664 5.610 385 HG2 GLN 51 HG2 GLN 51 -0.839 -2.323 5.179 386 HG3 GLN 51 HG3 GLN 51 0.716 -1.576 4.825 387 HE21 GLN 51 HE21 GLN 51 -1.654 -3.840 3.819 388 HE22 GLN 51 HE22 GLN 51 -0.920 -4.267 2.311 389 H HIS 52 H HIS 52 0.918 -7.005 6.198 390 HA HIS 52 HA HIS 52 1.932 -6.985 8.953 391 HB2 HIS 52 HB2 HIS 52 1.156 -9.260 7.130 392 HB3 HIS 52 HB3 HIS 52 1.988 -9.501 8.660 393 HD2 HIS 52 HD2 HIS 52 -1.442 -9.639 7.389 394 HE1 HIS 52 HE1 HIS 52 -1.838 -8.363 11.402 395 HE2 HIS 52 HE2 HIS 52 -3.009 -9.487 9.448 396 H PHE 53 H PHE 53 3.956 -6.976 9.360 397 HA PHE 53 HA PHE 53 5.861 -7.459 7.183 398 HB2 PHE 53 HB2 PHE 53 5.712 -5.223 8.532 399 HB3 PHE 53 HB3 PHE 53 6.540 -6.131 9.793 400 HD1 PHE 53 HD1 PHE 53 7.000 -6.381 6.135 401 HD2 PHE 53 HD2 PHE 53 8.620 -5.141 9.856 402 HE1 PHE 53 HE1 PHE 53 9.171 -5.960 5.045 403 HE2 PHE 53 HE2 PHE 53 10.793 -4.713 8.782 404 HZ PHE 53 HZ PHE 53 11.071 -5.126 6.375 405 HA PRO 54 HA PRO 54 6.786 -11.251 9.378 406 HB2 PRO 54 HB2 PRO 54 9.021 -11.892 7.900 407 HB3 PRO 54 HB3 PRO 54 7.364 -12.214 7.359 408 HG2 PRO 54 HG2 PRO 54 9.192 -9.998 6.604 409 HG3 PRO 54 HG3 PRO 54 8.055 -10.921 5.598 410 HD2 PRO 54 HD2 PRO 54 7.496 -8.438 6.492 411 HD3 PRO 54 HD3 PRO 54 6.242 -9.674 6.272 412 H GLY 55 H GLY 55 7.584 -11.002 11.357 413 HA2 GLY 55 HA2 GLY 55 9.139 -10.769 13.033 414 HA3 GLY 55 HA3 GLY 55 10.382 -10.764 11.790 415 H GLY 56 H GLY 56 7.754 -8.452 11.781 416 HA2 GLY 56 HA2 GLY 56 9.503 -6.419 12.968 417 HA3 GLY 56 HA3 GLY 56 8.953 -6.169 11.323 418 H ARG 57 H ARG 57 8.089 -4.187 12.352 419 HA ARG 57 HA ARG 57 5.840 -4.446 14.113 420 HB2 ARG 57 HB2 ARG 57 5.677 -2.037 14.002 421 HB3 ARG 57 HB3 ARG 57 7.365 -2.488 14.182 422 HG2 ARG 57 HG2 ARG 57 7.683 -0.996 12.544 423 HG3 ARG 57 HG3 ARG 57 7.180 -2.314 11.485 424 HD2 ARG 57 HD2 ARG 57 5.918 -0.401 10.848 425 HD3 ARG 57 HD3 ARG 57 4.815 -1.456 11.736 426 HE ARG 57 HE ARG 57 6.047 0.460 13.458 427 HH11 ARG 57 HH11 ARG 57 3.519 0.080 11.018 428 HH12 ARG 57 HH12 ARG 57 2.530 1.443 11.689 429 HH21 ARG 57 HH21 ARG 57 4.801 2.192 14.305 430 HH22 ARG 57 HH22 ARG 57 3.237 2.611 13.497 431 H THR 58 H THR 58 3.695 -4.275 13.634 432 HA THR 58 HA THR 58 3.010 -4.618 10.819 433 HB THR 58 HB THR 58 2.173 -6.242 12.541 434 HG1 THR 58 HG1 THR 58 0.588 -6.553 11.168 435 HG21 THR 58 HG21 THR 58 1.682 -4.465 14.269 436 HG22 THR 58 HG22 THR 58 0.415 -5.666 14.032 437 HG23 THR 58 HG23 THR 58 0.249 -4.058 13.326 438 H THR 59 H THR 59 1.126 -3.529 9.955 439 HA THR 59 HA THR 59 0.512 -0.931 11.188 440 HB THR 59 HB THR 59 0.955 -1.029 8.226 441 HG1 THR 59 HG1 THR 59 2.844 -1.957 9.409 442 HG21 THR 59 HG21 THR 59 0.068 1.019 9.105 443 HG22 THR 59 HG22 THR 59 1.767 1.305 8.697 444 HG23 THR 59 HG23 THR 59 1.291 1.060 10.375 445 H THR 60 H THR 60 -1.665 -0.606 11.179 446 HA THR 60 HA THR 60 -3.271 -1.892 9.094 447 HB THR 60 HB THR 60 -4.136 -1.917 11.986 448 HG1 THR 60 HG1 THR 60 -2.295 -3.482 10.730 449 HG21 THR 60 HG21 THR 60 -5.060 -3.486 9.569 450 HG22 THR 60 HG22 THR 60 -5.910 -2.122 10.295 451 HG23 THR 60 HG23 THR 60 -5.711 -3.620 11.201 452 H ASN 61 H ASN 61 -4.522 -0.420 8.123 453 HA ASN 61 HA ASN 61 -5.565 1.811 9.746 454 HB2 ASN 61 HB2 ASN 61 -4.509 2.035 6.914 455 HB3 ASN 61 HB3 ASN 61 -5.229 3.342 7.853 456 HD21 ASN 61 HD21 ASN 61 -4.099 4.170 9.637 457 HD22 ASN 61 HD22 ASN 61 -2.393 3.944 9.804 458 H SER 62 H SER 62 -7.580 2.501 9.297 459 HA SER 62 HA SER 62 -9.106 0.894 7.380 460 HB2 SER 62 HB2 SER 62 -11.053 1.396 8.925 461 HB3 SER 62 HB3 SER 62 -9.803 0.357 9.604 462 HG SER 62 HG SER 62 -10.348 3.061 10.167 463 H PHE 63 H PHE 63 -10.130 1.991 5.789 464 HA PHE 63 HA PHE 63 -10.451 4.888 6.155 465 HB2 PHE 63 HB2 PHE 63 -9.741 5.250 3.816 466 HB3 PHE 63 HB3 PHE 63 -8.450 4.594 4.813 467 HD1 PHE 63 HD1 PHE 63 -10.866 3.846 2.150 468 HD2 PHE 63 HD2 PHE 63 -7.510 2.454 4.359 469 HE1 PHE 63 HE1 PHE 63 -10.558 2.028 0.522 470 HE2 PHE 63 HE2 PHE 63 -7.184 0.637 2.733 471 HZ PHE 63 HZ PHE 63 -8.713 0.424 0.809 472 H THR 64 H THR 64 -12.257 5.759 5.339 473 HA THR 64 HA THR 64 -14.179 3.908 4.130 474 HB THR 64 HB THR 64 -14.580 6.428 5.753 475 HG1 THR 64 HG1 THR 64 -14.324 3.942 6.486 476 HG21 THR 64 HG21 THR 64 -16.572 4.822 4.172 477 HG22 THR 64 HG22 THR 64 -16.268 6.562 4.116 478 HG23 THR 64 HG23 THR 64 -17.037 5.847 5.533 479 H ILE 65 H ILE 65 -14.853 4.265 2.104 480 HA ILE 65 HA ILE 65 -13.601 6.016 0.367 481 HB ILE 65 HB ILE 65 -16.374 4.852 0.115 482 HG12 ILE 65 HG12 ILE 65 -14.721 3.123 0.502 483 HG13 ILE 65 HG13 ILE 65 -15.245 3.068 -1.177 484 HG21 ILE 65 HG21 ILE 65 -14.529 5.878 -2.030 485 HG22 ILE 65 HG22 ILE 65 -16.007 6.662 -1.477 486 HG23 ILE 65 HG23 ILE 65 -16.088 5.097 -2.290 487 HD11 ILE 65 HD11 ILE 65 -12.882 2.740 -1.101 488 HD12 ILE 65 HD12 ILE 65 -12.657 4.186 -0.114 489 HD13 ILE 65 HD13 ILE 65 -13.192 4.334 -1.789 490 H ASP 66 H ASP 66 -13.708 8.099 0.014 491 HA ASP 66 HA ASP 66 -14.342 10.257 -0.109 492 HB2 ASP 66 HB2 ASP 66 -16.554 9.124 -0.960 493 HB3 ASP 66 HB3 ASP 66 -17.189 9.649 0.596 494 H LYS 67 H LYS 67 -13.523 8.958 2.342 495 HA LYS 67 HA LYS 67 -14.485 10.987 4.233 496 HB2 LYS 67 HB2 LYS 67 -15.692 8.886 4.640 497 HB3 LYS 67 HB3 LYS 67 -14.174 8.034 4.802 498 HG2 LYS 67 HG2 LYS 67 -14.730 8.339 6.989 499 HG3 LYS 67 HG3 LYS 67 -13.734 9.771 6.706 500 HD2 LYS 67 HD2 LYS 67 -15.944 10.148 7.917 501 HD3 LYS 67 HD3 LYS 67 -15.635 11.174 6.514 502 HE2 LYS 67 HE2 LYS 67 -17.122 9.983 5.166 503 HE3 LYS 67 HE3 LYS 67 -17.153 8.601 6.262 504 HZ1 LYS 67 HZ1 LYS 67 -18.245 10.180 7.895 505 HZ2 LYS 67 HZ2 LYS 67 -19.181 9.711 6.568 506 HZ3 LYS 67 HZ3 LYS 67 -18.461 11.240 6.593 507 H GLU 68 H GLU 68 -12.996 11.559 5.856 508 HA GLU 68 HA GLU 68 -10.232 11.324 5.174 509 HB2 GLU 68 HB2 GLU 68 -11.607 12.421 7.650 510 HB3 GLU 68 HB3 GLU 68 -9.878 12.517 7.362 511 HG2 GLU 68 HG2 GLU 68 -11.885 13.677 5.464 512 HG3 GLU 68 HG3 GLU 68 -11.228 14.575 6.831 513 H ALA 69 H ALA 69 -8.779 9.837 5.898 514 HA ALA 69 HA ALA 69 -9.647 8.114 8.120 515 HB1 ALA 69 HB1 ALA 69 -8.363 7.216 5.560 516 HB2 ALA 69 HB2 ALA 69 -10.011 6.878 6.100 517 HB3 ALA 69 HB3 ALA 69 -8.632 6.195 6.971 518 H ASP 70 H ASP 70 -8.201 7.632 9.618 519 HA ASP 70 HA ASP 70 -5.734 9.082 9.698 520 HB2 ASP 70 HB2 ASP 70 -7.091 8.605 11.740 521 HB3 ASP 70 HB3 ASP 70 -6.727 6.890 11.541 522 H MET 71 H MET 71 -3.940 8.451 8.714 523 HA MET 71 HA MET 71 -3.562 5.539 8.344 524 HB2 MET 71 HB2 MET 71 -2.633 7.743 6.517 525 HB3 MET 71 HB3 MET 71 -2.430 6.015 6.252 526 HG2 MET 71 HG2 MET 71 -4.674 5.675 5.844 527 HG3 MET 71 HG3 MET 71 -5.149 7.166 6.653 528 HE1 MET 71 HE1 MET 71 -6.688 8.312 4.355 529 HE2 MET 71 HE2 MET 71 -6.583 6.566 4.574 530 HE3 MET 71 HE3 MET 71 -6.298 7.271 2.985 531 H GLU 72 H GLU 72 -1.320 4.844 7.980 532 HA GLU 72 HA GLU 72 0.813 6.480 9.039 533 HB2 GLU 72 HB2 GLU 72 0.060 5.655 11.135 534 HB3 GLU 72 HB3 GLU 72 -0.245 4.048 10.496 535 HG2 GLU 72 HG2 GLU 72 2.168 3.715 10.229 536 HG3 GLU 72 HG3 GLU 72 2.466 5.316 10.885 537 H THR 73 H THR 73 2.820 5.748 8.296 538 HA THR 73 HA THR 73 2.672 3.555 6.356 539 HB THR 73 HB THR 73 4.743 4.368 5.422 540 HG1 THR 73 HG1 THR 73 5.978 5.870 6.399 541 HG21 THR 73 HG21 THR 73 2.377 5.818 5.398 542 HG22 THR 73 HG22 THR 73 3.731 6.004 4.288 543 HG23 THR 73 HG23 THR 73 3.624 7.028 5.716 544 H MET 74 H MET 74 4.841 2.319 6.192 545 HA MET 74 HA MET 74 5.257 1.073 8.735 546 HB2 MET 74 HB2 MET 74 6.172 0.603 5.935 547 HB3 MET 74 HB3 MET 74 7.160 -0.057 7.227 548 HG2 MET 74 HG2 MET 74 5.168 -1.222 8.099 549 HG3 MET 74 HG3 MET 74 4.261 -0.637 6.704 550 HE1 MET 74 HE1 MET 74 3.590 -3.119 6.089 551 HE2 MET 74 HE2 MET 74 4.499 -3.753 7.458 552 HE3 MET 74 HE3 MET 74 4.743 -4.427 5.847 553 H GLY 75 H GLY 75 6.599 3.747 7.154 554 HA2 GLY 75 HA2 GLY 75 9.262 3.494 8.278 555 HA3 GLY 75 HA3 GLY 75 8.640 4.859 7.356 556 H GLY 76 H GLY 76 6.271 4.379 9.414 557 HA2 GLY 76 HA2 GLY 76 5.863 4.998 11.645 558 HA3 GLY 76 HA3 GLY 76 7.485 5.670 11.733 559 H ARG 77 H ARG 77 5.222 6.370 9.136 560 HA ARG 77 HA ARG 77 5.283 9.173 9.971 561 HB2 ARG 77 HB2 ARG 77 4.162 8.050 7.403 562 HB3 ARG 77 HB3 ARG 77 4.525 9.727 7.765 563 HG2 ARG 77 HG2 ARG 77 6.890 9.209 7.812 564 HG3 ARG 77 HG3 ARG 77 6.533 7.515 7.499 565 HD2 ARG 77 HD2 ARG 77 6.845 8.122 5.359 566 HD3 ARG 77 HD3 ARG 77 5.175 8.642 5.490 567 HE ARG 77 HE ARG 77 6.091 10.901 5.982 568 HH11 ARG 77 HH11 ARG 77 8.030 8.537 4.237 569 HH12 ARG 77 HH12 ARG 77 8.935 9.800 3.324 570 HH21 ARG 77 HH21 ARG 77 7.240 12.518 4.870 571 HH22 ARG 77 HH22 ARG 77 8.542 12.022 3.722 572 H LYS 78 H LYS 78 3.605 10.098 10.930 573 HA LYS 78 HA LYS 78 1.040 8.673 10.905 574 HB2 LYS 78 HB2 LYS 78 2.148 10.710 12.839 575 HB3 LYS 78 HB3 LYS 78 0.489 10.140 12.884 576 HG2 LYS 78 HG2 LYS 78 1.432 8.741 14.420 577 HG3 LYS 78 HG3 LYS 78 1.640 7.776 12.959 578 HD2 LYS 78 HD2 LYS 78 3.920 9.160 12.873 579 HD3 LYS 78 HD3 LYS 78 3.655 9.193 14.614 580 HE2 LYS 78 HE2 LYS 78 3.852 6.757 12.844 581 HE3 LYS 78 HE3 LYS 78 5.030 7.293 14.040 582 HZ1 LYS 78 HZ1 LYS 78 2.631 7.032 15.386 583 HZ2 LYS 78 HZ2 LYS 78 3.982 6.026 15.500 584 HZ3 LYS 78 HZ3 LYS 78 2.746 5.658 14.397 585 H PHE 79 H PHE 79 -0.542 9.442 9.747 586 HA PHE 79 HA PHE 79 -1.008 12.240 9.296 587 HB2 PHE 79 HB2 PHE 79 -0.695 12.179 6.846 588 HB3 PHE 79 HB3 PHE 79 0.822 11.815 7.668 589 HD1 PHE 79 HD1 PHE 79 1.626 9.464 7.791 590 HD2 PHE 79 HD2 PHE 79 -1.724 10.585 5.415 591 HE1 PHE 79 HE1 PHE 79 1.791 7.344 6.573 592 HE2 PHE 79 HE2 PHE 79 -1.573 8.458 4.192 593 HZ PHE 79 HZ PHE 79 0.180 6.824 4.770 594 H LYS 80 H LYS 80 -2.810 12.348 7.442 595 HA LYS 80 HA LYS 80 -4.414 9.944 7.309 596 HB2 LYS 80 HB2 LYS 80 -6.391 10.914 8.201 597 HB3 LYS 80 HB3 LYS 80 -5.102 11.232 9.350 598 HG2 LYS 80 HG2 LYS 80 -5.400 13.328 7.401 599 HG3 LYS 80 HG3 LYS 80 -6.853 13.070 8.366 600 HD2 LYS 80 HD2 LYS 80 -5.664 13.397 10.389 601 HD3 LYS 80 HD3 LYS 80 -4.108 13.352 9.558 602 HE2 LYS 80 HE2 LYS 80 -4.867 15.401 8.300 603 HE3 LYS 80 HE3 LYS 80 -6.214 15.489 9.437 604 HZ1 LYS 80 HZ1 LYS 80 -4.165 16.842 9.981 605 HZ2 LYS 80 HZ2 LYS 80 -3.406 15.376 10.348 606 HZ3 LYS 80 HZ3 LYS 80 -4.774 15.859 11.215 607 H ALA 81 H ALA 81 -6.049 10.088 5.621 608 HA ALA 81 HA ALA 81 -5.948 12.369 3.853 609 HB1 ALA 81 HB1 ALA 81 -5.085 11.199 1.926 610 HB2 ALA 81 HB2 ALA 81 -4.922 9.717 2.868 611 HB3 ALA 81 HB3 ALA 81 -3.920 11.116 3.247 612 H THR 82 H THR 82 -7.333 12.098 1.932 613 HA THR 82 HA THR 82 -9.746 10.617 2.655 614 HB THR 82 HB THR 82 -9.754 12.245 0.192 615 HG1 THR 82 HG1 THR 82 -9.742 13.665 2.649 616 HG21 THR 82 HG21 THR 82 -11.506 12.209 2.657 617 HG22 THR 82 HG22 THR 82 -11.789 11.276 1.185 618 HG23 THR 82 HG23 THR 82 -11.867 13.040 1.147 619 H VAL 83 H VAL 83 -10.555 8.960 1.470 620 HA VAL 83 HA VAL 83 -9.028 8.098 -0.904 621 HB VAL 83 HB VAL 83 -10.340 6.308 1.159 622 HG11 VAL 83 HG11 VAL 83 -9.091 4.525 -0.067 623 HG12 VAL 83 HG12 VAL 83 -8.749 5.718 -1.319 624 HG13 VAL 83 HG13 VAL 83 -10.418 5.263 -0.965 625 HG21 VAL 83 HG21 VAL 83 -8.371 7.301 2.119 626 HG22 VAL 83 HG22 VAL 83 -7.428 6.912 0.680 627 HG23 VAL 83 HG23 VAL 83 -8.031 5.618 1.715 628 H LYS 84 H LYS 84 -10.289 7.304 -2.648 629 HA LYS 84 HA LYS 84 -13.175 7.188 -2.231 630 HB2 LYS 84 HB2 LYS 84 -13.650 8.560 -4.141 631 HB3 LYS 84 HB3 LYS 84 -12.688 9.459 -2.977 632 HG2 LYS 84 HG2 LYS 84 -11.044 8.087 -4.902 633 HG3 LYS 84 HG3 LYS 84 -12.195 9.170 -5.661 634 HD2 LYS 84 HD2 LYS 84 -11.399 10.892 -3.912 635 HD3 LYS 84 HD3 LYS 84 -10.026 9.803 -3.706 636 HE2 LYS 84 HE2 LYS 84 -9.502 11.558 -5.312 637 HE3 LYS 84 HE3 LYS 84 -9.526 9.975 -6.091 638 HZ1 LYS 84 HZ1 LYS 84 -11.589 10.433 -7.094 639 HZ2 LYS 84 HZ2 LYS 84 -10.684 11.853 -7.298 640 HZ3 LYS 84 HZ3 LYS 84 -11.876 11.777 -6.104 641 H MET 85 H MET 85 -14.266 6.398 -4.353 642 HA MET 85 HA MET 85 -12.548 4.311 -5.530 643 HB2 MET 85 HB2 MET 85 -15.026 4.086 -4.083 644 HB3 MET 85 HB3 MET 85 -15.237 3.497 -5.724 645 HG2 MET 85 HG2 MET 85 -13.313 2.016 -5.420 646 HG3 MET 85 HG3 MET 85 -13.162 2.579 -3.755 647 HE1 MET 85 HE1 MET 85 -14.501 -0.839 -2.839 648 HE2 MET 85 HE2 MET 85 -13.683 0.573 -2.162 649 HE3 MET 85 HE3 MET 85 -13.094 -0.159 -3.658 650 H GLU 86 H GLU 86 -12.299 4.475 -7.663 651 HA GLU 86 HA GLU 86 -14.392 5.892 -9.185 652 HB2 GLU 86 HB2 GLU 86 -11.467 5.808 -9.930 653 HB3 GLU 86 HB3 GLU 86 -12.724 6.810 -10.632 654 HG2 GLU 86 HG2 GLU 86 -11.813 7.050 -7.783 655 HG3 GLU 86 HG3 GLU 86 -11.132 7.984 -9.109 656 H GLY 87 H GLY 87 -15.507 4.151 -9.942 657 HA2 GLY 87 HA2 GLY 87 -16.008 2.519 -11.483 658 HA3 GLY 87 HA3 GLY 87 -14.425 2.784 -12.193 659 H GLY 88 H GLY 88 -15.071 1.803 -8.860 660 HA2 GLY 88 HA2 GLY 88 -14.769 -0.258 -7.829 661 HA3 GLY 88 HA3 GLY 88 -14.441 -0.960 -9.403 662 H LYS 89 H LYS 89 -12.758 1.857 -8.282 663 HA LYS 89 HA LYS 89 -10.383 0.258 -7.643 664 HB2 LYS 89 HB2 LYS 89 -10.345 2.757 -9.350 665 HB3 LYS 89 HB3 LYS 89 -8.949 1.805 -8.866 666 HG2 LYS 89 HG2 LYS 89 -10.017 -0.121 -10.134 667 HG3 LYS 89 HG3 LYS 89 -11.108 1.089 -10.819 668 HD2 LYS 89 HD2 LYS 89 -9.149 2.360 -11.620 669 HD3 LYS 89 HD3 LYS 89 -8.091 1.100 -10.984 670 HE2 LYS 89 HE2 LYS 89 -9.428 -0.502 -12.461 671 HE3 LYS 89 HE3 LYS 89 -10.040 0.945 -13.262 672 HZ1 LYS 89 HZ1 LYS 89 -8.130 0.101 -14.432 673 HZ2 LYS 89 HZ2 LYS 89 -7.191 0.124 -13.021 674 HZ3 LYS 89 HZ3 LYS 89 -7.718 1.579 -13.713 675 H ILE 90 H ILE 90 -9.692 0.784 -5.680 676 HA ILE 90 HA ILE 90 -10.649 3.170 -4.387 677 HB ILE 90 HB ILE 90 -8.534 1.335 -3.290 678 HG12 ILE 90 HG12 ILE 90 -11.494 0.920 -3.534 679 HG13 ILE 90 HG13 ILE 90 -10.201 -0.244 -3.786 680 HG21 ILE 90 HG21 ILE 90 -8.915 3.414 -2.117 681 HG22 ILE 90 HG22 ILE 90 -9.478 2.046 -1.155 682 HG23 ILE 90 HG23 ILE 90 -10.639 3.059 -2.015 683 HD11 ILE 90 HD11 ILE 90 -9.803 -0.243 -1.342 684 HD12 ILE 90 HD12 ILE 90 -11.406 -0.818 -1.802 685 HD13 ILE 90 HD13 ILE 90 -11.208 0.814 -1.148 686 H VAL 91 H VAL 91 -9.756 5.061 -4.852 687 HA VAL 91 HA VAL 91 -6.843 5.152 -5.240 688 HB VAL 91 HB VAL 91 -7.918 5.801 -7.283 689 HG11 VAL 91 HG11 VAL 91 -9.422 7.933 -5.808 690 HG12 VAL 91 HG12 VAL 91 -10.113 6.365 -6.216 691 HG13 VAL 91 HG13 VAL 91 -9.587 7.460 -7.496 692 HG21 VAL 91 HG21 VAL 91 -5.984 7.101 -6.880 693 HG22 VAL 91 HG22 VAL 91 -6.826 8.131 -5.722 694 HG23 VAL 91 HG23 VAL 91 -7.218 8.233 -7.439 695 H ALA 92 H ALA 92 -5.668 6.388 -3.983 696 HA ALA 92 HA ALA 92 -7.034 8.006 -1.940 697 HB1 ALA 92 HB1 ALA 92 -5.565 5.975 -1.314 698 HB2 ALA 92 HB2 ALA 92 -5.339 7.488 -0.434 699 HB3 ALA 92 HB3 ALA 92 -4.208 7.033 -1.710 700 H ASP 93 H ASP 93 -6.524 10.129 -1.723 701 HA ASP 93 HA ASP 93 -4.858 11.273 -3.827 702 HB2 ASP 93 HB2 ASP 93 -7.020 12.250 -3.666 703 HB3 ASP 93 HB3 ASP 93 -6.858 12.491 -1.928 704 H PHE 94 H PHE 94 -2.885 11.929 -3.495 705 HA PHE 94 HA PHE 94 -2.064 12.968 -0.890 706 HB2 PHE 94 HB2 PHE 94 -0.771 10.648 -2.317 707 HB3 PHE 94 HB3 PHE 94 0.078 11.603 -1.108 708 HD1 PHE 94 HD1 PHE 94 -0.736 11.621 1.229 709 HD2 PHE 94 HD2 PHE 94 -2.317 8.987 -1.715 710 HE1 PHE 94 HE1 PHE 94 -1.687 10.211 3.004 711 HE2 PHE 94 HE2 PHE 94 -3.269 7.575 0.061 712 HZ PHE 94 HZ PHE 94 -2.948 8.182 2.422 713 HA PRO 95 HA PRO 95 0.177 15.763 -3.476 714 HB2 PRO 95 HB2 PRO 95 2.061 16.662 -1.746 715 HB3 PRO 95 HB3 PRO 95 0.347 17.083 -1.574 716 HG2 PRO 95 HG2 PRO 95 1.940 15.054 -0.106 717 HG3 PRO 95 HG3 PRO 95 0.705 16.181 0.498 718 HD2 PRO 95 HD2 PRO 95 0.218 13.544 -0.039 719 HD3 PRO 95 HD3 PRO 95 -1.018 14.813 -0.109 720 H ASN 96 H ASN 96 1.357 14.969 -5.099 721 HA ASN 96 HA ASN 96 3.134 14.194 -6.293 722 HB2 ASN 96 HB2 ASN 96 4.490 15.611 -4.721 723 HB3 ASN 96 HB3 ASN 96 4.674 14.199 -3.686 724 HD21 ASN 96 HD21 ASN 96 6.839 13.962 -3.857 725 HD22 ASN 96 HD22 ASN 96 7.663 13.579 -5.329 726 H TYR 97 H TYR 97 1.256 12.521 -4.525 727 HA TYR 97 HA TYR 97 2.552 9.968 -5.110 728 HB2 TYR 97 HB2 TYR 97 2.956 10.679 -2.671 729 HB3 TYR 97 HB3 TYR 97 1.235 10.413 -2.435 730 HD1 TYR 97 HD1 TYR 97 0.400 8.005 -3.287 731 HD2 TYR 97 HD2 TYR 97 4.390 8.961 -2.165 732 HE1 TYR 97 HE1 TYR 97 0.838 5.629 -2.842 733 HE2 TYR 97 HE2 TYR 97 4.835 6.586 -1.714 734 HH TYR 97 HH TYR 97 2.579 4.080 -2.581 735 H HIS 98 H HIS 98 1.165 8.684 -6.095 736 HA HIS 98 HA HIS 98 -1.722 9.113 -5.703 737 HB2 HIS 98 HB2 HIS 98 -0.626 9.847 -7.947 738 HB3 HIS 98 HB3 HIS 98 -0.548 8.124 -8.287 739 HD1 HIS 98 HD1 HIS 98 -3.123 10.806 -7.507 740 HD2 HIS 98 HD2 HIS 98 -2.836 7.070 -9.308 741 HE1 HIS 98 HE1 HIS 98 -5.357 10.394 -8.571 742 HE2 HIS 98 HE2 HIS 98 -5.097 8.220 -9.815 743 H HIS 99 H HIS 99 -2.615 7.375 -4.771 744 HA HIS 99 HA HIS 99 -1.373 4.742 -5.263 745 HB2 HIS 99 HB2 HIS 99 -1.405 5.888 -2.868 746 HB3 HIS 99 HB3 HIS 99 -3.048 5.257 -2.837 747 HD2 HIS 99 HD2 HIS 99 -2.981 2.313 -3.534 748 HE1 HIS 99 HE1 HIS 99 0.621 1.974 -1.345 749 HE2 HIS 99 HE2 HIS 99 -1.338 0.697 -2.320 750 H THR 100 H THR 100 -2.603 3.465 -6.491 751 HA THR 100 HA THR 100 -5.537 3.603 -6.169 752 HB THR 100 HB THR 100 -5.664 2.922 -8.611 753 HG1 THR 100 HG1 THR 100 -3.585 2.309 -9.067 754 HG21 THR 100 HG21 THR 100 -6.150 5.210 -7.885 755 HG22 THR 100 HG22 THR 100 -5.346 5.203 -9.455 756 HG23 THR 100 HG23 THR 100 -4.439 5.617 -7.997 757 H ALA 101 H ALA 101 -6.487 1.720 -5.693 758 HA ALA 101 HA ALA 101 -4.943 -0.757 -6.082 759 HB1 ALA 101 HB1 ALA 101 -6.931 0.023 -3.968 760 HB2 ALA 101 HB2 ALA 101 -5.241 -0.432 -3.759 761 HB3 ALA 101 HB3 ALA 101 -6.429 -1.646 -4.233 762 H GLU 102 H GLU 102 -5.806 -2.322 -7.298 763 HA GLU 102 HA GLU 102 -8.662 -2.324 -7.897 764 HB2 GLU 102 HB2 GLU 102 -8.313 -2.426 -10.297 765 HB3 GLU 102 HB3 GLU 102 -7.613 -0.937 -9.667 766 HG2 GLU 102 HG2 GLU 102 -5.402 -1.928 -9.732 767 HG3 GLU 102 HG3 GLU 102 -6.081 -3.452 -10.281 768 H ILE 103 H ILE 103 -9.095 -4.234 -9.456 769 HA ILE 103 HA ILE 103 -7.407 -6.523 -8.699 770 HB ILE 103 HB ILE 103 -10.411 -6.598 -9.012 771 HG12 ILE 103 HG12 ILE 103 -9.631 -5.417 -6.939 772 HG13 ILE 103 HG13 ILE 103 -10.566 -6.873 -6.623 773 HG21 ILE 103 HG21 ILE 103 -8.489 -8.725 -8.088 774 HG22 ILE 103 HG22 ILE 103 -9.242 -8.645 -9.679 775 HG23 ILE 103 HG23 ILE 103 -10.240 -8.890 -8.246 776 HD11 ILE 103 HD11 ILE 103 -8.535 -8.103 -6.152 777 HD12 ILE 103 HD12 ILE 103 -8.655 -6.671 -5.129 778 HD13 ILE 103 HD13 ILE 103 -7.568 -6.672 -6.518 779 H SER 104 H SER 104 -6.417 -7.165 -10.484 780 HA SER 104 HA SER 104 -8.019 -7.439 -12.932 781 HB2 SER 104 HB2 SER 104 -5.217 -6.304 -12.736 782 HB3 SER 104 HB3 SER 104 -6.019 -6.726 -14.249 783 HG SER 104 HG SER 104 -6.188 -4.454 -12.924 784 H GLY 105 H GLY 105 -8.204 -9.565 -13.145 785 HA2 GLY 105 HA2 GLY 105 -7.435 -11.663 -13.817 786 HA3 GLY 105 HA3 GLY 105 -5.790 -11.156 -13.459 787 H GLY 106 H GLY 106 -8.379 -10.743 -11.174 788 HA2 GLY 106 HA2 GLY 106 -8.799 -11.724 -9.134 789 HA3 GLY 106 HA3 GLY 106 -7.985 -13.162 -9.738 790 H LYS 107 H LYS 107 -6.491 -10.020 -9.627 791 HA LYS 107 HA LYS 107 -4.885 -10.779 -7.301 792 HB2 LYS 107 HB2 LYS 107 -3.930 -10.262 -10.074 793 HB3 LYS 107 HB3 LYS 107 -2.954 -9.658 -8.749 794 HG2 LYS 107 HG2 LYS 107 -2.470 -11.778 -7.954 795 HG3 LYS 107 HG3 LYS 107 -3.822 -12.516 -8.817 796 HD2 LYS 107 HD2 LYS 107 -2.681 -12.611 -10.799 797 HD3 LYS 107 HD3 LYS 107 -1.720 -11.175 -10.433 798 HE2 LYS 107 HE2 LYS 107 -0.204 -12.965 -10.350 799 HE3 LYS 107 HE3 LYS 107 -0.565 -12.581 -8.669 800 HZ1 LYS 107 HZ1 LYS 107 -1.388 -14.913 -10.254 801 HZ2 LYS 107 HZ2 LYS 107 -2.357 -14.407 -8.967 802 HZ3 LYS 107 HZ3 LYS 107 -0.747 -14.845 -8.687 803 H LEU 108 H LEU 108 -4.000 -9.060 -6.191 804 HA LEU 108 HA LEU 108 -5.341 -6.503 -6.649 805 HB2 LEU 108 HB2 LEU 108 -5.417 -7.572 -4.407 806 HB3 LEU 108 HB3 LEU 108 -3.672 -7.494 -4.321 807 HG LEU 108 HG LEU 108 -5.069 -5.750 -3.038 808 HD11 LEU 108 HD11 LEU 108 -2.600 -5.728 -3.394 809 HD12 LEU 108 HD12 LEU 108 -3.339 -4.140 -3.189 810 HD13 LEU 108 HD13 LEU 108 -2.880 -4.696 -4.798 811 HD21 LEU 108 HD21 LEU 108 -5.138 -4.496 -5.773 812 HD22 LEU 108 HD22 LEU 108 -5.656 -3.744 -4.265 813 HD23 LEU 108 HD23 LEU 108 -6.533 -5.135 -4.906 814 H VAL 109 H VAL 109 -4.304 -5.111 -7.887 815 HA VAL 109 HA VAL 109 -1.380 -4.989 -7.641 816 HB VAL 109 HB VAL 109 -1.809 -5.740 -9.853 817 HG11 VAL 109 HG11 VAL 109 -3.779 -3.483 -10.121 818 HG12 VAL 109 HG12 VAL 109 -4.151 -5.206 -10.052 819 HG13 VAL 109 HG13 VAL 109 -3.271 -4.548 -11.433 820 HG21 VAL 109 HG21 VAL 109 -0.772 -4.058 -11.177 821 HG22 VAL 109 HG22 VAL 109 -0.146 -3.881 -9.536 822 HG23 VAL 109 HG23 VAL 109 -1.381 -2.773 -10.134 823 H GLU 110 H GLU 110 -0.867 -3.350 -6.442 824 HA GLU 110 HA GLU 110 -2.508 -0.931 -6.459 825 HB2 GLU 110 HB2 GLU 110 -0.484 -2.099 -4.586 826 HB3 GLU 110 HB3 GLU 110 -0.762 -0.364 -4.562 827 HG2 GLU 110 HG2 GLU 110 -3.051 -0.668 -3.970 828 HG3 GLU 110 HG3 GLU 110 -2.939 -2.411 -4.222 829 H ILE 111 H ILE 111 -1.862 0.900 -7.361 830 HA ILE 111 HA ILE 111 0.889 1.015 -8.404 831 HB ILE 111 HB ILE 111 -1.630 2.305 -9.470 832 HG12 ILE 111 HG12 ILE 111 -0.519 1.029 -11.571 833 HG13 ILE 111 HG13 ILE 111 0.057 -0.006 -10.271 834 HG21 ILE 111 HG21 ILE 111 0.295 3.844 -9.575 835 HG22 ILE 111 HG22 ILE 111 -0.275 3.350 -11.170 836 HG23 ILE 111 HG23 ILE 111 1.183 2.624 -10.490 837 HD11 ILE 111 HD11 ILE 111 -2.226 -0.407 -9.553 838 HD12 ILE 111 HD12 ILE 111 -2.012 -0.826 -11.254 839 HD13 ILE 111 HD13 ILE 111 -2.821 0.676 -10.813 840 H SER 112 H SER 112 2.176 2.459 -7.535 841 HA SER 112 HA SER 112 1.003 4.782 -6.138 842 HB2 SER 112 HB2 SER 112 3.531 3.289 -5.375 843 HB3 SER 112 HB3 SER 112 2.804 4.635 -4.504 844 HG SER 112 HG SER 112 0.877 3.049 -4.522 845 H THR 113 H THR 113 1.401 6.499 -7.362 846 HA THR 113 HA THR 113 3.891 6.620 -8.908 847 HB THR 113 HB THR 113 1.869 8.768 -9.147 848 HG1 THR 113 HG1 THR 113 1.341 6.052 -9.605 849 HG21 THR 113 HG21 THR 113 3.574 7.142 -11.027 850 HG22 THR 113 HG22 THR 113 3.730 8.853 -10.618 851 HG23 THR 113 HG23 THR 113 2.364 8.298 -11.586 852 H SER 114 H SER 114 5.468 8.034 -8.462 853 HA SER 114 HA SER 114 4.926 10.309 -6.726 854 HB2 SER 114 HB2 SER 114 7.082 8.263 -6.134 855 HB3 SER 114 HB3 SER 114 6.881 9.803 -5.293 856 HG SER 114 HG SER 114 4.550 8.737 -5.145 857 H SER 115 H SER 115 5.486 11.904 -8.025 858 HA SER 115 HA SER 115 6.674 13.275 -9.366 859 HB2 SER 115 HB2 SER 115 9.027 11.698 -8.293 860 HB3 SER 115 HB3 SER 115 9.137 13.241 -9.145 861 HG SER 115 HG SER 115 7.353 13.458 -7.160 862 H GLY 116 H GLY 116 5.586 10.852 -10.506 863 HA2 GLY 116 HA2 GLY 116 5.626 10.450 -12.879 864 HA3 GLY 116 HA3 GLY 116 7.360 10.716 -12.851 865 H VAL 117 H VAL 117 7.896 9.027 -10.576 866 HA VAL 117 HA VAL 117 8.170 6.561 -11.951 867 HB VAL 117 HB VAL 117 8.571 7.110 -9.002 868 HG11 VAL 117 HG11 VAL 117 8.378 4.736 -9.449 869 HG12 VAL 117 HG12 VAL 117 10.062 5.137 -9.104 870 HG13 VAL 117 HG13 VAL 117 9.546 4.856 -10.767 871 HG21 VAL 117 HG21 VAL 117 10.942 7.386 -9.577 872 HG22 VAL 117 HG22 VAL 117 9.938 8.584 -10.395 873 HG23 VAL 117 HG23 VAL 117 10.552 7.195 -11.287 874 H VAL 118 H VAL 118 6.786 4.962 -12.151 875 HA VAL 118 HA VAL 118 4.408 4.879 -10.443 876 HB VAL 118 HB VAL 118 4.952 3.493 -13.076 877 HG11 VAL 118 HG11 VAL 118 2.350 3.687 -11.581 878 HG12 VAL 118 HG12 VAL 118 3.419 2.289 -11.503 879 HG13 VAL 118 HG13 VAL 118 2.685 2.754 -13.039 880 HG21 VAL 118 HG21 VAL 118 4.693 5.971 -13.171 881 HG22 VAL 118 HG22 VAL 118 3.082 5.778 -12.477 882 HG23 VAL 118 HG23 VAL 118 3.452 5.085 -14.058 883 H TYR 119 H TYR 119 4.698 3.648 -8.714 884 HA TYR 119 HA TYR 119 6.330 1.228 -8.838 885 HB2 TYR 119 HB2 TYR 119 6.656 2.725 -6.938 886 HB3 TYR 119 HB3 TYR 119 4.949 2.633 -6.541 887 HD1 TYR 119 HD1 TYR 119 8.004 0.518 -6.825 888 HD2 TYR 119 HD2 TYR 119 4.197 1.052 -4.998 889 HE1 TYR 119 HE1 TYR 119 8.483 -1.344 -5.291 890 HE2 TYR 119 HE2 TYR 119 4.666 -0.810 -3.462 891 HH TYR 119 HH TYR 119 6.592 -3.068 -3.839 892 H LYS 120 H LYS 120 5.331 -0.563 -9.520 893 HA LYS 120 HA LYS 120 2.490 -0.937 -8.862 894 HB2 LYS 120 HB2 LYS 120 4.250 -2.089 -11.010 895 HB3 LYS 120 HB3 LYS 120 2.668 -2.754 -10.636 896 HG2 LYS 120 HG2 LYS 120 1.579 -0.775 -11.321 897 HG3 LYS 120 HG3 LYS 120 3.101 0.110 -11.401 898 HD2 LYS 120 HD2 LYS 120 3.854 -1.382 -13.197 899 HD3 LYS 120 HD3 LYS 120 2.294 -2.204 -13.147 900 HE2 LYS 120 HE2 LYS 120 1.338 -0.641 -14.408 901 HE3 LYS 120 HE3 LYS 120 1.960 0.654 -13.382 902 HZ1 LYS 120 HZ1 LYS 120 3.065 -0.475 -15.837 903 HZ2 LYS 120 HZ2 LYS 120 4.177 0.019 -14.658 904 HZ3 LYS 120 HZ3 LYS 120 3.058 1.126 -15.294 905 H ARG 121 H ARG 121 1.887 -2.515 -7.525 906 HA ARG 121 HA ARG 121 3.786 -4.700 -7.019 907 HB2 ARG 121 HB2 ARG 121 3.290 -4.655 -4.633 908 HB3 ARG 121 HB3 ARG 121 3.951 -3.112 -5.150 909 HG2 ARG 121 HG2 ARG 121 1.770 -2.098 -5.085 910 HG3 ARG 121 HG3 ARG 121 1.026 -3.658 -4.721 911 HD2 ARG 121 HD2 ARG 121 2.880 -3.491 -2.746 912 HD3 ARG 121 HD3 ARG 121 2.465 -1.790 -2.964 913 HE ARG 121 HE ARG 121 0.249 -2.251 -2.304 914 HH11 ARG 121 HH11 ARG 121 2.359 -5.075 -2.160 915 HH12 ARG 121 HH12 ARG 121 1.200 -6.036 -1.176 916 HH21 ARG 121 HH21 ARG 121 -1.260 -3.439 -1.064 917 HH22 ARG 121 HH22 ARG 121 -0.813 -5.111 -0.528 918 H THR 122 H THR 122 2.918 -6.543 -7.488 919 HA THR 122 HA THR 122 -0.007 -6.804 -7.577 920 HB THR 122 HB THR 122 2.088 -8.612 -8.794 921 HG1 THR 122 HG1 THR 122 1.525 -6.202 -9.544 922 HG21 THR 122 HG21 THR 122 -0.909 -8.460 -8.979 923 HG22 THR 122 HG22 THR 122 0.110 -9.852 -8.605 924 HG23 THR 122 HG23 THR 122 0.059 -9.215 -10.247 925 H SER 123 H SER 123 -0.983 -7.932 -6.035 926 HA SER 123 HA SER 123 0.627 -9.918 -4.568 927 HB2 SER 123 HB2 SER 123 -1.636 -8.269 -3.419 928 HB3 SER 123 HB3 SER 123 -0.526 -9.321 -2.538 929 HG SER 123 HG SER 123 0.570 -7.260 -4.062 930 H LYS 124 H LYS 124 -0.271 -11.903 -4.284 931 HA LYS 124 HA LYS 124 -2.606 -12.513 -5.869 932 HB2 LYS 124 HB2 LYS 124 -2.159 -14.868 -5.189 933 HB3 LYS 124 HB3 LYS 124 -0.782 -14.090 -5.956 934 HG2 LYS 124 HG2 LYS 124 0.268 -13.758 -3.801 935 HG3 LYS 124 HG3 LYS 124 -1.150 -14.440 -2.992 936 HD2 LYS 124 HD2 LYS 124 -0.679 -16.590 -3.697 937 HD3 LYS 124 HD3 LYS 124 0.272 -16.040 -5.078 938 HE2 LYS 124 HE2 LYS 124 1.140 -15.709 -2.213 939 HE3 LYS 124 HE3 LYS 124 1.594 -17.084 -3.217 940 HZ1 LYS 124 HZ1 LYS 124 2.497 -15.375 -4.833 941 HZ2 LYS 124 HZ2 LYS 124 3.355 -15.570 -3.383 942 HZ3 LYS 124 HZ3 LYS 124 2.336 -14.240 -3.580 943 H LYS 125 H LYS 125 -4.431 -13.722 -5.019 944 HA LYS 125 HA LYS 125 -5.237 -12.661 -2.415 945 HB2 LYS 125 HB2 LYS 125 -6.618 -12.395 -4.591 946 HB3 LYS 125 HB3 LYS 125 -7.060 -14.078 -4.345 947 HG2 LYS 125 HG2 LYS 125 -7.499 -11.924 -2.286 948 HG3 LYS 125 HG3 LYS 125 -8.713 -12.409 -3.469 949 HD2 LYS 125 HD2 LYS 125 -8.176 -14.808 -2.523 950 HD3 LYS 125 HD3 LYS 125 -7.641 -13.883 -1.122 951 HE2 LYS 125 HE2 LYS 125 -9.875 -14.402 -0.690 952 HE3 LYS 125 HE3 LYS 125 -9.901 -12.722 -1.233 953 HZ1 LYS 125 HZ1 LYS 125 -10.382 -13.702 -3.514 954 HZ2 LYS 125 HZ2 LYS 125 -11.633 -13.755 -2.375 955 HZ3 LYS 125 HZ3 LYS 125 -10.730 -15.144 -2.707 956 H ILE 126 H ILE 126 -5.375 -13.873 -0.695 957 HA ILE 126 HA ILE 126 -5.935 -16.726 -0.927 958 HB ILE 126 HB ILE 126 -3.943 -16.223 1.155 959 HG12 ILE 126 HG12 ILE 126 -2.099 -16.438 -0.788 960 HG13 ILE 126 HG13 ILE 126 -3.287 -15.472 -1.654 961 HG21 ILE 126 HG21 ILE 126 -2.976 -18.289 0.260 962 HG22 ILE 126 HG22 ILE 126 -4.100 -18.214 -1.096 963 HG23 ILE 126 HG23 ILE 126 -4.710 -18.433 0.545 964 HD11 ILE 126 HD11 ILE 126 -1.572 -14.109 -0.567 965 HD12 ILE 126 HD12 ILE 126 -2.072 -14.753 0.996 966 HD13 ILE 126 HD13 ILE 126 -3.187 -13.765 0.054 967 H ALA 127 H ALA 127 -6.397 -17.654 1.295 968 HA ALA 127 HA ALA 127 -7.361 -15.632 3.173 969 HB1 ALA 127 HB1 ALA 127 -9.050 -17.870 2.053 970 HB2 ALA 127 HB2 ALA 127 -9.310 -16.137 1.842 971 HB3 ALA 127 HB3 ALA 127 -9.499 -16.872 3.435 972 H11 CHO 200 H11 CHO 200 6.636 -0.024 -1.427 973 H12 CHO 200 H12 CHO 200 7.158 -1.157 -0.147 974 H21 CHO 200 H21 CHO 200 5.279 -0.456 1.267 975 H22 CHO 200 H22 CHO 200 4.692 -1.033 -0.319 976 H3 CHO 200 H3 CHO 200 4.482 1.289 -1.105 977 HO3 CHO 200 HO3 CHO 200 2.726 1.870 0.270 978 H41 CHO 200 H41 CHO 200 5.362 2.007 1.732 979 H42 CHO 200 H42 CHO 200 4.840 3.158 0.476 980 H5 CHO 200 H5 CHO 200 6.715 2.430 -0.968 981 H61 CHO 200 H61 CHO 200 6.981 4.327 0.631 982 H62 CHO 200 H62 CHO 200 8.514 3.470 0.343 983 H7 CHO 200 H7 CHO 200 8.233 3.902 2.736 984 HO7 CHO 200 HO7 CHO 200 5.961 2.147 2.783 985 H8 CHO 200 H8 CHO 200 9.353 1.841 2.107 986 H9 CHO 200 H9 CHO 200 6.580 0.582 2.233 987 H111 CHO 200 H111 CHO 200 9.265 -0.696 1.629 988 H112 CHO 200 H112 CHO 200 7.659 -1.497 1.643 989 H121 CHO 200 H121 CHO 200 8.952 -1.922 3.732 990 H122 CHO 200 H122 CHO 200 7.423 -1.069 4.033 991 H14 CHO 200 H14 CHO 200 7.368 1.479 4.316 992 H151 CHO 200 H151 CHO 200 8.736 3.353 5.034 993 H152 CHO 200 H152 CHO 200 10.187 2.732 4.331 994 H161 CHO 200 H161 CHO 200 8.855 1.985 6.916 995 H162 CHO 200 H162 CHO 200 10.529 1.725 6.476 996 H17 CHO 200 H17 CHO 200 8.195 -0.151 6.142 997 H181 CHO 200 H181 CHO 200 10.887 1.333 3.630 998 H182 CHO 200 H182 CHO 200 10.645 -0.155 2.682 999 H183 CHO 200 H183 CHO 200 11.294 -0.249 4.337 1000 H191 CHO 200 H191 CHO 200 9.145 2.027 -0.458 1001 H192 CHO 200 H192 CHO 200 8.870 0.459 -1.255 1002 H193 CHO 200 H193 CHO 200 9.588 0.517 0.373 1003 H20 CHO 200 H20 CHO 200 11.148 -0.578 6.069 1004 H211 CHO 200 H211 CHO 200 9.694 -2.873 6.859 1005 H212 CHO 200 H212 CHO 200 10.670 -2.639 5.389 1006 H213 CHO 200 H213 CHO 200 8.930 -2.267 5.371 1007 H221 CHO 200 H221 CHO 200 9.039 -0.902 8.249 1008 H222 CHO 200 H222 CHO 200 10.338 0.337 8.196 1009 H231 CHO 200 H231 CHO 200 12.035 -1.458 8.280 1010 H232 CHO 200 H232 CHO 200 10.731 -2.668 8.401 1011 HN CHO 200 HN CHO 200 11.813 -3.268 10.473 1012 H261 CHO 200 H261 CHO 200 11.582 -3.393 12.737 1013 H262 CHO 200 H262 CHO 200 10.519 -1.966 12.703 1014 H11 CHO 201 H11 CHO 201 -6.282 4.172 0.667 1015 H12 CHO 201 H12 CHO 201 -4.903 4.989 -0.120 1016 H21 CHO 201 H21 CHO 201 -3.912 2.812 -0.684 1017 H22 CHO 201 H22 CHO 201 -5.572 2.934 -1.332 1018 H3 CHO 201 H3 CHO 201 -6.429 1.631 0.577 1019 HO3 CHO 201 HO3 CHO 201 -4.099 0.359 -0.592 1020 H41 CHO 201 H41 CHO 201 -3.492 1.446 1.393 1021 H42 CHO 201 H42 CHO 201 -4.853 0.613 2.184 1022 H5 CHO 201 H5 CHO 201 -5.880 2.801 2.716 1023 H61 CHO 201 H61 CHO 201 -4.303 1.707 4.310 1024 H62 CHO 201 H62 CHO 201 -4.293 3.484 4.445 1025 H7 CHO 201 H7 CHO 201 -2.005 2.658 4.478 1026 HO7 CHO 201 HO7 CHO 201 -1.188 1.468 2.643 1027 H8 CHO 201 H8 CHO 201 -2.379 4.773 3.353 1028 H9 CHO 201 H9 CHO 201 -2.694 3.071 0.835 1029 H111 CHO 201 H111 CHO 201 -2.819 6.086 1.111 1030 H112 CHO 201 H112 CHO 201 -2.998 5.102 -0.385 1031 H121 CHO 201 H121 CHO 201 -0.741 6.151 -0.181 1032 H122 CHO 201 H122 CHO 201 -0.679 4.384 -0.246 1033 H14 CHO 201 H14 CHO 201 -0.501 2.972 1.879 1034 H151 CHO 201 H151 CHO 201 0.304 3.113 4.214 1035 H152 CHO 201 H152 CHO 201 -0.015 4.788 4.357 1036 H161 CHO 201 H161 CHO 201 2.064 3.354 2.607 1037 H162 CHO 201 H162 CHO 201 2.316 4.808 3.544 1038 H17 CHO 201 H17 CHO 201 1.586 4.664 0.756 1039 H181 CHO 201 H181 CHO 201 -0.759 7.307 1.975 1040 H182 CHO 201 H182 CHO 201 -0.074 6.517 3.416 1041 H183 CHO 201 H183 CHO 201 -1.764 6.210 2.951 1042 H191 CHO 201 H191 CHO 201 -4.596 6.144 2.009 1043 H192 CHO 201 H192 CHO 201 -3.986 5.267 3.433 1044 H193 CHO 201 H193 CHO 201 -5.711 5.178 3.004 1045 H20 CHO 201 H20 CHO 201 1.511 7.021 2.609 1046 H211 CHO 201 H211 CHO 201 1.162 6.687 -0.324 1047 H212 CHO 201 H212 CHO 201 2.229 8.011 0.204 1048 H213 CHO 201 H213 CHO 201 0.544 7.944 0.774 1049 H221 CHO 201 H221 CHO 201 3.734 5.908 0.859 1050 H222 CHO 201 H222 CHO 201 3.657 5.843 2.647 1051 H231 CHO 201 H231 CHO 201 3.618 8.324 2.708 1052 H232 CHO 201 H232 CHO 201 3.802 8.336 0.925 1053 HN CHO 201 HN CHO 201 5.375 5.786 2.730 1054 H261 CHO 201 H261 CHO 201 8.005 7.066 2.232 1055 H262 CHO 201 H262 CHO 201 7.676 5.317 2.238 Start of MODEL 17 1 H ALA 1 H ALA 1 -14.490 -6.562 -5.298 2 HA ALA 1 HA ALA 1 -14.360 -9.211 -3.991 3 HB1 ALA 1 HB1 ALA 1 -13.273 -8.410 -6.689 4 HB2 ALA 1 HB2 ALA 1 -14.725 -9.378 -6.433 5 HB3 ALA 1 HB3 ALA 1 -13.153 -9.995 -5.929 6 H PHE 2 H PHE 2 -13.519 -6.774 -2.809 7 HA PHE 2 HA PHE 2 -10.620 -6.736 -3.224 8 HB2 PHE 2 HB2 PHE 2 -12.594 -4.849 -2.011 9 HB3 PHE 2 HB3 PHE 2 -10.923 -4.783 -1.467 10 HD1 PHE 2 HD1 PHE 2 -13.188 -4.269 -4.302 11 HD2 PHE 2 HD2 PHE 2 -9.183 -3.969 -2.898 12 HE1 PHE 2 HE1 PHE 2 -12.620 -2.855 -6.234 13 HE2 PHE 2 HE2 PHE 2 -8.608 -2.548 -4.824 14 HZ PHE 2 HZ PHE 2 -10.330 -1.988 -6.495 15 H THR 3 H THR 3 -13.039 -7.800 -0.996 16 HA THR 3 HA THR 3 -11.515 -7.840 1.370 17 HB THR 3 HB THR 3 -13.563 -9.949 0.908 18 HG1 THR 3 HG1 THR 3 -15.220 -8.453 1.000 19 HG21 THR 3 HG21 THR 3 -13.158 -7.979 3.160 20 HG22 THR 3 HG22 THR 3 -12.381 -9.564 3.082 21 HG23 THR 3 HG23 THR 3 -14.140 -9.445 3.182 22 H GLY 4 H GLY 4 -10.159 -9.286 2.249 23 HA2 GLY 4 HA2 GLY 4 -9.730 -11.836 2.196 24 HA3 GLY 4 HA3 GLY 4 -9.322 -11.499 0.521 25 H LYS 5 H LYS 5 -7.458 -12.667 2.050 26 HA LYS 5 HA LYS 5 -5.651 -10.560 2.952 27 HB2 LYS 5 HB2 LYS 5 -4.644 -12.082 4.295 28 HB3 LYS 5 HB3 LYS 5 -6.125 -12.993 4.061 29 HG2 LYS 5 HG2 LYS 5 -5.013 -14.151 2.154 30 HG3 LYS 5 HG3 LYS 5 -3.513 -13.355 2.617 31 HD2 LYS 5 HD2 LYS 5 -5.040 -14.902 4.666 32 HD3 LYS 5 HD3 LYS 5 -4.052 -15.767 3.487 33 HE2 LYS 5 HE2 LYS 5 -2.582 -13.551 4.578 34 HE3 LYS 5 HE3 LYS 5 -3.220 -14.549 5.884 35 HZ1 LYS 5 HZ1 LYS 5 -2.276 -16.481 4.497 36 HZ2 LYS 5 HZ2 LYS 5 -1.210 -15.541 5.402 37 HZ3 LYS 5 HZ3 LYS 5 -1.333 -15.299 3.730 38 H TYR 6 H TYR 6 -3.703 -10.132 1.956 39 HA TYR 6 HA TYR 6 -3.255 -11.516 -0.609 40 HB2 TYR 6 HB2 TYR 6 -2.994 -8.550 -0.076 41 HB3 TYR 6 HB3 TYR 6 -2.518 -9.350 -1.566 42 HD1 TYR 6 HD1 TYR 6 -4.219 -10.245 -3.093 43 HD2 TYR 6 HD2 TYR 6 -5.298 -8.091 0.411 44 HE1 TYR 6 HE1 TYR 6 -6.493 -9.946 -3.983 45 HE2 TYR 6 HE2 TYR 6 -7.572 -7.784 -0.465 46 HH TYR 6 HH TYR 6 -8.911 -8.016 -2.245 47 H GLU 7 H GLU 7 -1.139 -11.914 -1.154 48 HA GLU 7 HA GLU 7 0.880 -10.986 0.759 49 HB2 GLU 7 HB2 GLU 7 0.345 -13.797 -0.141 50 HB3 GLU 7 HB3 GLU 7 1.969 -13.314 0.337 51 HG2 GLU 7 HG2 GLU 7 1.033 -12.531 2.503 52 HG3 GLU 7 HG3 GLU 7 -0.526 -13.191 2.017 53 H PHE 8 H PHE 8 2.929 -10.700 -0.022 54 HA PHE 8 HA PHE 8 3.283 -9.466 -2.409 55 HB2 PHE 8 HB2 PHE 8 4.884 -9.327 -0.605 56 HB3 PHE 8 HB3 PHE 8 5.308 -11.022 -0.803 57 HD1 PHE 8 HD1 PHE 8 4.924 -8.271 -3.287 58 HD2 PHE 8 HD2 PHE 8 7.495 -11.130 -1.472 59 HE1 PHE 8 HE1 PHE 8 6.717 -7.643 -4.839 60 HE2 PHE 8 HE2 PHE 8 9.300 -10.497 -3.021 61 HZ PHE 8 HZ PHE 8 8.909 -8.750 -4.711 62 H GLU 9 H GLU 9 2.990 -10.124 -4.400 63 HA GLU 9 HA GLU 9 3.755 -12.856 -5.155 64 HB2 GLU 9 HB2 GLU 9 1.439 -12.523 -5.555 65 HB3 GLU 9 HB3 GLU 9 1.728 -10.958 -6.309 66 HG2 GLU 9 HG2 GLU 9 1.338 -12.326 -8.107 67 HG3 GLU 9 HG3 GLU 9 3.092 -12.297 -8.033 68 H SER 10 H SER 10 3.629 -9.556 -6.502 69 HA SER 10 HA SER 10 6.272 -9.949 -7.662 70 HB2 SER 10 HB2 SER 10 3.852 -9.232 -9.336 71 HB3 SER 10 HB3 SER 10 5.519 -9.216 -9.904 72 HG SER 10 HG SER 10 5.016 -11.585 -8.762 73 H ASP 11 H ASP 11 7.076 -7.866 -8.673 74 HA ASP 11 HA ASP 11 5.837 -5.437 -7.697 75 HB2 ASP 11 HB2 ASP 11 7.106 -6.147 -5.753 76 HB3 ASP 11 HB3 ASP 11 8.542 -6.361 -6.729 77 H GLU 12 H GLU 12 6.859 -3.536 -8.559 78 HA GLU 12 HA GLU 12 8.857 -3.870 -10.630 79 HB2 GLU 12 HB2 GLU 12 6.929 -4.414 -11.927 80 HB3 GLU 12 HB3 GLU 12 6.021 -3.092 -11.229 81 HG2 GLU 12 HG2 GLU 12 7.403 -1.477 -12.380 82 HG3 GLU 12 HG3 GLU 12 8.401 -2.773 -13.031 83 H ASN 13 H ASN 13 10.020 -2.098 -10.936 84 HA ASN 13 HA ASN 13 10.901 -0.025 -10.703 85 HB2 ASN 13 HB2 ASN 13 8.172 0.391 -11.306 86 HB3 ASN 13 HB3 ASN 13 8.589 1.545 -10.044 87 HD21 ASN 13 HD21 ASN 13 8.480 3.310 -11.368 88 HD22 ASN 13 HD22 ASN 13 9.631 3.626 -12.620 89 H TYR 14 H TYR 14 10.755 -1.687 -8.391 90 HA TYR 14 HA TYR 14 9.895 -0.309 -6.108 91 HB2 TYR 14 HB2 TYR 14 10.451 -2.738 -6.167 92 HB3 TYR 14 HB3 TYR 14 12.156 -2.307 -6.256 93 HD1 TYR 14 HD1 TYR 14 13.239 -1.157 -4.335 94 HD2 TYR 14 HD2 TYR 14 9.277 -2.692 -4.081 95 HE1 TYR 14 HE1 TYR 14 13.339 -0.992 -1.889 96 HE2 TYR 14 HE2 TYR 14 9.376 -2.533 -1.624 97 HH TYR 14 HH TYR 14 11.029 -2.419 0.154 98 H ASP 15 H ASP 15 13.285 -0.724 -7.197 99 HA ASP 15 HA ASP 15 14.382 1.039 -5.337 100 HB2 ASP 15 HB2 ASP 15 15.428 0.275 -8.040 101 HB3 ASP 15 HB3 ASP 15 16.353 1.138 -6.829 102 H ASP 16 H ASP 16 13.160 1.651 -8.576 103 HA ASP 16 HA ASP 16 14.079 4.295 -8.852 104 HB2 ASP 16 HB2 ASP 16 11.860 2.696 -10.054 105 HB3 ASP 16 HB3 ASP 16 11.849 4.441 -10.293 106 H PHE 17 H PHE 17 11.221 2.917 -7.380 107 HA PHE 17 HA PHE 17 9.876 5.342 -6.807 108 HB2 PHE 17 HB2 PHE 17 8.779 3.132 -6.899 109 HB3 PHE 17 HB3 PHE 17 9.667 2.646 -5.459 110 HD1 PHE 17 HD1 PHE 17 7.455 5.449 -6.568 111 HD2 PHE 17 HD2 PHE 17 8.548 2.726 -3.480 112 HE1 PHE 17 HE1 PHE 17 5.644 6.328 -5.157 113 HE2 PHE 17 HE2 PHE 17 6.739 3.602 -2.066 114 HZ PHE 17 HZ PHE 17 5.283 5.399 -2.906 115 H VAL 18 H VAL 18 11.727 3.120 -4.714 116 HA VAL 18 HA VAL 18 11.588 4.711 -2.407 117 HB VAL 18 HB VAL 18 13.479 3.380 -1.547 118 HG11 VAL 18 HG11 VAL 18 12.294 1.249 -1.549 119 HG12 VAL 18 HG12 VAL 18 11.310 1.793 -2.905 120 HG13 VAL 18 HG13 VAL 18 11.180 2.598 -1.343 121 HG21 VAL 18 HG21 VAL 18 13.534 2.428 -4.378 122 HG22 VAL 18 HG22 VAL 18 14.091 1.388 -3.066 123 HG23 VAL 18 HG23 VAL 18 14.873 2.943 -3.354 124 H LYS 19 H LYS 19 13.935 4.715 -5.061 125 HA LYS 19 HA LYS 19 15.757 6.478 -3.747 126 HB2 LYS 19 HB2 LYS 19 15.370 5.597 -6.594 127 HB3 LYS 19 HB3 LYS 19 16.477 6.915 -6.222 128 HG2 LYS 19 HG2 LYS 19 16.641 4.181 -4.979 129 HG3 LYS 19 HG3 LYS 19 17.551 4.686 -6.404 130 HD2 LYS 19 HD2 LYS 19 18.928 6.062 -5.207 131 HD3 LYS 19 HD3 LYS 19 17.705 6.406 -3.985 132 HE2 LYS 19 HE2 LYS 19 17.999 4.178 -3.050 133 HE3 LYS 19 HE3 LYS 19 19.207 3.805 -4.280 134 HZ1 LYS 19 HZ1 LYS 19 20.318 4.410 -2.275 135 HZ2 LYS 19 HZ2 LYS 19 19.417 5.832 -2.122 136 HZ3 LYS 19 HZ3 LYS 19 20.538 5.671 -3.379 137 H LYS 20 H LYS 20 12.816 6.967 -5.536 138 HA LYS 20 HA LYS 20 13.308 9.765 -6.034 139 HB2 LYS 20 HB2 LYS 20 11.915 8.390 -7.558 140 HB3 LYS 20 HB3 LYS 20 10.732 8.207 -6.274 141 HG2 LYS 20 HG2 LYS 20 9.982 9.904 -7.795 142 HG3 LYS 20 HG3 LYS 20 10.412 10.658 -6.257 143 HD2 LYS 20 HD2 LYS 20 11.272 12.025 -8.033 144 HD3 LYS 20 HD3 LYS 20 12.635 11.236 -7.238 145 HE2 LYS 20 HE2 LYS 20 12.603 9.508 -9.017 146 HE3 LYS 20 HE3 LYS 20 11.338 10.420 -9.834 147 HZ1 LYS 20 HZ1 LYS 20 14.142 11.246 -9.347 148 HZ2 LYS 20 HZ2 LYS 20 12.950 12.325 -9.865 149 HZ3 LYS 20 HZ3 LYS 20 13.378 11.010 -10.837 150 H ILE 21 H ILE 21 11.279 7.865 -3.836 151 HA ILE 21 HA ILE 21 10.070 10.143 -2.633 152 HB ILE 21 HB ILE 21 9.258 8.572 -0.915 153 HG12 ILE 21 HG12 ILE 21 10.606 6.377 -2.479 154 HG13 ILE 21 HG13 ILE 21 11.381 7.112 -1.079 155 HG21 ILE 21 HG21 ILE 21 7.985 8.879 -2.944 156 HG22 ILE 21 HG22 ILE 21 7.919 7.178 -2.475 157 HG23 ILE 21 HG23 ILE 21 8.981 7.693 -3.792 158 HD11 ILE 21 HD11 ILE 21 8.739 5.672 -1.103 159 HD12 ILE 21 HD12 ILE 21 9.475 6.441 0.302 160 HD13 ILE 21 HD13 ILE 21 10.265 5.063 -0.464 161 H GLY 22 H GLY 22 13.110 8.693 -2.261 162 HA2 GLY 22 HA2 GLY 22 14.893 9.531 -1.034 163 HA3 GLY 22 HA3 GLY 22 13.779 10.581 -0.175 164 H LEU 23 H LEU 23 13.554 7.085 -0.544 165 HA LEU 23 HA LEU 23 13.257 6.753 2.293 166 HB2 LEU 23 HB2 LEU 23 12.130 5.406 0.419 167 HB3 LEU 23 HB3 LEU 23 13.661 4.565 0.260 168 HG LEU 23 HG LEU 23 13.455 3.899 2.676 169 HD11 LEU 23 HD11 LEU 23 11.381 4.109 3.797 170 HD12 LEU 23 HD12 LEU 23 10.599 4.779 2.370 171 HD13 LEU 23 HD13 LEU 23 11.818 5.718 3.228 172 HD21 LEU 23 HD21 LEU 23 12.947 2.249 1.079 173 HD22 LEU 23 HD22 LEU 23 11.433 3.028 0.633 174 HD23 LEU 23 HD23 LEU 23 11.591 2.242 2.203 175 HA PRO 24 HA PRO 24 17.599 6.200 3.138 176 HB2 PRO 24 HB2 PRO 24 17.331 4.985 5.583 177 HB3 PRO 24 HB3 PRO 24 17.147 6.732 5.334 178 HG2 PRO 24 HG2 PRO 24 15.052 4.640 5.597 179 HG3 PRO 24 HG3 PRO 24 15.099 6.282 6.263 180 HD2 PRO 24 HD2 PRO 24 13.652 5.640 4.077 181 HD3 PRO 24 HD3 PRO 24 14.389 7.242 4.299 182 H ALA 25 H ALA 25 19.102 4.587 2.954 183 HA ALA 25 HA ALA 25 18.469 2.214 1.669 184 HB1 ALA 25 HB1 ALA 25 20.928 2.660 3.348 185 HB2 ALA 25 HB2 ALA 25 20.706 3.325 1.731 186 HB3 ALA 25 HB3 ALA 25 20.751 1.578 1.968 187 H ASP 26 H ASP 26 18.886 2.869 5.082 188 HA ASP 26 HA ASP 26 18.995 0.268 6.064 189 HB2 ASP 26 HB2 ASP 26 17.962 2.826 7.285 190 HB3 ASP 26 HB3 ASP 26 18.021 1.312 8.181 191 H LYS 27 H LYS 27 16.219 2.247 5.173 192 HA LYS 27 HA LYS 27 14.381 0.241 6.207 193 HB2 LYS 27 HB2 LYS 27 13.839 2.841 4.773 194 HB3 LYS 27 HB3 LYS 27 12.610 1.789 5.459 195 HG2 LYS 27 HG2 LYS 27 14.779 3.167 7.027 196 HG3 LYS 27 HG3 LYS 27 13.113 3.722 6.883 197 HD2 LYS 27 HD2 LYS 27 12.347 1.623 7.918 198 HD3 LYS 27 HD3 LYS 27 14.030 1.125 8.106 199 HE2 LYS 27 HE2 LYS 27 14.423 3.174 9.460 200 HE3 LYS 27 HE3 LYS 27 12.697 3.515 9.367 201 HZ1 LYS 27 HZ1 LYS 27 13.164 2.431 11.421 202 HZ2 LYS 27 HZ2 LYS 27 13.986 1.172 10.653 203 HZ3 LYS 27 HZ3 LYS 27 12.315 1.336 10.451 204 H ILE 28 H ILE 28 15.621 1.444 3.163 205 HA ILE 28 HA ILE 28 13.817 0.299 1.391 206 HB ILE 28 HB ILE 28 16.779 0.818 1.115 207 HG12 ILE 28 HG12 ILE 28 14.384 2.179 -0.126 208 HG13 ILE 28 HG13 ILE 28 15.255 2.770 1.283 209 HG21 ILE 28 HG21 ILE 28 16.032 -1.076 -0.340 210 HG22 ILE 28 HG22 ILE 28 16.673 0.318 -1.208 211 HG23 ILE 28 HG23 ILE 28 14.935 0.049 -1.133 212 HD11 ILE 28 HD11 ILE 28 17.244 3.078 -0.063 213 HD12 ILE 28 HD12 ILE 28 15.877 3.934 -0.776 214 HD13 ILE 28 HD13 ILE 28 16.419 2.406 -1.469 215 H GLU 29 H GLU 29 16.926 -1.079 2.507 216 HA GLU 29 HA GLU 29 16.513 -3.598 1.287 217 HB2 GLU 29 HB2 GLU 29 18.293 -2.993 3.644 218 HB3 GLU 29 HB3 GLU 29 18.449 -4.338 2.522 219 HG2 GLU 29 HG2 GLU 29 18.777 -1.432 1.825 220 HG3 GLU 29 HG3 GLU 29 20.085 -2.577 2.103 221 H MET 30 H MET 30 15.693 -2.285 4.386 222 HA MET 30 HA MET 30 15.104 -4.684 5.738 223 HB2 MET 30 HB2 MET 30 15.422 -2.336 6.706 224 HB3 MET 30 HB3 MET 30 13.767 -2.023 6.207 225 HG2 MET 30 HG2 MET 30 13.887 -2.612 8.552 226 HG3 MET 30 HG3 MET 30 12.973 -3.811 7.637 227 HE1 MET 30 HE1 MET 30 13.575 -6.134 7.240 228 HE2 MET 30 HE2 MET 30 13.115 -6.017 8.939 229 HE3 MET 30 HE3 MET 30 14.494 -7.010 8.465 230 H GLY 31 H GLY 31 13.217 -2.526 3.678 231 HA2 GLY 31 HA2 GLY 31 10.938 -4.374 3.935 232 HA3 GLY 31 HA3 GLY 31 10.810 -2.682 3.493 233 H ARG 32 H ARG 32 13.063 -5.083 2.123 234 HA ARG 32 HA ARG 32 11.607 -4.718 -0.410 235 HB2 ARG 32 HB2 ARG 32 13.612 -4.680 -1.672 236 HB3 ARG 32 HB3 ARG 32 13.848 -3.553 -0.347 237 HG2 ARG 32 HG2 ARG 32 15.399 -4.896 0.693 238 HG3 ARG 32 HG3 ARG 32 14.789 -6.364 -0.061 239 HD2 ARG 32 HD2 ARG 32 16.975 -5.728 -0.952 240 HD3 ARG 32 HD3 ARG 32 15.728 -5.693 -2.196 241 HE ARG 32 HE ARG 32 16.897 -3.309 -0.899 242 HH11 ARG 32 HH11 ARG 32 15.349 -4.870 -3.673 243 HH12 ARG 32 HH12 ARG 32 15.650 -3.463 -4.762 244 HH21 ARG 32 HH21 ARG 32 17.319 -1.554 -2.254 245 HH22 ARG 32 HH22 ARG 32 16.766 -1.610 -3.984 246 H ASN 33 H ASN 33 11.085 -6.447 -1.554 247 HA ASN 33 HA ASN 33 10.683 -8.601 -2.121 248 HB2 ASN 33 HB2 ASN 33 13.511 -8.911 -1.116 249 HB3 ASN 33 HB3 ASN 33 12.607 -10.234 -1.843 250 HD21 ASN 33 HD21 ASN 33 15.038 -8.903 -2.712 251 HD22 ASN 33 HD22 ASN 33 14.717 -8.322 -4.312 252 H CYS 34 H CYS 34 10.133 -7.631 0.675 253 HA CYS 34 HA CYS 34 10.258 -10.143 2.163 254 HB2 CYS 34 HB2 CYS 34 9.124 -8.554 3.927 255 HB3 CYS 34 HB3 CYS 34 10.846 -8.434 3.608 256 HG CYS 34 HG CYS 34 10.309 -5.858 3.695 257 H LYS 35 H LYS 35 8.349 -11.123 3.047 258 HA LYS 35 HA LYS 35 6.129 -10.926 1.227 259 HB2 LYS 35 HB2 LYS 35 5.185 -12.840 2.442 260 HB3 LYS 35 HB3 LYS 35 6.838 -13.130 1.927 261 HG2 LYS 35 HG2 LYS 35 7.499 -13.523 4.013 262 HG3 LYS 35 HG3 LYS 35 6.753 -12.036 4.603 263 HD2 LYS 35 HD2 LYS 35 5.743 -13.902 5.730 264 HD3 LYS 35 HD3 LYS 35 4.563 -13.213 4.614 265 HE2 LYS 35 HE2 LYS 35 5.415 -14.989 2.959 266 HE3 LYS 35 HE3 LYS 35 6.119 -15.762 4.381 267 HZ1 LYS 35 HZ1 LYS 35 3.274 -15.355 3.702 268 HZ2 LYS 35 HZ2 LYS 35 3.748 -15.522 5.327 269 HZ3 LYS 35 HZ3 LYS 35 4.071 -16.762 4.224 270 H ILE 36 H ILE 36 5.255 -8.915 1.600 271 HA ILE 36 HA ILE 36 4.224 -8.253 4.216 272 HB ILE 36 HB ILE 36 3.646 -6.787 1.647 273 HG12 ILE 36 HG12 ILE 36 6.073 -6.971 1.867 274 HG13 ILE 36 HG13 ILE 36 5.553 -5.325 2.203 275 HG21 ILE 36 HG21 ILE 36 3.714 -5.835 4.504 276 HG22 ILE 36 HG22 ILE 36 2.254 -6.254 3.613 277 HG23 ILE 36 HG23 ILE 36 3.246 -4.892 3.093 278 HD11 ILE 36 HD11 ILE 36 7.296 -6.102 3.733 279 HD12 ILE 36 HD12 ILE 36 6.216 -7.382 4.290 280 HD13 ILE 36 HD13 ILE 36 5.801 -5.690 4.571 281 H VAL 37 H VAL 37 2.288 -8.831 4.924 282 HA VAL 37 HA VAL 37 0.388 -9.966 3.001 283 HB VAL 37 HB VAL 37 0.069 -10.043 5.986 284 HG11 VAL 37 HG11 VAL 37 -1.228 -12.085 5.463 285 HG12 VAL 37 HG12 VAL 37 -0.998 -11.743 3.747 286 HG13 VAL 37 HG13 VAL 37 -1.901 -10.614 4.758 287 HG21 VAL 37 HG21 VAL 37 1.365 -11.938 6.218 288 HG22 VAL 37 HG22 VAL 37 2.309 -11.008 5.058 289 HG23 VAL 37 HG23 VAL 37 1.288 -12.329 4.499 290 H THR 38 H THR 38 -1.321 -8.869 2.401 291 HA THR 38 HA THR 38 -2.109 -6.497 3.949 292 HB THR 38 HB THR 38 -2.797 -7.119 1.069 293 HG1 THR 38 HG1 THR 38 -0.961 -6.202 0.514 294 HG21 THR 38 HG21 THR 38 -3.471 -4.810 0.932 295 HG22 THR 38 HG22 THR 38 -2.938 -4.517 2.585 296 HG23 THR 38 HG23 THR 38 -4.319 -5.568 2.281 297 H GLU 39 H GLU 39 -3.706 -7.062 5.328 298 HA GLU 39 HA GLU 39 -5.749 -8.954 4.435 299 HB2 GLU 39 HB2 GLU 39 -5.305 -7.697 7.148 300 HB3 GLU 39 HB3 GLU 39 -6.565 -8.860 6.775 301 HG2 GLU 39 HG2 GLU 39 -4.809 -10.499 6.184 302 HG3 GLU 39 HG3 GLU 39 -3.597 -9.334 6.722 303 H VAL 40 H VAL 40 -7.512 -8.214 3.487 304 HA VAL 40 HA VAL 40 -8.395 -5.469 4.089 305 HB VAL 40 HB VAL 40 -8.991 -7.138 1.642 306 HG11 VAL 40 HG11 VAL 40 -9.556 -4.213 2.117 307 HG12 VAL 40 HG12 VAL 40 -10.748 -5.499 2.310 308 HG13 VAL 40 HG13 VAL 40 -10.034 -5.192 0.726 309 HG21 VAL 40 HG21 VAL 40 -7.162 -4.754 1.925 310 HG22 VAL 40 HG22 VAL 40 -7.489 -5.662 0.445 311 HG23 VAL 40 HG23 VAL 40 -6.633 -6.433 1.782 312 H VAL 41 H VAL 41 -10.205 -5.246 5.179 313 HA VAL 41 HA VAL 41 -12.208 -7.417 5.118 314 HB VAL 41 HB VAL 41 -11.778 -5.383 7.321 315 HG11 VAL 41 HG11 VAL 41 -13.694 -7.661 6.953 316 HG12 VAL 41 HG12 VAL 41 -14.024 -5.991 7.419 317 HG13 VAL 41 HG13 VAL 41 -13.250 -7.090 8.563 318 HG21 VAL 41 HG21 VAL 41 -11.183 -8.326 7.488 319 HG22 VAL 41 HG22 VAL 41 -10.728 -7.048 8.619 320 HG23 VAL 41 HG23 VAL 41 -9.958 -7.135 7.033 321 H GLN 42 H GLN 42 -14.145 -6.869 4.257 322 HA GLN 42 HA GLN 42 -14.521 -4.098 3.461 323 HB2 GLN 42 HB2 GLN 42 -14.851 -5.718 1.716 324 HB3 GLN 42 HB3 GLN 42 -16.004 -6.612 2.700 325 HG2 GLN 42 HG2 GLN 42 -17.562 -4.746 2.607 326 HG3 GLN 42 HG3 GLN 42 -16.400 -3.805 1.674 327 HE21 GLN 42 HE21 GLN 42 -17.888 -3.581 -0.014 328 HE22 GLN 42 HE22 GLN 42 -18.241 -4.887 -1.093 329 H ASN 43 H ASN 43 -15.678 -2.756 4.612 330 HA ASN 43 HA ASN 43 -17.994 -3.780 6.114 331 HB2 ASN 43 HB2 ASN 43 -16.121 -3.207 7.646 332 HB3 ASN 43 HB3 ASN 43 -16.112 -1.572 6.994 333 HD21 ASN 43 HD21 ASN 43 -16.585 -0.606 8.944 334 HD22 ASN 43 HD22 ASN 43 -18.134 -0.740 9.704 335 H GLY 44 H GLY 44 -19.071 -3.199 4.078 336 HA2 GLY 44 HA2 GLY 44 -20.578 -1.805 3.018 337 HA3 GLY 44 HA3 GLY 44 -20.237 -0.590 4.245 338 H ASN 45 H ASN 45 -18.756 0.981 3.863 339 HA ASN 45 HA ASN 45 -17.456 0.926 1.223 340 HB2 ASN 45 HB2 ASN 45 -19.202 2.950 2.385 341 HB3 ASN 45 HB3 ASN 45 -17.645 3.617 1.907 342 HD21 ASN 45 HD21 ASN 45 -19.171 0.879 0.370 343 HD22 ASN 45 HD22 ASN 45 -19.499 1.663 -1.137 344 H ASP 46 H ASP 46 -16.859 0.408 4.238 345 HA ASP 46 HA ASP 46 -14.385 1.988 4.406 346 HB2 ASP 46 HB2 ASP 46 -15.925 2.235 6.312 347 HB3 ASP 46 HB3 ASP 46 -15.921 0.493 6.553 348 H PHE 47 H PHE 47 -12.769 0.871 3.497 349 HA PHE 47 HA PHE 47 -12.636 -2.030 3.941 350 HB2 PHE 47 HB2 PHE 47 -11.240 -0.262 1.913 351 HB3 PHE 47 HB3 PHE 47 -10.943 -1.989 2.096 352 HD1 PHE 47 HD1 PHE 47 -13.401 0.543 1.068 353 HD2 PHE 47 HD2 PHE 47 -12.477 -3.603 1.247 354 HE1 PHE 47 HE1 PHE 47 -15.257 0.067 -0.470 355 HE2 PHE 47 HE2 PHE 47 -14.330 -4.086 -0.293 356 HZ PHE 47 HZ PHE 47 -15.725 -2.252 -1.156 357 H THR 48 H THR 48 -10.944 -2.917 5.030 358 HA THR 48 HA THR 48 -9.169 -1.013 6.352 359 HB THR 48 HB THR 48 -8.645 -2.876 7.899 360 HG1 THR 48 HG1 THR 48 -9.686 -4.821 7.673 361 HG21 THR 48 HG21 THR 48 -10.979 -3.087 8.872 362 HG22 THR 48 HG22 THR 48 -11.540 -2.151 7.485 363 HG23 THR 48 HG23 THR 48 -10.393 -1.443 8.621 364 H TRP 49 H TRP 49 -6.986 -1.077 6.151 365 HA TRP 49 HA TRP 49 -5.889 -3.075 4.289 366 HB2 TRP 49 HB2 TRP 49 -5.936 -0.313 3.968 367 HB3 TRP 49 HB3 TRP 49 -4.312 -0.637 4.565 368 HD1 TRP 49 HD1 TRP 49 -2.600 -1.309 2.800 369 HE1 TRP 49 HE1 TRP 49 -2.691 -2.116 0.354 370 HE3 TRP 49 HE3 TRP 49 -7.665 -1.819 2.299 371 HZ2 TRP 49 HZ2 TRP 49 -4.648 -2.868 -1.529 372 HZ3 TRP 49 HZ3 TRP 49 -8.563 -2.579 0.141 373 HH2 TRP 49 HH2 TRP 49 -7.086 -3.093 -1.732 374 H THR 50 H THR 50 -4.985 -4.525 5.617 375 HA THR 50 HA THR 50 -3.366 -3.564 7.871 376 HB THR 50 HB THR 50 -3.905 -6.460 7.346 377 HG1 THR 50 HG1 THR 50 -5.957 -5.371 7.205 378 HG21 THR 50 HG21 THR 50 -3.688 -4.826 9.867 379 HG22 THR 50 HG22 THR 50 -2.399 -5.793 9.156 380 HG23 THR 50 HG23 THR 50 -3.849 -6.580 9.776 381 H GLN 51 H GLN 51 -1.221 -3.516 7.655 382 HA GLN 51 HA GLN 51 0.015 -5.183 5.550 383 HB2 GLN 51 HB2 GLN 51 1.055 -2.658 6.870 384 HB3 GLN 51 HB3 GLN 51 1.917 -3.597 5.661 385 HG2 GLN 51 HG2 GLN 51 -0.759 -2.335 5.167 386 HG3 GLN 51 HG3 GLN 51 0.772 -1.534 4.824 387 HE21 GLN 51 HE21 GLN 51 -1.295 -4.208 4.017 388 HE22 GLN 51 HE22 GLN 51 -0.608 -4.553 2.465 389 H HIS 52 H HIS 52 0.987 -6.932 6.310 390 HA HIS 52 HA HIS 52 2.010 -6.878 9.060 391 HB2 HIS 52 HB2 HIS 52 1.193 -9.167 7.276 392 HB3 HIS 52 HB3 HIS 52 2.017 -9.397 8.813 393 HD2 HIS 52 HD2 HIS 52 -1.483 -8.667 7.399 394 HE1 HIS 52 HE1 HIS 52 -1.748 -8.763 11.618 395 HE2 HIS 52 HE2 HIS 52 -3.057 -8.894 9.453 396 H PHE 53 H PHE 53 4.049 -6.873 9.437 397 HA PHE 53 HA PHE 53 5.892 -7.434 7.229 398 HB2 PHE 53 HB2 PHE 53 5.875 -5.241 8.656 399 HB3 PHE 53 HB3 PHE 53 6.700 -6.228 9.857 400 HD1 PHE 53 HD1 PHE 53 7.012 -6.327 6.178 401 HD2 PHE 53 HD2 PHE 53 8.852 -5.360 9.878 402 HE1 PHE 53 HE1 PHE 53 9.147 -5.933 5.011 403 HE2 PHE 53 HE2 PHE 53 10.991 -4.968 8.728 404 HZ PHE 53 HZ PHE 53 11.138 -5.251 6.288 405 HA PRO 54 HA PRO 54 6.678 -11.325 9.296 406 HB2 PRO 54 HB2 PRO 54 8.803 -12.069 7.743 407 HB3 PRO 54 HB3 PRO 54 7.120 -12.211 7.196 408 HG2 PRO 54 HG2 PRO 54 9.126 -10.096 6.585 409 HG3 PRO 54 HG3 PRO 54 7.966 -10.896 5.507 410 HD2 PRO 54 HD2 PRO 54 7.520 -8.440 6.505 411 HD3 PRO 54 HD3 PRO 54 6.199 -9.593 6.219 412 H GLY 55 H GLY 55 7.568 -11.159 11.270 413 HA2 GLY 55 HA2 GLY 55 9.232 -11.052 12.864 414 HA3 GLY 55 HA3 GLY 55 10.401 -10.949 11.555 415 H GLY 56 H GLY 56 7.757 -8.678 11.753 416 HA2 GLY 56 HA2 GLY 56 9.475 -6.680 13.022 417 HA3 GLY 56 HA3 GLY 56 8.953 -6.365 11.379 418 H ARG 57 H ARG 57 8.073 -4.432 12.420 419 HA ARG 57 HA ARG 57 5.800 -4.710 14.158 420 HB2 ARG 57 HB2 ARG 57 5.656 -2.290 14.046 421 HB3 ARG 57 HB3 ARG 57 7.320 -2.781 14.307 422 HG2 ARG 57 HG2 ARG 57 7.769 -1.296 12.702 423 HG3 ARG 57 HG3 ARG 57 7.272 -2.587 11.606 424 HD2 ARG 57 HD2 ARG 57 6.163 -0.501 11.027 425 HD3 ARG 57 HD3 ARG 57 4.991 -1.693 11.595 426 HE ARG 57 HE ARG 57 5.842 -0.085 13.751 427 HH11 ARG 57 HH11 ARG 57 3.838 0.030 10.846 428 HH12 ARG 57 HH12 ARG 57 2.782 1.339 11.508 429 HH21 ARG 57 HH21 ARG 57 4.485 1.556 14.609 430 HH22 ARG 57 HH22 ARG 57 3.136 2.178 13.580 431 H THR 58 H THR 58 3.655 -4.278 13.691 432 HA THR 58 HA THR 58 2.967 -4.700 10.881 433 HB THR 58 HB THR 58 2.050 -6.249 12.633 434 HG1 THR 58 HG1 THR 58 0.292 -6.499 11.423 435 HG21 THR 58 HG21 THR 58 1.589 -4.680 14.418 436 HG22 THR 58 HG22 THR 58 0.091 -5.465 13.924 437 HG23 THR 58 HG23 THR 58 0.438 -3.818 13.402 438 H THR 59 H THR 59 1.196 -3.507 9.939 439 HA THR 59 HA THR 59 0.671 -0.888 11.175 440 HB THR 59 HB THR 59 1.202 -1.047 8.228 441 HG1 THR 59 HG1 THR 59 3.033 -1.966 9.362 442 HG21 THR 59 HG21 THR 59 2.104 1.287 8.777 443 HG22 THR 59 HG22 THR 59 1.323 1.082 10.345 444 HG23 THR 59 HG23 THR 59 0.358 1.050 8.869 445 H THR 60 H THR 60 -1.498 -0.774 11.376 446 HA THR 60 HA THR 60 -3.122 -1.883 9.188 447 HB THR 60 HB THR 60 -4.088 -1.698 12.028 448 HG1 THR 60 HG1 THR 60 -2.756 -3.285 12.464 449 HG21 THR 60 HG21 THR 60 -5.625 -3.479 11.235 450 HG22 THR 60 HG22 THR 60 -4.943 -3.301 9.619 451 HG23 THR 60 HG23 THR 60 -5.810 -1.958 10.361 452 H ASN 61 H ASN 61 -4.440 -0.482 8.184 453 HA ASN 61 HA ASN 61 -5.425 1.859 9.651 454 HB2 ASN 61 HB2 ASN 61 -4.200 2.022 6.885 455 HB3 ASN 61 HB3 ASN 61 -4.956 3.351 7.759 456 HD21 ASN 61 HD21 ASN 61 -3.935 4.105 9.678 457 HD22 ASN 61 HD22 ASN 61 -2.227 3.923 9.881 458 H SER 62 H SER 62 -7.486 2.221 9.351 459 HA SER 62 HA SER 62 -8.863 0.736 7.237 460 HB2 SER 62 HB2 SER 62 -10.870 1.094 8.673 461 HB3 SER 62 HB3 SER 62 -9.579 0.213 9.491 462 HG SER 62 HG SER 62 -10.132 2.990 9.754 463 H PHE 63 H PHE 63 -10.078 1.822 5.711 464 HA PHE 63 HA PHE 63 -10.318 4.721 6.059 465 HB2 PHE 63 HB2 PHE 63 -9.586 5.106 3.735 466 HB3 PHE 63 HB3 PHE 63 -8.311 4.396 4.718 467 HD1 PHE 63 HD1 PHE 63 -7.609 2.092 4.363 468 HD2 PHE 63 HD2 PHE 63 -10.581 3.906 1.913 469 HE1 PHE 63 HE1 PHE 63 -7.351 0.287 2.718 470 HE2 PHE 63 HE2 PHE 63 -10.328 2.096 0.268 471 HZ PHE 63 HZ PHE 63 -8.711 0.282 0.669 472 H THR 64 H THR 64 -12.135 5.602 5.303 473 HA THR 64 HA THR 64 -14.068 3.792 4.051 474 HB THR 64 HB THR 64 -14.482 6.343 5.612 475 HG1 THR 64 HG1 THR 64 -14.185 3.817 6.385 476 HG21 THR 64 HG21 THR 64 -16.436 4.561 4.184 477 HG22 THR 64 HG22 THR 64 -16.206 6.301 3.991 478 HG23 THR 64 HG23 THR 64 -16.913 5.665 5.477 479 H ILE 65 H ILE 65 -14.784 4.195 2.042 480 HA ILE 65 HA ILE 65 -13.502 6.007 0.351 481 HB ILE 65 HB ILE 65 -16.240 4.798 -0.031 482 HG12 ILE 65 HG12 ILE 65 -14.592 3.062 0.453 483 HG13 ILE 65 HG13 ILE 65 -15.058 2.994 -1.240 484 HG21 ILE 65 HG21 ILE 65 -14.265 5.711 -2.112 485 HG22 ILE 65 HG22 ILE 65 -15.635 6.672 -1.550 486 HG23 ILE 65 HG23 ILE 65 -15.917 5.135 -2.372 487 HD11 ILE 65 HD11 ILE 65 -12.542 4.256 -0.177 488 HD12 ILE 65 HD12 ILE 65 -13.004 4.106 -1.871 489 HD13 ILE 65 HD13 ILE 65 -12.664 2.662 -0.920 490 H ASP 66 H ASP 66 -13.703 8.096 0.038 491 HA ASP 66 HA ASP 66 -14.522 10.209 -0.118 492 HB2 ASP 66 HB2 ASP 66 -16.675 9.117 -0.917 493 HB3 ASP 66 HB3 ASP 66 -17.236 9.185 0.751 494 H LYS 67 H LYS 67 -13.492 8.820 2.231 495 HA LYS 67 HA LYS 67 -14.280 10.783 4.254 496 HB2 LYS 67 HB2 LYS 67 -15.513 8.859 4.902 497 HB3 LYS 67 HB3 LYS 67 -14.148 7.802 4.583 498 HG2 LYS 67 HG2 LYS 67 -14.250 7.932 6.894 499 HG3 LYS 67 HG3 LYS 67 -12.966 9.053 6.463 500 HD2 LYS 67 HD2 LYS 67 -14.484 9.966 8.181 501 HD3 LYS 67 HD3 LYS 67 -14.473 10.925 6.700 502 HE2 LYS 67 HE2 LYS 67 -16.580 10.222 6.067 503 HE3 LYS 67 HE3 LYS 67 -16.510 8.772 7.070 504 HZ1 LYS 67 HZ1 LYS 67 -16.685 10.193 9.033 505 HZ2 LYS 67 HZ2 LYS 67 -18.015 10.392 8.009 506 HZ3 LYS 67 HZ3 LYS 67 -16.797 11.561 8.047 507 H GLU 68 H GLU 68 -12.661 11.346 5.704 508 HA GLU 68 HA GLU 68 -9.949 10.885 4.815 509 HB2 GLU 68 HB2 GLU 68 -10.473 13.119 5.477 510 HB3 GLU 68 HB3 GLU 68 -11.196 12.577 6.986 511 HG2 GLU 68 HG2 GLU 68 -8.923 11.797 7.683 512 HG3 GLU 68 HG3 GLU 68 -8.283 12.595 6.245 513 H ALA 69 H ALA 69 -8.614 9.389 5.653 514 HA ALA 69 HA ALA 69 -9.410 8.113 8.191 515 HB1 ALA 69 HB1 ALA 69 -8.999 6.003 7.369 516 HB2 ALA 69 HB2 ALA 69 -7.959 6.594 6.074 517 HB3 ALA 69 HB3 ALA 69 -9.706 6.811 5.971 518 H ASP 70 H ASP 70 -7.856 7.641 9.667 519 HA ASP 70 HA ASP 70 -5.361 9.041 9.485 520 HB2 ASP 70 HB2 ASP 70 -6.626 7.224 11.531 521 HB3 ASP 70 HB3 ASP 70 -4.951 7.737 11.698 522 H MET 71 H MET 71 -3.683 8.292 8.392 523 HA MET 71 HA MET 71 -3.353 5.363 8.197 524 HB2 MET 71 HB2 MET 71 -2.416 7.466 6.263 525 HB3 MET 71 HB3 MET 71 -2.270 5.721 6.061 526 HG2 MET 71 HG2 MET 71 -4.446 5.464 5.517 527 HG3 MET 71 HG3 MET 71 -4.974 6.781 6.562 528 HE1 MET 71 HE1 MET 71 -6.313 7.715 3.075 529 HE2 MET 71 HE2 MET 71 -6.631 8.138 4.759 530 HE3 MET 71 HE3 MET 71 -6.447 6.445 4.296 531 H GLU 72 H GLU 72 -1.160 4.559 7.954 532 HA GLU 72 HA GLU 72 1.003 6.260 8.886 533 HB2 GLU 72 HB2 GLU 72 0.238 5.477 11.006 534 HB3 GLU 72 HB3 GLU 72 0.002 3.841 10.406 535 HG2 GLU 72 HG2 GLU 72 2.457 3.670 10.092 536 HG3 GLU 72 HG3 GLU 72 2.630 5.246 10.855 537 H THR 73 H THR 73 3.004 5.538 8.210 538 HA THR 73 HA THR 73 2.944 3.275 6.342 539 HB THR 73 HB THR 73 4.912 4.155 5.311 540 HG1 THR 73 HG1 THR 73 6.131 5.798 6.203 541 HG21 THR 73 HG21 THR 73 3.815 5.765 4.223 542 HG22 THR 73 HG22 THR 73 3.801 6.808 5.644 543 HG23 THR 73 HG23 THR 73 2.536 5.594 5.421 544 H MET 74 H MET 74 5.050 2.017 6.267 545 HA MET 74 HA MET 74 5.551 1.006 8.890 546 HB2 MET 74 HB2 MET 74 6.491 0.316 6.130 547 HB3 MET 74 HB3 MET 74 7.359 -0.332 7.514 548 HG2 MET 74 HG2 MET 74 5.329 -1.384 8.321 549 HG3 MET 74 HG3 MET 74 4.421 -0.691 6.977 550 HE1 MET 74 HE1 MET 74 4.629 -4.572 6.239 551 HE2 MET 74 HE2 MET 74 3.565 -3.225 6.638 552 HE3 MET 74 HE3 MET 74 4.666 -3.866 7.854 553 H GLY 75 H GLY 75 6.648 3.696 7.377 554 HA2 GLY 75 HA2 GLY 75 9.404 3.525 8.343 555 HA3 GLY 75 HA3 GLY 75 8.721 4.809 7.351 556 H GLY 76 H GLY 76 6.465 4.246 9.615 557 HA2 GLY 76 HA2 GLY 76 6.096 5.012 11.800 558 HA3 GLY 76 HA3 GLY 76 7.683 5.766 11.786 559 H ARG 77 H ARG 77 5.497 6.273 9.127 560 HA ARG 77 HA ARG 77 5.351 9.083 9.880 561 HB2 ARG 77 HB2 ARG 77 4.368 7.820 7.331 562 HB3 ARG 77 HB3 ARG 77 4.562 9.530 7.650 563 HG2 ARG 77 HG2 ARG 77 6.968 9.191 7.795 564 HG3 ARG 77 HG3 ARG 77 6.743 7.484 7.424 565 HD2 ARG 77 HD2 ARG 77 7.107 8.272 5.338 566 HD3 ARG 77 HD3 ARG 77 5.371 8.473 5.410 567 HE ARG 77 HE ARG 77 5.856 10.842 6.047 568 HH11 ARG 77 HH11 ARG 77 8.171 8.932 4.211 569 HH12 ARG 77 HH12 ARG 77 8.868 10.379 3.390 570 HH21 ARG 77 HH21 ARG 77 6.718 12.680 5.045 571 HH22 ARG 77 HH22 ARG 77 8.057 12.474 3.854 572 H LYS 78 H LYS 78 3.705 9.849 10.905 573 HA LYS 78 HA LYS 78 1.136 8.443 10.840 574 HB2 LYS 78 HB2 LYS 78 2.259 10.515 12.735 575 HB3 LYS 78 HB3 LYS 78 0.590 9.970 12.786 576 HG2 LYS 78 HG2 LYS 78 1.629 8.679 14.413 577 HG3 LYS 78 HG3 LYS 78 1.574 7.613 13.011 578 HD2 LYS 78 HD2 LYS 78 3.853 7.827 12.603 579 HD3 LYS 78 HD3 LYS 78 3.981 9.317 13.539 580 HE2 LYS 78 HE2 LYS 78 4.992 7.313 14.632 581 HE3 LYS 78 HE3 LYS 78 3.762 8.128 15.594 582 HZ1 LYS 78 HZ1 LYS 78 3.273 5.696 13.949 583 HZ2 LYS 78 HZ2 LYS 78 2.183 6.445 15.003 584 HZ3 LYS 78 HZ3 LYS 78 3.563 5.693 15.618 585 H PHE 79 H PHE 79 -0.453 9.230 9.663 586 HA PHE 79 HA PHE 79 -0.875 12.039 9.239 587 HB2 PHE 79 HB2 PHE 79 -0.576 11.996 6.791 588 HB3 PHE 79 HB3 PHE 79 0.944 11.634 7.613 589 HD1 PHE 79 HD1 PHE 79 1.769 9.300 7.694 590 HD2 PHE 79 HD2 PHE 79 -1.598 10.421 5.356 591 HE1 PHE 79 HE1 PHE 79 1.946 7.195 6.454 592 HE2 PHE 79 HE2 PHE 79 -1.436 8.317 4.103 593 HZ PHE 79 HZ PHE 79 0.335 6.690 4.653 594 H LYS 80 H LYS 80 -2.645 12.149 7.316 595 HA LYS 80 HA LYS 80 -4.271 9.784 7.174 596 HB2 LYS 80 HB2 LYS 80 -6.201 10.668 8.190 597 HB3 LYS 80 HB3 LYS 80 -4.878 11.036 9.288 598 HG2 LYS 80 HG2 LYS 80 -5.722 13.032 7.272 599 HG3 LYS 80 HG3 LYS 80 -6.635 12.829 8.768 600 HD2 LYS 80 HD2 LYS 80 -4.758 13.368 10.092 601 HD3 LYS 80 HD3 LYS 80 -3.664 13.226 8.721 602 HE2 LYS 80 HE2 LYS 80 -4.052 15.560 9.305 603 HE3 LYS 80 HE3 LYS 80 -4.658 15.194 7.693 604 HZ1 LYS 80 HZ1 LYS 80 -6.886 15.133 8.520 605 HZ2 LYS 80 HZ2 LYS 80 -6.170 16.570 9.059 606 HZ3 LYS 80 HZ3 LYS 80 -6.356 15.276 10.127 607 H ALA 81 H ALA 81 -5.864 9.951 5.490 608 HA ALA 81 HA ALA 81 -5.794 12.324 3.809 609 HB1 ALA 81 HB1 ALA 81 -4.973 9.690 2.613 610 HB2 ALA 81 HB2 ALA 81 -3.811 10.877 3.198 611 HB3 ALA 81 HB3 ALA 81 -4.902 11.295 1.877 612 H THR 82 H THR 82 -7.244 12.098 1.915 613 HA THR 82 HA THR 82 -9.649 10.618 2.673 614 HB THR 82 HB THR 82 -9.665 12.435 0.320 615 HG1 THR 82 HG1 THR 82 -10.033 13.861 2.602 616 HG21 THR 82 HG21 THR 82 -11.500 12.130 2.700 617 HG22 THR 82 HG22 THR 82 -11.678 11.257 1.174 618 HG23 THR 82 HG23 THR 82 -11.843 13.015 1.209 619 H VAL 83 H VAL 83 -10.415 8.953 1.519 620 HA VAL 83 HA VAL 83 -9.000 8.242 -0.966 621 HB VAL 83 HB VAL 83 -10.235 6.351 1.043 622 HG11 VAL 83 HG11 VAL 83 -10.307 5.390 -1.117 623 HG12 VAL 83 HG12 VAL 83 -8.950 4.649 -0.266 624 HG13 VAL 83 HG13 VAL 83 -8.658 5.904 -1.473 625 HG21 VAL 83 HG21 VAL 83 -7.801 5.689 1.406 626 HG22 VAL 83 HG22 VAL 83 -8.335 7.207 2.124 627 HG23 VAL 83 HG23 VAL 83 -7.389 7.222 0.637 628 H LYS 84 H LYS 84 -10.238 7.719 -2.728 629 HA LYS 84 HA LYS 84 -13.144 7.527 -2.316 630 HB2 LYS 84 HB2 LYS 84 -13.524 8.860 -4.342 631 HB3 LYS 84 HB3 LYS 84 -12.662 9.780 -3.117 632 HG2 LYS 84 HG2 LYS 84 -10.618 8.703 -4.572 633 HG3 LYS 84 HG3 LYS 84 -11.847 8.999 -5.804 634 HD2 LYS 84 HD2 LYS 84 -12.022 11.326 -5.051 635 HD3 LYS 84 HD3 LYS 84 -10.780 11.022 -3.833 636 HE2 LYS 84 HE2 LYS 84 -9.548 11.967 -5.538 637 HE3 LYS 84 HE3 LYS 84 -9.353 10.247 -5.872 638 HZ1 LYS 84 HZ1 LYS 84 -11.451 11.900 -7.155 639 HZ2 LYS 84 HZ2 LYS 84 -10.921 10.358 -7.619 640 HZ3 LYS 84 HZ3 LYS 84 -9.910 11.707 -7.823 641 H MET 85 H MET 85 -14.234 6.644 -4.357 642 HA MET 85 HA MET 85 -12.502 4.578 -5.561 643 HB2 MET 85 HB2 MET 85 -14.775 4.221 -3.917 644 HB3 MET 85 HB3 MET 85 -15.260 3.782 -5.540 645 HG2 MET 85 HG2 MET 85 -13.305 2.264 -5.656 646 HG3 MET 85 HG3 MET 85 -12.988 2.618 -3.960 647 HE1 MET 85 HE1 MET 85 -14.353 -0.839 -3.270 648 HE2 MET 85 HE2 MET 85 -13.594 0.504 -2.413 649 HE3 MET 85 HE3 MET 85 -12.949 -0.033 -3.967 650 H GLU 86 H GLU 86 -12.456 4.551 -7.717 651 HA GLU 86 HA GLU 86 -14.735 5.603 -9.205 652 HB2 GLU 86 HB2 GLU 86 -12.940 6.700 -10.759 653 HB3 GLU 86 HB3 GLU 86 -13.504 7.550 -9.333 654 HG2 GLU 86 HG2 GLU 86 -11.494 6.555 -8.137 655 HG3 GLU 86 HG3 GLU 86 -10.905 6.128 -9.741 656 H GLY 87 H GLY 87 -15.329 4.141 -10.629 657 HA2 GLY 87 HA2 GLY 87 -15.228 2.509 -12.246 658 HA3 GLY 87 HA3 GLY 87 -13.522 2.894 -12.438 659 H GLY 88 H GLY 88 -14.967 1.918 -9.404 660 HA2 GLY 88 HA2 GLY 88 -14.716 0.014 -8.130 661 HA3 GLY 88 HA3 GLY 88 -14.302 -0.843 -9.611 662 H LYS 89 H LYS 89 -12.622 2.001 -8.487 663 HA LYS 89 HA LYS 89 -10.339 0.336 -7.681 664 HB2 LYS 89 HB2 LYS 89 -10.045 2.838 -9.352 665 HB3 LYS 89 HB3 LYS 89 -8.780 1.715 -8.882 666 HG2 LYS 89 HG2 LYS 89 -10.032 -0.031 -10.220 667 HG3 LYS 89 HG3 LYS 89 -10.978 1.304 -10.876 668 HD2 LYS 89 HD2 LYS 89 -8.843 2.373 -11.596 669 HD3 LYS 89 HD3 LYS 89 -7.993 0.918 -11.071 670 HE2 LYS 89 HE2 LYS 89 -9.588 -0.348 -12.627 671 HE3 LYS 89 HE3 LYS 89 -9.969 1.230 -13.316 672 HZ1 LYS 89 HZ1 LYS 89 -8.258 0.353 -14.633 673 HZ2 LYS 89 HZ2 LYS 89 -7.365 -0.184 -13.299 674 HZ3 LYS 89 HZ3 LYS 89 -7.483 1.473 -13.633 675 H ILE 90 H ILE 90 -9.481 0.942 -5.811 676 HA ILE 90 HA ILE 90 -10.527 3.290 -4.485 677 HB ILE 90 HB ILE 90 -8.389 1.464 -3.404 678 HG12 ILE 90 HG12 ILE 90 -11.335 1.006 -3.705 679 HG13 ILE 90 HG13 ILE 90 -10.013 -0.133 -3.898 680 HG21 ILE 90 HG21 ILE 90 -9.116 2.217 -1.289 681 HG22 ILE 90 HG22 ILE 90 -10.561 2.966 -1.973 682 HG23 ILE 90 HG23 ILE 90 -8.970 3.650 -2.312 683 HD11 ILE 90 HD11 ILE 90 -9.710 -0.150 -1.458 684 HD12 ILE 90 HD12 ILE 90 -11.318 -0.684 -1.947 685 HD13 ILE 90 HD13 ILE 90 -11.087 0.940 -1.300 686 H VAL 91 H VAL 91 -9.637 5.209 -4.922 687 HA VAL 91 HA VAL 91 -6.721 5.331 -5.330 688 HB VAL 91 HB VAL 91 -7.865 6.002 -7.355 689 HG11 VAL 91 HG11 VAL 91 -9.483 7.725 -7.490 690 HG12 VAL 91 HG12 VAL 91 -9.238 8.165 -5.802 691 HG13 VAL 91 HG13 VAL 91 -10.002 6.631 -6.209 692 HG21 VAL 91 HG21 VAL 91 -6.673 8.297 -5.817 693 HG22 VAL 91 HG22 VAL 91 -7.070 8.381 -7.534 694 HG23 VAL 91 HG23 VAL 91 -5.869 7.222 -6.963 695 H ALA 92 H ALA 92 -5.550 6.593 -4.034 696 HA ALA 92 HA ALA 92 -7.010 8.085 -1.955 697 HB1 ALA 92 HB1 ALA 92 -5.499 6.117 -1.374 698 HB2 ALA 92 HB2 ALA 92 -5.268 7.609 -0.467 699 HB3 ALA 92 HB3 ALA 92 -4.154 7.182 -1.768 700 H ASP 93 H ASP 93 -6.618 10.217 -1.604 701 HA ASP 93 HA ASP 93 -5.122 11.621 -3.656 702 HB2 ASP 93 HB2 ASP 93 -7.196 12.638 -3.255 703 HB3 ASP 93 HB3 ASP 93 -7.046 12.469 -1.512 704 H PHE 94 H PHE 94 -3.089 12.183 -3.447 705 HA PHE 94 HA PHE 94 -2.059 13.073 -0.869 706 HB2 PHE 94 HB2 PHE 94 -0.941 10.773 -2.459 707 HB3 PHE 94 HB3 PHE 94 0.036 11.679 -1.310 708 HD1 PHE 94 HD1 PHE 94 -0.523 11.629 1.089 709 HD2 PHE 94 HD2 PHE 94 -2.504 9.162 -1.757 710 HE1 PHE 94 HE1 PHE 94 -1.358 10.208 2.910 711 HE2 PHE 94 HE2 PHE 94 -3.349 7.740 0.066 712 HZ PHE 94 HZ PHE 94 -2.766 8.253 2.399 713 HA PRO 95 HA PRO 95 0.095 15.931 -3.473 714 HB2 PRO 95 HB2 PRO 95 2.107 16.674 -1.816 715 HB3 PRO 95 HB3 PRO 95 0.425 17.163 -1.544 716 HG2 PRO 95 HG2 PRO 95 2.005 15.029 -0.210 717 HG3 PRO 95 HG3 PRO 95 0.821 16.161 0.472 718 HD2 PRO 95 HD2 PRO 95 0.250 13.555 -0.141 719 HD3 PRO 95 HD3 PRO 95 -0.957 14.854 -0.095 720 H ASN 96 H ASN 96 1.182 15.219 -5.198 721 HA ASN 96 HA ASN 96 2.796 14.345 -6.533 722 HB2 ASN 96 HB2 ASN 96 4.199 15.690 -4.690 723 HB3 ASN 96 HB3 ASN 96 4.766 14.068 -4.305 724 HD21 ASN 96 HD21 ASN 96 6.209 16.337 -5.395 725 HD22 ASN 96 HD22 ASN 96 6.874 15.813 -6.901 726 H TYR 97 H TYR 97 1.072 12.674 -4.642 727 HA TYR 97 HA TYR 97 2.409 10.129 -5.213 728 HB2 TYR 97 HB2 TYR 97 2.719 10.967 -2.778 729 HB3 TYR 97 HB3 TYR 97 1.020 10.575 -2.580 730 HD1 TYR 97 HD1 TYR 97 0.367 8.116 -3.360 731 HD2 TYR 97 HD2 TYR 97 4.285 9.373 -2.262 732 HE1 TYR 97 HE1 TYR 97 0.973 5.787 -2.868 733 HE2 TYR 97 HE2 TYR 97 4.897 7.046 -1.767 734 HH TYR 97 HH TYR 97 4.050 4.964 -1.407 735 H HIS 98 H HIS 98 1.079 8.715 -6.095 736 HA HIS 98 HA HIS 98 -1.815 9.067 -5.737 737 HB2 HIS 98 HB2 HIS 98 -0.267 9.173 -8.206 738 HB3 HIS 98 HB3 HIS 98 -1.557 7.980 -8.269 739 HD1 HIS 98 HD1 HIS 98 -1.844 11.283 -6.447 740 HD2 HIS 98 HD2 HIS 98 -3.256 9.399 -9.872 741 HE1 HIS 98 HE1 HIS 98 -3.630 12.800 -7.373 742 HE2 HIS 98 HE2 HIS 98 -4.531 11.592 -9.393 743 H HIS 99 H HIS 99 -2.490 7.325 -4.663 744 HA HIS 99 HA HIS 99 -1.282 4.726 -5.348 745 HB2 HIS 99 HB2 HIS 99 -1.082 5.687 -2.939 746 HB3 HIS 99 HB3 HIS 99 -2.776 5.237 -2.784 747 HD2 HIS 99 HD2 HIS 99 -3.272 2.431 -2.987 748 HE1 HIS 99 HE1 HIS 99 0.753 1.446 -2.129 749 HE2 HIS 99 HE2 HIS 99 -1.631 0.583 -2.164 750 H THR 100 H THR 100 -2.528 3.529 -6.570 751 HA THR 100 HA THR 100 -5.442 3.589 -6.149 752 HB THR 100 HB THR 100 -5.617 2.914 -8.588 753 HG1 THR 100 HG1 THR 100 -3.281 2.425 -8.704 754 HG21 THR 100 HG21 THR 100 -5.460 5.182 -9.421 755 HG22 THR 100 HG22 THR 100 -4.429 5.640 -8.066 756 HG23 THR 100 HG23 THR 100 -6.111 5.200 -7.783 757 H ALA 101 H ALA 101 -6.367 1.694 -5.687 758 HA ALA 101 HA ALA 101 -4.787 -0.763 -6.108 759 HB1 ALA 101 HB1 ALA 101 -5.890 -1.702 -4.170 760 HB2 ALA 101 HB2 ALA 101 -6.883 -0.259 -3.996 761 HB3 ALA 101 HB3 ALA 101 -5.144 -0.165 -3.733 762 H GLU 102 H GLU 102 -5.724 -2.419 -7.229 763 HA GLU 102 HA GLU 102 -8.592 -2.453 -7.687 764 HB2 GLU 102 HB2 GLU 102 -8.351 -2.502 -10.145 765 HB3 GLU 102 HB3 GLU 102 -7.868 -0.963 -9.450 766 HG2 GLU 102 HG2 GLU 102 -5.491 -1.870 -9.512 767 HG3 GLU 102 HG3 GLU 102 -6.131 -3.126 -10.569 768 H ILE 103 H ILE 103 -9.056 -4.316 -9.355 769 HA ILE 103 HA ILE 103 -7.415 -6.625 -8.544 770 HB ILE 103 HB ILE 103 -10.357 -6.626 -9.255 771 HG12 ILE 103 HG12 ILE 103 -9.833 -5.538 -7.048 772 HG13 ILE 103 HG13 ILE 103 -10.844 -6.978 -6.929 773 HG21 ILE 103 HG21 ILE 103 -9.206 -8.703 -9.837 774 HG22 ILE 103 HG22 ILE 103 -10.328 -8.949 -8.496 775 HG23 ILE 103 HG23 ILE 103 -8.592 -8.833 -8.190 776 HD11 ILE 103 HD11 ILE 103 -7.880 -6.889 -6.424 777 HD12 ILE 103 HD12 ILE 103 -8.940 -8.288 -6.234 778 HD13 ILE 103 HD13 ILE 103 -9.134 -6.881 -5.187 779 H SER 104 H SER 104 -6.207 -7.242 -10.205 780 HA SER 104 HA SER 104 -7.465 -7.299 -12.866 781 HB2 SER 104 HB2 SER 104 -4.606 -6.638 -12.153 782 HB3 SER 104 HB3 SER 104 -5.191 -6.869 -13.799 783 HG SER 104 HG SER 104 -6.797 -5.124 -12.579 784 H GLY 105 H GLY 105 -7.942 -9.374 -13.186 785 HA2 GLY 105 HA2 GLY 105 -7.557 -11.589 -13.687 786 HA3 GLY 105 HA3 GLY 105 -5.842 -11.307 -13.434 787 H GLY 106 H GLY 106 -8.417 -10.694 -11.117 788 HA2 GLY 106 HA2 GLY 106 -8.902 -11.646 -9.078 789 HA3 GLY 106 HA3 GLY 106 -8.078 -13.095 -9.634 790 H LYS 107 H LYS 107 -6.442 -10.038 -9.606 791 HA LYS 107 HA LYS 107 -5.018 -10.766 -7.148 792 HB2 LYS 107 HB2 LYS 107 -3.938 -10.484 -9.877 793 HB3 LYS 107 HB3 LYS 107 -3.008 -9.694 -8.615 794 HG2 LYS 107 HG2 LYS 107 -2.541 -11.691 -7.531 795 HG3 LYS 107 HG3 LYS 107 -3.865 -12.542 -8.331 796 HD2 LYS 107 HD2 LYS 107 -2.683 -12.479 -10.439 797 HD3 LYS 107 HD3 LYS 107 -1.398 -11.506 -9.718 798 HE2 LYS 107 HE2 LYS 107 -1.072 -13.431 -8.093 799 HE3 LYS 107 HE3 LYS 107 -2.104 -14.374 -9.164 800 HZ1 LYS 107 HZ1 LYS 107 0.503 -14.332 -9.412 801 HZ2 LYS 107 HZ2 LYS 107 0.159 -12.971 -10.366 802 HZ3 LYS 107 HZ3 LYS 107 -0.519 -14.467 -10.755 803 H LEU 108 H LEU 108 -4.143 -9.071 -5.996 804 HA LEU 108 HA LEU 108 -5.380 -6.482 -6.496 805 HB2 LEU 108 HB2 LEU 108 -5.111 -7.813 -4.213 806 HB3 LEU 108 HB3 LEU 108 -3.539 -7.045 -4.201 807 HG LEU 108 HG LEU 108 -4.906 -5.686 -2.866 808 HD11 LEU 108 HD11 LEU 108 -3.566 -4.420 -4.498 809 HD12 LEU 108 HD12 LEU 108 -5.015 -3.567 -3.969 810 HD13 LEU 108 HD13 LEU 108 -4.975 -4.344 -5.552 811 HD21 LEU 108 HD21 LEU 108 -7.058 -6.624 -3.514 812 HD22 LEU 108 HD22 LEU 108 -6.992 -5.730 -5.033 813 HD23 LEU 108 HD23 LEU 108 -7.097 -4.859 -3.503 814 H VAL 109 H VAL 109 -4.312 -5.048 -7.699 815 HA VAL 109 HA VAL 109 -1.379 -5.009 -7.495 816 HB VAL 109 HB VAL 109 -1.745 -5.747 -9.694 817 HG11 VAL 109 HG11 VAL 109 -4.218 -5.167 -9.641 818 HG12 VAL 109 HG12 VAL 109 -3.392 -5.022 -11.193 819 HG13 VAL 109 HG13 VAL 109 -3.747 -3.579 -10.240 820 HG21 VAL 109 HG21 VAL 109 -1.493 -2.752 -9.863 821 HG22 VAL 109 HG22 VAL 109 -1.014 -3.905 -11.108 822 HG23 VAL 109 HG23 VAL 109 -0.178 -3.878 -9.554 823 H GLU 110 H GLU 110 -0.803 -3.330 -6.354 824 HA GLU 110 HA GLU 110 -2.432 -0.899 -6.426 825 HB2 GLU 110 HB2 GLU 110 -0.310 -1.879 -4.522 826 HB3 GLU 110 HB3 GLU 110 -0.943 -0.242 -4.470 827 HG2 GLU 110 HG2 GLU 110 -3.050 -0.944 -3.788 828 HG3 GLU 110 HG3 GLU 110 -2.777 -2.597 -4.329 829 H ILE 111 H ILE 111 -1.718 0.953 -7.236 830 HA ILE 111 HA ILE 111 1.042 1.009 -8.249 831 HB ILE 111 HB ILE 111 -1.421 2.312 -9.431 832 HG12 ILE 111 HG12 ILE 111 -0.238 0.977 -11.458 833 HG13 ILE 111 HG13 ILE 111 0.268 -0.035 -10.114 834 HG21 ILE 111 HG21 ILE 111 0.184 3.115 -11.193 835 HG22 ILE 111 HG22 ILE 111 1.495 2.653 -10.103 836 HG23 ILE 111 HG23 ILE 111 0.343 3.902 -9.621 837 HD11 ILE 111 HD11 ILE 111 -2.565 0.661 -10.832 838 HD12 ILE 111 HD12 ILE 111 -2.064 -0.354 -9.479 839 HD13 ILE 111 HD13 ILE 111 -1.756 -0.872 -11.137 840 H SER 112 H SER 112 2.311 2.596 -7.585 841 HA SER 112 HA SER 112 1.101 4.850 -6.114 842 HB2 SER 112 HB2 SER 112 3.771 3.668 -5.373 843 HB3 SER 112 HB3 SER 112 2.704 4.681 -4.401 844 HG SER 112 HG SER 112 1.442 2.976 -3.967 845 H THR 113 H THR 113 1.408 6.552 -7.389 846 HA THR 113 HA THR 113 3.863 6.730 -8.988 847 HB THR 113 HB THR 113 1.740 8.793 -9.195 848 HG1 THR 113 HG1 THR 113 1.251 6.128 -9.403 849 HG21 THR 113 HG21 THR 113 3.520 7.306 -11.120 850 HG22 THR 113 HG22 THR 113 3.620 9.001 -10.645 851 HG23 THR 113 HG23 THR 113 2.270 8.441 -11.632 852 H SER 114 H SER 114 5.460 8.051 -8.465 853 HA SER 114 HA SER 114 4.870 10.404 -6.830 854 HB2 SER 114 HB2 SER 114 6.967 9.971 -5.516 855 HB3 SER 114 HB3 SER 114 5.701 8.776 -5.238 856 HG SER 114 HG SER 114 7.780 8.413 -7.132 857 H SER 115 H SER 115 5.354 12.015 -8.169 858 HA SER 115 HA SER 115 6.435 13.340 -9.652 859 HB2 SER 115 HB2 SER 115 8.851 11.884 -8.558 860 HB3 SER 115 HB3 SER 115 8.920 13.341 -9.551 861 HG SER 115 HG SER 115 7.217 13.682 -7.482 862 H GLY 116 H GLY 116 5.293 11.054 -10.751 863 HA2 GLY 116 HA2 GLY 116 5.266 10.393 -13.016 864 HA3 GLY 116 HA3 GLY 116 6.977 10.777 -13.122 865 H VAL 117 H VAL 117 7.655 9.286 -10.709 866 HA VAL 117 HA VAL 117 8.181 6.788 -11.916 867 HB VAL 117 HB VAL 117 8.376 7.581 -9.003 868 HG11 VAL 117 HG11 VAL 117 8.316 5.224 -9.018 869 HG12 VAL 117 HG12 VAL 117 10.027 5.643 -8.948 870 HG13 VAL 117 HG13 VAL 117 9.306 5.128 -10.471 871 HG21 VAL 117 HG21 VAL 117 9.807 8.935 -10.383 872 HG22 VAL 117 HG22 VAL 117 10.421 7.506 -11.212 873 HG23 VAL 117 HG23 VAL 117 10.795 7.766 -9.510 874 H VAL 118 H VAL 118 6.720 5.276 -12.300 875 HA VAL 118 HA VAL 118 4.387 5.048 -10.563 876 HB VAL 118 HB VAL 118 4.951 3.652 -13.186 877 HG11 VAL 118 HG11 VAL 118 2.507 3.781 -11.432 878 HG12 VAL 118 HG12 VAL 118 3.416 2.350 -11.914 879 HG13 VAL 118 HG13 VAL 118 2.472 3.237 -13.110 880 HG21 VAL 118 HG21 VAL 118 4.728 6.110 -13.376 881 HG22 VAL 118 HG22 VAL 118 3.133 5.991 -12.630 882 HG23 VAL 118 HG23 VAL 118 3.434 5.229 -14.194 883 H TYR 119 H TYR 119 4.669 3.812 -8.866 884 HA TYR 119 HA TYR 119 6.355 1.430 -9.002 885 HB2 TYR 119 HB2 TYR 119 6.719 2.811 -7.074 886 HB3 TYR 119 HB3 TYR 119 4.997 2.893 -6.733 887 HD1 TYR 119 HD1 TYR 119 7.929 0.633 -6.736 888 HD2 TYR 119 HD2 TYR 119 3.944 1.263 -5.385 889 HE1 TYR 119 HE1 TYR 119 8.146 -1.283 -5.216 890 HE2 TYR 119 HE2 TYR 119 4.147 -0.652 -3.861 891 HH TYR 119 HH TYR 119 6.730 -2.890 -4.085 892 H LYS 120 H LYS 120 5.551 -0.615 -8.999 893 HA LYS 120 HA LYS 120 2.663 -0.956 -8.586 894 HB2 LYS 120 HB2 LYS 120 4.407 -2.132 -10.739 895 HB3 LYS 120 HB3 LYS 120 2.811 -2.739 -10.356 896 HG2 LYS 120 HG2 LYS 120 1.752 -0.889 -11.227 897 HG3 LYS 120 HG3 LYS 120 3.180 0.136 -11.043 898 HD2 LYS 120 HD2 LYS 120 4.288 -0.931 -12.839 899 HD3 LYS 120 HD3 LYS 120 3.088 -2.219 -12.904 900 HE2 LYS 120 HE2 LYS 120 1.409 -0.656 -13.677 901 HE3 LYS 120 HE3 LYS 120 2.545 0.680 -13.525 902 HZ1 LYS 120 HZ1 LYS 120 2.598 -1.564 -15.449 903 HZ2 LYS 120 HZ2 LYS 120 3.980 -0.641 -15.142 904 HZ3 LYS 120 HZ3 LYS 120 2.594 0.096 -15.779 905 H ARG 121 H ARG 121 2.063 -2.679 -7.398 906 HA ARG 121 HA ARG 121 3.974 -4.829 -6.956 907 HB2 ARG 121 HB2 ARG 121 3.677 -4.853 -4.549 908 HB3 ARG 121 HB3 ARG 121 4.321 -3.301 -5.054 909 HG2 ARG 121 HG2 ARG 121 2.298 -2.200 -4.630 910 HG3 ARG 121 HG3 ARG 121 1.391 -3.715 -4.558 911 HD2 ARG 121 HD2 ARG 121 2.898 -4.294 -2.563 912 HD3 ARG 121 HD3 ARG 121 3.333 -2.589 -2.556 913 HE ARG 121 HE ARG 121 0.523 -2.849 -2.553 914 HH11 ARG 121 HH11 ARG 121 3.310 -3.375 -0.459 915 HH12 ARG 121 HH12 ARG 121 2.361 -3.094 1.052 916 HH21 ARG 121 HH21 ARG 121 -0.692 -2.468 -0.685 917 HH22 ARG 121 HH22 ARG 121 0.134 -2.563 0.926 918 H THR 122 H THR 122 3.051 -6.687 -7.279 919 HA THR 122 HA THR 122 0.117 -6.828 -7.337 920 HB THR 122 HB THR 122 2.044 -8.887 -8.406 921 HG1 THR 122 HG1 THR 122 1.500 -6.369 -9.337 922 HG21 THR 122 HG21 THR 122 -0.771 -8.202 -9.248 923 HG22 THR 122 HG22 THR 122 -0.365 -9.483 -8.106 924 HG23 THR 122 HG23 THR 122 0.199 -9.579 -9.775 925 H SER 123 H SER 123 -0.977 -8.021 -5.933 926 HA SER 123 HA SER 123 0.515 -9.921 -4.250 927 HB2 SER 123 HB2 SER 123 -1.773 -8.213 -3.261 928 HB3 SER 123 HB3 SER 123 -0.650 -9.182 -2.305 929 HG SER 123 HG SER 123 -0.290 -6.683 -3.495 930 H LYS 124 H LYS 124 -0.376 -11.880 -4.044 931 HA LYS 124 HA LYS 124 -2.703 -12.510 -5.641 932 HB2 LYS 124 HB2 LYS 124 -2.252 -14.840 -4.931 933 HB3 LYS 124 HB3 LYS 124 -0.843 -14.065 -5.642 934 HG2 LYS 124 HG2 LYS 124 0.019 -13.619 -3.381 935 HG3 LYS 124 HG3 LYS 124 -1.369 -14.480 -2.709 936 HD2 LYS 124 HD2 LYS 124 -0.667 -16.532 -3.693 937 HD3 LYS 124 HD3 LYS 124 0.566 -15.714 -4.656 938 HE2 LYS 124 HE2 LYS 124 1.731 -15.079 -2.581 939 HE3 LYS 124 HE3 LYS 124 0.524 -15.964 -1.648 940 HZ1 LYS 124 HZ1 LYS 124 1.258 -17.991 -2.509 941 HZ2 LYS 124 HZ2 LYS 124 2.682 -17.149 -2.161 942 HZ3 LYS 124 HZ3 LYS 124 2.136 -17.264 -3.756 943 H LYS 125 H LYS 125 -4.577 -13.642 -4.786 944 HA LYS 125 HA LYS 125 -5.300 -12.629 -2.126 945 HB2 LYS 125 HB2 LYS 125 -6.692 -12.223 -4.320 946 HB3 LYS 125 HB3 LYS 125 -7.277 -13.854 -4.027 947 HG2 LYS 125 HG2 LYS 125 -7.470 -11.569 -2.070 948 HG3 LYS 125 HG3 LYS 125 -8.769 -12.105 -3.132 949 HD2 LYS 125 HD2 LYS 125 -7.689 -14.322 -1.640 950 HD3 LYS 125 HD3 LYS 125 -8.172 -13.022 -0.554 951 HE2 LYS 125 HE2 LYS 125 -9.949 -14.683 -1.003 952 HE3 LYS 125 HE3 LYS 125 -10.395 -13.031 -1.431 953 HZ1 LYS 125 HZ1 LYS 125 -9.631 -15.236 -3.260 954 HZ2 LYS 125 HZ2 LYS 125 -9.740 -13.627 -3.760 955 HZ3 LYS 125 HZ3 LYS 125 -11.109 -14.422 -3.179 956 H ILE 126 H ILE 126 -5.348 -13.982 -0.483 957 HA ILE 126 HA ILE 126 -5.955 -16.804 -0.996 958 HB ILE 126 HB ILE 126 -4.102 -16.368 1.250 959 HG12 ILE 126 HG12 ILE 126 -2.178 -16.546 -0.617 960 HG13 ILE 126 HG13 ILE 126 -3.323 -15.550 -1.509 961 HG21 ILE 126 HG21 ILE 126 -3.047 -18.385 0.251 962 HG22 ILE 126 HG22 ILE 126 -4.247 -18.314 -1.040 963 HG23 ILE 126 HG23 ILE 126 -4.759 -18.574 0.628 964 HD11 ILE 126 HD11 ILE 126 -3.194 -13.818 0.064 965 HD12 ILE 126 HD12 ILE 126 -1.533 -14.355 -0.186 966 HD13 ILE 126 HD13 ILE 126 -2.411 -14.854 1.259 967 H ALA 127 H ALA 127 -6.625 -17.936 1.038 968 HA ALA 127 HA ALA 127 -7.627 -16.255 3.170 969 HB1 ALA 127 HB1 ALA 127 -9.537 -17.852 1.463 970 HB2 ALA 127 HB2 ALA 127 -9.396 -16.095 1.469 971 HB3 ALA 127 HB3 ALA 127 -9.947 -16.938 2.913 972 H11 CHO 200 H11 CHO 200 6.855 -0.101 -1.305 973 H12 CHO 200 H12 CHO 200 7.306 -1.205 0.026 974 H21 CHO 200 H21 CHO 200 5.441 -0.364 1.382 975 H22 CHO 200 H22 CHO 200 4.852 -0.977 -0.189 976 H3 CHO 200 H3 CHO 200 4.761 1.321 -1.068 977 HO3 CHO 200 HO3 CHO 200 3.498 1.116 1.531 978 H41 CHO 200 H41 CHO 200 5.629 2.108 1.752 979 H42 CHO 200 H42 CHO 200 5.177 3.231 0.445 980 H5 CHO 200 H5 CHO 200 7.036 2.366 -0.939 981 H61 CHO 200 H61 CHO 200 7.369 4.307 0.596 982 H62 CHO 200 H62 CHO 200 8.865 3.373 0.354 983 H7 CHO 200 H7 CHO 200 8.591 3.900 2.722 984 HO7 CHO 200 HO7 CHO 200 6.221 2.276 2.802 985 H8 CHO 200 H8 CHO 200 9.607 1.772 2.187 986 H9 CHO 200 H9 CHO 200 6.774 0.655 2.335 987 H111 CHO 200 H111 CHO 200 9.385 -0.789 1.787 988 H112 CHO 200 H112 CHO 200 7.736 -1.497 1.841 989 H121 CHO 200 H121 CHO 200 9.023 -1.907 3.939 990 H122 CHO 200 H122 CHO 200 7.541 -0.968 4.212 991 H14 CHO 200 H14 CHO 200 7.610 1.586 4.406 992 H151 CHO 200 H151 CHO 200 9.068 3.408 5.060 993 H152 CHO 200 H152 CHO 200 10.478 2.711 4.341 994 H161 CHO 200 H161 CHO 200 9.196 2.099 6.981 995 H162 CHO 200 H162 CHO 200 10.841 1.748 6.498 996 H17 CHO 200 H17 CHO 200 8.417 -0.017 6.307 997 H181 CHO 200 H181 CHO 200 11.056 1.247 3.550 998 H182 CHO 200 H182 CHO 200 10.802 -0.367 2.842 999 H183 CHO 200 H183 CHO 200 11.477 -0.209 4.482 1000 H191 CHO 200 H191 CHO 200 9.396 1.868 -0.469 1001 H192 CHO 200 H192 CHO 200 9.137 0.205 -1.051 1002 H193 CHO 200 H193 CHO 200 9.821 0.485 0.568 1003 H20 CHO 200 H20 CHO 200 11.326 -0.632 6.081 1004 H211 CHO 200 H211 CHO 200 9.744 -2.762 7.113 1005 H212 CHO 200 H212 CHO 200 10.649 -2.701 5.581 1006 H213 CHO 200 H213 CHO 200 8.948 -2.180 5.632 1007 H221 CHO 200 H221 CHO 200 9.407 -0.669 8.445 1008 H222 CHO 200 H222 CHO 200 10.806 0.422 8.218 1009 H231 CHO 200 H231 CHO 200 12.306 -1.565 8.186 1010 H232 CHO 200 H232 CHO 200 10.883 -2.595 8.539 1011 HN CHO 200 HN CHO 200 11.434 -3.357 10.561 1012 H261 CHO 200 H261 CHO 200 11.574 -1.312 12.704 1013 H262 CHO 200 H262 CHO 200 12.663 -2.727 12.658 1014 H11 CHO 201 H11 CHO 201 -6.310 4.275 0.666 1015 H12 CHO 201 H12 CHO 201 -4.890 5.000 -0.139 1016 H21 CHO 201 H21 CHO 201 -4.029 2.766 -0.681 1017 H22 CHO 201 H22 CHO 201 -5.686 2.969 -1.316 1018 H3 CHO 201 H3 CHO 201 -6.595 1.746 0.620 1019 HO3 CHO 201 HO3 CHO 201 -4.351 0.330 -0.546 1020 H41 CHO 201 H41 CHO 201 -3.666 1.408 1.409 1021 H42 CHO 201 H42 CHO 201 -5.063 0.664 2.225 1022 H5 CHO 201 H5 CHO 201 -5.958 2.912 2.741 1023 H61 CHO 201 H61 CHO 201 -4.416 1.737 4.318 1024 H62 CHO 201 H62 CHO 201 -4.339 3.516 4.449 1025 H7 CHO 201 H7 CHO 201 -2.087 2.618 4.485 1026 HO7 CHO 201 HO7 CHO 201 -2.491 1.567 1.831 1027 H8 CHO 201 H8 CHO 201 -2.390 4.728 3.330 1028 H9 CHO 201 H9 CHO 201 -2.772 3.009 0.834 1029 H111 CHO 201 H111 CHO 201 -2.779 6.027 1.068 1030 H112 CHO 201 H112 CHO 201 -2.992 5.025 -0.413 1031 H121 CHO 201 H121 CHO 201 -0.700 5.996 -0.224 1032 H122 CHO 201 H122 CHO 201 -0.700 4.228 -0.261 1033 H14 CHO 201 H14 CHO 201 -0.569 2.843 1.880 1034 H151 CHO 201 H151 CHO 201 0.238 2.979 4.210 1035 H152 CHO 201 H152 CHO 201 -0.032 4.664 4.342 1036 H161 CHO 201 H161 CHO 201 2.017 3.158 2.623 1037 H162 CHO 201 H162 CHO 201 2.295 4.626 3.532 1038 H17 CHO 201 H17 CHO 201 1.560 4.434 0.737 1039 H181 CHO 201 H181 CHO 201 -0.702 7.184 1.911 1040 H182 CHO 201 H182 CHO 201 -0.021 6.408 3.361 1041 H183 CHO 201 H183 CHO 201 -1.723 6.131 2.919 1042 H191 CHO 201 H191 CHO 201 -4.531 6.170 1.973 1043 H192 CHO 201 H192 CHO 201 -3.972 5.285 3.412 1044 H193 CHO 201 H193 CHO 201 -5.696 5.272 2.974 1045 H20 CHO 201 H20 CHO 201 1.647 6.817 2.557 1046 H211 CHO 201 H211 CHO 201 1.208 6.486 -0.380 1047 H212 CHO 201 H212 CHO 201 2.260 7.817 0.162 1048 H213 CHO 201 H213 CHO 201 0.581 7.716 0.743 1049 H221 CHO 201 H221 CHO 201 3.722 5.583 0.710 1050 H222 CHO 201 H222 CHO 201 3.731 5.535 2.501 1051 H231 CHO 201 H231 CHO 201 3.846 8.001 2.556 1052 H232 CHO 201 H232 CHO 201 3.893 8.018 0.765 1053 HN CHO 201 HN CHO 201 5.493 5.632 2.912 1054 H261 CHO 201 H261 CHO 201 8.080 6.336 1.698 1055 H262 CHO 201 H262 CHO 201 7.671 4.858 2.602 Start of MODEL 18 1 H ALA 1 H ALA 1 -13.432 -6.536 -5.357 2 HA ALA 1 HA ALA 1 -13.766 -9.059 -3.866 3 HB1 ALA 1 HB1 ALA 1 -13.812 -9.662 -6.184 4 HB2 ALA 1 HB2 ALA 1 -12.213 -10.047 -5.543 5 HB3 ALA 1 HB3 ALA 1 -12.441 -8.609 -6.535 6 H PHE 2 H PHE 2 -12.828 -6.523 -2.905 7 HA PHE 2 HA PHE 2 -9.936 -6.618 -2.970 8 HB2 PHE 2 HB2 PHE 2 -11.949 -4.806 -1.651 9 HB3 PHE 2 HB3 PHE 2 -10.244 -4.730 -1.223 10 HD1 PHE 2 HD1 PHE 2 -8.586 -4.029 -2.880 11 HD2 PHE 2 HD2 PHE 2 -12.754 -3.932 -3.712 12 HE1 PHE 2 HE1 PHE 2 -8.165 -2.553 -4.800 13 HE2 PHE 2 HE2 PHE 2 -12.342 -2.451 -5.631 14 HZ PHE 2 HZ PHE 2 -10.049 -1.763 -6.178 15 H THR 3 H THR 3 -12.531 -7.725 -0.990 16 HA THR 3 HA THR 3 -11.240 -8.021 1.476 17 HB THR 3 HB THR 3 -13.263 -10.002 0.505 18 HG1 THR 3 HG1 THR 3 -14.823 -8.481 0.542 19 HG21 THR 3 HG21 THR 3 -13.952 -10.040 2.753 20 HG22 THR 3 HG22 THR 3 -13.149 -8.507 3.106 21 HG23 THR 3 HG23 THR 3 -12.189 -9.958 2.837 22 H GLY 4 H GLY 4 -9.981 -9.600 2.351 23 HA2 GLY 4 HA2 GLY 4 -9.475 -12.113 2.074 24 HA3 GLY 4 HA3 GLY 4 -8.986 -11.609 0.469 25 H LYS 5 H LYS 5 -7.175 -12.895 1.932 26 HA LYS 5 HA LYS 5 -5.439 -10.840 3.078 27 HB2 LYS 5 HB2 LYS 5 -4.667 -12.447 4.450 28 HB3 LYS 5 HB3 LYS 5 -5.956 -13.472 3.844 29 HG2 LYS 5 HG2 LYS 5 -4.312 -14.094 1.986 30 HG3 LYS 5 HG3 LYS 5 -3.075 -13.400 3.040 31 HD2 LYS 5 HD2 LYS 5 -4.907 -15.720 3.623 32 HD3 LYS 5 HD3 LYS 5 -3.156 -15.754 3.434 33 HE2 LYS 5 HE2 LYS 5 -2.882 -14.453 5.457 34 HE3 LYS 5 HE3 LYS 5 -4.629 -14.296 5.626 35 HZ1 LYS 5 HZ1 LYS 5 -4.717 -16.769 5.780 36 HZ2 LYS 5 HZ2 LYS 5 -3.910 -16.025 7.072 37 HZ3 LYS 5 HZ3 LYS 5 -3.022 -16.780 5.847 38 H TYR 6 H TYR 6 -3.455 -10.360 2.157 39 HA TYR 6 HA TYR 6 -2.980 -11.580 -0.478 40 HB2 TYR 6 HB2 TYR 6 -2.715 -8.662 0.259 41 HB3 TYR 6 HB3 TYR 6 -2.204 -9.352 -1.271 42 HD1 TYR 6 HD1 TYR 6 -3.880 -10.239 -2.852 43 HD2 TYR 6 HD2 TYR 6 -5.017 -8.175 0.689 44 HE1 TYR 6 HE1 TYR 6 -6.137 -9.909 -3.771 45 HE2 TYR 6 HE2 TYR 6 -7.275 -7.847 -0.219 46 HH TYR 6 HH TYR 6 -8.592 -8.090 -1.975 47 H GLU 7 H GLU 7 -0.955 -12.062 -0.993 48 HA GLU 7 HA GLU 7 1.163 -11.374 0.929 49 HB2 GLU 7 HB2 GLU 7 0.594 -13.980 -0.465 50 HB3 GLU 7 HB3 GLU 7 2.194 -13.603 0.148 51 HG2 GLU 7 HG2 GLU 7 1.443 -13.567 2.378 52 HG3 GLU 7 HG3 GLU 7 -0.254 -13.518 1.889 53 H PHE 8 H PHE 8 3.115 -10.788 0.067 54 HA PHE 8 HA PHE 8 3.246 -9.437 -2.310 55 HB2 PHE 8 HB2 PHE 8 4.943 -9.758 -0.256 56 HB3 PHE 8 HB3 PHE 8 5.745 -10.791 -1.438 57 HD1 PHE 8 HD1 PHE 8 5.937 -9.663 -3.848 58 HD2 PHE 8 HD2 PHE 8 5.580 -7.568 -0.163 59 HE1 PHE 8 HE1 PHE 8 6.975 -7.691 -4.878 60 HE2 PHE 8 HE2 PHE 8 6.614 -5.582 -1.185 61 HZ PHE 8 HZ PHE 8 7.311 -5.638 -3.552 62 H GLU 9 H GLU 9 3.438 -9.938 -4.388 63 HA GLU 9 HA GLU 9 4.186 -12.695 -5.099 64 HB2 GLU 9 HB2 GLU 9 1.757 -12.255 -5.425 65 HB3 GLU 9 HB3 GLU 9 2.173 -10.952 -6.531 66 HG2 GLU 9 HG2 GLU 9 1.864 -12.570 -8.065 67 HG3 GLU 9 HG3 GLU 9 3.548 -12.916 -7.681 68 H SER 10 H SER 10 3.847 -9.417 -6.446 69 HA SER 10 HA SER 10 6.493 -9.639 -7.612 70 HB2 SER 10 HB2 SER 10 3.970 -9.316 -9.244 71 HB3 SER 10 HB3 SER 10 5.559 -8.874 -9.852 72 HG SER 10 HG SER 10 5.366 -11.400 -8.734 73 H ASP 11 H ASP 11 7.167 -7.537 -8.608 74 HA ASP 11 HA ASP 11 5.680 -5.195 -7.786 75 HB2 ASP 11 HB2 ASP 11 7.392 -4.245 -6.409 76 HB3 ASP 11 HB3 ASP 11 7.119 -5.873 -5.801 77 H GLU 12 H GLU 12 6.629 -3.235 -8.660 78 HA GLU 12 HA GLU 12 8.625 -3.592 -10.747 79 HB2 GLU 12 HB2 GLU 12 6.774 -4.010 -12.099 80 HB3 GLU 12 HB3 GLU 12 5.772 -2.882 -11.223 81 HG2 GLU 12 HG2 GLU 12 6.581 -1.056 -12.355 82 HG3 GLU 12 HG3 GLU 12 8.097 -1.859 -12.760 83 H ASN 13 H ASN 13 9.781 -1.834 -11.124 84 HA ASN 13 HA ASN 13 10.816 0.156 -10.740 85 HB2 ASN 13 HB2 ASN 13 7.938 0.828 -10.890 86 HB3 ASN 13 HB3 ASN 13 8.970 2.050 -10.158 87 HD21 ASN 13 HD21 ASN 13 7.641 2.600 -12.445 88 HD22 ASN 13 HD22 ASN 13 8.750 2.714 -13.769 89 H TYR 14 H TYR 14 10.732 -1.536 -8.514 90 HA TYR 14 HA TYR 14 9.842 -0.139 -6.199 91 HB2 TYR 14 HB2 TYR 14 10.372 -2.699 -6.521 92 HB3 TYR 14 HB3 TYR 14 11.990 -2.213 -6.027 93 HD1 TYR 14 HD1 TYR 14 11.661 -0.316 -3.948 94 HD2 TYR 14 HD2 TYR 14 9.271 -3.738 -4.764 95 HE1 TYR 14 HE1 TYR 14 10.946 -0.366 -1.595 96 HE2 TYR 14 HE2 TYR 14 8.550 -3.796 -2.411 97 HH TYR 14 HH TYR 14 9.463 -2.945 -0.155 98 H ASP 15 H ASP 15 13.142 -0.823 -7.389 99 HA ASP 15 HA ASP 15 14.473 0.768 -5.503 100 HB2 ASP 15 HB2 ASP 15 15.357 0.067 -8.294 101 HB3 ASP 15 HB3 ASP 15 16.399 0.676 -7.020 102 H ASP 16 H ASP 16 13.187 1.567 -8.683 103 HA ASP 16 HA ASP 16 14.341 4.140 -8.863 104 HB2 ASP 16 HB2 ASP 16 12.600 2.543 -10.426 105 HB3 ASP 16 HB3 ASP 16 11.786 4.082 -10.162 106 H PHE 17 H PHE 17 11.310 2.953 -7.570 107 HA PHE 17 HA PHE 17 10.120 5.429 -6.970 108 HB2 PHE 17 HB2 PHE 17 8.911 3.279 -7.057 109 HB3 PHE 17 HB3 PHE 17 9.781 2.738 -5.628 110 HD1 PHE 17 HD1 PHE 17 7.590 5.546 -6.739 111 HD2 PHE 17 HD2 PHE 17 8.764 2.933 -3.593 112 HE1 PHE 17 HE1 PHE 17 5.811 6.467 -5.310 113 HE2 PHE 17 HE2 PHE 17 6.990 3.850 -2.162 114 HZ PHE 17 HZ PHE 17 5.517 5.616 -3.019 115 H VAL 18 H VAL 18 11.947 3.153 -4.947 116 HA VAL 18 HA VAL 18 11.861 4.731 -2.622 117 HB VAL 18 HB VAL 18 13.673 3.303 -1.768 118 HG11 VAL 18 HG11 VAL 18 11.401 1.891 -3.148 119 HG12 VAL 18 HG12 VAL 18 11.386 2.588 -1.527 120 HG13 VAL 18 HG13 VAL 18 12.400 1.187 -1.876 121 HG21 VAL 18 HG21 VAL 18 14.278 1.315 -3.243 122 HG22 VAL 18 HG22 VAL 18 15.041 2.858 -3.623 123 HG23 VAL 18 HG23 VAL 18 13.681 2.287 -4.590 124 H LYS 19 H LYS 19 14.231 4.562 -5.262 125 HA LYS 19 HA LYS 19 16.132 6.239 -3.996 126 HB2 LYS 19 HB2 LYS 19 15.632 5.356 -6.800 127 HB3 LYS 19 HB3 LYS 19 16.714 6.714 -6.536 128 HG2 LYS 19 HG2 LYS 19 17.123 4.176 -5.015 129 HG3 LYS 19 HG3 LYS 19 17.665 4.301 -6.687 130 HD2 LYS 19 HD2 LYS 19 19.561 5.018 -5.643 131 HD3 LYS 19 HD3 LYS 19 18.720 6.565 -5.776 132 HE2 LYS 19 HE2 LYS 19 17.965 6.415 -3.499 133 HE3 LYS 19 HE3 LYS 19 18.570 4.766 -3.360 134 HZ1 LYS 19 HZ1 LYS 19 20.012 6.463 -2.320 135 HZ2 LYS 19 HZ2 LYS 19 20.299 7.128 -3.845 136 HZ3 LYS 19 HZ3 LYS 19 20.803 5.548 -3.501 137 H LYS 20 H LYS 20 13.258 6.863 -5.867 138 HA LYS 20 HA LYS 20 13.741 9.640 -6.296 139 HB2 LYS 20 HB2 LYS 20 11.782 7.720 -7.043 140 HB3 LYS 20 HB3 LYS 20 10.955 9.089 -6.311 141 HG2 LYS 20 HG2 LYS 20 13.003 9.367 -8.457 142 HG3 LYS 20 HG3 LYS 20 11.281 9.193 -8.775 143 HD2 LYS 20 HD2 LYS 20 11.014 11.195 -7.165 144 HD3 LYS 20 HD3 LYS 20 12.742 11.447 -7.449 145 HE2 LYS 20 HE2 LYS 20 10.674 11.250 -9.634 146 HE3 LYS 20 HE3 LYS 20 11.239 12.770 -8.944 147 HZ1 LYS 20 HZ1 LYS 20 13.063 10.801 -10.187 148 HZ2 LYS 20 HZ2 LYS 20 13.390 12.407 -9.791 149 HZ3 LYS 20 HZ3 LYS 20 12.332 12.048 -11.063 150 H ILE 21 H ILE 21 11.529 7.889 -4.144 151 HA ILE 21 HA ILE 21 10.725 10.224 -2.736 152 HB ILE 21 HB ILE 21 9.724 8.714 -1.088 153 HG12 ILE 21 HG12 ILE 21 10.749 6.387 -2.688 154 HG13 ILE 21 HG13 ILE 21 11.678 7.033 -1.338 155 HG21 ILE 21 HG21 ILE 21 8.174 7.573 -2.598 156 HG22 ILE 21 HG22 ILE 21 9.291 7.819 -3.939 157 HG23 ILE 21 HG23 ILE 21 8.526 9.207 -3.160 158 HD11 ILE 21 HD11 ILE 21 9.811 6.589 0.163 159 HD12 ILE 21 HD12 ILE 21 10.342 5.123 -0.663 160 HD13 ILE 21 HD13 ILE 21 8.874 5.947 -1.187 161 H GLY 22 H GLY 22 13.648 8.721 -2.763 162 HA2 GLY 22 HA2 GLY 22 15.537 9.000 -1.487 163 HA3 GLY 22 HA3 GLY 22 14.669 10.246 -0.607 164 H LEU 23 H LEU 23 13.819 6.834 -0.879 165 HA LEU 23 HA LEU 23 13.499 6.591 1.953 166 HB2 LEU 23 HB2 LEU 23 12.241 5.339 0.098 167 HB3 LEU 23 HB3 LEU 23 13.670 4.335 -0.035 168 HG LEU 23 HG LEU 23 13.369 3.722 2.388 169 HD11 LEU 23 HD11 LEU 23 11.977 5.633 3.030 170 HD12 LEU 23 HD12 LEU 23 11.192 4.094 3.390 171 HD13 LEU 23 HD13 LEU 23 10.687 5.035 1.988 172 HD21 LEU 23 HD21 LEU 23 10.959 3.019 0.735 173 HD22 LEU 23 HD22 LEU 23 11.808 2.027 1.923 174 HD23 LEU 23 HD23 LEU 23 12.564 2.389 0.375 175 HA PRO 24 HA PRO 24 17.738 5.542 2.897 176 HB2 PRO 24 HB2 PRO 24 17.265 4.334 5.316 177 HB3 PRO 24 HB3 PRO 24 17.326 6.091 5.096 178 HG2 PRO 24 HG2 PRO 24 14.967 4.296 5.294 179 HG3 PRO 24 HG3 PRO 24 15.222 5.913 5.977 180 HD2 PRO 24 HD2 PRO 24 13.738 5.508 3.769 181 HD3 PRO 24 HD3 PRO 24 14.703 6.979 4.006 182 H ALA 25 H ALA 25 19.012 3.779 2.593 183 HA ALA 25 HA ALA 25 18.090 1.487 1.349 184 HB1 ALA 25 HB1 ALA 25 20.622 1.570 2.957 185 HB2 ALA 25 HB2 ALA 25 20.448 2.406 1.417 186 HB3 ALA 25 HB3 ALA 25 20.288 0.649 1.490 187 H ASP 26 H ASP 26 18.718 2.073 4.745 188 HA ASP 26 HA ASP 26 18.575 -0.488 5.771 189 HB2 ASP 26 HB2 ASP 26 19.233 1.196 7.269 190 HB3 ASP 26 HB3 ASP 26 17.846 2.207 6.888 191 H LYS 27 H LYS 27 15.958 1.729 4.904 192 HA LYS 27 HA LYS 27 13.967 -0.170 5.863 193 HB2 LYS 27 HB2 LYS 27 13.605 2.528 4.555 194 HB3 LYS 27 HB3 LYS 27 12.315 1.545 5.222 195 HG2 LYS 27 HG2 LYS 27 14.588 2.794 6.757 196 HG3 LYS 27 HG3 LYS 27 12.897 3.295 6.773 197 HD2 LYS 27 HD2 LYS 27 12.256 1.160 7.759 198 HD3 LYS 27 HD3 LYS 27 13.931 0.611 7.699 199 HE2 LYS 27 HE2 LYS 27 14.257 2.891 9.069 200 HE3 LYS 27 HE3 LYS 27 12.611 2.497 9.555 201 HZ1 LYS 27 HZ1 LYS 27 14.996 0.746 9.835 202 HZ2 LYS 27 HZ2 LYS 27 13.412 0.302 10.247 203 HZ3 LYS 27 HZ3 LYS 27 14.183 1.545 11.091 204 H ILE 28 H ILE 28 15.341 1.000 2.884 205 HA ILE 28 HA ILE 28 13.434 0.134 1.048 206 HB ILE 28 HB ILE 28 16.434 0.318 0.799 207 HG12 ILE 28 HG12 ILE 28 14.255 2.060 -0.347 208 HG13 ILE 28 HG13 ILE 28 15.170 2.438 1.109 209 HG21 ILE 28 HG21 ILE 28 15.957 -1.226 -0.856 210 HG22 ILE 28 HG22 ILE 28 15.879 0.312 -1.719 211 HG23 ILE 28 HG23 ILE 28 14.393 -0.499 -1.226 212 HD11 ILE 28 HD11 ILE 28 17.196 2.618 -0.156 213 HD12 ILE 28 HD12 ILE 28 15.958 3.624 -0.910 214 HD13 ILE 28 HD13 ILE 28 16.379 2.063 -1.615 215 H GLU 29 H GLU 29 16.446 -1.559 1.963 216 HA GLU 29 HA GLU 29 15.747 -3.968 0.644 217 HB2 GLU 29 HB2 GLU 29 17.777 -3.541 2.840 218 HB3 GLU 29 HB3 GLU 29 17.708 -4.917 1.748 219 HG2 GLU 29 HG2 GLU 29 18.158 -2.070 0.886 220 HG3 GLU 29 HG3 GLU 29 19.432 -3.259 1.148 221 H MET 30 H MET 30 15.204 -2.749 3.836 222 HA MET 30 HA MET 30 14.554 -5.181 5.106 223 HB2 MET 30 HB2 MET 30 15.138 -3.074 6.279 224 HB3 MET 30 HB3 MET 30 13.620 -2.376 5.743 225 HG2 MET 30 HG2 MET 30 13.353 -3.037 7.989 226 HG3 MET 30 HG3 MET 30 12.437 -4.169 7.000 227 HE1 MET 30 HE1 MET 30 13.192 -6.733 6.603 228 HE2 MET 30 HE2 MET 30 12.187 -6.264 7.974 229 HE3 MET 30 HE3 MET 30 13.492 -7.430 8.195 230 H GLY 31 H GLY 31 12.651 -2.770 3.336 231 HA2 GLY 31 HA2 GLY 31 10.228 -4.363 3.772 232 HA3 GLY 31 HA3 GLY 31 10.296 -2.734 3.122 233 H ARG 32 H ARG 32 12.433 -5.203 1.898 234 HA ARG 32 HA ARG 32 10.750 -5.339 -0.506 235 HB2 ARG 32 HB2 ARG 32 12.479 -4.889 -1.948 236 HB3 ARG 32 HB3 ARG 32 12.933 -3.873 -0.590 237 HG2 ARG 32 HG2 ARG 32 14.518 -5.550 0.169 238 HG3 ARG 32 HG3 ARG 32 14.030 -6.626 -1.143 239 HD2 ARG 32 HD2 ARG 32 15.317 -3.917 -1.449 240 HD3 ARG 32 HD3 ARG 32 16.111 -5.474 -1.671 241 HE ARG 32 HE ARG 32 14.138 -5.651 -3.444 242 HH11 ARG 32 HH11 ARG 32 16.408 -3.067 -2.716 243 HH12 ARG 32 HH12 ARG 32 16.378 -2.410 -4.412 244 HH21 ARG 32 HH21 ARG 32 14.075 -4.865 -5.594 245 HH22 ARG 32 HH22 ARG 32 15.063 -3.406 -6.016 246 H ASN 33 H ASN 33 10.716 -7.260 -1.614 247 HA ASN 33 HA ASN 33 10.706 -9.509 -1.885 248 HB2 ASN 33 HB2 ASN 33 13.438 -9.393 -0.580 249 HB3 ASN 33 HB3 ASN 33 12.810 -10.708 -1.566 250 HD21 ASN 33 HD21 ASN 33 15.179 -9.045 -1.910 251 HD22 ASN 33 HD22 ASN 33 15.030 -8.320 -3.474 252 H CYS 34 H CYS 34 9.710 -8.339 0.622 253 HA CYS 34 HA CYS 34 10.110 -10.591 2.460 254 HB2 CYS 34 HB2 CYS 34 8.945 -8.909 4.074 255 HB3 CYS 34 HB3 CYS 34 10.631 -8.663 3.649 256 HG CYS 34 HG CYS 34 9.919 -6.158 3.454 257 H LYS 35 H LYS 35 8.215 -11.430 3.583 258 HA LYS 35 HA LYS 35 5.982 -11.649 1.763 259 HB2 LYS 35 HB2 LYS 35 5.149 -13.357 3.412 260 HB3 LYS 35 HB3 LYS 35 6.705 -13.713 2.678 261 HG2 LYS 35 HG2 LYS 35 6.836 -12.261 5.224 262 HG3 LYS 35 HG3 LYS 35 6.175 -13.891 5.325 263 HD2 LYS 35 HD2 LYS 35 8.767 -13.255 3.934 264 HD3 LYS 35 HD3 LYS 35 8.681 -13.669 5.642 265 HE2 LYS 35 HE2 LYS 35 7.642 -15.410 3.413 266 HE3 LYS 35 HE3 LYS 35 9.229 -15.587 4.154 267 HZ1 LYS 35 HZ1 LYS 35 6.597 -15.925 5.477 268 HZ2 LYS 35 HZ2 LYS 35 8.074 -15.913 6.304 269 HZ3 LYS 35 HZ3 LYS 35 7.748 -17.123 5.166 270 H ILE 36 H ILE 36 5.130 -9.554 1.925 271 HA ILE 36 HA ILE 36 4.073 -8.605 4.435 272 HB ILE 36 HB ILE 36 3.468 -7.564 1.665 273 HG12 ILE 36 HG12 ILE 36 5.887 -7.536 2.049 274 HG13 ILE 36 HG13 ILE 36 5.228 -5.909 2.054 275 HG21 ILE 36 HG21 ILE 36 1.920 -6.847 3.433 276 HG22 ILE 36 HG22 ILE 36 2.869 -5.501 2.798 277 HG23 ILE 36 HG23 ILE 36 3.284 -6.213 4.355 278 HD11 ILE 36 HD11 ILE 36 5.986 -7.521 4.463 279 HD12 ILE 36 HD12 ILE 36 5.265 -5.910 4.494 280 HD13 ILE 36 HD13 ILE 36 6.864 -6.148 3.790 281 H VAL 37 H VAL 37 2.170 -9.197 5.261 282 HA VAL 37 HA VAL 37 0.216 -10.475 3.465 283 HB VAL 37 HB VAL 37 -0.004 -10.546 6.455 284 HG11 VAL 37 HG11 VAL 37 -0.869 -12.480 4.312 285 HG12 VAL 37 HG12 VAL 37 -1.904 -11.274 5.075 286 HG13 VAL 37 HG13 VAL 37 -1.232 -12.590 6.037 287 HG21 VAL 37 HG21 VAL 37 2.245 -11.319 6.013 288 HG22 VAL 37 HG22 VAL 37 1.653 -12.396 4.749 289 HG23 VAL 37 HG23 VAL 37 1.223 -12.696 6.431 290 H THR 38 H THR 38 -1.551 -9.422 2.949 291 HA THR 38 HA THR 38 -2.336 -7.110 4.604 292 HB THR 38 HB THR 38 -2.918 -7.472 1.662 293 HG1 THR 38 HG1 THR 38 -0.608 -7.184 2.405 294 HG21 THR 38 HG21 THR 38 -3.310 -4.996 1.803 295 HG22 THR 38 HG22 THR 38 -3.210 -5.148 3.559 296 HG23 THR 38 HG23 THR 38 -4.487 -5.982 2.673 297 H GLU 39 H GLU 39 -4.038 -7.640 5.826 298 HA GLU 39 HA GLU 39 -6.057 -9.456 4.727 299 HB2 GLU 39 HB2 GLU 39 -5.684 -8.466 7.559 300 HB3 GLU 39 HB3 GLU 39 -6.879 -9.645 7.035 301 HG2 GLU 39 HG2 GLU 39 -5.011 -11.110 6.292 302 HG3 GLU 39 HG3 GLU 39 -3.887 -9.958 7.010 303 H VAL 40 H VAL 40 -7.623 -8.513 3.674 304 HA VAL 40 HA VAL 40 -8.590 -5.866 4.537 305 HB VAL 40 HB VAL 40 -8.884 -7.266 1.876 306 HG11 VAL 40 HG11 VAL 40 -9.931 -5.273 1.052 307 HG12 VAL 40 HG12 VAL 40 -9.727 -4.466 2.607 308 HG13 VAL 40 HG13 VAL 40 -10.816 -5.848 2.463 309 HG21 VAL 40 HG21 VAL 40 -7.416 -5.488 1.023 310 HG22 VAL 40 HG22 VAL 40 -6.618 -6.481 2.243 311 HG23 VAL 40 HG23 VAL 40 -7.219 -4.879 2.666 312 H VAL 41 H VAL 41 -10.552 -5.752 5.433 313 HA VAL 41 HA VAL 41 -12.422 -7.971 4.921 314 HB VAL 41 HB VAL 41 -11.684 -7.726 7.313 315 HG11 VAL 41 HG11 VAL 41 -12.685 -5.915 8.652 316 HG12 VAL 41 HG12 VAL 41 -13.236 -5.148 7.163 317 HG13 VAL 41 HG13 VAL 41 -11.509 -5.324 7.477 318 HG21 VAL 41 HG21 VAL 41 -13.710 -8.898 6.859 319 HG22 VAL 41 HG22 VAL 41 -14.602 -7.389 6.653 320 HG23 VAL 41 HG23 VAL 41 -14.003 -7.847 8.246 321 H GLN 42 H GLN 42 -14.442 -7.497 4.150 322 HA GLN 42 HA GLN 42 -14.822 -4.802 3.176 323 HB2 GLN 42 HB2 GLN 42 -16.912 -5.813 2.125 324 HB3 GLN 42 HB3 GLN 42 -15.361 -6.409 1.561 325 HG2 GLN 42 HG2 GLN 42 -15.604 -8.394 2.942 326 HG3 GLN 42 HG3 GLN 42 -17.145 -7.791 3.554 327 HE21 GLN 42 HE21 GLN 42 -18.941 -7.860 2.256 328 HE22 GLN 42 HE22 GLN 42 -19.000 -8.750 0.774 329 H ASN 43 H ASN 43 -15.666 -3.328 4.417 330 HA ASN 43 HA ASN 43 -17.980 -4.029 6.100 331 HB2 ASN 43 HB2 ASN 43 -15.972 -3.619 7.476 332 HB3 ASN 43 HB3 ASN 43 -15.760 -2.053 6.706 333 HD21 ASN 43 HD21 ASN 43 -16.025 -0.732 8.395 334 HD22 ASN 43 HD22 ASN 43 -17.467 -0.626 9.345 335 H GLY 44 H GLY 44 -19.129 -3.384 4.059 336 HA2 GLY 44 HA2 GLY 44 -20.506 -1.875 3.006 337 HA3 GLY 44 HA3 GLY 44 -20.072 -0.702 4.249 338 H ASN 45 H ASN 45 -18.660 0.870 3.773 339 HA ASN 45 HA ASN 45 -17.224 0.649 1.208 340 HB2 ASN 45 HB2 ASN 45 -19.044 2.698 2.131 341 HB3 ASN 45 HB3 ASN 45 -17.446 3.383 1.819 342 HD21 ASN 45 HD21 ASN 45 -18.827 0.584 0.219 343 HD22 ASN 45 HD22 ASN 45 -18.932 1.301 -1.357 344 H ASP 46 H ASP 46 -16.789 0.249 4.243 345 HA ASP 46 HA ASP 46 -14.331 1.836 4.535 346 HB2 ASP 46 HB2 ASP 46 -15.997 1.951 6.378 347 HB3 ASP 46 HB3 ASP 46 -15.870 0.211 6.585 348 H PHE 47 H PHE 47 -12.635 0.777 3.677 349 HA PHE 47 HA PHE 47 -12.489 -2.134 4.052 350 HB2 PHE 47 HB2 PHE 47 -11.089 -0.308 2.091 351 HB3 PHE 47 HB3 PHE 47 -10.755 -2.030 2.248 352 HD1 PHE 47 HD1 PHE 47 -13.211 0.474 1.158 353 HD2 PHE 47 HD2 PHE 47 -12.303 -3.681 1.444 354 HE1 PHE 47 HE1 PHE 47 -15.043 -0.034 -0.406 355 HE2 PHE 47 HE2 PHE 47 -14.133 -4.188 -0.122 356 HZ PHE 47 HZ PHE 47 -15.503 -2.366 -1.048 357 H THR 48 H THR 48 -10.976 -2.990 5.330 358 HA THR 48 HA THR 48 -9.186 -1.162 6.713 359 HB THR 48 HB THR 48 -8.719 -3.073 8.192 360 HG1 THR 48 HG1 THR 48 -9.028 -4.692 6.527 361 HG21 THR 48 HG21 THR 48 -11.679 -2.743 7.704 362 HG22 THR 48 HG22 THR 48 -10.677 -1.598 8.595 363 HG23 THR 48 HG23 THR 48 -10.906 -3.236 9.207 364 H TRP 49 H TRP 49 -7.142 -0.902 6.060 365 HA TRP 49 HA TRP 49 -5.981 -2.990 4.370 366 HB2 TRP 49 HB2 TRP 49 -5.988 -0.204 4.148 367 HB3 TRP 49 HB3 TRP 49 -4.370 -0.587 4.722 368 HD1 TRP 49 HD1 TRP 49 -2.691 -0.972 2.848 369 HE1 TRP 49 HE1 TRP 49 -2.796 -1.709 0.377 370 HE3 TRP 49 HE3 TRP 49 -7.717 -1.881 2.496 371 HZ2 TRP 49 HZ2 TRP 49 -4.758 -2.559 -1.461 372 HZ3 TRP 49 HZ3 TRP 49 -8.624 -2.653 0.345 373 HH2 TRP 49 HH2 TRP 49 -7.173 -2.984 -1.591 374 H THR 50 H THR 50 -5.185 -4.483 5.734 375 HA THR 50 HA THR 50 -3.513 -3.586 7.990 376 HB THR 50 HB THR 50 -4.413 -6.417 7.552 377 HG1 THR 50 HG1 THR 50 -6.398 -5.644 7.626 378 HG21 THR 50 HG21 THR 50 -2.809 -6.054 9.324 379 HG22 THR 50 HG22 THR 50 -4.378 -6.440 10.034 380 HG23 THR 50 HG23 THR 50 -3.809 -4.772 10.011 381 H GLN 51 H GLN 51 -1.365 -3.645 7.640 382 HA GLN 51 HA GLN 51 -0.351 -5.629 5.714 383 HB2 GLN 51 HB2 GLN 51 0.234 -2.806 6.154 384 HB3 GLN 51 HB3 GLN 51 1.683 -3.803 6.142 385 HG2 GLN 51 HG2 GLN 51 1.517 -3.282 3.933 386 HG3 GLN 51 HG3 GLN 51 0.616 -4.794 3.970 387 HE21 GLN 51 HE21 GLN 51 -0.718 -4.425 2.290 388 HE22 GLN 51 HE22 GLN 51 -1.900 -3.160 2.253 389 H HIS 52 H HIS 52 0.674 -7.265 6.591 390 HA HIS 52 HA HIS 52 1.846 -6.956 9.258 391 HB2 HIS 52 HB2 HIS 52 1.164 -9.464 7.718 392 HB3 HIS 52 HB3 HIS 52 1.844 -9.430 9.339 393 HD2 HIS 52 HD2 HIS 52 -1.471 -9.715 7.698 394 HE1 HIS 52 HE1 HIS 52 -2.225 -8.070 11.516 395 HE2 HIS 52 HE2 HIS 52 -3.213 -9.404 9.595 396 H PHE 53 H PHE 53 3.926 -6.936 9.555 397 HA PHE 53 HA PHE 53 5.666 -7.496 7.268 398 HB2 PHE 53 HB2 PHE 53 5.625 -5.265 8.636 399 HB3 PHE 53 HB3 PHE 53 6.573 -6.175 9.808 400 HD1 PHE 53 HD1 PHE 53 6.632 -6.237 6.104 401 HD2 PHE 53 HD2 PHE 53 8.699 -5.338 9.696 402 HE1 PHE 53 HE1 PHE 53 8.675 -5.777 4.806 403 HE2 PHE 53 HE2 PHE 53 10.743 -4.877 8.412 404 HZ PHE 53 HZ PHE 53 10.731 -5.094 5.967 405 HA PRO 54 HA PRO 54 6.807 -11.353 9.218 406 HB2 PRO 54 HB2 PRO 54 9.110 -11.720 7.746 407 HB3 PRO 54 HB3 PRO 54 7.491 -12.154 7.171 408 HG2 PRO 54 HG2 PRO 54 9.128 -9.744 6.568 409 HG3 PRO 54 HG3 PRO 54 8.080 -10.697 5.502 410 HD2 PRO 54 HD2 PRO 54 7.295 -8.340 6.500 411 HD3 PRO 54 HD3 PRO 54 6.149 -9.678 6.259 412 H GLY 55 H GLY 55 7.603 -11.246 11.210 413 HA2 GLY 55 HA2 GLY 55 9.090 -11.009 12.936 414 HA3 GLY 55 HA3 GLY 55 10.357 -10.921 11.723 415 H GLY 56 H GLY 56 7.833 -8.596 11.461 416 HA2 GLY 56 HA2 GLY 56 9.481 -6.605 12.863 417 HA3 GLY 56 HA3 GLY 56 8.977 -6.312 11.210 418 H ARG 57 H ARG 57 8.134 -4.354 12.355 419 HA ARG 57 HA ARG 57 5.871 -4.620 14.067 420 HB2 ARG 57 HB2 ARG 57 5.685 -2.213 13.910 421 HB3 ARG 57 HB3 ARG 57 7.370 -2.658 14.115 422 HG2 ARG 57 HG2 ARG 57 7.737 -1.225 12.444 423 HG3 ARG 57 HG3 ARG 57 7.174 -2.532 11.401 424 HD2 ARG 57 HD2 ARG 57 5.864 -0.770 10.684 425 HD3 ARG 57 HD3 ARG 57 4.814 -1.527 11.882 426 HE ARG 57 HE ARG 57 6.472 0.564 12.965 427 HH11 ARG 57 HH11 ARG 57 3.441 -0.160 11.312 428 HH12 ARG 57 HH12 ARG 57 2.631 1.352 11.895 429 HH21 ARG 57 HH21 ARG 57 5.488 2.490 13.695 430 HH22 ARG 57 HH22 ARG 57 3.781 2.838 13.208 431 H THR 58 H THR 58 3.718 -4.390 13.646 432 HA THR 58 HA THR 58 2.923 -4.855 10.890 433 HB THR 58 HB THR 58 1.975 -6.207 12.792 434 HG1 THR 58 HG1 THR 58 0.388 -6.500 11.431 435 HG21 THR 58 HG21 THR 58 0.524 -3.630 13.398 436 HG22 THR 58 HG22 THR 58 1.689 -4.446 14.445 437 HG23 THR 58 HG23 THR 58 0.135 -5.203 14.091 438 H THR 59 H THR 59 1.196 -3.611 9.918 439 HA THR 59 HA THR 59 0.833 -0.923 11.031 440 HB THR 59 HB THR 59 1.527 -1.304 8.124 441 HG1 THR 59 HG1 THR 59 3.302 -1.927 9.530 442 HG21 THR 59 HG21 THR 59 1.969 1.095 8.201 443 HG22 THR 59 HG22 THR 59 1.586 1.123 9.921 444 HG23 THR 59 HG23 THR 59 0.324 0.756 8.744 445 H THR 60 H THR 60 -1.290 -0.561 11.098 446 HA THR 60 HA THR 60 -2.954 -1.647 8.931 447 HB THR 60 HB THR 60 -3.937 -1.379 11.763 448 HG1 THR 60 HG1 THR 60 -2.156 -3.157 10.835 449 HG21 THR 60 HG21 THR 60 -5.643 -1.502 10.023 450 HG22 THR 60 HG22 THR 60 -5.641 -2.981 10.984 451 HG23 THR 60 HG23 THR 60 -4.908 -2.970 9.380 452 H ASN 61 H ASN 61 -4.160 -0.231 7.918 453 HA ASN 61 HA ASN 61 -5.111 2.161 9.302 454 HB2 ASN 61 HB2 ASN 61 -4.671 3.382 7.008 455 HB3 ASN 61 HB3 ASN 61 -3.416 3.296 8.229 456 HD21 ASN 61 HD21 ASN 61 -4.430 0.752 5.982 457 HD22 ASN 61 HD22 ASN 61 -2.907 0.646 5.165 458 H SER 62 H SER 62 -7.159 2.146 9.177 459 HA SER 62 HA SER 62 -8.485 0.779 6.973 460 HB2 SER 62 HB2 SER 62 -9.559 1.790 9.611 461 HB3 SER 62 HB3 SER 62 -10.447 0.803 8.447 462 HG SER 62 HG SER 62 -9.321 -0.257 10.324 463 H PHE 63 H PHE 63 -10.128 1.821 5.741 464 HA PHE 63 HA PHE 63 -10.436 4.696 6.120 465 HB2 PHE 63 HB2 PHE 63 -9.847 5.184 3.767 466 HB3 PHE 63 HB3 PHE 63 -8.473 4.579 4.689 467 HD1 PHE 63 HD1 PHE 63 -7.565 2.362 4.247 468 HD2 PHE 63 HD2 PHE 63 -10.821 3.900 1.979 469 HE1 PHE 63 HE1 PHE 63 -7.232 0.591 2.570 470 HE2 PHE 63 HE2 PHE 63 -10.499 2.133 0.305 471 HZ PHE 63 HZ PHE 63 -8.707 0.475 0.597 472 H THR 64 H THR 64 -12.208 5.592 5.125 473 HA THR 64 HA THR 64 -14.124 3.674 3.988 474 HB THR 64 HB THR 64 -14.598 6.176 5.617 475 HG1 THR 64 HG1 THR 64 -14.273 3.683 6.344 476 HG21 THR 64 HG21 THR 64 -16.233 6.104 3.824 477 HG22 THR 64 HG22 THR 64 -17.003 5.713 5.360 478 HG23 THR 64 HG23 THR 64 -16.619 4.424 4.211 479 H ILE 65 H ILE 65 -14.760 4.026 1.946 480 HA ILE 65 HA ILE 65 -13.610 5.927 0.285 481 HB ILE 65 HB ILE 65 -16.287 4.583 -0.124 482 HG12 ILE 65 HG12 ILE 65 -14.508 2.940 0.267 483 HG13 ILE 65 HG13 ILE 65 -14.995 2.922 -1.426 484 HG21 ILE 65 HG21 ILE 65 -14.395 5.673 -2.191 485 HG22 ILE 65 HG22 ILE 65 -15.784 6.561 -1.570 486 HG23 ILE 65 HG23 ILE 65 -16.027 5.049 -2.448 487 HD11 ILE 65 HD11 ILE 65 -12.545 4.233 -0.283 488 HD12 ILE 65 HD12 ILE 65 -13.033 4.292 -1.973 489 HD13 ILE 65 HD13 ILE 65 -12.590 2.749 -1.238 490 H ASP 66 H ASP 66 -13.883 7.997 0.006 491 HA ASP 66 HA ASP 66 -14.783 10.067 -0.162 492 HB2 ASP 66 HB2 ASP 66 -16.926 8.658 -0.797 493 HB3 ASP 66 HB3 ASP 66 -17.490 9.204 0.776 494 H LYS 67 H LYS 67 -13.811 8.685 2.293 495 HA LYS 67 HA LYS 67 -14.625 10.761 4.187 496 HB2 LYS 67 HB2 LYS 67 -15.933 8.920 4.924 497 HB3 LYS 67 HB3 LYS 67 -14.612 7.794 4.671 498 HG2 LYS 67 HG2 LYS 67 -14.958 8.165 7.029 499 HG3 LYS 67 HG3 LYS 67 -13.393 8.812 6.533 500 HD2 LYS 67 HD2 LYS 67 -14.542 11.066 6.331 501 HD3 LYS 67 HD3 LYS 67 -15.917 10.333 7.158 502 HE2 LYS 67 HE2 LYS 67 -14.644 9.926 9.111 503 HE3 LYS 67 HE3 LYS 67 -13.128 10.262 8.277 504 HZ1 LYS 67 HZ1 LYS 67 -14.556 12.017 9.785 505 HZ2 LYS 67 HZ2 LYS 67 -14.926 12.481 8.201 506 HZ3 LYS 67 HZ3 LYS 67 -13.309 12.415 8.707 507 H GLU 68 H GLU 68 -12.973 11.519 5.456 508 HA GLU 68 HA GLU 68 -10.292 10.959 4.685 509 HB2 GLU 68 HB2 GLU 68 -10.370 13.121 5.399 510 HB3 GLU 68 HB3 GLU 68 -11.687 12.814 6.517 511 HG2 GLU 68 HG2 GLU 68 -9.081 11.679 7.268 512 HG3 GLU 68 HG3 GLU 68 -9.187 13.440 7.267 513 H ALA 69 H ALA 69 -8.804 9.624 5.629 514 HA ALA 69 HA ALA 69 -9.701 8.150 8.018 515 HB1 ALA 69 HB1 ALA 69 -9.029 6.101 7.122 516 HB2 ALA 69 HB2 ALA 69 -8.119 6.866 5.821 517 HB3 ALA 69 HB3 ALA 69 -9.882 6.907 5.806 518 H ASP 70 H ASP 70 -8.112 7.320 9.378 519 HA ASP 70 HA ASP 70 -5.672 8.887 9.497 520 HB2 ASP 70 HB2 ASP 70 -7.220 7.158 11.363 521 HB3 ASP 70 HB3 ASP 70 -5.484 7.275 11.637 522 H MET 71 H MET 71 -3.845 8.170 8.584 523 HA MET 71 HA MET 71 -3.507 5.263 8.314 524 HB2 MET 71 HB2 MET 71 -2.478 7.341 6.404 525 HB3 MET 71 HB3 MET 71 -2.402 5.593 6.213 526 HG2 MET 71 HG2 MET 71 -4.572 5.424 5.611 527 HG3 MET 71 HG3 MET 71 -5.071 6.805 6.582 528 HE1 MET 71 HE1 MET 71 -6.260 8.212 3.305 529 HE2 MET 71 HE2 MET 71 -6.475 8.200 5.058 530 HE3 MET 71 HE3 MET 71 -6.528 6.687 4.156 531 H GLU 72 H GLU 72 -1.201 4.650 7.935 532 HA GLU 72 HA GLU 72 0.859 6.389 8.961 533 HB2 GLU 72 HB2 GLU 72 0.201 5.616 11.103 534 HB3 GLU 72 HB3 GLU 72 -0.186 4.009 10.507 535 HG2 GLU 72 HG2 GLU 72 2.273 3.688 10.093 536 HG3 GLU 72 HG3 GLU 72 2.546 5.191 10.968 537 H THR 73 H THR 73 2.881 5.687 8.226 538 HA THR 73 HA THR 73 2.780 3.436 6.350 539 HB THR 73 HB THR 73 4.749 4.292 5.318 540 HG1 THR 73 HG1 THR 73 6.104 5.704 6.260 541 HG21 THR 73 HG21 THR 73 3.871 6.151 4.355 542 HG22 THR 73 HG22 THR 73 3.523 6.913 5.902 543 HG23 THR 73 HG23 THR 73 2.448 5.666 5.275 544 H MET 74 H MET 74 4.911 2.187 6.210 545 HA MET 74 HA MET 74 5.395 1.018 8.772 546 HB2 MET 74 HB2 MET 74 6.458 0.540 6.006 547 HB3 MET 74 HB3 MET 74 7.214 -0.242 7.389 548 HG2 MET 74 HG2 MET 74 5.069 -1.261 7.968 549 HG3 MET 74 HG3 MET 74 4.332 -0.476 6.575 550 HE1 MET 74 HE1 MET 74 4.576 -4.359 5.702 551 HE2 MET 74 HE2 MET 74 3.484 -3.047 6.141 552 HE3 MET 74 HE3 MET 74 4.536 -3.764 7.359 553 H GLY 75 H GLY 75 6.689 3.641 7.084 554 HA2 GLY 75 HA2 GLY 75 9.344 3.521 8.201 555 HA3 GLY 75 HA3 GLY 75 8.643 4.863 7.306 556 H GLY 76 H GLY 76 6.275 4.635 9.209 557 HA2 GLY 76 HA2 GLY 76 5.896 5.120 11.531 558 HA3 GLY 76 HA3 GLY 76 7.509 5.810 11.610 559 H ARG 77 H ARG 77 5.045 6.419 9.151 560 HA ARG 77 HA ARG 77 5.166 9.257 9.882 561 HB2 ARG 77 HB2 ARG 77 4.020 8.093 7.345 562 HB3 ARG 77 HB3 ARG 77 4.470 9.762 7.656 563 HG2 ARG 77 HG2 ARG 77 6.801 9.107 7.749 564 HG3 ARG 77 HG3 ARG 77 6.348 7.431 7.453 565 HD2 ARG 77 HD2 ARG 77 6.740 7.998 5.319 566 HD3 ARG 77 HD3 ARG 77 5.099 8.607 5.399 567 HE ARG 77 HE ARG 77 6.072 10.820 5.829 568 HH11 ARG 77 HH11 ARG 77 8.108 8.325 4.408 569 HH12 ARG 77 HH12 ARG 77 9.180 9.518 3.586 570 HH21 ARG 77 HH21 ARG 77 7.396 12.359 4.795 571 HH22 ARG 77 HH22 ARG 77 8.782 11.778 3.795 572 H LYS 78 H LYS 78 3.466 10.215 10.780 573 HA LYS 78 HA LYS 78 0.913 8.768 10.891 574 HB2 LYS 78 HB2 LYS 78 1.734 11.192 12.496 575 HB3 LYS 78 HB3 LYS 78 0.372 10.126 12.804 576 HG2 LYS 78 HG2 LYS 78 3.232 9.222 12.925 577 HG3 LYS 78 HG3 LYS 78 2.355 9.854 14.318 578 HD2 LYS 78 HD2 LYS 78 0.633 8.075 13.923 579 HD3 LYS 78 HD3 LYS 78 1.715 7.389 12.707 580 HE2 LYS 78 HE2 LYS 78 3.433 7.045 14.370 581 HE3 LYS 78 HE3 LYS 78 2.453 7.848 15.597 582 HZ1 LYS 78 HZ1 LYS 78 2.169 5.567 15.949 583 HZ2 LYS 78 HZ2 LYS 78 1.977 5.226 14.300 584 HZ3 LYS 78 HZ3 LYS 78 0.761 6.048 15.151 585 H PHE 79 H PHE 79 -0.710 9.447 9.600 586 HA PHE 79 HA PHE 79 -1.112 12.256 9.071 587 HB2 PHE 79 HB2 PHE 79 -0.808 12.107 6.629 588 HB3 PHE 79 HB3 PHE 79 0.687 11.716 7.478 589 HD1 PHE 79 HD1 PHE 79 1.530 9.465 7.566 590 HD2 PHE 79 HD2 PHE 79 -1.970 10.423 5.352 591 HE1 PHE 79 HE1 PHE 79 1.697 7.321 6.394 592 HE2 PHE 79 HE2 PHE 79 -1.817 8.273 4.170 593 HZ PHE 79 HZ PHE 79 0.016 6.713 4.687 594 H LYS 80 H LYS 80 -2.872 12.564 7.403 595 HA LYS 80 HA LYS 80 -4.805 10.373 7.371 596 HB2 LYS 80 HB2 LYS 80 -5.341 13.162 8.401 597 HB3 LYS 80 HB3 LYS 80 -6.603 12.010 7.998 598 HG2 LYS 80 HG2 LYS 80 -6.369 10.927 9.925 599 HG3 LYS 80 HG3 LYS 80 -4.609 10.908 9.799 600 HD2 LYS 80 HD2 LYS 80 -5.089 12.171 11.727 601 HD3 LYS 80 HD3 LYS 80 -4.682 13.351 10.476 602 HE2 LYS 80 HE2 LYS 80 -6.643 14.050 11.762 603 HE3 LYS 80 HE3 LYS 80 -7.062 13.754 10.077 604 HZ1 LYS 80 HZ1 LYS 80 -7.396 11.380 11.582 605 HZ2 LYS 80 HZ2 LYS 80 -8.557 12.262 10.709 606 HZ3 LYS 80 HZ3 LYS 80 -8.238 12.648 12.326 607 H ALA 81 H ALA 81 -6.030 10.310 5.566 608 HA ALA 81 HA ALA 81 -6.001 12.569 3.725 609 HB1 ALA 81 HB1 ALA 81 -4.033 11.436 3.023 610 HB2 ALA 81 HB2 ALA 81 -5.296 11.057 1.851 611 HB3 ALA 81 HB3 ALA 81 -4.838 9.870 3.071 612 H THR 82 H THR 82 -7.456 12.215 1.871 613 HA THR 82 HA THR 82 -9.790 10.666 2.720 614 HB THR 82 HB THR 82 -9.897 12.380 0.289 615 HG1 THR 82 HG1 THR 82 -10.415 13.976 2.332 616 HG21 THR 82 HG21 THR 82 -11.755 11.988 2.649 617 HG22 THR 82 HG22 THR 82 -11.889 11.177 1.085 618 HG23 THR 82 HG23 THR 82 -12.118 12.923 1.195 619 H VAL 83 H VAL 83 -10.638 9.015 1.528 620 HA VAL 83 HA VAL 83 -9.114 8.219 -0.863 621 HB VAL 83 HB VAL 83 -10.376 6.377 1.181 622 HG11 VAL 83 HG11 VAL 83 -9.262 4.605 -0.045 623 HG12 VAL 83 HG12 VAL 83 -8.613 5.783 -1.186 624 HG13 VAL 83 HG13 VAL 83 -10.352 5.498 -1.103 625 HG21 VAL 83 HG21 VAL 83 -7.451 6.883 0.664 626 HG22 VAL 83 HG22 VAL 83 -8.149 5.820 1.886 627 HG23 VAL 83 HG23 VAL 83 -8.358 7.568 2.013 628 H LYS 84 H LYS 84 -10.301 7.565 -2.615 629 HA LYS 84 HA LYS 84 -13.206 7.330 -2.283 630 HB2 LYS 84 HB2 LYS 84 -13.528 8.632 -4.391 631 HB3 LYS 84 HB3 LYS 84 -12.899 9.591 -3.055 632 HG2 LYS 84 HG2 LYS 84 -10.590 9.097 -4.068 633 HG3 LYS 84 HG3 LYS 84 -11.492 8.633 -5.509 634 HD2 LYS 84 HD2 LYS 84 -12.501 10.836 -5.622 635 HD3 LYS 84 HD3 LYS 84 -11.685 11.307 -4.129 636 HE2 LYS 84 HE2 LYS 84 -9.531 11.127 -5.181 637 HE3 LYS 84 HE3 LYS 84 -10.251 10.456 -6.644 638 HZ1 LYS 84 HZ1 LYS 84 -11.391 12.558 -7.000 639 HZ2 LYS 84 HZ2 LYS 84 -9.718 12.797 -6.911 640 HZ3 LYS 84 HZ3 LYS 84 -10.703 13.199 -5.596 641 H MET 85 H MET 85 -14.086 6.608 -4.628 642 HA MET 85 HA MET 85 -12.278 4.505 -5.601 643 HB2 MET 85 HB2 MET 85 -14.742 4.170 -4.188 644 HB3 MET 85 HB3 MET 85 -14.963 3.605 -5.837 645 HG2 MET 85 HG2 MET 85 -13.050 2.122 -5.591 646 HG3 MET 85 HG3 MET 85 -12.798 2.706 -3.946 647 HE1 MET 85 HE1 MET 85 -13.151 0.715 -2.355 648 HE2 MET 85 HE2 MET 85 -12.735 -0.096 -3.869 649 HE3 MET 85 HE3 MET 85 -14.068 -0.700 -2.877 650 H GLU 86 H GLU 86 -12.174 4.259 -7.761 651 HA GLU 86 HA GLU 86 -14.190 5.639 -9.397 652 HB2 GLU 86 HB2 GLU 86 -12.252 6.185 -10.981 653 HB3 GLU 86 HB3 GLU 86 -12.391 7.142 -9.515 654 HG2 GLU 86 HG2 GLU 86 -10.545 6.141 -8.533 655 HG3 GLU 86 HG3 GLU 86 -10.620 4.738 -9.595 656 H GLY 87 H GLY 87 -15.248 3.956 -10.253 657 HA2 GLY 87 HA2 GLY 87 -15.666 2.144 -11.598 658 HA3 GLY 87 HA3 GLY 87 -14.091 2.437 -12.318 659 H GLY 88 H GLY 88 -14.890 1.543 -8.969 660 HA2 GLY 88 HA2 GLY 88 -14.484 -0.414 -7.804 661 HA3 GLY 88 HA3 GLY 88 -14.055 -1.191 -9.319 662 H LYS 89 H LYS 89 -12.443 1.738 -8.557 663 HA LYS 89 HA LYS 89 -10.057 0.249 -7.666 664 HB2 LYS 89 HB2 LYS 89 -10.046 2.725 -9.396 665 HB3 LYS 89 HB3 LYS 89 -8.645 1.780 -8.911 666 HG2 LYS 89 HG2 LYS 89 -9.188 0.063 -10.385 667 HG3 LYS 89 HG3 LYS 89 -10.856 0.607 -10.526 668 HD2 LYS 89 HD2 LYS 89 -9.519 1.090 -12.550 669 HD3 LYS 89 HD3 LYS 89 -10.187 2.535 -11.797 670 HE2 LYS 89 HE2 LYS 89 -8.118 3.377 -11.891 671 HE3 LYS 89 HE3 LYS 89 -7.706 2.255 -10.593 672 HZ1 LYS 89 HZ1 LYS 89 -7.527 1.539 -13.464 673 HZ2 LYS 89 HZ2 LYS 89 -6.887 0.690 -12.143 674 HZ3 LYS 89 HZ3 LYS 89 -6.235 2.187 -12.592 675 H ILE 90 H ILE 90 -9.266 0.918 -5.786 676 HA ILE 90 HA ILE 90 -10.460 3.199 -4.479 677 HB ILE 90 HB ILE 90 -8.161 1.568 -3.403 678 HG12 ILE 90 HG12 ILE 90 -11.043 0.840 -3.705 679 HG13 ILE 90 HG13 ILE 90 -9.623 -0.185 -3.815 680 HG21 ILE 90 HG21 ILE 90 -9.145 2.194 -1.252 681 HG22 ILE 90 HG22 ILE 90 -10.401 3.097 -2.099 682 HG23 ILE 90 HG23 ILE 90 -8.716 3.605 -2.218 683 HD11 ILE 90 HD11 ILE 90 -9.395 -0.014 -1.332 684 HD12 ILE 90 HD12 ILE 90 -10.870 -0.812 -1.878 685 HD13 ILE 90 HD13 ILE 90 -10.933 0.856 -1.306 686 H VAL 91 H VAL 91 -9.708 5.197 -4.838 687 HA VAL 91 HA VAL 91 -6.840 5.494 -5.420 688 HB VAL 91 HB VAL 91 -8.107 6.060 -7.380 689 HG11 VAL 91 HG11 VAL 91 -10.268 6.481 -6.452 690 HG12 VAL 91 HG12 VAL 91 -9.759 7.909 -7.353 691 HG13 VAL 91 HG13 VAL 91 -9.669 7.900 -5.592 692 HG21 VAL 91 HG21 VAL 91 -6.163 7.467 -6.881 693 HG22 VAL 91 HG22 VAL 91 -7.210 8.599 -6.025 694 HG23 VAL 91 HG23 VAL 91 -7.406 8.353 -7.761 695 H ALA 92 H ALA 92 -5.660 6.895 -4.277 696 HA ALA 92 HA ALA 92 -7.035 8.480 -2.204 697 HB1 ALA 92 HB1 ALA 92 -4.228 7.449 -1.938 698 HB2 ALA 92 HB2 ALA 92 -5.621 6.464 -1.488 699 HB3 ALA 92 HB3 ALA 92 -5.330 8.000 -0.673 700 H ASP 93 H ASP 93 -6.214 10.549 -1.745 701 HA ASP 93 HA ASP 93 -4.564 11.664 -3.909 702 HB2 ASP 93 HB2 ASP 93 -6.700 12.717 -3.874 703 HB3 ASP 93 HB3 ASP 93 -6.639 12.930 -2.130 704 H PHE 94 H PHE 94 -2.599 12.318 -3.473 705 HA PHE 94 HA PHE 94 -1.921 13.285 -0.804 706 HB2 PHE 94 HB2 PHE 94 -0.603 10.971 -2.212 707 HB3 PHE 94 HB3 PHE 94 0.235 11.901 -0.979 708 HD1 PHE 94 HD1 PHE 94 -0.569 11.877 1.339 709 HD2 PHE 94 HD2 PHE 94 -2.259 9.386 -1.668 710 HE1 PHE 94 HE1 PHE 94 -1.602 10.486 3.083 711 HE2 PHE 94 HE2 PHE 94 -3.315 7.998 0.087 712 HZ PHE 94 HZ PHE 94 -2.971 8.541 2.455 713 HA PRO 95 HA PRO 95 0.445 16.236 -3.086 714 HB2 PRO 95 HB2 PRO 95 2.456 16.768 -1.309 715 HB3 PRO 95 HB3 PRO 95 0.802 17.373 -1.115 716 HG2 PRO 95 HG2 PRO 95 2.132 15.072 0.211 717 HG3 PRO 95 HG3 PRO 95 1.006 16.272 0.880 718 HD2 PRO 95 HD2 PRO 95 0.231 13.768 0.180 719 HD3 PRO 95 HD3 PRO 95 -0.849 15.171 0.097 720 H ASN 96 H ASN 96 1.515 15.548 -4.823 721 HA ASN 96 HA ASN 96 3.120 14.692 -6.181 722 HB2 ASN 96 HB2 ASN 96 4.544 16.004 -4.384 723 HB3 ASN 96 HB3 ASN 96 5.041 14.383 -3.903 724 HD21 ASN 96 HD21 ASN 96 6.831 16.246 -4.851 725 HD22 ASN 96 HD22 ASN 96 7.440 15.718 -6.381 726 H TYR 97 H TYR 97 1.364 12.976 -4.396 727 HA TYR 97 HA TYR 97 2.699 10.445 -5.039 728 HB2 TYR 97 HB2 TYR 97 3.037 11.176 -2.580 729 HB3 TYR 97 HB3 TYR 97 1.326 10.827 -2.380 730 HD1 TYR 97 HD1 TYR 97 0.577 8.415 -3.117 731 HD2 TYR 97 HD2 TYR 97 4.591 9.510 -2.219 732 HE1 TYR 97 HE1 TYR 97 1.116 6.058 -2.682 733 HE2 TYR 97 HE2 TYR 97 5.139 7.155 -1.777 734 HH TYR 97 HH TYR 97 3.000 4.577 -2.582 735 H HIS 98 H HIS 98 1.337 9.092 -6.001 736 HA HIS 98 HA HIS 98 -1.561 9.500 -5.664 737 HB2 HIS 98 HB2 HIS 98 -0.480 10.276 -7.910 738 HB3 HIS 98 HB3 HIS 98 -0.376 8.556 -8.267 739 HD1 HIS 98 HD1 HIS 98 -2.794 11.366 -7.958 740 HD2 HIS 98 HD2 HIS 98 -2.854 7.291 -8.763 741 HE1 HIS 98 HE1 HIS 98 -5.104 10.888 -8.828 742 HE2 HIS 98 HE2 HIS 98 -5.066 8.446 -9.450 743 H HIS 99 H HIS 99 -2.369 7.753 -4.684 744 HA HIS 99 HA HIS 99 -1.139 5.146 -5.298 745 HB2 HIS 99 HB2 HIS 99 -0.966 6.142 -2.913 746 HB3 HIS 99 HB3 HIS 99 -2.668 5.723 -2.774 747 HD2 HIS 99 HD2 HIS 99 -3.239 2.989 -2.650 748 HE1 HIS 99 HE1 HIS 99 0.804 1.849 -2.135 749 HE2 HIS 99 HE2 HIS 99 -1.610 1.110 -1.876 750 H THR 100 H THR 100 -2.370 3.852 -6.444 751 HA THR 100 HA THR 100 -5.294 3.920 -6.053 752 HB THR 100 HB THR 100 -5.462 3.170 -8.469 753 HG1 THR 100 HG1 THR 100 -2.975 2.853 -8.376 754 HG21 THR 100 HG21 THR 100 -6.096 5.403 -7.956 755 HG22 THR 100 HG22 THR 100 -5.054 5.490 -9.377 756 HG23 THR 100 HG23 THR 100 -4.413 5.907 -7.789 757 H ALA 101 H ALA 101 -6.200 2.014 -5.581 758 HA ALA 101 HA ALA 101 -4.550 -0.402 -5.918 759 HB1 ALA 101 HB1 ALA 101 -4.861 0.211 -3.559 760 HB2 ALA 101 HB2 ALA 101 -5.634 -1.326 -3.945 761 HB3 ALA 101 HB3 ALA 101 -6.608 0.135 -3.778 762 H GLU 102 H GLU 102 -5.494 -2.226 -6.771 763 HA GLU 102 HA GLU 102 -8.316 -2.360 -7.244 764 HB2 GLU 102 HB2 GLU 102 -8.160 -2.419 -9.713 765 HB3 GLU 102 HB3 GLU 102 -7.758 -0.841 -9.051 766 HG2 GLU 102 HG2 GLU 102 -5.310 -1.768 -9.160 767 HG3 GLU 102 HG3 GLU 102 -6.011 -2.855 -10.363 768 H ILE 103 H ILE 103 -8.799 -4.286 -8.722 769 HA ILE 103 HA ILE 103 -6.922 -6.454 -8.050 770 HB ILE 103 HB ILE 103 -9.901 -6.663 -8.529 771 HG12 ILE 103 HG12 ILE 103 -9.295 -5.435 -6.435 772 HG13 ILE 103 HG13 ILE 103 -10.178 -6.930 -6.154 773 HG21 ILE 103 HG21 ILE 103 -8.811 -8.704 -9.114 774 HG22 ILE 103 HG22 ILE 103 -9.589 -8.934 -7.549 775 HG23 ILE 103 HG23 ILE 103 -7.846 -8.676 -7.637 776 HD11 ILE 103 HD11 ILE 103 -8.350 -6.597 -4.561 777 HD12 ILE 103 HD12 ILE 103 -7.194 -6.608 -5.892 778 HD13 ILE 103 HD13 ILE 103 -8.133 -8.055 -5.526 779 H SER 104 H SER 104 -5.847 -7.194 -9.759 780 HA SER 104 HA SER 104 -7.152 -7.071 -12.399 781 HB2 SER 104 HB2 SER 104 -4.726 -7.220 -13.245 782 HB3 SER 104 HB3 SER 104 -5.225 -5.703 -12.499 783 HG SER 104 HG SER 104 -3.728 -7.794 -11.288 784 H GLY 105 H GLY 105 -8.146 -9.053 -12.481 785 HA2 GLY 105 HA2 GLY 105 -8.253 -11.299 -12.998 786 HA3 GLY 105 HA3 GLY 105 -6.498 -11.301 -13.101 787 H GLY 106 H GLY 106 -8.301 -10.316 -10.255 788 HA2 GLY 106 HA2 GLY 106 -8.690 -11.477 -8.272 789 HA3 GLY 106 HA3 GLY 106 -7.883 -12.878 -8.961 790 H LYS 107 H LYS 107 -6.075 -10.039 -9.330 791 HA LYS 107 HA LYS 107 -4.526 -10.649 -6.901 792 HB2 LYS 107 HB2 LYS 107 -3.666 -10.313 -9.714 793 HB3 LYS 107 HB3 LYS 107 -2.658 -9.543 -8.505 794 HG2 LYS 107 HG2 LYS 107 -1.979 -11.524 -7.599 795 HG3 LYS 107 HG3 LYS 107 -3.441 -12.377 -8.089 796 HD2 LYS 107 HD2 LYS 107 -2.650 -12.819 -10.183 797 HD3 LYS 107 HD3 LYS 107 -1.659 -11.357 -10.232 798 HE2 LYS 107 HE2 LYS 107 -0.141 -13.156 -10.108 799 HE3 LYS 107 HE3 LYS 107 -0.195 -12.453 -8.493 800 HZ1 LYS 107 HZ1 LYS 107 -1.459 -14.967 -9.420 801 HZ2 LYS 107 HZ2 LYS 107 -1.874 -14.233 -7.954 802 HZ3 LYS 107 HZ3 LYS 107 -0.286 -14.769 -8.208 803 H LEU 108 H LEU 108 -3.855 -8.978 -5.685 804 HA LEU 108 HA LEU 108 -5.081 -6.399 -6.168 805 HB2 LEU 108 HB2 LEU 108 -5.093 -7.514 -3.940 806 HB3 LEU 108 HB3 LEU 108 -3.352 -7.374 -3.885 807 HG LEU 108 HG LEU 108 -4.779 -5.707 -2.550 808 HD11 LEU 108 HD11 LEU 108 -3.140 -3.952 -2.844 809 HD12 LEU 108 HD12 LEU 108 -2.616 -4.675 -4.366 810 HD13 LEU 108 HD13 LEU 108 -2.363 -5.537 -2.848 811 HD21 LEU 108 HD21 LEU 108 -4.963 -4.417 -5.265 812 HD22 LEU 108 HD22 LEU 108 -5.454 -3.701 -3.729 813 HD23 LEU 108 HD23 LEU 108 -6.312 -5.104 -4.360 814 H VAL 109 H VAL 109 -4.083 -4.767 -7.092 815 HA VAL 109 HA VAL 109 -1.150 -4.714 -7.030 816 HB VAL 109 HB VAL 109 -1.651 -5.462 -9.227 817 HG11 VAL 109 HG11 VAL 109 -3.265 -4.572 -10.682 818 HG12 VAL 109 HG12 VAL 109 -3.493 -3.137 -9.686 819 HG13 VAL 109 HG13 VAL 109 -4.066 -4.704 -9.116 820 HG21 VAL 109 HG21 VAL 109 -0.944 -3.483 -10.633 821 HG22 VAL 109 HG22 VAL 109 0.101 -3.873 -9.268 822 HG23 VAL 109 HG23 VAL 109 -1.024 -2.520 -9.157 823 H GLU 110 H GLU 110 -0.414 -2.944 -6.160 824 HA GLU 110 HA GLU 110 -2.146 -0.569 -6.075 825 HB2 GLU 110 HB2 GLU 110 0.011 -1.561 -4.226 826 HB3 GLU 110 HB3 GLU 110 -0.535 0.107 -4.189 827 HG2 GLU 110 HG2 GLU 110 -2.709 -0.518 -3.519 828 HG3 GLU 110 HG3 GLU 110 -2.407 -2.217 -3.883 829 H ILE 111 H ILE 111 -1.527 1.214 -7.070 830 HA ILE 111 HA ILE 111 1.214 1.326 -8.140 831 HB ILE 111 HB ILE 111 -1.304 2.609 -9.224 832 HG12 ILE 111 HG12 ILE 111 -0.358 1.199 -11.280 833 HG13 ILE 111 HG13 ILE 111 0.313 0.217 -9.982 834 HG21 ILE 111 HG21 ILE 111 0.483 4.144 -9.563 835 HG22 ILE 111 HG22 ILE 111 0.205 3.323 -11.099 836 HG23 ILE 111 HG23 ILE 111 1.570 2.855 -10.083 837 HD11 ILE 111 HD11 ILE 111 -1.764 -0.735 -10.602 838 HD12 ILE 111 HD12 ILE 111 -2.574 0.829 -10.526 839 HD13 ILE 111 HD13 ILE 111 -2.008 0.058 -9.044 840 H SER 112 H SER 112 2.470 2.993 -7.595 841 HA SER 112 HA SER 112 1.252 5.252 -6.158 842 HB2 SER 112 HB2 SER 112 3.936 4.179 -5.333 843 HB3 SER 112 HB3 SER 112 2.801 5.168 -4.414 844 HG SER 112 HG SER 112 1.401 3.280 -4.413 845 H THR 113 H THR 113 1.562 6.914 -7.497 846 HA THR 113 HA THR 113 3.992 7.095 -9.082 847 HB THR 113 HB THR 113 2.068 9.335 -9.098 848 HG1 THR 113 HG1 THR 113 1.252 7.085 -10.558 849 HG21 THR 113 HG21 THR 113 2.328 8.820 -11.613 850 HG22 THR 113 HG22 THR 113 3.627 7.737 -11.101 851 HG23 THR 113 HG23 THR 113 3.721 9.458 -10.739 852 H SER 114 H SER 114 5.678 8.361 -8.626 853 HA SER 114 HA SER 114 5.324 10.513 -6.666 854 HB2 SER 114 HB2 SER 114 7.631 9.861 -5.768 855 HB3 SER 114 HB3 SER 114 6.290 8.802 -5.331 856 HG SER 114 HG SER 114 6.937 7.416 -7.030 857 H SER 115 H SER 115 5.615 12.231 -7.941 858 HA SER 115 HA SER 115 6.579 13.750 -9.321 859 HB2 SER 115 HB2 SER 115 9.171 12.382 -8.588 860 HB3 SER 115 HB3 SER 115 8.962 14.050 -9.131 861 HG SER 115 HG SER 115 7.371 13.656 -7.043 862 H GLY 116 H GLY 116 5.821 11.071 -10.454 863 HA2 GLY 116 HA2 GLY 116 5.778 10.945 -12.919 864 HA3 GLY 116 HA3 GLY 116 7.510 11.231 -12.873 865 H VAL 117 H VAL 117 7.935 9.427 -10.583 866 HA VAL 117 HA VAL 117 8.229 7.019 -12.112 867 HB VAL 117 HB VAL 117 8.810 7.600 -9.202 868 HG11 VAL 117 HG11 VAL 117 8.359 5.255 -9.323 869 HG12 VAL 117 HG12 VAL 117 10.112 5.454 -9.288 870 HG13 VAL 117 HG13 VAL 117 9.297 5.093 -10.808 871 HG21 VAL 117 HG21 VAL 117 10.593 7.261 -11.608 872 HG22 VAL 117 HG22 VAL 117 11.151 7.470 -9.948 873 HG23 VAL 117 HG23 VAL 117 10.260 8.766 -10.752 874 H VAL 118 H VAL 118 6.738 5.529 -12.390 875 HA VAL 118 HA VAL 118 4.461 5.390 -10.567 876 HB VAL 118 HB VAL 118 4.907 4.042 -13.235 877 HG11 VAL 118 HG11 VAL 118 2.321 4.291 -11.724 878 HG12 VAL 118 HG12 VAL 118 3.370 2.881 -11.595 879 HG13 VAL 118 HG13 VAL 118 2.661 3.314 -13.152 880 HG21 VAL 118 HG21 VAL 118 3.369 5.671 -14.120 881 HG22 VAL 118 HG22 VAL 118 4.707 6.501 -13.325 882 HG23 VAL 118 HG23 VAL 118 3.144 6.373 -12.521 883 H TYR 119 H TYR 119 4.834 4.146 -8.863 884 HA TYR 119 HA TYR 119 6.415 1.705 -9.092 885 HB2 TYR 119 HB2 TYR 119 6.882 3.022 -7.147 886 HB3 TYR 119 HB3 TYR 119 5.177 3.170 -6.761 887 HD1 TYR 119 HD1 TYR 119 7.750 0.491 -7.212 888 HD2 TYR 119 HD2 TYR 119 4.346 1.870 -5.069 889 HE1 TYR 119 HE1 TYR 119 7.916 -1.452 -5.713 890 HE2 TYR 119 HE2 TYR 119 4.501 -0.068 -3.563 891 HH TYR 119 HH TYR 119 7.216 -2.290 -3.702 892 H LYS 120 H LYS 120 5.597 -0.353 -8.802 893 HA LYS 120 HA LYS 120 2.709 -0.641 -8.406 894 HB2 LYS 120 HB2 LYS 120 4.362 -1.703 -10.675 895 HB3 LYS 120 HB3 LYS 120 2.885 -2.504 -10.177 896 HG2 LYS 120 HG2 LYS 120 1.653 -1.066 -11.312 897 HG3 LYS 120 HG3 LYS 120 2.427 0.301 -10.506 898 HD2 LYS 120 HD2 LYS 120 3.735 0.735 -12.269 899 HD3 LYS 120 HD3 LYS 120 4.137 -0.969 -12.501 900 HE2 LYS 120 HE2 LYS 120 1.790 -1.202 -13.483 901 HE3 LYS 120 HE3 LYS 120 1.767 0.559 -13.542 902 HZ1 LYS 120 HZ1 LYS 120 2.544 -0.653 -15.603 903 HZ2 LYS 120 HZ2 LYS 120 3.966 -1.013 -14.752 904 HZ3 LYS 120 HZ3 LYS 120 3.532 0.599 -15.044 905 H ARG 121 H ARG 121 2.106 -2.444 -7.290 906 HA ARG 121 HA ARG 121 4.066 -4.542 -6.793 907 HB2 ARG 121 HB2 ARG 121 3.527 -4.522 -4.345 908 HB3 ARG 121 HB3 ARG 121 4.464 -3.144 -4.894 909 HG2 ARG 121 HG2 ARG 121 2.950 -1.751 -4.078 910 HG3 ARG 121 HG3 ARG 121 1.690 -2.505 -5.056 911 HD2 ARG 121 HD2 ARG 121 1.007 -2.673 -2.787 912 HD3 ARG 121 HD3 ARG 121 1.518 -4.281 -3.298 913 HE ARG 121 HE ARG 121 3.724 -3.606 -2.173 914 HH11 ARG 121 HH11 ARG 121 0.495 -2.637 -1.106 915 HH12 ARG 121 HH12 ARG 121 1.021 -2.414 0.609 916 HH21 ARG 121 HH21 ARG 121 4.401 -3.368 0.005 917 HH22 ARG 121 HH22 ARG 121 3.194 -2.838 1.230 918 H THR 122 H THR 122 3.143 -6.425 -7.125 919 HA THR 122 HA THR 122 0.214 -6.599 -7.043 920 HB THR 122 HB THR 122 2.161 -8.485 -8.381 921 HG1 THR 122 HG1 THR 122 0.541 -6.656 -9.785 922 HG21 THR 122 HG21 THR 122 0.029 -9.001 -9.711 923 HG22 THR 122 HG22 THR 122 -0.828 -8.212 -8.389 924 HG23 THR 122 HG23 THR 122 0.148 -9.646 -8.073 925 H SER 123 H SER 123 -0.791 -7.905 -5.659 926 HA SER 123 HA SER 123 0.828 -9.838 -4.127 927 HB2 SER 123 HB2 SER 123 -1.510 -8.264 -3.027 928 HB3 SER 123 HB3 SER 123 -0.375 -9.277 -2.132 929 HG SER 123 HG SER 123 0.074 -6.766 -3.344 930 H LYS 124 H LYS 124 -0.044 -11.835 -3.880 931 HA LYS 124 HA LYS 124 -2.288 -12.489 -5.568 932 HB2 LYS 124 HB2 LYS 124 -1.822 -14.827 -4.862 933 HB3 LYS 124 HB3 LYS 124 -0.408 -14.017 -5.524 934 HG2 LYS 124 HG2 LYS 124 0.384 -13.585 -3.233 935 HG3 LYS 124 HG3 LYS 124 -1.015 -14.469 -2.618 936 HD2 LYS 124 HD2 LYS 124 -0.201 -16.503 -3.311 937 HD3 LYS 124 HD3 LYS 124 0.768 -15.797 -4.606 938 HE2 LYS 124 HE2 LYS 124 1.487 -15.086 -1.822 939 HE3 LYS 124 HE3 LYS 124 1.831 -16.728 -2.342 940 HZ1 LYS 124 HZ1 LYS 124 3.681 -15.907 -3.215 941 HZ2 LYS 124 HZ2 LYS 124 3.182 -14.304 -3.013 942 HZ3 LYS 124 HZ3 LYS 124 2.726 -15.165 -4.404 943 H LYS 125 H LYS 125 -4.175 -13.660 -4.807 944 HA LYS 125 HA LYS 125 -5.019 -12.707 -2.164 945 HB2 LYS 125 HB2 LYS 125 -6.312 -12.394 -4.478 946 HB3 LYS 125 HB3 LYS 125 -6.959 -13.967 -4.027 947 HG2 LYS 125 HG2 LYS 125 -7.031 -11.574 -2.209 948 HG3 LYS 125 HG3 LYS 125 -8.333 -11.991 -3.318 949 HD2 LYS 125 HD2 LYS 125 -7.457 -14.224 -1.656 950 HD3 LYS 125 HD3 LYS 125 -8.089 -12.864 -0.732 951 HE2 LYS 125 HE2 LYS 125 -9.479 -14.322 -2.972 952 HE3 LYS 125 HE3 LYS 125 -9.875 -14.407 -1.258 953 HZ1 LYS 125 HZ1 LYS 125 -11.398 -12.911 -2.127 954 HZ2 LYS 125 HZ2 LYS 125 -10.264 -12.155 -3.127 955 HZ3 LYS 125 HZ3 LYS 125 -10.223 -11.897 -1.453 956 H ILE 126 H ILE 126 -5.073 -14.045 -0.556 957 HA ILE 126 HA ILE 126 -5.764 -16.858 -0.977 958 HB ILE 126 HB ILE 126 -3.704 -16.554 1.072 959 HG12 ILE 126 HG12 ILE 126 -1.878 -16.603 -0.837 960 HG13 ILE 126 HG13 ILE 126 -3.084 -15.678 -1.731 961 HG21 ILE 126 HG21 ILE 126 -4.059 -18.343 -1.313 962 HG22 ILE 126 HG22 ILE 126 -4.462 -18.695 0.368 963 HG23 ILE 126 HG23 ILE 126 -2.775 -18.521 -0.118 964 HD11 ILE 126 HD11 ILE 126 -1.900 -14.920 0.928 965 HD12 ILE 126 HD12 ILE 126 -3.082 -13.987 0.010 966 HD13 ILE 126 HD13 ILE 126 -1.464 -14.242 -0.639 967 H ALA 127 H ALA 127 -6.215 -17.903 1.230 968 HA ALA 127 HA ALA 127 -7.024 -15.936 3.225 969 HB1 ALA 127 HB1 ALA 127 -9.206 -16.881 3.521 970 HB2 ALA 127 HB2 ALA 127 -8.863 -18.174 2.372 971 HB3 ALA 127 HB3 ALA 127 -9.009 -16.508 1.809 972 H11 CHO 200 H11 CHO 200 6.157 0.155 -1.455 973 H12 CHO 200 H12 CHO 200 6.765 -0.991 -0.225 974 H21 CHO 200 H21 CHO 200 4.932 -0.373 1.287 975 H22 CHO 200 H22 CHO 200 4.290 -0.930 -0.285 976 H3 CHO 200 H3 CHO 200 3.984 1.404 -1.006 977 HO3 CHO 200 HO3 CHO 200 2.313 1.935 0.557 978 H41 CHO 200 H41 CHO 200 4.973 2.090 1.800 979 H42 CHO 200 H42 CHO 200 4.367 3.248 0.587 980 H5 CHO 200 H5 CHO 200 6.200 2.604 -0.943 981 H61 CHO 200 H61 CHO 200 6.482 4.466 0.701 982 H62 CHO 200 H62 CHO 200 8.023 3.662 0.315 983 H7 CHO 200 H7 CHO 200 7.844 4.020 2.728 984 HO7 CHO 200 HO7 CHO 200 5.639 2.188 2.847 985 H8 CHO 200 H8 CHO 200 8.988 2.003 1.976 986 H9 CHO 200 H9 CHO 200 6.246 0.693 2.222 987 H111 CHO 200 H111 CHO 200 8.904 -0.550 1.462 988 H112 CHO 200 H112 CHO 200 7.305 -1.361 1.543 989 H121 CHO 200 H121 CHO 200 8.694 -1.817 3.559 990 H122 CHO 200 H122 CHO 200 7.191 -0.965 3.954 991 H14 CHO 200 H14 CHO 200 7.160 1.575 4.303 992 H151 CHO 200 H151 CHO 200 8.556 3.418 4.995 993 H152 CHO 200 H152 CHO 200 9.943 2.871 4.112 994 H161 CHO 200 H161 CHO 200 8.985 2.039 6.810 995 H162 CHO 200 H162 CHO 200 10.567 1.754 6.118 996 H17 CHO 200 H17 CHO 200 8.139 -0.038 6.067 997 H181 CHO 200 H181 CHO 200 10.612 1.445 3.332 998 H182 CHO 200 H182 CHO 200 10.313 -0.049 2.410 999 H183 CHO 200 H183 CHO 200 11.081 -0.131 4.013 1000 H191 CHO 200 H191 CHO 200 8.678 2.244 -0.509 1001 H192 CHO 200 H192 CHO 200 8.367 0.729 -1.392 1002 H193 CHO 200 H193 CHO 200 9.162 0.685 0.199 1003 H20 CHO 200 H20 CHO 200 11.030 -0.620 5.627 1004 H211 CHO 200 H211 CHO 200 9.446 -2.774 6.675 1005 H212 CHO 200 H212 CHO 200 10.348 -2.696 5.143 1006 H213 CHO 200 H213 CHO 200 8.656 -2.147 5.208 1007 H221 CHO 200 H221 CHO 200 9.277 -0.801 8.109 1008 H222 CHO 200 H222 CHO 200 10.616 0.351 7.839 1009 H231 CHO 200 H231 CHO 200 12.177 -1.579 7.594 1010 H232 CHO 200 H232 CHO 200 10.818 -2.674 8.004 1011 HN CHO 200 HN CHO 200 11.003 -3.429 10.026 1012 H261 CHO 200 H261 CHO 200 10.942 -1.738 12.295 1013 H262 CHO 200 H262 CHO 200 12.591 -2.365 12.049 1014 H11 CHO 201 H11 CHO 201 -6.476 4.611 0.287 1015 H12 CHO 201 H12 CHO 201 -5.043 5.376 -0.458 1016 H21 CHO 201 H21 CHO 201 -4.185 3.174 -1.120 1017 H22 CHO 201 H22 CHO 201 -5.832 3.426 -1.765 1018 H3 CHO 201 H3 CHO 201 -6.773 2.089 0.084 1019 HO3 CHO 201 HO3 CHO 201 -5.934 0.071 -0.635 1020 H41 CHO 201 H41 CHO 201 -3.851 1.692 0.876 1021 H42 CHO 201 H42 CHO 201 -5.257 0.906 1.635 1022 H5 CHO 201 H5 CHO 201 -6.152 3.124 2.269 1023 H61 CHO 201 H61 CHO 201 -4.635 1.848 3.795 1024 H62 CHO 201 H62 CHO 201 -4.544 3.611 4.036 1025 H7 CHO 201 H7 CHO 201 -2.290 2.670 4.019 1026 HO7 CHO 201 HO7 CHO 201 -1.537 1.605 2.057 1027 H8 CHO 201 H8 CHO 201 -2.580 4.872 3.039 1028 H9 CHO 201 H9 CHO 201 -2.942 3.363 0.409 1029 H111 CHO 201 H111 CHO 201 -2.954 6.353 0.899 1030 H112 CHO 201 H112 CHO 201 -3.137 5.482 -0.666 1031 H121 CHO 201 H121 CHO 201 -0.851 6.440 -0.346 1032 H122 CHO 201 H122 CHO 201 -0.849 4.680 -0.546 1033 H14 CHO 201 H14 CHO 201 -0.755 3.104 1.456 1034 H151 CHO 201 H151 CHO 201 0.029 3.025 3.798 1035 H152 CHO 201 H152 CHO 201 -0.232 4.693 4.077 1036 H161 CHO 201 H161 CHO 201 1.814 3.336 2.229 1037 H162 CHO 201 H162 CHO 201 2.110 4.691 3.291 1038 H17 CHO 201 H17 CHO 201 1.412 4.827 0.495 1039 H181 CHO 201 H181 CHO 201 -0.883 7.422 1.892 1040 H182 CHO 201 H182 CHO 201 -0.220 6.512 3.270 1041 H183 CHO 201 H183 CHO 201 -1.915 6.278 2.781 1042 H191 CHO 201 H191 CHO 201 -4.758 6.419 1.731 1043 H192 CHO 201 H192 CHO 201 -4.188 5.457 3.117 1044 H193 CHO 201 H193 CHO 201 -5.910 5.436 2.667 1045 H20 CHO 201 H20 CHO 201 1.383 6.990 2.576 1046 H211 CHO 201 H211 CHO 201 1.062 6.976 -0.387 1047 H212 CHO 201 H212 CHO 201 2.130 8.224 0.300 1048 H213 CHO 201 H213 CHO 201 0.436 8.112 0.832 1049 H221 CHO 201 H221 CHO 201 3.595 6.024 0.728 1050 H222 CHO 201 H222 CHO 201 3.505 5.761 2.493 1051 H231 CHO 201 H231 CHO 201 3.503 8.219 2.838 1052 H232 CHO 201 H232 CHO 201 3.685 8.432 1.064 1053 HN CHO 201 HN CHO 201 5.245 5.731 2.716 1054 H261 CHO 201 H261 CHO 201 7.878 7.052 2.324 1055 H262 CHO 201 H262 CHO 201 7.560 5.317 2.094 Start of MODEL 19 1 H ALA 1 H ALA 1 -14.734 -6.415 -3.846 2 HA ALA 1 HA ALA 1 -14.348 -8.736 -3.603 3 HB1 ALA 1 HB1 ALA 1 -14.588 -9.301 -5.977 4 HB2 ALA 1 HB2 ALA 1 -13.121 -9.996 -5.286 5 HB3 ALA 1 HB3 ALA 1 -13.021 -8.561 -6.306 6 H PHE 2 H PHE 2 -13.168 -6.187 -2.905 7 HA PHE 2 HA PHE 2 -10.315 -6.493 -3.086 8 HB2 PHE 2 HB2 PHE 2 -12.168 -4.519 -1.818 9 HB3 PHE 2 HB3 PHE 2 -10.502 -4.595 -1.258 10 HD1 PHE 2 HD1 PHE 2 -8.813 -4.830 -3.419 11 HD2 PHE 2 HD2 PHE 2 -12.575 -2.850 -3.293 12 HE1 PHE 2 HE1 PHE 2 -8.126 -3.399 -5.297 13 HE2 PHE 2 HE2 PHE 2 -11.895 -1.425 -5.168 14 HZ PHE 2 HZ PHE 2 -9.672 -1.693 -6.173 15 H THR 3 H THR 3 -12.815 -7.521 -0.984 16 HA THR 3 HA THR 3 -11.472 -7.725 1.452 17 HB THR 3 HB THR 3 -13.420 -9.843 0.701 18 HG1 THR 3 HG1 THR 3 -15.029 -8.452 0.386 19 HG21 THR 3 HG21 THR 3 -14.182 -9.512 2.937 20 HG22 THR 3 HG22 THR 3 -13.306 -7.986 3.069 21 HG23 THR 3 HG23 THR 3 -12.411 -9.509 2.989 22 H GLY 4 H GLY 4 -10.221 -9.274 2.390 23 HA2 GLY 4 HA2 GLY 4 -9.638 -11.736 2.237 24 HA3 GLY 4 HA3 GLY 4 -9.267 -11.365 0.567 25 H LYS 5 H LYS 5 -7.368 -12.493 2.131 26 HA LYS 5 HA LYS 5 -5.589 -10.325 2.949 27 HB2 LYS 5 HB2 LYS 5 -4.547 -11.808 4.313 28 HB3 LYS 5 HB3 LYS 5 -6.002 -12.773 4.076 29 HG2 LYS 5 HG2 LYS 5 -4.857 -13.867 2.144 30 HG3 LYS 5 HG3 LYS 5 -3.385 -13.025 2.617 31 HD2 LYS 5 HD2 LYS 5 -4.836 -14.645 4.654 32 HD3 LYS 5 HD3 LYS 5 -3.872 -15.471 3.431 33 HE2 LYS 5 HE2 LYS 5 -2.161 -13.520 4.219 34 HE3 LYS 5 HE3 LYS 5 -3.035 -13.836 5.714 35 HZ1 LYS 5 HZ1 LYS 5 -2.473 -16.313 4.717 36 HZ2 LYS 5 HZ2 LYS 5 -1.664 -15.539 5.979 37 HZ3 LYS 5 HZ3 LYS 5 -1.066 -15.429 4.396 38 H TYR 6 H TYR 6 -3.647 -9.919 1.921 39 HA TYR 6 HA TYR 6 -3.229 -11.355 -0.611 40 HB2 TYR 6 HB2 TYR 6 -2.915 -8.386 -0.139 41 HB3 TYR 6 HB3 TYR 6 -2.493 -9.233 -1.623 42 HD1 TYR 6 HD1 TYR 6 -4.308 -10.322 -2.961 43 HD2 TYR 6 HD2 TYR 6 -5.149 -7.718 0.291 44 HE1 TYR 6 HE1 TYR 6 -6.603 -10.042 -3.787 45 HE2 TYR 6 HE2 TYR 6 -7.447 -7.430 -0.529 46 HH TYR 6 HH TYR 6 -8.938 -8.003 -2.062 47 H GLU 7 H GLU 7 -1.191 -11.910 -1.090 48 HA GLU 7 HA GLU 7 0.913 -10.991 0.744 49 HB2 GLU 7 HB2 GLU 7 0.268 -13.772 -0.161 50 HB3 GLU 7 HB3 GLU 7 1.909 -13.343 0.321 51 HG2 GLU 7 HG2 GLU 7 1.051 -12.613 2.505 52 HG3 GLU 7 HG3 GLU 7 -0.567 -13.129 2.019 53 H PHE 8 H PHE 8 2.923 -10.719 -0.107 54 HA PHE 8 HA PHE 8 3.235 -9.599 -2.558 55 HB2 PHE 8 HB2 PHE 8 4.910 -9.339 -0.869 56 HB3 PHE 8 HB3 PHE 8 5.254 -11.063 -0.854 57 HD1 PHE 8 HD1 PHE 8 5.186 -8.275 -3.348 58 HD2 PHE 8 HD2 PHE 8 7.200 -11.714 -1.839 59 HE1 PHE 8 HE1 PHE 8 6.986 -7.944 -4.989 60 HE2 PHE 8 HE2 PHE 8 9.000 -11.381 -3.479 61 HZ PHE 8 HZ PHE 8 8.895 -9.495 -5.059 62 H GLU 9 H GLU 9 3.395 -10.215 -4.571 63 HA GLU 9 HA GLU 9 4.017 -13.020 -5.189 64 HB2 GLU 9 HB2 GLU 9 1.611 -12.596 -5.513 65 HB3 GLU 9 HB3 GLU 9 1.993 -11.248 -6.575 66 HG2 GLU 9 HG2 GLU 9 1.757 -12.739 -8.216 67 HG3 GLU 9 HG3 GLU 9 3.380 -13.254 -7.758 68 H SER 10 H SER 10 3.880 -9.691 -6.397 69 HA SER 10 HA SER 10 6.492 -9.979 -7.589 70 HB2 SER 10 HB2 SER 10 4.037 -9.498 -9.296 71 HB3 SER 10 HB3 SER 10 5.689 -9.237 -9.849 72 HG SER 10 HG SER 10 5.285 -11.707 -8.706 73 H ASP 11 H ASP 11 7.192 -7.849 -8.596 74 HA ASP 11 HA ASP 11 5.759 -5.510 -7.668 75 HB2 ASP 11 HB2 ASP 11 7.547 -4.598 -6.366 76 HB3 ASP 11 HB3 ASP 11 7.281 -6.227 -5.764 77 H GLU 12 H GLU 12 6.806 -3.505 -8.512 78 HA GLU 12 HA GLU 12 8.712 -3.886 -10.657 79 HB2 GLU 12 HB2 GLU 12 6.754 -4.383 -11.883 80 HB3 GLU 12 HB3 GLU 12 5.863 -3.103 -11.095 81 HG2 GLU 12 HG2 GLU 12 6.838 -1.443 -12.389 82 HG3 GLU 12 HG3 GLU 12 8.199 -2.470 -12.842 83 H ASN 13 H ASN 13 9.906 -2.173 -10.986 84 HA ASN 13 HA ASN 13 10.922 -0.169 -10.683 85 HB2 ASN 13 HB2 ASN 13 8.037 0.567 -10.823 86 HB3 ASN 13 HB3 ASN 13 9.176 1.796 -10.284 87 HD21 ASN 13 HD21 ASN 13 7.567 1.678 -12.718 88 HD22 ASN 13 HD22 ASN 13 8.690 1.765 -14.036 89 H TYR 14 H TYR 14 10.457 -1.830 -8.321 90 HA TYR 14 HA TYR 14 9.668 -0.250 -6.130 91 HB2 TYR 14 HB2 TYR 14 10.019 -2.809 -6.247 92 HB3 TYR 14 HB3 TYR 14 11.710 -2.448 -5.907 93 HD1 TYR 14 HD1 TYR 14 12.173 -0.998 -3.798 94 HD2 TYR 14 HD2 TYR 14 8.511 -3.046 -4.482 95 HE1 TYR 14 HE1 TYR 14 11.658 -0.851 -1.402 96 HE2 TYR 14 HE2 TYR 14 7.979 -2.897 -2.088 97 HH TYR 14 HH TYR 14 9.832 -2.557 0.190 98 H ASP 15 H ASP 15 12.949 -1.120 -7.222 99 HA ASP 15 HA ASP 15 14.319 0.512 -5.403 100 HB2 ASP 15 HB2 ASP 15 15.322 -0.192 -8.150 101 HB3 ASP 15 HB3 ASP 15 16.270 0.126 -6.704 102 H ASP 16 H ASP 16 13.073 1.167 -8.615 103 HA ASP 16 HA ASP 16 14.290 3.691 -8.974 104 HB2 ASP 16 HB2 ASP 16 12.241 2.079 -10.271 105 HB3 ASP 16 HB3 ASP 16 11.904 3.805 -10.371 106 H PHE 17 H PHE 17 11.298 2.649 -7.492 107 HA PHE 17 HA PHE 17 10.159 5.218 -7.129 108 HB2 PHE 17 HB2 PHE 17 8.957 3.019 -7.096 109 HB3 PHE 17 HB3 PHE 17 9.660 2.727 -5.511 110 HD1 PHE 17 HD1 PHE 17 7.769 5.391 -7.300 111 HD2 PHE 17 HD2 PHE 17 8.373 3.223 -3.686 112 HE1 PHE 17 HE1 PHE 17 5.884 6.587 -6.273 113 HE2 PHE 17 HE2 PHE 17 6.485 4.414 -2.654 114 HZ PHE 17 HZ PHE 17 5.239 6.100 -3.949 115 H VAL 18 H VAL 18 11.823 3.003 -4.903 116 HA VAL 18 HA VAL 18 11.795 4.715 -2.685 117 HB VAL 18 HB VAL 18 13.554 3.295 -1.735 118 HG11 VAL 18 HG11 VAL 18 11.483 1.670 -3.200 119 HG12 VAL 18 HG12 VAL 18 11.174 2.603 -1.737 120 HG13 VAL 18 HG13 VAL 18 12.295 1.243 -1.694 121 HG21 VAL 18 HG21 VAL 18 14.377 1.355 -3.056 122 HG22 VAL 18 HG22 VAL 18 14.948 2.914 -3.657 123 HG23 VAL 18 HG23 VAL 18 13.639 2.074 -4.490 124 H LYS 19 H LYS 19 14.135 4.398 -5.327 125 HA LYS 19 HA LYS 19 16.045 6.175 -4.165 126 HB2 LYS 19 HB2 LYS 19 15.641 4.943 -6.851 127 HB3 LYS 19 HB3 LYS 19 16.748 6.301 -6.707 128 HG2 LYS 19 HG2 LYS 19 16.969 3.863 -4.966 129 HG3 LYS 19 HG3 LYS 19 17.751 3.980 -6.544 130 HD2 LYS 19 HD2 LYS 19 19.448 5.033 -5.574 131 HD3 LYS 19 HD3 LYS 19 18.359 6.363 -5.189 132 HE2 LYS 19 HE2 LYS 19 17.791 5.306 -3.078 133 HE3 LYS 19 HE3 LYS 19 18.813 3.925 -3.475 134 HZ1 LYS 19 HZ1 LYS 19 19.756 6.718 -3.114 135 HZ2 LYS 19 HZ2 LYS 19 20.732 5.385 -3.475 136 HZ3 LYS 19 HZ3 LYS 19 19.931 5.467 -1.989 137 H LYS 20 H LYS 20 13.127 6.596 -5.952 138 HA LYS 20 HA LYS 20 13.734 9.270 -6.833 139 HB2 LYS 20 HB2 LYS 20 12.174 7.678 -8.032 140 HB3 LYS 20 HB3 LYS 20 11.021 7.961 -6.735 141 HG2 LYS 20 HG2 LYS 20 10.404 9.395 -8.504 142 HG3 LYS 20 HG3 LYS 20 11.173 10.411 -7.282 143 HD2 LYS 20 HD2 LYS 20 13.274 10.329 -8.549 144 HD3 LYS 20 HD3 LYS 20 12.485 9.344 -9.781 145 HE2 LYS 20 HE2 LYS 20 12.043 11.286 -10.791 146 HE3 LYS 20 HE3 LYS 20 10.785 11.470 -9.571 147 HZ1 LYS 20 HZ1 LYS 20 12.185 13.436 -9.716 148 HZ2 LYS 20 HZ2 LYS 20 13.556 12.515 -9.364 149 HZ3 LYS 20 HZ3 LYS 20 12.345 12.701 -8.200 150 H ILE 21 H ILE 21 11.614 7.815 -4.374 151 HA ILE 21 HA ILE 21 10.739 10.346 -3.384 152 HB ILE 21 HB ILE 21 9.810 9.029 -1.471 153 HG12 ILE 21 HG12 ILE 21 10.801 6.636 -3.037 154 HG13 ILE 21 HG13 ILE 21 11.563 7.228 -1.565 155 HG21 ILE 21 HG21 ILE 21 9.151 8.018 -4.240 156 HG22 ILE 21 HG22 ILE 21 8.523 9.492 -3.503 157 HG23 ILE 21 HG23 ILE 21 8.105 7.919 -2.822 158 HD11 ILE 21 HD11 ILE 21 10.107 5.324 -1.134 159 HD12 ILE 21 HD12 ILE 21 8.736 6.220 -1.791 160 HD13 ILE 21 HD13 ILE 21 9.529 6.775 -0.316 161 H GLY 22 H GLY 22 13.561 8.510 -2.896 162 HA2 GLY 22 HA2 GLY 22 15.462 9.212 -1.747 163 HA3 GLY 22 HA3 GLY 22 14.498 10.449 -0.954 164 H LEU 23 H LEU 23 13.587 7.075 -1.024 165 HA LEU 23 HA LEU 23 13.225 6.919 1.761 166 HB2 LEU 23 HB2 LEU 23 12.180 5.477 -0.048 167 HB3 LEU 23 HB3 LEU 23 13.694 4.598 -0.109 168 HG LEU 23 HG LEU 23 13.357 4.107 2.365 169 HD11 LEU 23 HD11 LEU 23 10.486 4.761 1.806 170 HD12 LEU 23 HD12 LEU 23 11.575 5.905 2.586 171 HD13 LEU 23 HD13 LEU 23 11.248 4.343 3.339 172 HD21 LEU 23 HD21 LEU 23 13.024 2.242 1.108 173 HD22 LEU 23 HD22 LEU 23 11.786 2.997 0.107 174 HD23 LEU 23 HD23 LEU 23 11.393 2.457 1.739 175 HA PRO 24 HA PRO 24 17.399 6.359 3.151 176 HB2 PRO 24 HB2 PRO 24 16.834 5.155 5.546 177 HB3 PRO 24 HB3 PRO 24 16.687 6.899 5.273 178 HG2 PRO 24 HG2 PRO 24 14.573 4.809 5.269 179 HG3 PRO 24 HG3 PRO 24 14.550 6.445 5.951 180 HD2 PRO 24 HD2 PRO 24 13.369 5.876 3.612 181 HD3 PRO 24 HD3 PRO 24 14.151 7.438 3.913 182 H ALA 25 H ALA 25 18.905 4.790 2.998 183 HA ALA 25 HA ALA 25 18.370 2.343 1.787 184 HB1 ALA 25 HB1 ALA 25 20.758 3.032 3.484 185 HB2 ALA 25 HB2 ALA 25 20.564 3.459 1.783 186 HB3 ALA 25 HB3 ALA 25 20.670 1.765 2.263 187 H ASP 26 H ASP 26 18.668 3.186 5.165 188 HA ASP 26 HA ASP 26 18.880 0.670 6.310 189 HB2 ASP 26 HB2 ASP 26 17.203 2.804 7.593 190 HB3 ASP 26 HB3 ASP 26 18.310 1.667 8.353 191 H LYS 27 H LYS 27 16.023 2.442 5.246 192 HA LYS 27 HA LYS 27 14.268 0.312 6.176 193 HB2 LYS 27 HB2 LYS 27 13.585 2.889 4.767 194 HB3 LYS 27 HB3 LYS 27 12.426 1.750 5.426 195 HG2 LYS 27 HG2 LYS 27 14.443 3.328 7.008 196 HG3 LYS 27 HG3 LYS 27 12.707 3.647 6.913 197 HD2 LYS 27 HD2 LYS 27 12.243 1.477 7.932 198 HD3 LYS 27 HD3 LYS 27 13.971 1.126 7.999 199 HE2 LYS 27 HE2 LYS 27 14.260 3.116 9.457 200 HE3 LYS 27 HE3 LYS 27 12.510 3.318 9.468 201 HZ1 LYS 27 HZ1 LYS 27 12.275 1.176 10.519 202 HZ2 LYS 27 HZ2 LYS 27 13.335 2.130 11.428 203 HZ3 LYS 27 HZ3 LYS 27 13.944 0.908 10.438 204 H ILE 28 H ILE 28 15.560 1.637 3.194 205 HA ILE 28 HA ILE 28 13.906 0.412 1.327 206 HB ILE 28 HB ILE 28 16.862 1.037 1.194 207 HG12 ILE 28 HG12 ILE 28 14.461 2.316 -0.127 208 HG13 ILE 28 HG13 ILE 28 15.348 2.972 1.246 209 HG21 ILE 28 HG21 ILE 28 16.410 -0.846 -0.273 210 HG22 ILE 28 HG22 ILE 28 16.755 0.609 -1.209 211 HG23 ILE 28 HG23 ILE 28 15.089 0.043 -1.035 212 HD11 ILE 28 HD11 ILE 28 16.095 4.140 -0.666 213 HD12 ILE 28 HD12 ILE 28 16.290 2.650 -1.586 214 HD13 ILE 28 HD13 ILE 28 17.379 3.005 -0.247 215 H GLU 29 H GLU 29 16.999 -0.754 2.637 216 HA GLU 29 HA GLU 29 16.933 -3.296 1.446 217 HB2 GLU 29 HB2 GLU 29 18.277 -2.520 4.041 218 HB3 GLU 29 HB3 GLU 29 18.688 -3.894 3.023 219 HG2 GLU 29 HG2 GLU 29 18.852 -1.064 2.045 220 HG3 GLU 29 HG3 GLU 29 20.183 -1.861 2.881 221 H MET 30 H MET 30 15.667 -2.081 4.457 222 HA MET 30 HA MET 30 15.053 -4.531 5.683 223 HB2 MET 30 HB2 MET 30 15.147 -2.189 6.705 224 HB3 MET 30 HB3 MET 30 13.521 -1.973 6.075 225 HG2 MET 30 HG2 MET 30 13.571 -2.641 8.438 226 HG3 MET 30 HG3 MET 30 12.699 -3.779 7.414 227 HE1 MET 30 HE1 MET 30 12.701 -5.973 8.436 228 HE2 MET 30 HE2 MET 30 14.116 -7.021 8.301 229 HE3 MET 30 HE3 MET 30 13.485 -6.201 6.871 230 H GLY 31 H GLY 31 13.271 -2.479 3.431 231 HA2 GLY 31 HA2 GLY 31 11.117 -4.511 3.422 232 HA3 GLY 31 HA3 GLY 31 10.895 -2.822 3.002 233 H ARG 32 H ARG 32 13.615 -4.727 1.825 234 HA ARG 32 HA ARG 32 12.699 -4.200 -0.887 235 HB2 ARG 32 HB2 ARG 32 15.276 -4.563 0.380 236 HB3 ARG 32 HB3 ARG 32 15.114 -5.596 -1.034 237 HG2 ARG 32 HG2 ARG 32 14.444 -3.593 -2.348 238 HG3 ARG 32 HG3 ARG 32 14.793 -2.608 -0.926 239 HD2 ARG 32 HD2 ARG 32 17.084 -3.044 -1.030 240 HD3 ARG 32 HD3 ARG 32 16.860 -4.462 -2.052 241 HE ARG 32 HE ARG 32 16.147 -2.789 -3.819 242 HH11 ARG 32 HH11 ARG 32 18.474 -2.014 -1.266 243 HH12 ARG 32 HH12 ARG 32 19.277 -0.735 -2.262 244 HH21 ARG 32 HH21 ARG 32 17.162 -1.233 -5.092 245 HH22 ARG 32 HH22 ARG 32 18.550 -0.290 -4.397 246 H ASN 33 H ASN 33 11.271 -5.587 -1.606 247 HA ASN 33 HA ASN 33 10.348 -7.477 -2.432 248 HB2 ASN 33 HB2 ASN 33 13.153 -7.919 -2.625 249 HB3 ASN 33 HB3 ASN 33 12.394 -9.432 -2.137 250 HD21 ASN 33 HD21 ASN 33 11.264 -6.800 -4.215 251 HD22 ASN 33 HD22 ASN 33 10.972 -7.782 -5.608 252 H CYS 34 H CYS 34 10.422 -6.914 0.479 253 HA CYS 34 HA CYS 34 10.404 -9.495 1.741 254 HB2 CYS 34 HB2 CYS 34 9.444 -6.835 2.815 255 HB3 CYS 34 HB3 CYS 34 9.838 -8.270 3.755 256 HG CYS 34 HG CYS 34 11.897 -6.437 4.140 257 H LYS 35 H LYS 35 8.586 -10.604 2.510 258 HA LYS 35 HA LYS 35 6.287 -10.342 0.829 259 HB2 LYS 35 HB2 LYS 35 5.435 -12.309 2.160 260 HB3 LYS 35 HB3 LYS 35 6.948 -12.550 1.301 261 HG2 LYS 35 HG2 LYS 35 8.144 -12.085 3.451 262 HG3 LYS 35 HG3 LYS 35 6.569 -12.113 4.254 263 HD2 LYS 35 HD2 LYS 35 7.271 -14.290 4.531 264 HD3 LYS 35 HD3 LYS 35 6.325 -14.417 3.045 265 HE2 LYS 35 HE2 LYS 35 8.565 -13.980 1.847 266 HE3 LYS 35 HE3 LYS 35 9.302 -14.402 3.394 267 HZ1 LYS 35 HZ1 LYS 35 7.971 -16.500 3.275 268 HZ2 LYS 35 HZ2 LYS 35 9.209 -16.368 2.131 269 HZ3 LYS 35 HZ3 LYS 35 7.601 -16.106 1.675 270 H ILE 36 H ILE 36 5.231 -8.459 1.283 271 HA ILE 36 HA ILE 36 4.301 -7.893 3.971 272 HB ILE 36 HB ILE 36 3.405 -6.434 1.495 273 HG12 ILE 36 HG12 ILE 36 5.836 -6.529 1.354 274 HG13 ILE 36 HG13 ILE 36 5.310 -4.900 1.752 275 HG21 ILE 36 HG21 ILE 36 3.845 -5.502 4.327 276 HG22 ILE 36 HG22 ILE 36 2.287 -5.946 3.623 277 HG23 ILE 36 HG23 ILE 36 3.172 -4.555 2.999 278 HD11 ILE 36 HD11 ILE 36 7.244 -5.442 3.048 279 HD12 ILE 36 HD12 ILE 36 6.488 -6.920 3.637 280 HD13 ILE 36 HD13 ILE 36 5.845 -5.350 4.118 281 H VAL 37 H VAL 37 2.341 -8.435 4.746 282 HA VAL 37 HA VAL 37 0.443 -9.675 2.875 283 HB VAL 37 HB VAL 37 0.194 -9.787 5.873 284 HG11 VAL 37 HG11 VAL 37 -1.707 -10.420 4.319 285 HG12 VAL 37 HG12 VAL 37 -1.226 -11.631 5.508 286 HG13 VAL 37 HG13 VAL 37 -0.717 -11.794 3.833 287 HG21 VAL 37 HG21 VAL 37 1.268 -12.098 5.626 288 HG22 VAL 37 HG22 VAL 37 2.346 -10.702 5.589 289 HG23 VAL 37 HG23 VAL 37 1.894 -11.509 4.086 290 H THR 38 H THR 38 -1.516 -8.814 2.529 291 HA THR 38 HA THR 38 -2.233 -6.390 4.064 292 HB THR 38 HB THR 38 -2.888 -7.004 1.176 293 HG1 THR 38 HG1 THR 38 -0.673 -6.523 1.466 294 HG21 THR 38 HG21 THR 38 -4.550 -5.578 2.345 295 HG22 THR 38 HG22 THR 38 -3.713 -4.740 1.038 296 HG23 THR 38 HG23 THR 38 -3.257 -4.438 2.715 297 H GLU 39 H GLU 39 -3.868 -7.012 5.429 298 HA GLU 39 HA GLU 39 -5.855 -8.926 4.433 299 HB2 GLU 39 HB2 GLU 39 -5.613 -7.818 7.226 300 HB3 GLU 39 HB3 GLU 39 -6.558 -9.204 6.713 301 HG2 GLU 39 HG2 GLU 39 -4.390 -10.291 6.046 302 HG3 GLU 39 HG3 GLU 39 -3.572 -8.964 6.870 303 H VAL 40 H VAL 40 -7.603 -8.156 3.501 304 HA VAL 40 HA VAL 40 -8.580 -5.482 4.268 305 HB VAL 40 HB VAL 40 -9.049 -7.000 1.700 306 HG11 VAL 40 HG11 VAL 40 -9.796 -4.212 2.545 307 HG12 VAL 40 HG12 VAL 40 -10.883 -5.541 2.136 308 HG13 VAL 40 HG13 VAL 40 -9.881 -4.803 0.886 309 HG21 VAL 40 HG21 VAL 40 -7.567 -5.280 0.694 310 HG22 VAL 40 HG22 VAL 40 -6.734 -6.344 1.828 311 HG23 VAL 40 HG23 VAL 40 -7.186 -4.711 2.317 312 H VAL 41 H VAL 41 -10.515 -5.309 5.173 313 HA VAL 41 HA VAL 41 -12.418 -7.549 4.936 314 HB VAL 41 HB VAL 41 -11.980 -5.668 7.274 315 HG11 VAL 41 HG11 VAL 41 -13.773 -6.935 8.395 316 HG12 VAL 41 HG12 VAL 41 -14.089 -7.790 6.885 317 HG13 VAL 41 HG13 VAL 41 -14.356 -6.052 6.987 318 HG21 VAL 41 HG21 VAL 41 -11.655 -8.655 7.008 319 HG22 VAL 41 HG22 VAL 41 -11.472 -7.740 8.502 320 HG23 VAL 41 HG23 VAL 41 -10.359 -7.471 7.166 321 H GLN 42 H GLN 42 -14.459 -6.997 4.189 322 HA GLN 42 HA GLN 42 -14.780 -4.166 3.493 323 HB2 GLN 42 HB2 GLN 42 -14.754 -5.961 1.683 324 HB3 GLN 42 HB3 GLN 42 -16.338 -6.444 2.283 325 HG2 GLN 42 HG2 GLN 42 -16.105 -3.578 1.780 326 HG3 GLN 42 HG3 GLN 42 -15.862 -4.578 0.348 327 HE21 GLN 42 HE21 GLN 42 -17.571 -5.560 -0.579 328 HE22 GLN 42 HE22 GLN 42 -19.195 -5.396 -0.022 329 H ASN 43 H ASN 43 -16.134 -3.001 4.661 330 HA ASN 43 HA ASN 43 -18.657 -4.212 5.468 331 HB2 ASN 43 HB2 ASN 43 -18.588 -3.109 7.630 332 HB3 ASN 43 HB3 ASN 43 -17.234 -4.206 7.471 333 HD21 ASN 43 HD21 ASN 43 -15.135 -3.226 6.989 334 HD22 ASN 43 HD22 ASN 43 -14.803 -1.614 7.526 335 H GLY 44 H GLY 44 -19.255 -3.192 3.479 336 HA2 GLY 44 HA2 GLY 44 -20.717 -1.586 2.627 337 HA3 GLY 44 HA3 GLY 44 -20.310 -0.516 3.958 338 H ASN 45 H ASN 45 -18.991 1.120 3.562 339 HA ASN 45 HA ASN 45 -17.417 1.042 1.074 340 HB2 ASN 45 HB2 ASN 45 -19.278 3.008 2.063 341 HB3 ASN 45 HB3 ASN 45 -17.683 3.728 1.879 342 HD21 ASN 45 HD21 ASN 45 -18.848 1.058 -0.024 343 HD22 ASN 45 HD22 ASN 45 -18.960 1.918 -1.524 344 H ASP 46 H ASP 46 -16.960 0.376 4.045 345 HA ASP 46 HA ASP 46 -14.541 2.003 4.420 346 HB2 ASP 46 HB2 ASP 46 -16.092 2.168 6.296 347 HB3 ASP 46 HB3 ASP 46 -16.167 0.414 6.428 348 H PHE 47 H PHE 47 -12.802 1.003 3.647 349 HA PHE 47 HA PHE 47 -12.623 -1.922 3.900 350 HB2 PHE 47 HB2 PHE 47 -11.203 -0.023 2.021 351 HB3 PHE 47 HB3 PHE 47 -10.881 -1.749 2.120 352 HD1 PHE 47 HD1 PHE 47 -13.472 0.761 1.291 353 HD2 PHE 47 HD2 PHE 47 -12.227 -3.303 0.993 354 HE1 PHE 47 HE1 PHE 47 -15.267 0.332 -0.327 355 HE2 PHE 47 HE2 PHE 47 -14.026 -3.732 -0.630 356 HZ PHE 47 HZ PHE 47 -15.547 -1.913 -1.290 357 H THR 48 H THR 48 -10.955 -2.843 4.979 358 HA THR 48 HA THR 48 -9.186 -1.014 6.420 359 HB THR 48 HB THR 48 -8.671 -3.100 7.792 360 HG1 THR 48 HG1 THR 48 -9.674 -4.900 7.301 361 HG21 THR 48 HG21 THR 48 -10.761 -2.914 9.098 362 HG22 THR 48 HG22 THR 48 -11.480 -1.995 7.776 363 HG23 THR 48 HG23 THR 48 -10.096 -1.343 8.652 364 H TRP 49 H TRP 49 -7.013 -1.142 6.286 365 HA TRP 49 HA TRP 49 -5.897 -3.123 4.408 366 HB2 TRP 49 HB2 TRP 49 -5.891 -0.318 4.164 367 HB3 TRP 49 HB3 TRP 49 -4.267 -0.743 4.685 368 HD1 TRP 49 HD1 TRP 49 -2.651 -1.350 2.810 369 HE1 TRP 49 HE1 TRP 49 -2.857 -2.046 0.340 370 HE3 TRP 49 HE3 TRP 49 -7.723 -1.733 2.500 371 HZ2 TRP 49 HZ2 TRP 49 -4.897 -2.685 -1.494 372 HZ3 TRP 49 HZ3 TRP 49 -8.729 -2.396 0.356 373 HH2 TRP 49 HH2 TRP 49 -7.343 -2.860 -1.601 374 H THR 50 H THR 50 -5.104 -4.575 5.817 375 HA THR 50 HA THR 50 -3.465 -3.604 8.048 376 HB THR 50 HB THR 50 -4.417 -6.426 7.621 377 HG1 THR 50 HG1 THR 50 -6.299 -5.354 7.863 378 HG21 THR 50 HG21 THR 50 -3.401 -4.922 10.033 379 HG22 THR 50 HG22 THR 50 -2.606 -6.253 9.196 380 HG23 THR 50 HG23 THR 50 -4.099 -6.539 10.092 381 H GLN 51 H GLN 51 -1.402 -3.429 7.545 382 HA GLN 51 HA GLN 51 -0.245 -5.282 5.587 383 HB2 GLN 51 HB2 GLN 51 1.039 -2.800 6.718 384 HB3 GLN 51 HB3 GLN 51 1.517 -3.699 5.285 385 HG2 GLN 51 HG2 GLN 51 -0.892 -1.952 5.658 386 HG3 GLN 51 HG3 GLN 51 0.447 -1.742 4.530 387 HE21 GLN 51 HE21 GLN 51 0.562 -3.143 2.708 388 HE22 GLN 51 HE22 GLN 51 -0.846 -3.969 2.127 389 H HIS 52 H HIS 52 0.853 -6.946 6.292 390 HA HIS 52 HA HIS 52 2.070 -6.820 8.965 391 HB2 HIS 52 HB2 HIS 52 1.240 -9.192 7.294 392 HB3 HIS 52 HB3 HIS 52 2.118 -9.323 8.810 393 HD2 HIS 52 HD2 HIS 52 -1.442 -9.028 7.499 394 HE1 HIS 52 HE1 HIS 52 -1.577 -8.552 11.701 395 HE2 HIS 52 HE2 HIS 52 -2.951 -9.008 9.614 396 H PHE 53 H PHE 53 4.115 -6.596 9.089 397 HA PHE 53 HA PHE 53 5.793 -7.025 6.765 398 HB2 PHE 53 HB2 PHE 53 5.849 -5.004 8.400 399 HB3 PHE 53 HB3 PHE 53 6.739 -6.089 9.462 400 HD1 PHE 53 HD1 PHE 53 6.808 -5.625 5.796 401 HD2 PHE 53 HD2 PHE 53 8.942 -5.408 9.463 402 HE1 PHE 53 HE1 PHE 53 8.875 -5.099 4.563 403 HE2 PHE 53 HE2 PHE 53 11.013 -4.891 8.239 404 HZ PHE 53 HZ PHE 53 10.982 -4.736 5.785 405 HA PRO 54 HA PRO 54 6.926 -11.124 8.109 406 HB2 PRO 54 HB2 PRO 54 9.365 -11.196 6.787 407 HB3 PRO 54 HB3 PRO 54 7.804 -11.611 6.056 408 HG2 PRO 54 HG2 PRO 54 9.368 -9.094 5.871 409 HG3 PRO 54 HG3 PRO 54 8.390 -9.912 4.637 410 HD2 PRO 54 HD2 PRO 54 7.508 -7.732 5.924 411 HD3 PRO 54 HD3 PRO 54 6.410 -9.043 5.437 412 H GLY 55 H GLY 55 7.535 -11.332 10.163 413 HA2 GLY 55 HA2 GLY 55 8.816 -11.304 12.062 414 HA3 GLY 55 HA3 GLY 55 10.207 -11.122 11.002 415 H GLY 56 H GLY 56 7.600 -8.805 10.964 416 HA2 GLY 56 HA2 GLY 56 9.228 -6.964 12.575 417 HA3 GLY 56 HA3 GLY 56 8.695 -6.482 10.977 418 H ARG 57 H ARG 57 7.796 -4.714 12.310 419 HA ARG 57 HA ARG 57 5.514 -5.251 13.955 420 HB2 ARG 57 HB2 ARG 57 5.301 -2.806 14.047 421 HB3 ARG 57 HB3 ARG 57 6.934 -3.336 14.414 422 HG2 ARG 57 HG2 ARG 57 7.534 -1.727 12.981 423 HG3 ARG 57 HG3 ARG 57 7.106 -2.907 11.738 424 HD2 ARG 57 HD2 ARG 57 5.939 -0.995 11.090 425 HD3 ARG 57 HD3 ARG 57 4.729 -1.952 11.955 426 HE ARG 57 HE ARG 57 6.063 -0.163 13.715 427 HH11 ARG 57 HH11 ARG 57 3.593 -0.292 11.194 428 HH12 ARG 57 HH12 ARG 57 2.724 1.156 11.840 429 HH21 ARG 57 HH21 ARG 57 4.962 1.673 14.533 430 HH22 ARG 57 HH22 ARG 57 3.467 2.228 13.674 431 H THR 58 H THR 58 3.337 -4.807 13.498 432 HA THR 58 HA THR 58 2.701 -4.875 10.642 433 HB THR 58 HB THR 58 1.773 -6.645 12.123 434 HG1 THR 58 HG1 THR 58 0.293 -6.654 10.627 435 HG21 THR 58 HG21 THR 58 1.388 -5.464 14.161 436 HG22 THR 58 HG22 THR 58 -0.174 -6.018 13.561 437 HG23 THR 58 HG23 THR 58 0.298 -4.331 13.362 438 H THR 59 H THR 59 0.815 -3.611 9.900 439 HA THR 59 HA THR 59 0.309 -1.175 11.440 440 HB THR 59 HB THR 59 0.904 -0.896 8.520 441 HG1 THR 59 HG1 THR 59 2.679 -2.002 9.829 442 HG21 THR 59 HG21 THR 59 1.676 1.343 9.331 443 HG22 THR 59 HG22 THR 59 1.130 0.883 10.943 444 HG23 THR 59 HG23 THR 59 -0.033 1.011 9.624 445 H THR 60 H THR 60 -1.851 -1.159 11.635 446 HA THR 60 HA THR 60 -3.460 -2.104 9.371 447 HB THR 60 HB THR 60 -4.519 -1.615 12.143 448 HG1 THR 60 HG1 THR 60 -3.907 -4.226 11.527 449 HG21 THR 60 HG21 THR 60 -6.125 -3.365 11.445 450 HG22 THR 60 HG22 THR 60 -5.347 -3.421 9.866 451 HG23 THR 60 HG23 THR 60 -6.168 -1.950 10.396 452 H ASN 61 H ASN 61 -4.693 -0.746 8.251 453 HA ASN 61 HA ASN 61 -5.283 1.917 9.384 454 HB2 ASN 61 HB2 ASN 61 -4.838 1.389 6.438 455 HB3 ASN 61 HB3 ASN 61 -5.001 2.951 7.239 456 HD21 ASN 61 HD21 ASN 61 -2.893 0.230 6.654 457 HD22 ASN 61 HD22 ASN 61 -1.428 1.022 7.127 458 H SER 62 H SER 62 -7.306 2.752 8.896 459 HA SER 62 HA SER 62 -9.143 0.977 7.450 460 HB2 SER 62 HB2 SER 62 -10.879 1.523 9.149 461 HB3 SER 62 HB3 SER 62 -9.511 0.656 9.842 462 HG SER 62 HG SER 62 -10.016 3.445 9.964 463 H PHE 63 H PHE 63 -10.249 2.034 5.873 464 HA PHE 63 HA PHE 63 -10.540 4.935 6.169 465 HB2 PHE 63 HB2 PHE 63 -9.863 5.301 3.835 466 HB3 PHE 63 HB3 PHE 63 -8.555 4.618 4.795 467 HD1 PHE 63 HD1 PHE 63 -10.995 3.956 2.137 468 HD2 PHE 63 HD2 PHE 63 -7.692 2.432 4.352 469 HE1 PHE 63 HE1 PHE 63 -10.741 2.139 0.500 470 HE2 PHE 63 HE2 PHE 63 -7.430 0.612 2.717 471 HZ PHE 63 HZ PHE 63 -8.960 0.466 0.787 472 H THR 64 H THR 64 -12.260 5.863 5.151 473 HA THR 64 HA THR 64 -14.219 3.996 4.006 474 HB THR 64 HB THR 64 -14.675 6.546 5.560 475 HG1 THR 64 HG1 THR 64 -14.413 3.977 6.319 476 HG21 THR 64 HG21 THR 64 -16.569 4.782 4.033 477 HG22 THR 64 HG22 THR 64 -16.439 6.546 4.038 478 HG23 THR 64 HG23 THR 64 -17.118 5.711 5.430 479 H ILE 65 H ILE 65 -14.861 4.405 1.951 480 HA ILE 65 HA ILE 65 -13.544 6.213 0.320 481 HB ILE 65 HB ILE 65 -16.290 5.045 -0.133 482 HG12 ILE 65 HG12 ILE 65 -14.670 3.285 0.287 483 HG13 ILE 65 HG13 ILE 65 -15.049 3.321 -1.432 484 HG21 ILE 65 HG21 ILE 65 -15.812 5.374 -2.508 485 HG22 ILE 65 HG22 ILE 65 -14.280 6.151 -2.089 486 HG23 ILE 65 HG23 ILE 65 -15.806 6.905 -1.634 487 HD11 ILE 65 HD11 ILE 65 -12.962 4.636 -1.788 488 HD12 ILE 65 HD12 ILE 65 -12.711 2.990 -1.206 489 HD13 ILE 65 HD13 ILE 65 -12.560 4.351 -0.094 490 H ASP 66 H ASP 66 -13.668 8.296 -0.049 491 HA ASP 66 HA ASP 66 -14.361 10.441 -0.198 492 HB2 ASP 66 HB2 ASP 66 -16.490 9.366 -1.160 493 HB3 ASP 66 HB3 ASP 66 -17.187 9.594 0.441 494 H LYS 67 H LYS 67 -13.647 8.996 2.248 495 HA LYS 67 HA LYS 67 -14.522 11.020 4.177 496 HB2 LYS 67 HB2 LYS 67 -15.892 9.203 4.746 497 HB3 LYS 67 HB3 LYS 67 -14.611 8.038 4.440 498 HG2 LYS 67 HG2 LYS 67 -14.944 8.153 6.773 499 HG3 LYS 67 HG3 LYS 67 -13.417 8.954 6.429 500 HD2 LYS 67 HD2 LYS 67 -14.701 11.132 6.465 501 HD3 LYS 67 HD3 LYS 67 -16.066 10.213 7.114 502 HE2 LYS 67 HE2 LYS 67 -13.315 10.285 8.337 503 HE3 LYS 67 HE3 LYS 67 -14.659 11.309 8.852 504 HZ1 LYS 67 HZ1 LYS 67 -14.414 9.336 10.244 505 HZ2 LYS 67 HZ2 LYS 67 -14.650 8.338 8.903 506 HZ3 LYS 67 HZ3 LYS 67 -15.902 9.334 9.445 507 H GLU 68 H GLU 68 -12.908 11.678 5.603 508 HA GLU 68 HA GLU 68 -10.205 11.118 4.895 509 HB2 GLU 68 HB2 GLU 68 -11.277 13.235 6.038 510 HB3 GLU 68 HB3 GLU 68 -10.959 12.348 7.522 511 HG2 GLU 68 HG2 GLU 68 -8.917 13.194 7.488 512 HG3 GLU 68 HG3 GLU 68 -8.590 12.182 6.081 513 H ALA 69 H ALA 69 -8.706 9.818 5.934 514 HA ALA 69 HA ALA 69 -9.740 8.164 8.134 515 HB1 ALA 69 HB1 ALA 69 -9.884 6.926 6.026 516 HB2 ALA 69 HB2 ALA 69 -8.742 6.192 7.151 517 HB3 ALA 69 HB3 ALA 69 -8.149 7.145 5.792 518 H ASP 70 H ASP 70 -8.108 7.035 9.348 519 HA ASP 70 HA ASP 70 -5.728 8.692 9.754 520 HB2 ASP 70 HB2 ASP 70 -6.996 6.539 11.480 521 HB3 ASP 70 HB3 ASP 70 -5.519 7.403 11.889 522 H MET 71 H MET 71 -3.949 8.020 8.728 523 HA MET 71 HA MET 71 -3.635 5.124 8.335 524 HB2 MET 71 HB2 MET 71 -2.553 7.289 6.558 525 HB3 MET 71 HB3 MET 71 -2.454 5.552 6.290 526 HG2 MET 71 HG2 MET 71 -4.635 5.378 5.673 527 HG3 MET 71 HG3 MET 71 -5.128 6.784 6.618 528 HE1 MET 71 HE1 MET 71 -6.186 8.012 3.218 529 HE2 MET 71 HE2 MET 71 -6.341 8.487 4.912 530 HE3 MET 71 HE3 MET 71 -6.568 6.802 4.447 531 H GLU 72 H GLU 72 -1.410 4.427 8.047 532 HA GLU 72 HA GLU 72 0.712 6.070 9.075 533 HB2 GLU 72 HB2 GLU 72 -0.103 5.366 11.188 534 HB3 GLU 72 HB3 GLU 72 -0.397 3.729 10.628 535 HG2 GLU 72 HG2 GLU 72 2.020 3.378 10.440 536 HG3 GLU 72 HG3 GLU 72 2.298 5.009 11.045 537 H THR 73 H THR 73 2.666 5.353 8.337 538 HA THR 73 HA THR 73 2.570 3.071 6.510 539 HB THR 73 HB THR 73 4.556 3.880 5.490 540 HG1 THR 73 HG1 THR 73 5.865 5.439 6.388 541 HG21 THR 73 HG21 THR 73 2.294 5.340 5.461 542 HG22 THR 73 HG22 THR 73 3.722 5.720 4.502 543 HG23 THR 73 HG23 THR 73 3.446 6.547 6.034 544 H MET 74 H MET 74 4.554 1.674 6.455 545 HA MET 74 HA MET 74 5.057 0.662 9.075 546 HB2 MET 74 HB2 MET 74 5.969 -0.087 6.315 547 HB3 MET 74 HB3 MET 74 6.749 -0.801 7.719 548 HG2 MET 74 HG2 MET 74 4.566 -1.625 8.490 549 HG3 MET 74 HG3 MET 74 3.819 -0.959 7.041 550 HE1 MET 74 HE1 MET 74 5.680 -1.551 4.699 551 HE2 MET 74 HE2 MET 74 3.981 -2.024 4.657 552 HE3 MET 74 HE3 MET 74 5.229 -3.183 4.203 553 H GLY 75 H GLY 75 6.242 3.268 7.518 554 HA2 GLY 75 HA2 GLY 75 9.015 3.007 8.375 555 HA3 GLY 75 HA3 GLY 75 8.319 4.350 7.474 556 H GLY 76 H GLY 76 6.054 4.030 9.610 557 HA2 GLY 76 HA2 GLY 76 5.810 4.627 11.894 558 HA3 GLY 76 HA3 GLY 76 7.423 5.324 11.856 559 H ARG 77 H ARG 77 4.886 5.907 9.476 560 HA ARG 77 HA ARG 77 4.867 8.725 10.343 561 HB2 ARG 77 HB2 ARG 77 3.971 7.764 7.640 562 HB3 ARG 77 HB3 ARG 77 4.412 9.387 8.124 563 HG2 ARG 77 HG2 ARG 77 6.728 8.710 8.272 564 HG3 ARG 77 HG3 ARG 77 6.281 7.058 7.838 565 HD2 ARG 77 HD2 ARG 77 6.827 7.855 5.778 566 HD3 ARG 77 HD3 ARG 77 5.126 8.271 5.813 567 HE ARG 77 HE ARG 77 5.718 10.540 6.242 568 HH11 ARG 77 HH11 ARG 77 8.416 8.424 5.438 569 HH12 ARG 77 HH12 ARG 77 9.500 9.796 4.991 570 HH21 ARG 77 HH21 ARG 77 7.072 12.307 5.670 571 HH22 ARG 77 HH22 ARG 77 8.757 11.957 5.126 572 H LYS 78 H LYS 78 3.068 9.322 11.357 573 HA LYS 78 HA LYS 78 0.572 7.898 10.758 574 HB2 LYS 78 HB2 LYS 78 1.259 9.673 13.115 575 HB3 LYS 78 HB3 LYS 78 -0.277 8.857 12.873 576 HG2 LYS 78 HG2 LYS 78 0.704 7.385 14.290 577 HG3 LYS 78 HG3 LYS 78 1.283 6.725 12.761 578 HD2 LYS 78 HD2 LYS 78 3.343 8.115 13.040 579 HD3 LYS 78 HD3 LYS 78 2.770 8.534 14.657 580 HE2 LYS 78 HE2 LYS 78 3.618 5.853 13.599 581 HE3 LYS 78 HE3 LYS 78 4.254 6.737 14.986 582 HZ1 LYS 78 HZ1 LYS 78 1.707 5.253 14.752 583 HZ2 LYS 78 HZ2 LYS 78 1.919 6.448 15.944 584 HZ3 LYS 78 HZ3 LYS 78 2.926 5.097 15.921 585 H PHE 79 H PHE 79 -0.897 8.919 9.553 586 HA PHE 79 HA PHE 79 -1.050 11.824 9.569 587 HB2 PHE 79 HB2 PHE 79 -0.834 11.914 7.070 588 HB3 PHE 79 HB3 PHE 79 0.649 11.468 7.909 589 HD1 PHE 79 HD1 PHE 79 1.499 9.208 7.846 590 HD2 PHE 79 HD2 PHE 79 -1.961 10.331 5.641 591 HE1 PHE 79 HE1 PHE 79 1.680 7.149 6.532 592 HE2 PHE 79 HE2 PHE 79 -1.785 8.266 4.318 593 HZ PHE 79 HZ PHE 79 0.033 6.671 4.767 594 H LYS 80 H LYS 80 -2.758 12.514 7.854 595 HA LYS 80 HA LYS 80 -4.951 10.561 7.785 596 HB2 LYS 80 HB2 LYS 80 -5.099 13.467 8.619 597 HB3 LYS 80 HB3 LYS 80 -6.511 12.537 8.148 598 HG2 LYS 80 HG2 LYS 80 -6.580 12.357 10.441 599 HG3 LYS 80 HG3 LYS 80 -5.703 10.890 9.996 600 HD2 LYS 80 HD2 LYS 80 -3.579 12.182 10.360 601 HD3 LYS 80 HD3 LYS 80 -4.571 13.465 11.055 602 HE2 LYS 80 HE2 LYS 80 -4.376 10.622 12.039 603 HE3 LYS 80 HE3 LYS 80 -3.642 12.033 12.795 604 HZ1 LYS 80 HZ1 LYS 80 -6.194 12.783 12.711 605 HZ2 LYS 80 HZ2 LYS 80 -5.506 11.971 14.020 606 HZ3 LYS 80 HZ3 LYS 80 -6.393 11.101 12.861 607 H ALA 81 H ALA 81 -5.986 10.429 5.892 608 HA ALA 81 HA ALA 81 -5.684 12.562 3.938 609 HB1 ALA 81 HB1 ALA 81 -4.744 11.152 2.225 610 HB2 ALA 81 HB2 ALA 81 -4.817 9.747 3.291 611 HB3 ALA 81 HB3 ALA 81 -3.707 11.068 3.653 612 H THR 82 H THR 82 -7.096 12.192 2.028 613 HA THR 82 HA THR 82 -9.521 10.775 2.837 614 HB THR 82 HB THR 82 -9.535 12.350 0.328 615 HG1 THR 82 HG1 THR 82 -9.009 13.483 2.894 616 HG21 THR 82 HG21 THR 82 -11.686 13.106 1.273 617 HG22 THR 82 HG22 THR 82 -11.344 12.203 2.749 618 HG23 THR 82 HG23 THR 82 -11.568 11.343 1.220 619 H VAL 83 H VAL 83 -10.431 9.135 1.626 620 HA VAL 83 HA VAL 83 -8.844 8.158 -0.656 621 HB VAL 83 HB VAL 83 -10.286 6.470 1.409 622 HG11 VAL 83 HG11 VAL 83 -9.181 4.591 0.254 623 HG12 VAL 83 HG12 VAL 83 -8.599 5.723 -0.971 624 HG13 VAL 83 HG13 VAL 83 -10.330 5.449 -0.771 625 HG21 VAL 83 HG21 VAL 83 -8.224 7.508 2.278 626 HG22 VAL 83 HG22 VAL 83 -7.324 6.784 0.943 627 HG23 VAL 83 HG23 VAL 83 -8.099 5.754 2.146 628 H LYS 84 H LYS 84 -10.014 7.591 -2.456 629 HA LYS 84 HA LYS 84 -12.933 7.494 -2.203 630 HB2 LYS 84 HB2 LYS 84 -13.128 8.822 -4.302 631 HB3 LYS 84 HB3 LYS 84 -12.465 9.736 -2.958 632 HG2 LYS 84 HG2 LYS 84 -10.173 9.112 -3.929 633 HG3 LYS 84 HG3 LYS 84 -11.075 8.679 -5.380 634 HD2 LYS 84 HD2 LYS 84 -11.816 10.881 -5.710 635 HD3 LYS 84 HD3 LYS 84 -11.363 11.369 -4.076 636 HE2 LYS 84 HE2 LYS 84 -9.031 11.196 -4.606 637 HE3 LYS 84 HE3 LYS 84 -9.392 10.482 -6.180 638 HZ1 LYS 84 HZ1 LYS 84 -10.173 13.222 -5.365 639 HZ2 LYS 84 HZ2 LYS 84 -10.341 12.534 -6.901 640 HZ3 LYS 84 HZ3 LYS 84 -8.802 12.853 -6.283 641 H MET 85 H MET 85 -13.739 6.872 -4.643 642 HA MET 85 HA MET 85 -12.016 4.663 -5.530 643 HB2 MET 85 HB2 MET 85 -14.600 4.502 -4.309 644 HB3 MET 85 HB3 MET 85 -14.717 3.936 -5.964 645 HG2 MET 85 HG2 MET 85 -12.870 2.370 -5.533 646 HG3 MET 85 HG3 MET 85 -12.824 2.923 -3.856 647 HE1 MET 85 HE1 MET 85 -12.944 0.089 -3.808 648 HE2 MET 85 HE2 MET 85 -14.432 -0.404 -3.005 649 HE3 MET 85 HE3 MET 85 -13.488 0.946 -2.363 650 H GLU 86 H GLU 86 -11.863 4.363 -7.699 651 HA GLU 86 HA GLU 86 -13.507 6.132 -9.391 652 HB2 GLU 86 HB2 GLU 86 -11.433 5.986 -10.965 653 HB3 GLU 86 HB3 GLU 86 -11.405 7.093 -9.599 654 HG2 GLU 86 HG2 GLU 86 -9.839 5.890 -8.470 655 HG3 GLU 86 HG3 GLU 86 -10.345 4.358 -9.174 656 H GLY 87 H GLY 87 -14.956 4.259 -9.492 657 HA2 GLY 87 HA2 GLY 87 -15.897 2.691 -10.901 658 HA3 GLY 87 HA3 GLY 87 -14.455 2.784 -11.900 659 H GLY 88 H GLY 88 -14.947 1.823 -8.503 660 HA2 GLY 88 HA2 GLY 88 -14.733 -0.286 -7.539 661 HA3 GLY 88 HA3 GLY 88 -14.355 -0.943 -9.124 662 H LYS 89 H LYS 89 -12.473 1.738 -8.569 663 HA LYS 89 HA LYS 89 -10.252 0.077 -7.568 664 HB2 LYS 89 HB2 LYS 89 -9.889 2.497 -9.313 665 HB3 LYS 89 HB3 LYS 89 -8.740 1.205 -9.000 666 HG2 LYS 89 HG2 LYS 89 -9.803 -0.220 -10.484 667 HG3 LYS 89 HG3 LYS 89 -11.310 0.691 -10.408 668 HD2 LYS 89 HD2 LYS 89 -10.524 1.339 -12.466 669 HD3 LYS 89 HD3 LYS 89 -9.873 2.609 -11.434 670 HE2 LYS 89 HE2 LYS 89 -8.198 0.203 -11.835 671 HE3 LYS 89 HE3 LYS 89 -8.390 1.284 -13.214 672 HZ1 LYS 89 HZ1 LYS 89 -6.787 2.491 -12.314 673 HZ2 LYS 89 HZ2 LYS 89 -6.811 1.609 -10.869 674 HZ3 LYS 89 HZ3 LYS 89 -7.858 2.935 -11.076 675 H ILE 90 H ILE 90 -9.415 0.775 -5.674 676 HA ILE 90 HA ILE 90 -10.436 3.214 -4.525 677 HB ILE 90 HB ILE 90 -8.278 1.489 -3.329 678 HG12 ILE 90 HG12 ILE 90 -11.225 1.016 -3.572 679 HG13 ILE 90 HG13 ILE 90 -9.902 -0.138 -3.696 680 HG21 ILE 90 HG21 ILE 90 -8.663 3.633 -2.263 681 HG22 ILE 90 HG22 ILE 90 -9.207 2.315 -1.222 682 HG23 ILE 90 HG23 ILE 90 -10.383 3.273 -2.126 683 HD11 ILE 90 HD11 ILE 90 -11.130 -0.601 -1.712 684 HD12 ILE 90 HD12 ILE 90 -11.040 1.083 -1.193 685 HD13 ILE 90 HD13 ILE 90 -9.580 0.095 -1.238 686 H VAL 91 H VAL 91 -9.550 5.143 -4.771 687 HA VAL 91 HA VAL 91 -6.663 5.311 -5.311 688 HB VAL 91 HB VAL 91 -7.875 5.933 -7.310 689 HG11 VAL 91 HG11 VAL 91 -10.016 6.504 -6.323 690 HG12 VAL 91 HG12 VAL 91 -9.437 7.812 -7.356 691 HG13 VAL 91 HG13 VAL 91 -9.310 7.950 -5.605 692 HG21 VAL 91 HG21 VAL 91 -5.844 7.241 -6.580 693 HG22 VAL 91 HG22 VAL 91 -6.957 8.498 -6.034 694 HG23 VAL 91 HG23 VAL 91 -6.900 8.049 -7.738 695 H ALA 92 H ALA 92 -5.490 6.553 -4.006 696 HA ALA 92 HA ALA 92 -6.943 8.072 -1.950 697 HB1 ALA 92 HB1 ALA 92 -5.044 7.751 -0.524 698 HB2 ALA 92 HB2 ALA 92 -4.100 7.070 -1.846 699 HB3 ALA 92 HB3 ALA 92 -5.491 6.190 -1.212 700 H ASP 93 H ASP 93 -6.222 10.138 -1.348 701 HA ASP 93 HA ASP 93 -4.875 11.580 -3.514 702 HB2 ASP 93 HB2 ASP 93 -6.909 12.644 -3.142 703 HB3 ASP 93 HB3 ASP 93 -6.861 12.347 -1.411 704 H PHE 94 H PHE 94 -2.834 12.161 -3.274 705 HA PHE 94 HA PHE 94 -1.821 13.017 -0.683 706 HB2 PHE 94 HB2 PHE 94 -0.675 10.694 -2.239 707 HB3 PHE 94 HB3 PHE 94 0.237 11.572 -1.016 708 HD1 PHE 94 HD1 PHE 94 -0.641 11.586 1.347 709 HD2 PHE 94 HD2 PHE 94 -2.134 8.993 -1.680 710 HE1 PHE 94 HE1 PHE 94 -1.607 10.128 3.080 711 HE2 PHE 94 HE2 PHE 94 -3.114 7.541 0.053 712 HZ PHE 94 HZ PHE 94 -2.846 8.104 2.429 713 HA PRO 95 HA PRO 95 0.386 15.832 -3.291 714 HB2 PRO 95 HB2 PRO 95 2.431 16.523 -1.650 715 HB3 PRO 95 HB3 PRO 95 0.762 17.047 -1.362 716 HG2 PRO 95 HG2 PRO 95 2.276 14.838 -0.071 717 HG3 PRO 95 HG3 PRO 95 1.179 16.027 0.652 718 HD2 PRO 95 HD2 PRO 95 0.424 13.487 0.071 719 HD3 PRO 95 HD3 PRO 95 -0.697 14.864 0.061 720 H ASN 96 H ASN 96 1.445 15.096 -5.028 721 HA ASN 96 HA ASN 96 3.058 14.198 -6.366 722 HB2 ASN 96 HB2 ASN 96 4.550 15.579 -4.858 723 HB3 ASN 96 HB3 ASN 96 4.824 14.128 -3.910 724 HD21 ASN 96 HD21 ASN 96 6.911 13.734 -4.281 725 HD22 ASN 96 HD22 ASN 96 7.612 13.473 -5.842 726 H TYR 97 H TYR 97 1.249 12.587 -4.570 727 HA TYR 97 HA TYR 97 2.537 10.015 -5.088 728 HB2 TYR 97 HB2 TYR 97 2.788 10.955 -2.625 729 HB3 TYR 97 HB3 TYR 97 1.145 10.364 -2.464 730 HD1 TYR 97 HD1 TYR 97 0.787 7.864 -3.257 731 HD2 TYR 97 HD2 TYR 97 4.524 9.547 -2.134 732 HE1 TYR 97 HE1 TYR 97 1.652 5.610 -2.769 733 HE2 TYR 97 HE2 TYR 97 5.401 7.304 -1.654 734 HH TYR 97 HH TYR 97 4.798 5.137 -1.282 735 H HIS 98 H HIS 98 1.190 8.870 -6.216 736 HA HIS 98 HA HIS 98 -1.713 9.145 -5.801 737 HB2 HIS 98 HB2 HIS 98 -0.814 9.989 -8.012 738 HB3 HIS 98 HB3 HIS 98 -0.326 8.337 -8.370 739 HD1 HIS 98 HD1 HIS 98 -3.205 10.623 -8.433 740 HD2 HIS 98 HD2 HIS 98 -2.531 6.539 -8.785 741 HE1 HIS 98 HE1 HIS 98 -5.308 9.680 -9.424 742 HE2 HIS 98 HE2 HIS 98 -4.775 7.255 -9.855 743 H HIS 99 H HIS 99 -2.200 7.426 -4.544 744 HA HIS 99 HA HIS 99 -1.028 4.828 -5.267 745 HB2 HIS 99 HB2 HIS 99 -0.586 5.723 -2.952 746 HB3 HIS 99 HB3 HIS 99 -2.309 5.568 -2.634 747 HD2 HIS 99 HD2 HIS 99 -3.259 2.892 -2.510 748 HE1 HIS 99 HE1 HIS 99 0.623 1.272 -2.093 749 HE2 HIS 99 HE2 HIS 99 -1.855 0.754 -2.036 750 H THR 100 H THR 100 -2.308 3.478 -6.281 751 HA THR 100 HA THR 100 -5.195 3.548 -5.704 752 HB THR 100 HB THR 100 -5.489 2.752 -8.095 753 HG1 THR 100 HG1 THR 100 -3.576 2.272 -8.934 754 HG21 THR 100 HG21 THR 100 -5.508 4.970 -8.978 755 HG22 THR 100 HG22 THR 100 -4.308 5.504 -7.804 756 HG23 THR 100 HG23 THR 100 -5.932 5.070 -7.272 757 H ALA 101 H ALA 101 -6.288 1.585 -5.780 758 HA ALA 101 HA ALA 101 -4.642 -0.842 -5.926 759 HB1 ALA 101 HB1 ALA 101 -6.771 -0.361 -3.844 760 HB2 ALA 101 HB2 ALA 101 -5.040 -0.192 -3.553 761 HB3 ALA 101 HB3 ALA 101 -5.715 -1.764 -3.980 762 H GLU 102 H GLU 102 -5.564 -2.509 -7.015 763 HA GLU 102 HA GLU 102 -8.412 -2.575 -7.480 764 HB2 GLU 102 HB2 GLU 102 -8.202 -2.588 -9.946 765 HB3 GLU 102 HB3 GLU 102 -7.748 -1.044 -9.243 766 HG2 GLU 102 HG2 GLU 102 -5.340 -2.044 -9.325 767 HG3 GLU 102 HG3 GLU 102 -6.043 -3.116 -10.534 768 H ILE 103 H ILE 103 -8.884 -4.436 -9.072 769 HA ILE 103 HA ILE 103 -7.175 -6.693 -8.291 770 HB ILE 103 HB ILE 103 -10.087 -6.835 -9.095 771 HG12 ILE 103 HG12 ILE 103 -9.775 -5.565 -6.968 772 HG13 ILE 103 HG13 ILE 103 -10.647 -7.078 -6.753 773 HG21 ILE 103 HG21 ILE 103 -8.200 -8.833 -7.860 774 HG22 ILE 103 HG22 ILE 103 -8.901 -8.889 -9.478 775 HG23 ILE 103 HG23 ILE 103 -9.935 -9.086 -8.064 776 HD11 ILE 103 HD11 ILE 103 -9.082 -6.748 -4.951 777 HD12 ILE 103 HD12 ILE 103 -7.752 -6.579 -6.097 778 HD13 ILE 103 HD13 ILE 103 -8.585 -8.125 -5.933 779 H SER 104 H SER 104 -6.121 -7.661 -9.861 780 HA SER 104 HA SER 104 -7.211 -7.556 -12.579 781 HB2 SER 104 HB2 SER 104 -4.431 -6.826 -11.684 782 HB3 SER 104 HB3 SER 104 -4.775 -7.293 -13.349 783 HG SER 104 HG SER 104 -5.720 -5.062 -11.891 784 H GLY 105 H GLY 105 -7.779 -9.619 -12.820 785 HA2 GLY 105 HA2 GLY 105 -7.465 -11.854 -13.277 786 HA3 GLY 105 HA3 GLY 105 -5.740 -11.618 -13.040 787 H GLY 106 H GLY 106 -8.292 -10.898 -10.720 788 HA2 GLY 106 HA2 GLY 106 -8.789 -11.821 -8.664 789 HA3 GLY 106 HA3 GLY 106 -7.966 -13.282 -9.193 790 H LYS 107 H LYS 107 -6.220 -10.356 -9.393 791 HA LYS 107 HA LYS 107 -4.788 -10.967 -6.900 792 HB2 LYS 107 HB2 LYS 107 -3.754 -10.594 -9.670 793 HB3 LYS 107 HB3 LYS 107 -2.793 -9.952 -8.347 794 HG2 LYS 107 HG2 LYS 107 -2.381 -12.044 -7.454 795 HG3 LYS 107 HG3 LYS 107 -3.762 -12.777 -8.279 796 HD2 LYS 107 HD2 LYS 107 -2.567 -12.355 -10.445 797 HD3 LYS 107 HD3 LYS 107 -1.157 -11.866 -9.497 798 HE2 LYS 107 HE2 LYS 107 -0.841 -14.017 -8.648 799 HE3 LYS 107 HE3 LYS 107 -2.482 -14.519 -9.043 800 HZ1 LYS 107 HZ1 LYS 107 -1.674 -14.103 -11.459 801 HZ2 LYS 107 HZ2 LYS 107 -1.274 -15.541 -10.675 802 HZ3 LYS 107 HZ3 LYS 107 -0.132 -14.299 -10.794 803 H LEU 108 H LEU 108 -3.881 -9.221 -5.820 804 HA LEU 108 HA LEU 108 -5.211 -6.672 -6.326 805 HB2 LEU 108 HB2 LEU 108 -5.212 -7.712 -4.069 806 HB3 LEU 108 HB3 LEU 108 -3.468 -7.614 -4.034 807 HG LEU 108 HG LEU 108 -4.849 -5.883 -2.727 808 HD11 LEU 108 HD11 LEU 108 -3.126 -4.300 -2.890 809 HD12 LEU 108 HD12 LEU 108 -2.746 -4.773 -4.545 810 HD13 LEU 108 HD13 LEU 108 -2.379 -5.863 -3.210 811 HD21 LEU 108 HD21 LEU 108 -4.981 -4.621 -5.451 812 HD22 LEU 108 HD22 LEU 108 -5.505 -3.907 -3.927 813 HD23 LEU 108 HD23 LEU 108 -6.356 -5.305 -4.584 814 H VAL 109 H VAL 109 -4.212 -5.151 -7.432 815 HA VAL 109 HA VAL 109 -1.277 -5.088 -7.348 816 HB VAL 109 HB VAL 109 -1.771 -5.826 -9.540 817 HG11 VAL 109 HG11 VAL 109 -3.661 -3.541 -10.000 818 HG12 VAL 109 HG12 VAL 109 -4.203 -5.109 -9.406 819 HG13 VAL 109 HG13 VAL 109 -3.422 -4.988 -10.982 820 HG21 VAL 109 HG21 VAL 109 -1.022 -3.950 -10.960 821 HG22 VAL 109 HG22 VAL 109 -0.072 -4.105 -9.484 822 HG23 VAL 109 HG23 VAL 109 -1.300 -2.845 -9.612 823 H GLU 110 H GLU 110 -0.628 -3.407 -6.272 824 HA GLU 110 HA GLU 110 -2.288 -0.997 -6.205 825 HB2 GLU 110 HB2 GLU 110 -0.031 -1.975 -4.470 826 HB3 GLU 110 HB3 GLU 110 -0.616 -0.321 -4.384 827 HG2 GLU 110 HG2 GLU 110 -2.733 -1.003 -3.611 828 HG3 GLU 110 HG3 GLU 110 -2.419 -2.689 -4.017 829 H ILE 111 H ILE 111 -1.641 0.896 -7.020 830 HA ILE 111 HA ILE 111 1.013 0.974 -8.296 831 HB ILE 111 HB ILE 111 -1.518 2.314 -9.286 832 HG12 ILE 111 HG12 ILE 111 -0.621 0.654 -11.288 833 HG13 ILE 111 HG13 ILE 111 -0.282 -0.293 -9.844 834 HG21 ILE 111 HG21 ILE 111 0.523 3.596 -9.737 835 HG22 ILE 111 HG22 ILE 111 -0.192 2.957 -11.217 836 HG23 ILE 111 HG23 ILE 111 1.229 2.180 -10.520 837 HD11 ILE 111 HD11 ILE 111 -2.513 -0.659 -10.979 838 HD12 ILE 111 HD12 ILE 111 -2.972 0.926 -10.350 839 HD13 ILE 111 HD13 ILE 111 -2.538 -0.372 -9.240 840 H SER 112 H SER 112 2.301 2.500 -7.534 841 HA SER 112 HA SER 112 1.104 4.832 -6.187 842 HB2 SER 112 HB2 SER 112 3.764 3.691 -5.380 843 HB3 SER 112 HB3 SER 112 2.673 4.712 -4.447 844 HG SER 112 HG SER 112 1.405 2.993 -4.007 845 H THR 113 H THR 113 1.649 6.681 -7.124 846 HA THR 113 HA THR 113 4.064 6.718 -8.809 847 HB THR 113 HB THR 113 1.953 8.785 -9.130 848 HG1 THR 113 HG1 THR 113 1.425 6.146 -9.214 849 HG21 THR 113 HG21 THR 113 3.807 7.240 -10.947 850 HG22 THR 113 HG22 THR 113 3.867 8.956 -10.545 851 HG23 THR 113 HG23 THR 113 2.558 8.334 -11.548 852 H SER 114 H SER 114 5.588 8.219 -8.480 853 HA SER 114 HA SER 114 5.041 10.581 -6.887 854 HB2 SER 114 HB2 SER 114 7.165 8.585 -6.069 855 HB3 SER 114 HB3 SER 114 6.911 10.173 -5.340 856 HG SER 114 HG SER 114 4.582 8.996 -5.302 857 H SER 115 H SER 115 5.744 12.121 -8.126 858 HA SER 115 HA SER 115 6.975 13.383 -9.518 859 HB2 SER 115 HB2 SER 115 9.185 11.840 -8.174 860 HB3 SER 115 HB3 SER 115 9.485 13.175 -9.287 861 HG SER 115 HG SER 115 7.684 14.042 -7.597 862 H GLY 116 H GLY 116 5.810 11.134 -10.713 863 HA2 GLY 116 HA2 GLY 116 5.874 10.627 -13.028 864 HA3 GLY 116 HA3 GLY 116 7.604 10.906 -13.017 865 H VAL 117 H VAL 117 7.953 9.136 -10.616 866 HA VAL 117 HA VAL 117 8.247 6.710 -12.129 867 HB VAL 117 HB VAL 117 8.859 7.276 -9.225 868 HG11 VAL 117 HG11 VAL 117 10.153 5.162 -9.307 869 HG12 VAL 117 HG12 VAL 117 9.465 4.837 -10.900 870 HG13 VAL 117 HG13 VAL 117 8.416 4.910 -9.480 871 HG21 VAL 117 HG21 VAL 117 10.262 8.511 -10.771 872 HG22 VAL 117 HG22 VAL 117 10.613 7.032 -11.667 873 HG23 VAL 117 HG23 VAL 117 11.195 7.221 -10.014 874 H VAL 118 H VAL 118 6.910 5.076 -12.272 875 HA VAL 118 HA VAL 118 4.590 4.992 -10.478 876 HB VAL 118 HB VAL 118 4.949 3.611 -13.148 877 HG11 VAL 118 HG11 VAL 118 2.511 3.250 -12.987 878 HG12 VAL 118 HG12 VAL 118 2.540 3.927 -11.358 879 HG13 VAL 118 HG13 VAL 118 3.401 2.429 -11.708 880 HG21 VAL 118 HG21 VAL 118 3.509 5.292 -14.079 881 HG22 VAL 118 HG22 VAL 118 4.873 6.087 -13.289 882 HG23 VAL 118 HG23 VAL 118 3.300 6.042 -12.493 883 H TYR 119 H TYR 119 4.851 3.671 -8.843 884 HA TYR 119 HA TYR 119 6.430 1.217 -9.173 885 HB2 TYR 119 HB2 TYR 119 7.256 2.283 -7.292 886 HB3 TYR 119 HB3 TYR 119 5.690 2.940 -6.843 887 HD1 TYR 119 HD1 TYR 119 7.230 -0.463 -7.247 888 HD2 TYR 119 HD2 TYR 119 4.811 2.131 -4.906 889 HE1 TYR 119 HE1 TYR 119 6.958 -2.237 -5.566 890 HE2 TYR 119 HE2 TYR 119 4.535 0.372 -3.224 891 HH TYR 119 HH TYR 119 6.350 -2.609 -3.363 892 H LYS 120 H LYS 120 5.468 -0.744 -9.149 893 HA LYS 120 HA LYS 120 2.659 -0.879 -8.314 894 HB2 LYS 120 HB2 LYS 120 3.935 -2.172 -10.728 895 HB3 LYS 120 HB3 LYS 120 2.279 -2.411 -10.198 896 HG2 LYS 120 HG2 LYS 120 1.613 -0.317 -10.865 897 HG3 LYS 120 HG3 LYS 120 3.247 0.345 -10.741 898 HD2 LYS 120 HD2 LYS 120 2.626 0.171 -13.069 899 HD3 LYS 120 HD3 LYS 120 3.898 -0.995 -12.710 900 HE2 LYS 120 HE2 LYS 120 1.938 -2.637 -12.306 901 HE3 LYS 120 HE3 LYS 120 0.989 -1.463 -13.218 902 HZ1 LYS 120 HZ1 LYS 120 2.050 -3.341 -14.511 903 HZ2 LYS 120 HZ2 LYS 120 3.538 -2.571 -14.248 904 HZ3 LYS 120 HZ3 LYS 120 2.310 -1.779 -15.109 905 H ARG 121 H ARG 121 1.979 -2.859 -7.475 906 HA ARG 121 HA ARG 121 3.950 -4.974 -7.171 907 HB2 ARG 121 HB2 ARG 121 3.599 -5.165 -4.746 908 HB3 ARG 121 HB3 ARG 121 4.352 -3.641 -5.189 909 HG2 ARG 121 HG2 ARG 121 2.332 -2.441 -4.820 910 HG3 ARG 121 HG3 ARG 121 1.404 -3.935 -4.650 911 HD2 ARG 121 HD2 ARG 121 2.559 -4.478 -2.619 912 HD3 ARG 121 HD3 ARG 121 3.653 -3.114 -2.826 913 HE ARG 121 HE ARG 121 0.778 -2.927 -2.162 914 HH11 ARG 121 HH11 ARG 121 4.019 -1.530 -2.319 915 HH12 ARG 121 HH12 ARG 121 3.541 -0.064 -1.383 916 HH21 ARG 121 HH21 ARG 121 0.147 -1.094 -0.973 917 HH22 ARG 121 HH22 ARG 121 1.390 0.171 -0.607 918 H THR 122 H THR 122 3.083 -6.914 -7.322 919 HA THR 122 HA THR 122 0.159 -7.102 -7.430 920 HB THR 122 HB THR 122 2.121 -9.146 -8.452 921 HG1 THR 122 HG1 THR 122 1.648 -8.056 -10.542 922 HG21 THR 122 HG21 THR 122 0.186 -9.631 -9.991 923 HG22 THR 122 HG22 THR 122 -0.776 -8.536 -8.997 924 HG23 THR 122 HG23 THR 122 -0.090 -9.999 -8.287 925 H SER 123 H SER 123 -0.874 -8.134 -5.839 926 HA SER 123 HA SER 123 0.642 -10.125 -4.284 927 HB2 SER 123 HB2 SER 123 -1.506 -8.268 -3.240 928 HB3 SER 123 HB3 SER 123 -0.562 -9.418 -2.292 929 HG SER 123 HG SER 123 0.188 -6.957 -3.386 930 H LYS 124 H LYS 124 -0.353 -12.052 -3.925 931 HA LYS 124 HA LYS 124 -2.692 -12.642 -5.509 932 HB2 LYS 124 HB2 LYS 124 -2.320 -14.970 -4.685 933 HB3 LYS 124 HB3 LYS 124 -0.926 -14.265 -5.490 934 HG2 LYS 124 HG2 LYS 124 0.074 -13.773 -3.306 935 HG3 LYS 124 HG3 LYS 124 -1.337 -14.496 -2.526 936 HD2 LYS 124 HD2 LYS 124 -0.752 -16.637 -3.150 937 HD3 LYS 124 HD3 LYS 124 0.197 -16.086 -4.533 938 HE2 LYS 124 HE2 LYS 124 1.033 -15.523 -1.700 939 HE3 LYS 124 HE3 LYS 124 1.476 -17.018 -2.522 940 HZ1 LYS 124 HZ1 LYS 124 2.206 -15.181 -4.333 941 HZ2 LYS 124 HZ2 LYS 124 3.243 -15.825 -3.156 942 HZ3 LYS 124 HZ3 LYS 124 2.494 -14.334 -2.891 943 H LYS 125 H LYS 125 -4.564 -13.787 -4.646 944 HA LYS 125 HA LYS 125 -5.373 -12.659 -2.067 945 HB2 LYS 125 HB2 LYS 125 -6.720 -12.545 -4.379 946 HB3 LYS 125 HB3 LYS 125 -7.338 -14.084 -3.791 947 HG2 LYS 125 HG2 LYS 125 -7.411 -11.538 -2.178 948 HG3 LYS 125 HG3 LYS 125 -8.736 -12.078 -3.202 949 HD2 LYS 125 HD2 LYS 125 -7.769 -14.129 -1.358 950 HD3 LYS 125 HD3 LYS 125 -8.409 -12.695 -0.558 951 HE2 LYS 125 HE2 LYS 125 -9.848 -14.329 -2.644 952 HE3 LYS 125 HE3 LYS 125 -10.135 -14.406 -0.908 953 HZ1 LYS 125 HZ1 LYS 125 -10.563 -11.879 -1.171 954 HZ2 LYS 125 HZ2 LYS 125 -11.770 -12.976 -1.608 955 HZ3 LYS 125 HZ3 LYS 125 -10.814 -12.261 -2.802 956 H ILE 126 H ILE 126 -5.402 -13.888 -0.354 957 HA ILE 126 HA ILE 126 -6.029 -16.740 -0.565 958 HB ILE 126 HB ILE 126 -3.939 -16.268 1.414 959 HG12 ILE 126 HG12 ILE 126 -2.206 -16.474 -0.611 960 HG13 ILE 126 HG13 ILE 126 -3.426 -15.481 -1.409 961 HG21 ILE 126 HG21 ILE 126 -4.608 -18.476 0.925 962 HG22 ILE 126 HG22 ILE 126 -2.987 -18.294 0.258 963 HG23 ILE 126 HG23 ILE 126 -4.391 -18.235 -0.805 964 HD11 ILE 126 HD11 ILE 126 -1.862 -13.990 -0.487 965 HD12 ILE 126 HD12 ILE 126 -1.818 -14.861 1.044 966 HD13 ILE 126 HD13 ILE 126 -3.253 -13.944 0.594 967 H ALA 127 H ALA 127 -6.346 -17.651 1.734 968 HA ALA 127 HA ALA 127 -7.096 -15.645 3.685 969 HB1 ALA 127 HB1 ALA 127 -9.196 -15.750 2.661 970 HB2 ALA 127 HB2 ALA 127 -9.335 -16.875 4.011 971 HB3 ALA 127 HB3 ALA 127 -9.074 -17.486 2.376 972 H11 CHO 200 H11 CHO 200 6.794 0.435 -1.511 973 H12 CHO 200 H12 CHO 200 7.302 -0.720 -0.246 974 H21 CHO 200 H21 CHO 200 5.380 -0.073 1.142 975 H22 CHO 200 H22 CHO 200 4.839 -0.627 -0.467 976 H3 CHO 200 H3 CHO 200 4.620 1.712 -1.213 977 HO3 CHO 200 HO3 CHO 200 2.760 0.842 -0.250 978 H41 CHO 200 H41 CHO 200 5.413 2.382 1.658 979 H42 CHO 200 H42 CHO 200 4.908 3.550 0.411 980 H5 CHO 200 H5 CHO 200 6.830 2.881 -0.994 981 H61 CHO 200 H61 CHO 200 7.027 4.741 0.663 982 H62 CHO 200 H62 CHO 200 8.579 3.918 0.380 983 H7 CHO 200 H7 CHO 200 8.241 4.280 2.783 984 HO7 CHO 200 HO7 CHO 200 6.418 2.957 3.746 985 H8 CHO 200 H8 CHO 200 9.413 2.254 2.092 986 H9 CHO 200 H9 CHO 200 6.655 0.962 2.171 987 H111 CHO 200 H111 CHO 200 9.351 -0.284 1.556 988 H112 CHO 200 H112 CHO 200 7.747 -1.093 1.560 989 H121 CHO 200 H121 CHO 200 9.051 -1.552 3.633 990 H122 CHO 200 H122 CHO 200 7.518 -0.717 3.955 991 H14 CHO 200 H14 CHO 200 7.441 1.822 4.299 992 H151 CHO 200 H151 CHO 200 8.776 3.678 5.079 993 H152 CHO 200 H152 CHO 200 10.225 3.133 4.305 994 H161 CHO 200 H161 CHO 200 9.048 2.284 6.916 995 H162 CHO 200 H162 CHO 200 10.690 2.028 6.364 996 H17 CHO 200 H17 CHO 200 8.312 0.185 6.105 997 H181 CHO 200 H181 CHO 200 10.966 1.718 3.589 998 H182 CHO 200 H182 CHO 200 10.714 0.264 2.594 999 H183 CHO 200 H183 CHO 200 11.383 0.114 4.236 1000 H191 CHO 200 H191 CHO 200 9.264 2.494 -0.411 1001 H192 CHO 200 H192 CHO 200 9.003 0.971 -1.295 1002 H193 CHO 200 H193 CHO 200 9.690 0.942 0.347 1003 H20 CHO 200 H20 CHO 200 11.258 -0.256 5.944 1004 H211 CHO 200 H211 CHO 200 9.783 -2.586 6.639 1005 H212 CHO 200 H212 CHO 200 10.768 -2.296 5.184 1006 H213 CHO 200 H213 CHO 200 9.032 -1.901 5.178 1007 H221 CHO 200 H221 CHO 200 9.220 -0.671 8.158 1008 H222 CHO 200 H222 CHO 200 10.549 0.533 8.124 1009 H231 CHO 200 H231 CHO 200 12.192 -1.317 8.028 1010 H232 CHO 200 H232 CHO 200 10.844 -2.486 8.157 1011 HN CHO 200 HN CHO 200 10.958 -3.392 10.161 1012 H261 CHO 200 H261 CHO 200 10.268 -1.933 12.460 1013 H262 CHO 200 H262 CHO 200 12.040 -2.167 12.437 1014 H11 CHO 201 H11 CHO 201 -6.410 4.390 0.427 1015 H12 CHO 201 H12 CHO 201 -4.920 5.052 -0.303 1016 H21 CHO 201 H21 CHO 201 -4.101 2.783 -0.745 1017 H22 CHO 201 H22 CHO 201 -5.708 3.026 -1.486 1018 H3 CHO 201 H3 CHO 201 -6.776 1.866 0.410 1019 HO3 CHO 201 HO3 CHO 201 -4.513 0.365 -0.604 1020 H41 CHO 201 H41 CHO 201 -3.914 1.461 1.394 1021 H42 CHO 201 H42 CHO 201 -5.384 0.781 2.135 1022 H5 CHO 201 H5 CHO 201 -6.238 3.067 2.533 1023 H61 CHO 201 H61 CHO 201 -4.849 1.888 4.243 1024 H62 CHO 201 H62 CHO 201 -4.701 3.662 4.333 1025 H7 CHO 201 H7 CHO 201 -2.492 2.659 4.524 1026 HO7 CHO 201 HO7 CHO 201 -2.772 1.595 1.863 1027 H8 CHO 201 H8 CHO 201 -2.629 4.759 3.325 1028 H9 CHO 201 H9 CHO 201 -2.944 3.028 0.830 1029 H111 CHO 201 H111 CHO 201 -2.825 6.047 1.054 1030 H112 CHO 201 H112 CHO 201 -3.006 5.055 -0.435 1031 H121 CHO 201 H121 CHO 201 -0.682 5.905 -0.123 1032 H122 CHO 201 H122 CHO 201 -0.775 4.134 -0.148 1033 H14 CHO 201 H14 CHO 201 -0.829 2.770 2.004 1034 H151 CHO 201 H151 CHO 201 -0.136 2.876 4.364 1035 H152 CHO 201 H152 CHO 201 -0.350 4.574 4.485 1036 H161 CHO 201 H161 CHO 201 1.787 2.994 2.982 1037 H162 CHO 201 H162 CHO 201 1.996 4.521 3.811 1038 H17 CHO 201 H17 CHO 201 1.393 4.098 0.972 1039 H181 CHO 201 H181 CHO 201 -0.722 7.103 1.975 1040 H182 CHO 201 H182 CHO 201 -0.055 6.335 3.437 1041 H183 CHO 201 H183 CHO 201 -1.773 6.122 3.024 1042 H191 CHO 201 H191 CHO 201 -4.756 6.260 1.779 1043 H192 CHO 201 H192 CHO 201 -4.160 5.438 3.241 1044 H193 CHO 201 H193 CHO 201 -5.889 5.371 2.825 1045 H20 CHO 201 H20 CHO 201 1.706 6.593 2.601 1046 H211 CHO 201 H211 CHO 201 1.277 6.095 -0.326 1047 H212 CHO 201 H212 CHO 201 2.393 7.390 0.172 1048 H213 CHO 201 H213 CHO 201 0.696 7.424 0.705 1049 H221 CHO 201 H221 CHO 201 3.632 5.012 0.854 1050 H222 CHO 201 H222 CHO 201 3.647 5.104 2.646 1051 H231 CHO 201 H231 CHO 201 4.073 7.512 2.538 1052 H232 CHO 201 H232 CHO 201 4.033 7.444 0.752 1053 HN CHO 201 HN CHO 201 5.944 6.981 3.632 1054 H261 CHO 201 H261 CHO 201 8.412 7.086 2.396 1055 H262 CHO 201 H262 CHO 201 8.016 5.355 2.544 Start of MODEL 20 1 H ALA 1 H ALA 1 -14.701 -7.147 -4.043 2 HA ALA 1 HA ALA 1 -13.916 -9.274 -3.794 3 HB1 ALA 1 HB1 ALA 1 -13.871 -9.831 -6.157 4 HB2 ALA 1 HB2 ALA 1 -12.361 -10.318 -5.388 5 HB3 ALA 1 HB3 ALA 1 -12.415 -8.858 -6.377 6 H PHE 2 H PHE 2 -12.983 -6.575 -3.018 7 HA PHE 2 HA PHE 2 -10.120 -6.646 -2.950 8 HB2 PHE 2 HB2 PHE 2 -12.220 -4.885 -1.741 9 HB3 PHE 2 HB3 PHE 2 -10.561 -4.784 -1.162 10 HD1 PHE 2 HD1 PHE 2 -8.776 -4.646 -3.148 11 HD2 PHE 2 HD2 PHE 2 -12.844 -3.422 -3.389 12 HE1 PHE 2 HE1 PHE 2 -8.212 -3.148 -5.012 13 HE2 PHE 2 HE2 PHE 2 -12.283 -1.916 -5.252 14 HZ PHE 2 HZ PHE 2 -9.965 -1.776 -6.064 15 H THR 3 H THR 3 -12.687 -7.703 -0.840 16 HA THR 3 HA THR 3 -11.325 -7.915 1.570 17 HB THR 3 HB THR 3 -13.318 -9.996 0.795 18 HG1 THR 3 HG1 THR 3 -14.890 -8.554 0.548 19 HG21 THR 3 HG21 THR 3 -13.015 -8.241 3.235 20 HG22 THR 3 HG22 THR 3 -12.350 -9.869 3.074 21 HG23 THR 3 HG23 THR 3 -14.100 -9.624 3.055 22 H GLY 4 H GLY 4 -10.128 -9.484 2.547 23 HA2 GLY 4 HA2 GLY 4 -9.555 -11.950 2.438 24 HA3 GLY 4 HA3 GLY 4 -9.136 -11.607 0.770 25 H LYS 5 H LYS 5 -7.236 -12.731 2.179 26 HA LYS 5 HA LYS 5 -5.488 -10.606 3.179 27 HB2 LYS 5 HB2 LYS 5 -4.445 -12.164 4.442 28 HB3 LYS 5 HB3 LYS 5 -5.892 -13.111 4.155 29 HG2 LYS 5 HG2 LYS 5 -4.660 -14.061 2.131 30 HG3 LYS 5 HG3 LYS 5 -3.212 -13.350 2.839 31 HD2 LYS 5 HD2 LYS 5 -5.024 -15.211 4.353 32 HD3 LYS 5 HD3 LYS 5 -3.657 -15.776 3.387 33 HE2 LYS 5 HE2 LYS 5 -2.935 -13.609 5.191 34 HE3 LYS 5 HE3 LYS 5 -3.593 -15.004 6.048 35 HZ1 LYS 5 HZ1 LYS 5 -1.148 -15.068 5.716 36 HZ2 LYS 5 HZ2 LYS 5 -1.404 -15.192 4.042 37 HZ3 LYS 5 HZ3 LYS 5 -1.961 -16.408 5.082 38 H TYR 6 H TYR 6 -3.483 -10.154 2.221 39 HA TYR 6 HA TYR 6 -3.066 -11.380 -0.427 40 HB2 TYR 6 HB2 TYR 6 -2.808 -8.465 0.307 41 HB3 TYR 6 HB3 TYR 6 -2.256 -9.149 -1.208 42 HD1 TYR 6 HD1 TYR 6 -3.908 -10.069 -2.813 43 HD2 TYR 6 HD2 TYR 6 -5.109 -7.949 0.673 44 HE1 TYR 6 HE1 TYR 6 -6.142 -9.739 -3.787 45 HE2 TYR 6 HE2 TYR 6 -7.341 -7.618 -0.291 46 HH TYR 6 HH TYR 6 -8.657 -7.945 -2.021 47 H GLU 7 H GLU 7 -0.971 -11.677 -1.060 48 HA GLU 7 HA GLU 7 1.142 -10.976 0.847 49 HB2 GLU 7 HB2 GLU 7 0.468 -13.705 -0.230 50 HB3 GLU 7 HB3 GLU 7 2.112 -13.314 0.268 51 HG2 GLU 7 HG2 GLU 7 1.444 -12.937 2.507 52 HG3 GLU 7 HG3 GLU 7 -0.267 -12.949 2.065 53 H PHE 8 H PHE 8 3.270 -10.952 -0.112 54 HA PHE 8 HA PHE 8 3.477 -9.562 -2.463 55 HB2 PHE 8 HB2 PHE 8 5.248 -10.167 -0.589 56 HB3 PHE 8 HB3 PHE 8 5.717 -11.406 -1.749 57 HD1 PHE 8 HD1 PHE 8 6.040 -10.514 -4.221 58 HD2 PHE 8 HD2 PHE 8 6.262 -8.111 -0.715 59 HE1 PHE 8 HE1 PHE 8 7.384 -8.860 -5.447 60 HE2 PHE 8 HE2 PHE 8 7.609 -6.453 -1.932 61 HZ PHE 8 HZ PHE 8 8.177 -6.825 -4.302 62 H GLU 9 H GLU 9 3.391 -10.004 -4.544 63 HA GLU 9 HA GLU 9 3.632 -12.806 -5.416 64 HB2 GLU 9 HB2 GLU 9 1.288 -12.144 -5.493 65 HB3 GLU 9 HB3 GLU 9 1.702 -10.708 -6.423 66 HG2 GLU 9 HG2 GLU 9 0.989 -12.088 -8.078 67 HG3 GLU 9 HG3 GLU 9 2.713 -12.447 -8.082 68 H SER 10 H SER 10 3.552 -9.468 -6.597 69 HA SER 10 HA SER 10 6.040 -9.888 -8.032 70 HB2 SER 10 HB2 SER 10 3.521 -8.982 -9.447 71 HB3 SER 10 HB3 SER 10 5.124 -9.086 -10.161 72 HG SER 10 HG SER 10 4.731 -11.435 -9.159 73 H ASP 11 H ASP 11 6.819 -7.776 -8.963 74 HA ASP 11 HA ASP 11 5.685 -5.371 -7.828 75 HB2 ASP 11 HB2 ASP 11 7.144 -6.433 -6.034 76 HB3 ASP 11 HB3 ASP 11 8.511 -6.146 -7.101 77 H GLU 12 H GLU 12 6.717 -3.447 -8.707 78 HA GLU 12 HA GLU 12 8.688 -3.850 -10.798 79 HB2 GLU 12 HB2 GLU 12 6.687 -4.309 -12.022 80 HB3 GLU 12 HB3 GLU 12 5.895 -2.893 -11.359 81 HG2 GLU 12 HG2 GLU 12 7.556 -1.481 -12.546 82 HG3 GLU 12 HG3 GLU 12 8.186 -2.943 -13.297 83 H ASN 13 H ASN 13 9.945 -2.188 -11.057 84 HA ASN 13 HA ASN 13 10.979 -0.184 -10.774 85 HB2 ASN 13 HB2 ASN 13 8.442 0.391 -11.707 86 HB3 ASN 13 HB3 ASN 13 8.599 1.439 -10.302 87 HD21 ASN 13 HD21 ASN 13 8.796 3.347 -11.328 88 HD22 ASN 13 HD22 ASN 13 10.107 3.760 -12.382 89 H TYR 14 H TYR 14 10.746 -1.715 -8.459 90 HA TYR 14 HA TYR 14 9.768 -0.226 -6.249 91 HB2 TYR 14 HB2 TYR 14 10.171 -2.716 -6.297 92 HB3 TYR 14 HB3 TYR 14 11.892 -2.373 -6.177 93 HD1 TYR 14 HD1 TYR 14 12.670 -1.011 -4.120 94 HD2 TYR 14 HD2 TYR 14 8.879 -2.928 -4.366 95 HE1 TYR 14 HE1 TYR 14 12.489 -0.952 -1.670 96 HE2 TYR 14 HE2 TYR 14 8.690 -2.872 -1.908 97 HH TYR 14 HH TYR 14 10.246 -2.737 0.059 98 H ASP 15 H ASP 15 13.123 -0.923 -7.250 99 HA ASP 15 HA ASP 15 14.361 0.732 -5.385 100 HB2 ASP 15 HB2 ASP 15 15.382 0.057 -8.135 101 HB3 ASP 15 HB3 ASP 15 16.349 0.581 -6.766 102 H ASP 16 H ASP 16 13.409 1.441 -8.726 103 HA ASP 16 HA ASP 16 14.429 4.023 -8.932 104 HB2 ASP 16 HB2 ASP 16 12.250 2.500 -10.238 105 HB3 ASP 16 HB3 ASP 16 12.168 4.251 -10.392 106 H PHE 17 H PHE 17 11.361 2.896 -7.652 107 HA PHE 17 HA PHE 17 10.196 5.416 -7.156 108 HB2 PHE 17 HB2 PHE 17 8.883 3.375 -7.295 109 HB3 PHE 17 HB3 PHE 17 9.723 2.708 -5.899 110 HD1 PHE 17 HD1 PHE 17 7.711 5.715 -6.826 111 HD2 PHE 17 HD2 PHE 17 8.678 2.800 -3.882 112 HE1 PHE 17 HE1 PHE 17 5.977 6.641 -5.343 113 HE2 PHE 17 HE2 PHE 17 6.954 3.722 -2.392 114 HZ PHE 17 HZ PHE 17 5.599 5.645 -3.123 115 H VAL 18 H VAL 18 11.697 3.083 -4.930 116 HA VAL 18 HA VAL 18 11.547 4.705 -2.650 117 HB VAL 18 HB VAL 18 13.188 3.189 -1.642 118 HG11 VAL 18 HG11 VAL 18 11.110 1.776 -3.298 119 HG12 VAL 18 HG12 VAL 18 10.816 2.587 -1.764 120 HG13 VAL 18 HG13 VAL 18 11.857 1.166 -1.825 121 HG21 VAL 18 HG21 VAL 18 13.942 1.226 -3.032 122 HG22 VAL 18 HG22 VAL 18 14.720 2.763 -3.399 123 HG23 VAL 18 HG23 VAL 18 13.446 2.153 -4.449 124 H LYS 19 H LYS 19 14.031 4.497 -5.146 125 HA LYS 19 HA LYS 19 15.958 6.022 -3.712 126 HB2 LYS 19 HB2 LYS 19 15.620 5.330 -6.620 127 HB3 LYS 19 HB3 LYS 19 16.945 6.338 -6.049 128 HG2 LYS 19 HG2 LYS 19 16.383 3.595 -4.962 129 HG3 LYS 19 HG3 LYS 19 17.457 3.892 -6.330 130 HD2 LYS 19 HD2 LYS 19 19.074 4.840 -5.032 131 HD3 LYS 19 HD3 LYS 19 17.911 5.481 -3.870 132 HE2 LYS 19 HE2 LYS 19 17.610 3.308 -2.887 133 HE3 LYS 19 HE3 LYS 19 18.612 2.564 -4.136 134 HZ1 LYS 19 HZ1 LYS 19 19.681 3.016 -1.903 135 HZ2 LYS 19 HZ2 LYS 19 19.671 4.655 -2.330 136 HZ3 LYS 19 HZ3 LYS 19 20.527 3.535 -3.271 137 H LYS 20 H LYS 20 13.210 6.830 -5.678 138 HA LYS 20 HA LYS 20 14.020 9.564 -6.100 139 HB2 LYS 20 HB2 LYS 20 12.658 8.474 -7.784 140 HB3 LYS 20 HB3 LYS 20 11.395 8.156 -6.605 141 HG2 LYS 20 HG2 LYS 20 10.722 9.993 -7.966 142 HG3 LYS 20 HG3 LYS 20 11.094 10.610 -6.357 143 HD2 LYS 20 HD2 LYS 20 12.382 12.116 -7.384 144 HD3 LYS 20 HD3 LYS 20 13.507 10.789 -7.677 145 HE2 LYS 20 HE2 LYS 20 11.253 11.174 -9.571 146 HE3 LYS 20 HE3 LYS 20 12.600 12.308 -9.644 147 HZ1 LYS 20 HZ1 LYS 20 12.754 10.302 -11.125 148 HZ2 LYS 20 HZ2 LYS 20 12.980 9.371 -9.732 149 HZ3 LYS 20 HZ3 LYS 20 14.092 10.575 -10.130 150 H ILE 21 H ILE 21 11.783 7.864 -3.931 151 HA ILE 21 HA ILE 21 10.813 10.345 -2.825 152 HB ILE 21 HB ILE 21 9.610 8.940 -1.199 153 HG12 ILE 21 HG12 ILE 21 10.562 6.514 -2.688 154 HG13 ILE 21 HG13 ILE 21 11.496 7.137 -1.334 155 HG21 ILE 21 HG21 ILE 21 9.394 8.381 -4.137 156 HG22 ILE 21 HG22 ILE 21 8.364 9.388 -3.115 157 HG23 ILE 21 HG23 ILE 21 8.285 7.631 -2.986 158 HD11 ILE 21 HD11 ILE 21 8.722 6.016 -1.323 159 HD12 ILE 21 HD12 ILE 21 9.356 6.979 0.016 160 HD13 ILE 21 HD13 ILE 21 10.145 5.464 -0.434 161 H GLY 22 H GLY 22 13.620 8.641 -2.454 162 HA2 GLY 22 HA2 GLY 22 15.406 9.094 -1.073 163 HA3 GLY 22 HA3 GLY 22 14.401 10.237 -0.202 164 H LEU 23 H LEU 23 13.653 6.825 -0.697 165 HA LEU 23 HA LEU 23 13.229 6.418 2.092 166 HB2 LEU 23 HB2 LEU 23 12.105 5.186 0.164 167 HB3 LEU 23 HB3 LEU 23 13.605 4.295 -0.024 168 HG LEU 23 HG LEU 23 13.346 3.434 2.295 169 HD11 LEU 23 HD11 LEU 23 11.746 5.419 2.869 170 HD12 LEU 23 HD12 LEU 23 11.515 3.837 3.612 171 HD13 LEU 23 HD13 LEU 23 10.502 4.328 2.256 172 HD21 LEU 23 HD21 LEU 23 10.833 2.737 0.877 173 HD22 LEU 23 HD22 LEU 23 12.043 1.690 1.617 174 HD23 LEU 23 HD23 LEU 23 12.363 2.443 0.056 175 HA PRO 24 HA PRO 24 17.480 5.632 3.160 176 HB2 PRO 24 HB2 PRO 24 17.011 4.313 5.525 177 HB3 PRO 24 HB3 PRO 24 16.966 6.074 5.361 178 HG2 PRO 24 HG2 PRO 24 14.721 4.137 5.418 179 HG3 PRO 24 HG3 PRO 24 14.854 5.742 6.158 180 HD2 PRO 24 HD2 PRO 24 13.470 5.332 3.890 181 HD3 PRO 24 HD3 PRO 24 14.345 6.844 4.206 182 H ALA 25 H ALA 25 18.842 4.001 2.741 183 HA ALA 25 HA ALA 25 18.048 1.669 1.462 184 HB1 ALA 25 HB1 ALA 25 20.264 1.198 1.236 185 HB2 ALA 25 HB2 ALA 25 20.641 1.639 2.901 186 HB3 ALA 25 HB3 ALA 25 20.385 2.898 1.694 187 H ASP 26 H ASP 26 18.617 2.301 4.833 188 HA ASP 26 HA ASP 26 18.828 -0.273 5.868 189 HB2 ASP 26 HB2 ASP 26 17.271 1.811 7.353 190 HB3 ASP 26 HB3 ASP 26 18.484 0.688 7.953 191 H LYS 27 H LYS 27 15.981 1.657 5.079 192 HA LYS 27 HA LYS 27 14.196 -0.458 5.977 193 HB2 LYS 27 HB2 LYS 27 13.539 2.199 4.694 194 HB3 LYS 27 HB3 LYS 27 12.395 1.095 5.437 195 HG2 LYS 27 HG2 LYS 27 14.654 2.409 6.931 196 HG3 LYS 27 HG3 LYS 27 13.017 3.066 6.835 197 HD2 LYS 27 HD2 LYS 27 12.123 1.093 7.916 198 HD3 LYS 27 HD3 LYS 27 13.716 0.334 7.919 199 HE2 LYS 27 HE2 LYS 27 14.557 1.872 9.498 200 HE3 LYS 27 HE3 LYS 27 13.198 2.968 9.273 201 HZ1 LYS 27 HZ1 LYS 27 13.085 1.693 11.354 202 HZ2 LYS 27 HZ2 LYS 27 12.984 0.257 10.472 203 HZ3 LYS 27 HZ3 LYS 27 11.755 1.410 10.355 204 H ILE 28 H ILE 28 15.479 0.921 3.029 205 HA ILE 28 HA ILE 28 13.660 -0.138 1.186 206 HB ILE 28 HB ILE 28 16.608 0.457 0.921 207 HG12 ILE 28 HG12 ILE 28 14.160 1.849 -0.166 208 HG13 ILE 28 HG13 ILE 28 15.115 2.390 1.211 209 HG21 ILE 28 HG21 ILE 28 14.689 -0.470 -1.203 210 HG22 ILE 28 HG22 ILE 28 16.163 -1.273 -0.666 211 HG23 ILE 28 HG23 ILE 28 16.259 0.260 -1.535 212 HD11 ILE 28 HD11 ILE 28 15.866 2.336 -1.689 213 HD12 ILE 28 HD12 ILE 28 17.075 2.480 -0.414 214 HD13 ILE 28 HD13 ILE 28 15.821 3.708 -0.582 215 H GLU 29 H GLU 29 16.841 -1.436 2.178 216 HA GLU 29 HA GLU 29 16.525 -3.929 0.866 217 HB2 GLU 29 HB2 GLU 29 18.325 -3.344 3.222 218 HB3 GLU 29 HB3 GLU 29 18.512 -4.629 2.039 219 HG2 GLU 29 HG2 GLU 29 18.776 -1.678 1.523 220 HG3 GLU 29 HG3 GLU 29 20.093 -2.844 1.630 221 H MET 30 H MET 30 15.300 -2.698 3.774 222 HA MET 30 HA MET 30 14.958 -5.258 5.072 223 HB2 MET 30 HB2 MET 30 15.411 -3.163 6.342 224 HB3 MET 30 HB3 MET 30 13.849 -2.545 5.829 225 HG2 MET 30 HG2 MET 30 13.644 -3.356 8.047 226 HG3 MET 30 HG3 MET 30 12.777 -4.458 6.980 227 HE1 MET 30 HE1 MET 30 12.764 -6.844 7.895 228 HE2 MET 30 HE2 MET 30 14.227 -7.784 7.590 229 HE3 MET 30 HE3 MET 30 13.538 -6.778 6.313 230 H GLY 31 H GLY 31 13.081 -3.055 3.091 231 HA2 GLY 31 HA2 GLY 31 10.720 -4.782 3.511 232 HA3 GLY 31 HA3 GLY 31 10.646 -3.098 3.025 233 H ARG 32 H ARG 32 12.998 -5.189 1.555 234 HA ARG 32 HA ARG 32 11.438 -5.014 -0.929 235 HB2 ARG 32 HB2 ARG 32 13.541 -5.299 -2.137 236 HB3 ARG 32 HB3 ARG 32 13.614 -3.917 -1.054 237 HG2 ARG 32 HG2 ARG 32 15.074 -4.974 0.398 238 HG3 ARG 32 HG3 ARG 32 14.656 -6.581 -0.191 239 HD2 ARG 32 HD2 ARG 32 16.838 -6.032 -1.000 240 HD3 ARG 32 HD3 ARG 32 15.722 -5.997 -2.359 241 HE ARG 32 HE ARG 32 16.867 -3.631 -1.031 242 HH11 ARG 32 HH11 ARG 32 15.341 -5.159 -3.822 243 HH12 ARG 32 HH12 ARG 32 15.691 -3.759 -4.909 244 HH21 ARG 32 HH21 ARG 32 17.342 -1.870 -2.383 245 HH22 ARG 32 HH22 ARG 32 16.789 -1.923 -4.114 246 H ASN 33 H ASN 33 10.657 -6.768 -1.822 247 HA ASN 33 HA ASN 33 10.113 -8.926 -2.229 248 HB2 ASN 33 HB2 ASN 33 12.999 -8.850 -2.165 249 HB3 ASN 33 HB3 ASN 33 12.405 -10.414 -1.611 250 HD21 ASN 33 HD21 ASN 33 12.552 -8.182 -4.273 251 HD22 ASN 33 HD22 ASN 33 12.013 -9.290 -5.492 252 H CYS 34 H CYS 34 9.967 -7.820 0.540 253 HA CYS 34 HA CYS 34 10.278 -10.203 2.173 254 HB2 CYS 34 HB2 CYS 34 9.498 -7.357 2.791 255 HB3 CYS 34 HB3 CYS 34 9.440 -8.638 3.995 256 HG CYS 34 HG CYS 34 11.792 -6.909 4.113 257 H LYS 35 H LYS 35 8.490 -11.102 3.372 258 HA LYS 35 HA LYS 35 6.099 -11.139 1.754 259 HB2 LYS 35 HB2 LYS 35 5.379 -12.913 3.460 260 HB3 LYS 35 HB3 LYS 35 6.671 -13.295 2.333 261 HG2 LYS 35 HG2 LYS 35 8.296 -12.709 4.154 262 HG3 LYS 35 HG3 LYS 35 6.914 -12.604 5.256 263 HD2 LYS 35 HD2 LYS 35 6.324 -14.910 4.736 264 HD3 LYS 35 HD3 LYS 35 7.676 -15.011 3.604 265 HE2 LYS 35 HE2 LYS 35 9.226 -14.577 5.443 266 HE3 LYS 35 HE3 LYS 35 7.872 -14.519 6.568 267 HZ1 LYS 35 HZ1 LYS 35 7.374 -16.827 6.007 268 HZ2 LYS 35 HZ2 LYS 35 8.939 -16.670 6.617 269 HZ3 LYS 35 HZ3 LYS 35 8.700 -16.874 4.959 270 H ILE 36 H ILE 36 5.041 -9.254 2.089 271 HA ILE 36 HA ILE 36 4.204 -8.608 4.819 272 HB ILE 36 HB ILE 36 4.122 -7.020 2.249 273 HG12 ILE 36 HG12 ILE 36 5.318 -5.376 3.870 274 HG13 ILE 36 HG13 ILE 36 5.591 -6.811 4.847 275 HG21 ILE 36 HG21 ILE 36 3.006 -5.232 3.424 276 HG22 ILE 36 HG22 ILE 36 2.942 -6.200 4.898 277 HG23 ILE 36 HG23 ILE 36 2.013 -6.691 3.480 278 HD11 ILE 36 HD11 ILE 36 6.946 -7.795 3.242 279 HD12 ILE 36 HD12 ILE 36 7.424 -6.093 3.244 280 HD13 ILE 36 HD13 ILE 36 6.374 -6.712 1.969 281 H VAL 37 H VAL 37 2.258 -9.203 5.481 282 HA VAL 37 HA VAL 37 0.352 -10.225 3.518 283 HB VAL 37 HB VAL 37 0.001 -10.299 6.500 284 HG11 VAL 37 HG11 VAL 37 -1.865 -10.877 4.884 285 HG12 VAL 37 HG12 VAL 37 -1.481 -12.064 6.132 286 HG13 VAL 37 HG13 VAL 37 -0.914 -12.309 4.478 287 HG21 VAL 37 HG21 VAL 37 2.222 -11.225 5.936 288 HG22 VAL 37 HG22 VAL 37 1.435 -12.369 4.847 289 HG23 VAL 37 HG23 VAL 37 1.115 -12.434 6.580 290 H THR 38 H THR 38 -1.369 -9.096 2.907 291 HA THR 38 HA THR 38 -2.161 -6.778 4.538 292 HB THR 38 HB THR 38 -2.746 -7.244 1.615 293 HG1 THR 38 HG1 THR 38 -0.493 -6.895 2.047 294 HG21 THR 38 HG21 THR 38 -3.338 -4.850 1.628 295 HG22 THR 38 HG22 THR 38 -3.089 -4.818 3.375 296 HG23 THR 38 HG23 THR 38 -4.377 -5.808 2.686 297 H GLU 39 H GLU 39 -3.823 -7.340 5.813 298 HA GLU 39 HA GLU 39 -5.820 -9.223 4.792 299 HB2 GLU 39 HB2 GLU 39 -5.417 -8.124 7.581 300 HB3 GLU 39 HB3 GLU 39 -6.607 -9.336 7.129 301 HG2 GLU 39 HG2 GLU 39 -4.823 -10.858 6.478 302 HG3 GLU 39 HG3 GLU 39 -3.623 -9.641 6.899 303 H VAL 40 H VAL 40 -7.442 -8.339 3.719 304 HA VAL 40 HA VAL 40 -8.369 -5.656 4.462 305 HB VAL 40 HB VAL 40 -8.885 -7.261 1.959 306 HG11 VAL 40 HG11 VAL 40 -10.669 -5.604 2.678 307 HG12 VAL 40 HG12 VAL 40 -9.997 -5.396 1.062 308 HG13 VAL 40 HG13 VAL 40 -9.473 -4.342 2.376 309 HG21 VAL 40 HG21 VAL 40 -7.113 -4.863 2.390 310 HG22 VAL 40 HG22 VAL 40 -7.385 -5.704 0.863 311 HG23 VAL 40 HG23 VAL 40 -6.561 -6.526 2.189 312 H VAL 41 H VAL 41 -10.214 -5.423 5.505 313 HA VAL 41 HA VAL 41 -12.195 -7.603 5.428 314 HB VAL 41 HB VAL 41 -11.744 -5.478 7.543 315 HG11 VAL 41 HG11 VAL 41 -13.773 -7.706 7.475 316 HG12 VAL 41 HG12 VAL 41 -14.117 -5.986 7.311 317 HG13 VAL 41 HG13 VAL 41 -13.482 -6.615 8.831 318 HG21 VAL 41 HG21 VAL 41 -10.061 -7.235 7.599 319 HG22 VAL 41 HG22 VAL 41 -11.326 -8.465 7.627 320 HG23 VAL 41 HG23 VAL 41 -11.136 -7.364 8.994 321 H GLN 42 H GLN 42 -14.106 -7.145 4.457 322 HA GLN 42 HA GLN 42 -14.519 -4.406 3.542 323 HB2 GLN 42 HB2 GLN 42 -14.594 -6.199 1.878 324 HB3 GLN 42 HB3 GLN 42 -15.916 -6.962 2.752 325 HG2 GLN 42 HG2 GLN 42 -17.378 -5.127 2.255 326 HG3 GLN 42 HG3 GLN 42 -16.053 -4.203 1.546 327 HE21 GLN 42 HE21 GLN 42 -18.254 -6.853 1.112 328 HE22 GLN 42 HE22 GLN 42 -17.970 -7.077 -0.576 329 H ASN 43 H ASN 43 -16.108 -3.133 4.163 330 HA ASN 43 HA ASN 43 -18.486 -4.171 5.453 331 HB2 ASN 43 HB2 ASN 43 -16.961 -3.878 7.353 332 HB3 ASN 43 HB3 ASN 43 -16.643 -2.218 6.858 333 HD21 ASN 43 HD21 ASN 43 -17.382 -1.350 8.766 334 HD22 ASN 43 HD22 ASN 43 -19.058 -1.317 9.192 335 H GLY 44 H GLY 44 -19.502 -3.364 3.596 336 HA2 GLY 44 HA2 GLY 44 -20.757 -1.788 2.487 337 HA3 GLY 44 HA3 GLY 44 -20.398 -0.672 3.795 338 H ASN 45 H ASN 45 -18.774 0.815 3.563 339 HA ASN 45 HA ASN 45 -17.376 0.819 0.964 340 HB2 ASN 45 HB2 ASN 45 -18.927 2.923 2.324 341 HB3 ASN 45 HB3 ASN 45 -17.354 3.449 1.742 342 HD21 ASN 45 HD21 ASN 45 -19.256 0.949 0.221 343 HD22 ASN 45 HD22 ASN 45 -19.622 1.840 -1.215 344 H ASP 46 H ASP 46 -16.914 0.083 3.983 345 HA ASP 46 HA ASP 46 -14.434 1.591 4.375 346 HB2 ASP 46 HB2 ASP 46 -15.812 1.684 6.309 347 HB3 ASP 46 HB3 ASP 46 -16.159 -0.041 6.233 348 H PHE 47 H PHE 47 -12.607 0.682 3.787 349 HA PHE 47 HA PHE 47 -12.374 -2.254 3.863 350 HB2 PHE 47 HB2 PHE 47 -11.152 -0.269 1.937 351 HB3 PHE 47 HB3 PHE 47 -10.661 -1.956 2.035 352 HD1 PHE 47 HD1 PHE 47 -13.357 0.341 1.073 353 HD2 PHE 47 HD2 PHE 47 -12.040 -3.705 1.171 354 HE1 PHE 47 HE1 PHE 47 -15.159 -0.278 -0.482 355 HE2 PHE 47 HE2 PHE 47 -13.834 -4.330 -0.389 356 HZ PHE 47 HZ PHE 47 -15.396 -2.616 -1.219 357 H THR 48 H THR 48 -10.871 -3.003 5.186 358 HA THR 48 HA THR 48 -9.076 -1.104 6.449 359 HB THR 48 HB THR 48 -8.619 -3.591 7.598 360 HG1 THR 48 HG1 THR 48 -11.316 -3.572 7.815 361 HG21 THR 48 HG21 THR 48 -8.844 -1.473 8.779 362 HG22 THR 48 HG22 THR 48 -9.929 -2.678 9.468 363 HG23 THR 48 HG23 THR 48 -10.565 -1.429 8.397 364 H TRP 49 H TRP 49 -7.005 -0.936 5.969 365 HA TRP 49 HA TRP 49 -5.763 -3.030 4.320 366 HB2 TRP 49 HB2 TRP 49 -5.773 -0.205 4.140 367 HB3 TRP 49 HB3 TRP 49 -4.146 -0.660 4.637 368 HD1 TRP 49 HD1 TRP 49 -2.596 -0.937 2.631 369 HE1 TRP 49 HE1 TRP 49 -2.833 -1.700 0.179 370 HE3 TRP 49 HE3 TRP 49 -7.597 -1.986 2.601 371 HZ2 TRP 49 HZ2 TRP 49 -4.887 -2.620 -1.536 372 HZ3 TRP 49 HZ3 TRP 49 -8.622 -2.789 0.515 373 HH2 TRP 49 HH2 TRP 49 -7.296 -3.100 -1.508 374 H THR 50 H THR 50 -4.967 -4.478 5.735 375 HA THR 50 HA THR 50 -3.393 -3.470 8.011 376 HB THR 50 HB THR 50 -4.436 -6.283 7.667 377 HG1 THR 50 HG1 THR 50 -6.324 -5.325 7.912 378 HG21 THR 50 HG21 THR 50 -4.135 -6.400 10.089 379 HG22 THR 50 HG22 THR 50 -3.560 -4.730 10.109 380 HG23 THR 50 HG23 THR 50 -2.622 -5.972 9.281 381 H GLN 51 H GLN 51 -1.275 -3.422 7.513 382 HA GLN 51 HA GLN 51 -0.216 -5.546 5.781 383 HB2 GLN 51 HB2 GLN 51 0.441 -2.707 6.161 384 HB3 GLN 51 HB3 GLN 51 1.832 -3.773 6.034 385 HG2 GLN 51 HG2 GLN 51 1.553 -3.300 3.849 386 HG3 GLN 51 HG3 GLN 51 0.484 -4.695 3.962 387 HE21 GLN 51 HE21 GLN 51 -0.823 -4.090 2.299 388 HE22 GLN 51 HE22 GLN 51 -1.871 -2.714 2.365 389 H HIS 52 H HIS 52 0.754 -7.140 6.731 390 HA HIS 52 HA HIS 52 1.899 -6.773 9.395 391 HB2 HIS 52 HB2 HIS 52 1.120 -9.254 7.855 392 HB3 HIS 52 HB3 HIS 52 1.911 -9.297 9.422 393 HD2 HIS 52 HD2 HIS 52 -1.554 -9.068 7.908 394 HE1 HIS 52 HE1 HIS 52 -1.926 -8.197 12.032 395 HE2 HIS 52 HE2 HIS 52 -3.167 -8.916 9.935 396 H PHE 53 H PHE 53 4.014 -6.882 9.759 397 HA PHE 53 HA PHE 53 5.743 -7.581 7.492 398 HB2 PHE 53 HB2 PHE 53 5.793 -5.249 8.722 399 HB3 PHE 53 HB3 PHE 53 6.737 -6.137 9.915 400 HD1 PHE 53 HD1 PHE 53 6.589 -5.871 6.201 401 HD2 PHE 53 HD2 PHE 53 8.993 -5.953 9.704 402 HE1 PHE 53 HE1 PHE 53 8.613 -5.599 4.818 403 HE2 PHE 53 HE2 PHE 53 11.017 -5.683 8.335 404 HZ PHE 53 HZ PHE 53 10.826 -5.512 5.889 405 HA PRO 54 HA PRO 54 6.841 -11.214 9.753 406 HB2 PRO 54 HB2 PRO 54 9.179 -11.780 8.435 407 HB3 PRO 54 HB3 PRO 54 7.575 -12.107 7.743 408 HG2 PRO 54 HG2 PRO 54 9.423 -9.822 7.229 409 HG3 PRO 54 HG3 PRO 54 8.439 -10.758 6.087 410 HD2 PRO 54 HD2 PRO 54 7.691 -8.327 6.970 411 HD3 PRO 54 HD3 PRO 54 6.511 -9.598 6.585 412 H GLY 55 H GLY 55 7.449 -10.858 11.797 413 HA2 GLY 55 HA2 GLY 55 8.804 -10.505 13.607 414 HA3 GLY 55 HA3 GLY 55 10.167 -10.591 12.506 415 H GLY 56 H GLY 56 7.698 -8.171 11.990 416 HA2 GLY 56 HA2 GLY 56 9.406 -6.159 13.295 417 HA3 GLY 56 HA3 GLY 56 9.006 -5.958 11.599 418 H ARG 57 H ARG 57 8.176 -3.899 12.467 419 HA ARG 57 HA ARG 57 5.889 -3.819 14.124 420 HB2 ARG 57 HB2 ARG 57 5.637 -1.465 13.269 421 HB3 ARG 57 HB3 ARG 57 7.190 -1.832 13.995 422 HG2 ARG 57 HG2 ARG 57 7.787 -0.600 12.157 423 HG3 ARG 57 HG3 ARG 57 7.959 -2.251 11.562 424 HD2 ARG 57 HD2 ARG 57 5.311 -1.569 11.017 425 HD3 ARG 57 HD3 ARG 57 6.234 -0.116 10.626 426 HE ARG 57 HE ARG 57 7.695 -1.749 9.318 427 HH11 ARG 57 HH11 ARG 57 4.204 -1.958 9.677 428 HH12 ARG 57 HH12 ARG 57 3.995 -2.968 8.203 429 HH21 ARG 57 HH21 ARG 57 7.472 -2.984 7.416 430 HH22 ARG 57 HH22 ARG 57 5.829 -3.526 6.921 431 H THR 58 H THR 58 3.706 -3.385 13.579 432 HA THR 58 HA THR 58 3.004 -4.287 10.872 433 HB THR 58 HB THR 58 2.179 -5.725 12.768 434 HG1 THR 58 HG1 THR 58 0.708 -6.178 11.329 435 HG21 THR 58 HG21 THR 58 0.258 -3.468 13.301 436 HG22 THR 58 HG22 THR 58 1.681 -3.784 14.297 437 HG23 THR 58 HG23 THR 58 0.405 -4.996 14.173 438 H THR 59 H THR 59 1.345 -3.180 9.759 439 HA THR 59 HA THR 59 0.734 -0.517 10.845 440 HB THR 59 HB THR 59 1.379 -1.052 7.937 441 HG1 THR 59 HG1 THR 59 3.112 0.499 9.437 442 HG21 THR 59 HG21 THR 59 1.635 1.445 7.924 443 HG22 THR 59 HG22 THR 59 0.940 1.460 9.547 444 HG23 THR 59 HG23 THR 59 -0.017 0.876 8.183 445 H THR 60 H THR 60 -1.371 -0.475 11.180 446 HA THR 60 HA THR 60 -3.127 -1.763 9.201 447 HB THR 60 HB THR 60 -3.891 -1.324 12.081 448 HG1 THR 60 HG1 THR 60 -2.242 -3.299 10.959 449 HG21 THR 60 HG21 THR 60 -4.865 -3.183 9.900 450 HG22 THR 60 HG22 THR 60 -5.735 -1.824 10.618 451 HG23 THR 60 HG23 THR 60 -5.395 -3.259 11.584 452 H ASN 61 H ASN 61 -4.187 -0.293 8.027 453 HA ASN 61 HA ASN 61 -5.143 2.133 9.410 454 HB2 ASN 61 HB2 ASN 61 -4.171 1.931 6.549 455 HB3 ASN 61 HB3 ASN 61 -4.954 3.345 7.240 456 HD21 ASN 61 HD21 ASN 61 -3.445 2.755 9.836 457 HD22 ASN 61 HD22 ASN 61 -1.865 3.382 9.526 458 H SER 62 H SER 62 -7.202 2.545 9.291 459 HA SER 62 HA SER 62 -8.860 0.860 7.558 460 HB2 SER 62 HB2 SER 62 -10.631 1.476 9.283 461 HB3 SER 62 HB3 SER 62 -9.303 0.458 9.853 462 HG SER 62 HG SER 62 -9.620 3.256 10.233 463 H PHE 63 H PHE 63 -9.892 1.862 5.922 464 HA PHE 63 HA PHE 63 -10.415 4.732 6.198 465 HB2 PHE 63 HB2 PHE 63 -9.731 5.128 3.886 466 HB3 PHE 63 HB3 PHE 63 -8.396 4.482 4.835 467 HD1 PHE 63 HD1 PHE 63 -10.846 3.751 2.199 468 HD2 PHE 63 HD2 PHE 63 -7.443 2.350 4.339 469 HE1 PHE 63 HE1 PHE 63 -10.526 1.975 0.530 470 HE2 PHE 63 HE2 PHE 63 -7.118 0.574 2.665 471 HZ PHE 63 HZ PHE 63 -8.666 0.385 0.762 472 H THR 64 H THR 64 -12.163 5.536 5.071 473 HA THR 64 HA THR 64 -13.990 3.520 3.973 474 HB THR 64 HB THR 64 -14.600 5.944 5.669 475 HG1 THR 64 HG1 THR 64 -14.350 3.283 6.148 476 HG21 THR 64 HG21 THR 64 -16.999 5.235 5.434 477 HG22 THR 64 HG22 THR 64 -16.492 4.197 4.101 478 HG23 THR 64 HG23 THR 64 -16.288 5.947 3.985 479 H ILE 65 H ILE 65 -14.669 3.896 1.941 480 HA ILE 65 HA ILE 65 -13.529 5.831 0.321 481 HB ILE 65 HB ILE 65 -16.198 4.499 -0.131 482 HG12 ILE 65 HG12 ILE 65 -14.489 2.826 0.309 483 HG13 ILE 65 HG13 ILE 65 -14.894 2.824 -1.402 484 HG21 ILE 65 HG21 ILE 65 -15.683 6.439 -1.594 485 HG22 ILE 65 HG22 ILE 65 -15.824 4.913 -2.466 486 HG23 ILE 65 HG23 ILE 65 -14.232 5.594 -2.132 487 HD11 ILE 65 HD11 ILE 65 -12.448 4.027 -0.128 488 HD12 ILE 65 HD12 ILE 65 -12.872 4.180 -1.833 489 HD13 ILE 65 HD13 ILE 65 -12.529 2.593 -1.151 490 H ASP 66 H ASP 66 -13.822 7.898 0.037 491 HA ASP 66 HA ASP 66 -14.722 9.973 -0.101 492 HB2 ASP 66 HB2 ASP 66 -16.793 8.771 -0.972 493 HB3 ASP 66 HB3 ASP 66 -17.413 8.849 0.673 494 H LYS 67 H LYS 67 -13.793 8.558 2.330 495 HA LYS 67 HA LYS 67 -14.694 10.559 4.274 496 HB2 LYS 67 HB2 LYS 67 -15.957 8.628 4.874 497 HB3 LYS 67 HB3 LYS 67 -14.569 7.575 4.658 498 HG2 LYS 67 HG2 LYS 67 -14.989 7.830 6.995 499 HG3 LYS 67 HG3 LYS 67 -13.488 8.671 6.595 500 HD2 LYS 67 HD2 LYS 67 -14.991 10.755 6.355 501 HD3 LYS 67 HD3 LYS 67 -16.178 9.818 7.261 502 HE2 LYS 67 HE2 LYS 67 -14.727 9.632 9.129 503 HE3 LYS 67 HE3 LYS 67 -13.358 10.250 8.208 504 HZ1 LYS 67 HZ1 LYS 67 -15.667 11.717 9.296 505 HZ2 LYS 67 HZ2 LYS 67 -14.832 12.339 7.969 506 HZ3 LYS 67 HZ3 LYS 67 -14.020 12.074 9.429 507 H GLU 68 H GLU 68 -13.063 11.370 5.562 508 HA GLU 68 HA GLU 68 -10.382 10.841 4.807 509 HB2 GLU 68 HB2 GLU 68 -9.761 12.392 6.598 510 HB3 GLU 68 HB3 GLU 68 -11.060 13.043 5.613 511 HG2 GLU 68 HG2 GLU 68 -11.885 13.579 7.640 512 HG3 GLU 68 HG3 GLU 68 -12.535 11.946 7.536 513 H ALA 69 H ALA 69 -8.791 9.673 5.836 514 HA ALA 69 HA ALA 69 -9.646 8.062 8.144 515 HB1 ALA 69 HB1 ALA 69 -9.900 6.741 6.098 516 HB2 ALA 69 HB2 ALA 69 -8.655 6.081 7.160 517 HB3 ALA 69 HB3 ALA 69 -8.196 6.999 5.728 518 H ASP 70 H ASP 70 -8.018 7.321 9.502 519 HA ASP 70 HA ASP 70 -5.641 8.971 9.569 520 HB2 ASP 70 HB2 ASP 70 -6.687 8.656 11.702 521 HB3 ASP 70 HB3 ASP 70 -6.782 6.914 11.468 522 H MET 71 H MET 71 -3.817 8.347 8.635 523 HA MET 71 HA MET 71 -3.452 5.474 8.181 524 HB2 MET 71 HB2 MET 71 -2.556 7.713 6.382 525 HB3 MET 71 HB3 MET 71 -2.369 5.985 6.084 526 HG2 MET 71 HG2 MET 71 -4.561 5.694 5.579 527 HG3 MET 71 HG3 MET 71 -5.091 7.031 6.593 528 HE1 MET 71 HE1 MET 71 -6.380 7.936 3.085 529 HE2 MET 71 HE2 MET 71 -6.708 8.358 4.767 530 HE3 MET 71 HE3 MET 71 -6.533 6.666 4.301 531 H GLU 72 H GLU 72 -1.161 4.944 7.652 532 HA GLU 72 HA GLU 72 0.910 6.599 8.733 533 HB2 GLU 72 HB2 GLU 72 0.086 5.708 10.831 534 HB3 GLU 72 HB3 GLU 72 0.083 4.069 10.193 535 HG2 GLU 72 HG2 GLU 72 2.295 3.799 10.542 536 HG3 GLU 72 HG3 GLU 72 2.676 5.470 10.130 537 H THR 73 H THR 73 2.934 5.860 8.060 538 HA THR 73 HA THR 73 2.799 3.891 5.922 539 HB THR 73 HB THR 73 4.949 4.671 5.221 540 HG1 THR 73 HG1 THR 73 6.293 5.818 6.498 541 HG21 THR 73 HG21 THR 73 3.613 7.177 6.202 542 HG22 THR 73 HG22 THR 73 2.896 6.194 4.928 543 HG23 THR 73 HG23 THR 73 4.485 6.917 4.699 544 H MET 74 H MET 74 5.094 2.640 5.807 545 HA MET 74 HA MET 74 5.070 0.943 8.138 546 HB2 MET 74 HB2 MET 74 6.553 0.854 5.510 547 HB3 MET 74 HB3 MET 74 6.872 -0.290 6.802 548 HG2 MET 74 HG2 MET 74 4.502 -0.973 6.731 549 HG3 MET 74 HG3 MET 74 4.268 0.101 5.350 550 HE1 MET 74 HE1 MET 74 4.245 -3.677 4.040 551 HE2 MET 74 HE2 MET 74 3.233 -2.296 4.465 552 HE3 MET 74 HE3 MET 74 3.946 -3.292 5.734 553 H GLY 75 H GLY 75 6.621 3.732 7.131 554 HA2 GLY 75 HA2 GLY 75 9.118 3.220 8.528 555 HA3 GLY 75 HA3 GLY 75 8.699 4.678 7.635 556 H GLY 76 H GLY 76 6.019 4.450 9.187 557 HA2 GLY 76 HA2 GLY 76 5.288 4.889 11.395 558 HA3 GLY 76 HA3 GLY 76 6.935 5.329 11.824 559 H ARG 77 H ARG 77 4.450 6.405 9.504 560 HA ARG 77 HA ARG 77 4.989 9.169 10.369 561 HB2 ARG 77 HB2 ARG 77 4.052 8.412 7.601 562 HB3 ARG 77 HB3 ARG 77 4.617 9.978 8.152 563 HG2 ARG 77 HG2 ARG 77 6.854 9.111 8.351 564 HG3 ARG 77 HG3 ARG 77 6.289 7.500 7.888 565 HD2 ARG 77 HD2 ARG 77 6.994 8.269 5.866 566 HD3 ARG 77 HD3 ARG 77 5.327 8.814 5.821 567 HE ARG 77 HE ARG 77 6.159 11.023 6.507 568 HH11 ARG 77 HH11 ARG 77 8.417 8.725 5.080 569 HH12 ARG 77 HH12 ARG 77 9.539 10.023 4.527 570 HH21 ARG 77 HH21 ARG 77 7.551 12.680 5.822 571 HH22 ARG 77 HH22 ARG 77 9.067 12.235 4.944 572 H LYS 78 H LYS 78 3.283 10.164 11.219 573 HA LYS 78 HA LYS 78 0.660 8.927 10.940 574 HB2 LYS 78 HB2 LYS 78 1.730 11.058 12.778 575 HB3 LYS 78 HB3 LYS 78 0.028 10.645 12.704 576 HG2 LYS 78 HG2 LYS 78 2.313 8.884 13.566 577 HG3 LYS 78 HG3 LYS 78 0.976 9.482 14.552 578 HD2 LYS 78 HD2 LYS 78 0.834 7.496 12.287 579 HD3 LYS 78 HD3 LYS 78 0.574 7.174 14.000 580 HE2 LYS 78 HE2 LYS 78 -1.451 8.394 14.028 581 HE3 LYS 78 HE3 LYS 78 -1.121 9.115 12.455 582 HZ1 LYS 78 HZ1 LYS 78 -1.511 7.070 11.381 583 HZ2 LYS 78 HZ2 LYS 78 -2.792 7.287 12.467 584 HZ3 LYS 78 HZ3 LYS 78 -1.538 6.214 12.841 585 H PHE 79 H PHE 79 -0.765 9.651 9.558 586 HA PHE 79 HA PHE 79 -1.148 12.468 9.071 587 HB2 PHE 79 HB2 PHE 79 -0.806 12.315 6.626 588 HB3 PHE 79 HB3 PHE 79 0.683 11.991 7.510 589 HD1 PHE 79 HD1 PHE 79 1.564 9.732 7.673 590 HD2 PHE 79 HD2 PHE 79 -1.843 10.624 5.294 591 HE1 PHE 79 HE1 PHE 79 1.826 7.590 6.515 592 HE2 PHE 79 HE2 PHE 79 -1.590 8.476 4.122 593 HZ PHE 79 HZ PHE 79 0.249 6.954 4.733 594 H LYS 80 H LYS 80 -2.952 12.789 7.451 595 HA LYS 80 HA LYS 80 -4.776 10.489 7.399 596 HB2 LYS 80 HB2 LYS 80 -5.392 13.304 8.309 597 HB3 LYS 80 HB3 LYS 80 -6.645 12.169 7.821 598 HG2 LYS 80 HG2 LYS 80 -6.596 11.137 9.784 599 HG3 LYS 80 HG3 LYS 80 -4.841 10.994 9.751 600 HD2 LYS 80 HD2 LYS 80 -5.498 12.290 11.671 601 HD3 LYS 80 HD3 LYS 80 -4.670 13.336 10.512 602 HE2 LYS 80 HE2 LYS 80 -6.684 14.387 11.482 603 HE3 LYS 80 HE3 LYS 80 -6.786 14.208 9.734 604 HZ1 LYS 80 HZ1 LYS 80 -8.456 12.707 9.884 605 HZ2 LYS 80 HZ2 LYS 80 -8.745 13.512 11.347 606 HZ3 LYS 80 HZ3 LYS 80 -7.899 12.048 11.344 607 H ALA 81 H ALA 81 -6.105 10.375 5.616 608 HA ALA 81 HA ALA 81 -5.981 12.511 3.642 609 HB1 ALA 81 HB1 ALA 81 -4.026 11.139 3.123 610 HB2 ALA 81 HB2 ALA 81 -5.240 11.025 1.849 611 HB3 ALA 81 HB3 ALA 81 -5.052 9.708 3.010 612 H THR 82 H THR 82 -7.459 12.104 1.822 613 HA THR 82 HA THR 82 -9.812 10.612 2.736 614 HB THR 82 HB THR 82 -9.902 12.471 0.394 615 HG1 THR 82 HG1 THR 82 -9.422 13.182 3.070 616 HG21 THR 82 HG21 THR 82 -11.881 11.132 1.083 617 HG22 THR 82 HG22 THR 82 -12.161 12.868 1.184 618 HG23 THR 82 HG23 THR 82 -11.844 11.945 2.649 619 H VAL 83 H VAL 83 -10.550 8.887 1.594 620 HA VAL 83 HA VAL 83 -9.082 8.211 -0.870 621 HB VAL 83 HB VAL 83 -10.406 6.269 1.032 622 HG11 VAL 83 HG11 VAL 83 -10.250 5.216 -1.026 623 HG12 VAL 83 HG12 VAL 83 -8.760 4.724 -0.218 624 HG13 VAL 83 HG13 VAL 83 -8.727 6.008 -1.426 625 HG21 VAL 83 HG21 VAL 83 -8.286 5.772 1.970 626 HG22 VAL 83 HG22 VAL 83 -8.461 7.527 2.031 627 HG23 VAL 83 HG23 VAL 83 -7.452 6.782 0.791 628 H LYS 84 H LYS 84 -10.246 7.563 -2.642 629 HA LYS 84 HA LYS 84 -13.175 7.470 -2.357 630 HB2 LYS 84 HB2 LYS 84 -13.288 8.666 -4.590 631 HB3 LYS 84 HB3 LYS 84 -12.783 9.648 -3.220 632 HG2 LYS 84 HG2 LYS 84 -10.383 8.827 -4.113 633 HG3 LYS 84 HG3 LYS 84 -11.295 8.828 -5.623 634 HD2 LYS 84 HD2 LYS 84 -11.850 11.129 -5.378 635 HD3 LYS 84 HD3 LYS 84 -11.217 11.169 -3.733 636 HE2 LYS 84 HE2 LYS 84 -8.968 10.816 -4.547 637 HE3 LYS 84 HE3 LYS 84 -9.563 10.624 -6.194 638 HZ1 LYS 84 HZ1 LYS 84 -10.252 12.899 -6.223 639 HZ2 LYS 84 HZ2 LYS 84 -8.631 12.845 -5.745 640 HZ3 LYS 84 HZ3 LYS 84 -9.842 13.107 -4.595 641 H MET 85 H MET 85 -14.024 6.718 -4.744 642 HA MET 85 HA MET 85 -12.302 4.509 -5.617 643 HB2 MET 85 HB2 MET 85 -14.681 4.245 -4.085 644 HB3 MET 85 HB3 MET 85 -15.022 3.653 -5.694 645 HG2 MET 85 HG2 MET 85 -13.132 2.127 -5.532 646 HG3 MET 85 HG3 MET 85 -12.786 2.733 -3.910 647 HE1 MET 85 HE1 MET 85 -14.128 -0.600 -2.702 648 HE2 MET 85 HE2 MET 85 -13.089 0.772 -2.308 649 HE3 MET 85 HE3 MET 85 -12.847 -0.114 -3.818 650 H GLU 86 H GLU 86 -12.254 4.240 -7.761 651 HA GLU 86 HA GLU 86 -14.362 5.491 -9.380 652 HB2 GLU 86 HB2 GLU 86 -12.549 6.103 -11.040 653 HB3 GLU 86 HB3 GLU 86 -12.583 7.053 -9.563 654 HG2 GLU 86 HG2 GLU 86 -10.727 5.817 -8.666 655 HG3 GLU 86 HG3 GLU 86 -10.742 4.725 -10.048 656 H GLY 87 H GLY 87 -15.373 3.839 -10.269 657 HA2 GLY 87 HA2 GLY 87 -15.752 1.985 -11.572 658 HA3 GLY 87 HA3 GLY 87 -14.136 2.215 -12.220 659 H GLY 88 H GLY 88 -14.875 1.641 -8.824 660 HA2 GLY 88 HA2 GLY 88 -14.613 -0.289 -7.548 661 HA3 GLY 88 HA3 GLY 88 -14.198 -1.165 -9.013 662 H LYS 89 H LYS 89 -12.497 1.753 -8.492 663 HA LYS 89 HA LYS 89 -10.154 0.220 -7.573 664 HB2 LYS 89 HB2 LYS 89 -10.153 2.694 -9.315 665 HB3 LYS 89 HB3 LYS 89 -8.739 1.790 -8.798 666 HG2 LYS 89 HG2 LYS 89 -9.665 -0.184 -10.038 667 HG3 LYS 89 HG3 LYS 89 -10.887 0.903 -10.704 668 HD2 LYS 89 HD2 LYS 89 -9.065 2.341 -11.565 669 HD3 LYS 89 HD3 LYS 89 -7.897 1.155 -10.991 670 HE2 LYS 89 HE2 LYS 89 -9.341 -0.499 -12.428 671 HE3 LYS 89 HE3 LYS 89 -9.827 0.978 -13.255 672 HZ1 LYS 89 HZ1 LYS 89 -7.032 0.028 -12.899 673 HZ2 LYS 89 HZ2 LYS 89 -7.489 1.463 -13.679 674 HZ3 LYS 89 HZ3 LYS 89 -7.928 -0.031 -14.338 675 H ILE 90 H ILE 90 -9.320 0.825 -5.683 676 HA ILE 90 HA ILE 90 -10.429 3.127 -4.341 677 HB ILE 90 HB ILE 90 -8.201 1.426 -3.262 678 HG12 ILE 90 HG12 ILE 90 -11.130 0.793 -3.485 679 HG13 ILE 90 HG13 ILE 90 -9.756 -0.248 -3.816 680 HG21 ILE 90 HG21 ILE 90 -9.238 2.041 -1.122 681 HG22 ILE 90 HG22 ILE 90 -10.435 2.995 -2.003 682 HG23 ILE 90 HG23 ILE 90 -8.730 3.446 -2.057 683 HD11 ILE 90 HD11 ILE 90 -9.283 -0.292 -1.368 684 HD12 ILE 90 HD12 ILE 90 -10.826 -1.014 -1.828 685 HD13 ILE 90 HD13 ILE 90 -10.787 0.601 -1.117 686 H VAL 91 H VAL 91 -9.668 5.055 -4.845 687 HA VAL 91 HA VAL 91 -6.789 5.364 -5.330 688 HB VAL 91 HB VAL 91 -7.905 6.015 -7.276 689 HG11 VAL 91 HG11 VAL 91 -9.868 7.500 -5.561 690 HG12 VAL 91 HG12 VAL 91 -10.166 6.028 -6.488 691 HG13 VAL 91 HG13 VAL 91 -9.830 7.547 -7.321 692 HG21 VAL 91 HG21 VAL 91 -7.429 8.512 -5.658 693 HG22 VAL 91 HG22 VAL 91 -7.625 8.472 -7.409 694 HG23 VAL 91 HG23 VAL 91 -6.252 7.658 -6.659 695 H ALA 92 H ALA 92 -5.619 6.557 -4.002 696 HA ALA 92 HA ALA 92 -6.996 8.136 -1.934 697 HB1 ALA 92 HB1 ALA 92 -5.240 7.688 -0.470 698 HB2 ALA 92 HB2 ALA 92 -4.133 7.267 -1.779 699 HB3 ALA 92 HB3 ALA 92 -5.446 6.169 -1.349 700 H ASP 93 H ASP 93 -6.420 10.259 -1.545 701 HA ASP 93 HA ASP 93 -4.863 11.522 -3.685 702 HB2 ASP 93 HB2 ASP 93 -7.045 12.437 -3.487 703 HB3 ASP 93 HB3 ASP 93 -6.895 12.616 -1.741 704 H PHE 94 H PHE 94 -2.893 12.146 -3.343 705 HA PHE 94 HA PHE 94 -2.075 13.200 -0.742 706 HB2 PHE 94 HB2 PHE 94 -0.728 10.911 -2.184 707 HB3 PHE 94 HB3 PHE 94 0.082 11.867 -0.949 708 HD1 PHE 94 HD1 PHE 94 -0.803 11.869 1.365 709 HD2 PHE 94 HD2 PHE 94 -2.222 9.210 -1.632 710 HE1 PHE 94 HE1 PHE 94 -1.762 10.424 3.106 711 HE2 PHE 94 HE2 PHE 94 -3.192 7.765 0.113 712 HZ PHE 94 HZ PHE 94 -2.954 8.367 2.476 713 HA PRO 95 HA PRO 95 0.092 16.076 -3.328 714 HB2 PRO 95 HB2 PRO 95 2.155 16.815 -1.705 715 HB3 PRO 95 HB3 PRO 95 0.483 17.334 -1.421 716 HG2 PRO 95 HG2 PRO 95 2.035 15.170 -0.096 717 HG3 PRO 95 HG3 PRO 95 0.903 16.344 0.602 718 HD2 PRO 95 HD2 PRO 95 0.217 13.774 0.065 719 HD3 PRO 95 HD3 PRO 95 -0.941 15.115 0.026 720 H ASN 96 H ASN 96 1.101 15.292 -5.071 721 HA ASN 96 HA ASN 96 2.757 14.577 -6.450 722 HB2 ASN 96 HB2 ASN 96 4.245 15.872 -4.875 723 HB3 ASN 96 HB3 ASN 96 4.549 14.362 -4.026 724 HD21 ASN 96 HD21 ASN 96 6.689 14.211 -4.464 725 HD22 ASN 96 HD22 ASN 96 7.337 13.966 -6.054 726 H TYR 97 H TYR 97 1.315 12.809 -4.149 727 HA TYR 97 HA TYR 97 2.525 10.288 -5.094 728 HB2 TYR 97 HB2 TYR 97 2.906 10.941 -2.623 729 HB3 TYR 97 HB3 TYR 97 1.196 10.616 -2.402 730 HD1 TYR 97 HD1 TYR 97 0.437 8.219 -3.377 731 HD2 TYR 97 HD2 TYR 97 4.375 9.249 -2.140 732 HE1 TYR 97 HE1 TYR 97 0.942 5.837 -3.002 733 HE2 TYR 97 HE2 TYR 97 4.884 6.874 -1.756 734 HH TYR 97 HH TYR 97 2.752 4.340 -2.775 735 H HIS 98 H HIS 98 1.174 8.973 -6.087 736 HA HIS 98 HA HIS 98 -1.724 9.346 -5.696 737 HB2 HIS 98 HB2 HIS 98 -0.795 10.206 -7.923 738 HB3 HIS 98 HB3 HIS 98 -0.454 8.525 -8.316 739 HD1 HIS 98 HD1 HIS 98 -3.360 10.829 -7.591 740 HD2 HIS 98 HD2 HIS 98 -2.602 7.100 -9.265 741 HE1 HIS 98 HE1 HIS 98 -5.528 10.103 -8.641 742 HE2 HIS 98 HE2 HIS 98 -5.008 7.912 -9.772 743 H HIS 99 H HIS 99 -2.485 7.582 -4.708 744 HA HIS 99 HA HIS 99 -1.234 4.991 -5.344 745 HB2 HIS 99 HB2 HIS 99 -1.095 6.011 -2.950 746 HB3 HIS 99 HB3 HIS 99 -2.775 5.504 -2.819 747 HD2 HIS 99 HD2 HIS 99 -3.175 2.687 -2.885 748 HE1 HIS 99 HE1 HIS 99 0.900 1.837 -2.123 749 HE2 HIS 99 HE2 HIS 99 -1.463 0.908 -2.061 750 H THR 100 H THR 100 -2.472 3.793 -6.604 751 HA THR 100 HA THR 100 -5.375 3.782 -6.118 752 HB THR 100 HB THR 100 -5.534 3.063 -8.572 753 HG1 THR 100 HG1 THR 100 -3.313 2.663 -8.930 754 HG21 THR 100 HG21 THR 100 -5.469 5.367 -9.388 755 HG22 THR 100 HG22 THR 100 -4.558 5.846 -7.955 756 HG23 THR 100 HG23 THR 100 -6.219 5.276 -7.796 757 H ALA 101 H ALA 101 -6.227 1.858 -5.607 758 HA ALA 101 HA ALA 101 -4.581 -0.544 -6.076 759 HB1 ALA 101 HB1 ALA 101 -4.714 -0.238 -3.745 760 HB2 ALA 101 HB2 ALA 101 -5.912 -1.480 -4.123 761 HB3 ALA 101 HB3 ALA 101 -6.423 0.181 -3.818 762 H GLU 102 H GLU 102 -5.536 -2.297 -7.071 763 HA GLU 102 HA GLU 102 -8.403 -2.397 -7.446 764 HB2 GLU 102 HB2 GLU 102 -8.400 -2.297 -9.846 765 HB3 GLU 102 HB3 GLU 102 -7.610 -0.849 -9.237 766 HG2 GLU 102 HG2 GLU 102 -5.426 -1.845 -9.697 767 HG3 GLU 102 HG3 GLU 102 -6.222 -3.288 -10.312 768 H ILE 103 H ILE 103 -8.822 -4.252 -9.175 769 HA ILE 103 HA ILE 103 -7.105 -6.518 -8.414 770 HB ILE 103 HB ILE 103 -10.078 -6.553 -8.982 771 HG12 ILE 103 HG12 ILE 103 -9.518 -5.582 -6.777 772 HG13 ILE 103 HG13 ILE 103 -10.357 -7.122 -6.626 773 HG21 ILE 103 HG21 ILE 103 -8.800 -8.562 -9.730 774 HG22 ILE 103 HG22 ILE 103 -10.033 -8.893 -8.514 775 HG23 ILE 103 HG23 ILE 103 -8.332 -8.825 -8.048 776 HD11 ILE 103 HD11 ILE 103 -7.450 -6.542 -6.178 777 HD12 ILE 103 HD12 ILE 103 -8.083 -8.179 -6.336 778 HD13 ILE 103 HD13 ILE 103 -8.638 -7.141 -5.023 779 H SER 104 H SER 104 -5.920 -7.038 -10.110 780 HA SER 104 HA SER 104 -7.213 -7.082 -12.757 781 HB2 SER 104 HB2 SER 104 -4.363 -6.421 -12.006 782 HB3 SER 104 HB3 SER 104 -4.879 -6.737 -13.663 783 HG SER 104 HG SER 104 -6.284 -4.848 -12.146 784 H GLY 105 H GLY 105 -7.606 -9.095 -13.344 785 HA2 GLY 105 HA2 GLY 105 -7.251 -11.316 -13.835 786 HA3 GLY 105 HA3 GLY 105 -5.550 -11.058 -13.474 787 H GLY 106 H GLY 106 -8.051 -10.312 -11.183 788 HA2 GLY 106 HA2 GLY 106 -8.720 -11.361 -9.233 789 HA3 GLY 106 HA3 GLY 106 -7.889 -12.814 -9.781 790 H LYS 107 H LYS 107 -6.120 -9.877 -9.774 791 HA LYS 107 HA LYS 107 -4.813 -10.602 -7.242 792 HB2 LYS 107 HB2 LYS 107 -3.636 -10.199 -9.942 793 HB3 LYS 107 HB3 LYS 107 -2.731 -9.571 -8.571 794 HG2 LYS 107 HG2 LYS 107 -2.441 -11.693 -7.646 795 HG3 LYS 107 HG3 LYS 107 -3.723 -12.396 -8.638 796 HD2 LYS 107 HD2 LYS 107 -2.246 -11.804 -10.640 797 HD3 LYS 107 HD3 LYS 107 -0.958 -11.556 -9.458 798 HE2 LYS 107 HE2 LYS 107 -1.515 -13.887 -8.604 799 HE3 LYS 107 HE3 LYS 107 -2.453 -14.081 -10.083 800 HZ1 LYS 107 HZ1 LYS 107 -0.012 -13.103 -10.880 801 HZ2 LYS 107 HZ2 LYS 107 -0.579 -14.683 -11.059 802 HZ3 LYS 107 HZ3 LYS 107 0.350 -14.269 -9.704 803 H LEU 108 H LEU 108 -4.129 -8.951 -5.976 804 HA LEU 108 HA LEU 108 -5.291 -6.344 -6.473 805 HB2 LEU 108 HB2 LEU 108 -5.250 -7.559 -4.240 806 HB3 LEU 108 HB3 LEU 108 -3.530 -7.261 -4.187 807 HG LEU 108 HG LEU 108 -4.984 -5.737 -2.800 808 HD11 LEU 108 HD11 LEU 108 -2.688 -5.181 -3.303 809 HD12 LEU 108 HD12 LEU 108 -3.693 -3.733 -3.327 810 HD13 LEU 108 HD13 LEU 108 -3.174 -4.473 -4.841 811 HD21 LEU 108 HD21 LEU 108 -5.690 -4.618 -5.507 812 HD22 LEU 108 HD22 LEU 108 -6.028 -3.841 -3.961 813 HD23 LEU 108 HD23 LEU 108 -6.794 -5.378 -4.364 814 H VAL 109 H VAL 109 -4.245 -4.786 -7.480 815 HA VAL 109 HA VAL 109 -1.312 -4.770 -7.357 816 HB VAL 109 HB VAL 109 -1.780 -5.512 -9.561 817 HG11 VAL 109 HG11 VAL 109 -4.150 -4.923 -9.629 818 HG12 VAL 109 HG12 VAL 109 -3.307 -4.416 -11.094 819 HG13 VAL 109 HG13 VAL 109 -3.717 -3.228 -9.855 820 HG21 VAL 109 HG21 VAL 109 -0.032 -3.871 -9.518 821 HG22 VAL 109 HG22 VAL 109 -1.202 -2.555 -9.577 822 HG23 VAL 109 HG23 VAL 109 -0.997 -3.615 -10.968 823 H GLU 110 H GLU 110 -0.609 -3.044 -6.388 824 HA GLU 110 HA GLU 110 -2.292 -0.642 -6.330 825 HB2 GLU 110 HB2 GLU 110 0.132 -1.259 -4.629 826 HB3 GLU 110 HB3 GLU 110 -0.978 0.082 -4.425 827 HG2 GLU 110 HG2 GLU 110 -2.757 -1.428 -3.816 828 HG3 GLU 110 HG3 GLU 110 -1.706 -2.814 -4.105 829 H ILE 111 H ILE 111 -1.663 1.187 -7.287 830 HA ILE 111 HA ILE 111 1.045 1.259 -8.448 831 HB ILE 111 HB ILE 111 -1.470 2.575 -9.503 832 HG12 ILE 111 HG12 ILE 111 -0.557 1.100 -11.554 833 HG13 ILE 111 HG13 ILE 111 0.055 0.120 -10.225 834 HG21 ILE 111 HG21 ILE 111 1.385 2.721 -10.454 835 HG22 ILE 111 HG22 ILE 111 0.373 4.050 -9.880 836 HG23 ILE 111 HG23 ILE 111 -0.002 3.252 -11.407 837 HD11 ILE 111 HD11 ILE 111 -2.102 -0.670 -11.014 838 HD12 ILE 111 HD12 ILE 111 -2.819 0.902 -10.659 839 HD13 ILE 111 HD13 ILE 111 -2.202 -0.100 -9.348 840 H SER 112 H SER 112 2.330 2.773 -7.656 841 HA SER 112 HA SER 112 1.120 5.075 -6.258 842 HB2 SER 112 HB2 SER 112 3.782 3.873 -5.519 843 HB3 SER 112 HB3 SER 112 2.760 4.950 -4.564 844 HG SER 112 HG SER 112 1.230 3.191 -4.467 845 H THR 113 H THR 113 1.473 6.836 -7.397 846 HA THR 113 HA THR 113 3.926 7.046 -8.982 847 HB THR 113 HB THR 113 1.928 9.209 -9.173 848 HG1 THR 113 HG1 THR 113 1.316 6.648 -10.260 849 HG21 THR 113 HG21 THR 113 3.637 9.292 -10.762 850 HG22 THR 113 HG22 THR 113 2.301 8.562 -11.649 851 HG23 THR 113 HG23 THR 113 3.601 7.550 -11.028 852 H SER 114 H SER 114 5.500 8.432 -8.468 853 HA SER 114 HA SER 114 4.966 10.664 -6.685 854 HB2 SER 114 HB2 SER 114 7.097 8.594 -6.090 855 HB3 SER 114 HB3 SER 114 6.844 10.098 -5.202 856 HG SER 114 HG SER 114 4.521 8.889 -5.299 857 H SER 115 H SER 115 5.719 12.347 -7.737 858 HA SER 115 HA SER 115 6.997 13.716 -9.000 859 HB2 SER 115 HB2 SER 115 9.237 11.810 -8.303 860 HB3 SER 115 HB3 SER 115 9.424 13.461 -8.893 861 HG SER 115 HG SER 115 9.568 13.674 -6.735 862 H GLY 116 H GLY 116 5.662 11.402 -10.220 863 HA2 GLY 116 HA2 GLY 116 5.411 11.028 -12.539 864 HA3 GLY 116 HA3 GLY 116 7.089 11.490 -12.771 865 H VAL 117 H VAL 117 7.567 9.620 -10.307 866 HA VAL 117 HA VAL 117 8.217 7.311 -11.919 867 HB VAL 117 HB VAL 117 8.560 7.681 -8.929 868 HG11 VAL 117 HG11 VAL 117 10.416 5.937 -9.430 869 HG12 VAL 117 HG12 VAL 117 9.466 5.596 -10.878 870 HG13 VAL 117 HG13 VAL 117 8.740 5.397 -9.283 871 HG21 VAL 117 HG21 VAL 117 10.546 8.116 -11.157 872 HG22 VAL 117 HG22 VAL 117 10.877 8.246 -9.427 873 HG23 VAL 117 HG23 VAL 117 9.772 9.382 -10.208 874 H VAL 118 H VAL 118 6.938 5.621 -12.212 875 HA VAL 118 HA VAL 118 4.580 5.340 -10.494 876 HB VAL 118 HB VAL 118 5.134 3.977 -13.133 877 HG11 VAL 118 HG11 VAL 118 2.878 3.291 -13.108 878 HG12 VAL 118 HG12 VAL 118 2.494 4.343 -11.744 879 HG13 VAL 118 HG13 VAL 118 3.511 2.921 -11.503 880 HG21 VAL 118 HG21 VAL 118 4.933 6.536 -13.141 881 HG22 VAL 118 HG22 VAL 118 3.241 6.271 -12.721 882 HG23 VAL 118 HG23 VAL 118 3.886 5.628 -14.232 883 H TYR 119 H TYR 119 4.633 3.910 -8.955 884 HA TYR 119 HA TYR 119 6.420 1.582 -9.175 885 HB2 TYR 119 HB2 TYR 119 6.949 2.790 -7.207 886 HB3 TYR 119 HB3 TYR 119 5.257 3.077 -6.830 887 HD1 TYR 119 HD1 TYR 119 7.528 0.133 -7.341 888 HD2 TYR 119 HD2 TYR 119 4.396 1.893 -5.060 889 HE1 TYR 119 HE1 TYR 119 7.512 -1.821 -5.856 890 HE2 TYR 119 HE2 TYR 119 4.378 -0.063 -3.570 891 HH TYR 119 HH TYR 119 6.381 -2.896 -4.251 892 H LYS 120 H LYS 120 5.541 -0.410 -9.344 893 HA LYS 120 HA LYS 120 2.663 -0.692 -8.811 894 HB2 LYS 120 HB2 LYS 120 4.320 -1.901 -11.019 895 HB3 LYS 120 HB3 LYS 120 2.686 -2.413 -10.634 896 HG2 LYS 120 HG2 LYS 120 1.752 -0.435 -11.385 897 HG3 LYS 120 HG3 LYS 120 3.272 0.446 -11.229 898 HD2 LYS 120 HD2 LYS 120 4.148 -0.456 -13.171 899 HD3 LYS 120 HD3 LYS 120 3.047 -1.832 -13.145 900 HE2 LYS 120 HE2 LYS 120 1.225 -0.510 -13.864 901 HE3 LYS 120 HE3 LYS 120 2.101 0.988 -13.570 902 HZ1 LYS 120 HZ1 LYS 120 2.946 -1.017 -15.578 903 HZ2 LYS 120 HZ2 LYS 120 3.533 0.558 -15.389 904 HZ3 LYS 120 HZ3 LYS 120 1.958 0.305 -15.943 905 H ARG 121 H ARG 121 1.986 -2.515 -7.773 906 HA ARG 121 HA ARG 121 3.921 -4.617 -7.174 907 HB2 ARG 121 HB2 ARG 121 2.877 -4.475 -4.742 908 HB3 ARG 121 HB3 ARG 121 4.290 -3.528 -5.189 909 HG2 ARG 121 HG2 ARG 121 3.126 -1.554 -5.241 910 HG3 ARG 121 HG3 ARG 121 1.587 -2.343 -5.583 911 HD2 ARG 121 HD2 ARG 121 1.780 -1.362 -3.298 912 HD3 ARG 121 HD3 ARG 121 1.378 -3.077 -3.333 913 HE ARG 121 HE ARG 121 4.196 -2.609 -3.097 914 HH11 ARG 121 HH11 ARG 121 1.125 -2.754 -1.370 915 HH12 ARG 121 HH12 ARG 121 1.907 -3.167 0.208 916 HH21 ARG 121 HH21 ARG 121 5.227 -3.166 -1.145 917 HH22 ARG 121 HH22 ARG 121 4.229 -3.406 0.335 918 H THR 122 H THR 122 3.028 -6.582 -7.155 919 HA THR 122 HA THR 122 0.093 -6.737 -7.355 920 HB THR 122 HB THR 122 1.939 -8.881 -8.326 921 HG1 THR 122 HG1 THR 122 1.961 -6.383 -9.228 922 HG21 THR 122 HG21 THR 122 0.115 -9.409 -9.785 923 HG22 THR 122 HG22 THR 122 -0.729 -7.928 -9.347 924 HG23 THR 122 HG23 THR 122 -0.528 -9.212 -8.158 925 H SER 123 H SER 123 -0.947 -7.859 -5.872 926 HA SER 123 HA SER 123 0.581 -9.720 -4.181 927 HB2 SER 123 HB2 SER 123 -1.755 -8.102 -3.170 928 HB3 SER 123 HB3 SER 123 -0.518 -8.953 -2.240 929 HG SER 123 HG SER 123 -0.410 -6.468 -3.509 930 H LYS 124 H LYS 124 -0.291 -11.700 -3.931 931 HA LYS 124 HA LYS 124 -2.630 -12.346 -5.492 932 HB2 LYS 124 HB2 LYS 124 -2.162 -14.678 -4.796 933 HB3 LYS 124 HB3 LYS 124 -0.768 -13.890 -5.528 934 HG2 LYS 124 HG2 LYS 124 0.192 -13.507 -3.328 935 HG3 LYS 124 HG3 LYS 124 -1.232 -14.232 -2.575 936 HD2 LYS 124 HD2 LYS 124 -0.611 -16.355 -3.130 937 HD3 LYS 124 HD3 LYS 124 0.208 -15.843 -4.605 938 HE2 LYS 124 HE2 LYS 124 1.311 -15.158 -1.901 939 HE3 LYS 124 HE3 LYS 124 1.630 -16.723 -2.640 940 HZ1 LYS 124 HZ1 LYS 124 2.167 -14.871 -4.605 941 HZ2 LYS 124 HZ2 LYS 124 3.298 -15.750 -3.700 942 HZ3 LYS 124 HZ3 LYS 124 2.831 -14.208 -3.192 943 H LYS 125 H LYS 125 -4.474 -13.455 -4.644 944 HA LYS 125 HA LYS 125 -5.177 -12.482 -1.966 945 HB2 LYS 125 HB2 LYS 125 -6.563 -12.060 -4.192 946 HB3 LYS 125 HB3 LYS 125 -7.212 -13.651 -3.822 947 HG2 LYS 125 HG2 LYS 125 -7.221 -11.376 -1.855 948 HG3 LYS 125 HG3 LYS 125 -8.543 -11.697 -2.973 949 HD2 LYS 125 HD2 LYS 125 -7.643 -14.012 -1.394 950 HD3 LYS 125 HD3 LYS 125 -8.380 -12.709 -0.466 951 HE2 LYS 125 HE2 LYS 125 -9.570 -14.299 -2.723 952 HE3 LYS 125 HE3 LYS 125 -10.134 -14.174 -1.055 953 HZ1 LYS 125 HZ1 LYS 125 -10.582 -11.777 -1.518 954 HZ2 LYS 125 HZ2 LYS 125 -11.535 -12.843 -2.421 955 HZ3 LYS 125 HZ3 LYS 125 -10.224 -12.065 -3.149 956 H ILE 126 H ILE 126 -5.139 -13.882 -0.356 957 HA ILE 126 HA ILE 126 -5.800 -16.692 -0.937 958 HB ILE 126 HB ILE 126 -3.893 -16.279 1.279 959 HG12 ILE 126 HG12 ILE 126 -2.035 -16.445 -0.650 960 HG13 ILE 126 HG13 ILE 126 -3.225 -15.473 -1.511 961 HG21 ILE 126 HG21 ILE 126 -2.901 -18.314 0.349 962 HG22 ILE 126 HG22 ILE 126 -3.997 -18.210 -1.030 963 HG23 ILE 126 HG23 ILE 126 -4.640 -18.486 0.589 964 HD11 ILE 126 HD11 ILE 126 -1.877 -14.813 1.095 965 HD12 ILE 126 HD12 ILE 126 -3.178 -13.867 0.373 966 HD13 ILE 126 HD13 ILE 126 -1.637 -14.027 -0.465 967 H ALA 127 H ALA 127 -6.422 -17.885 1.102 968 HA ALA 127 HA ALA 127 -7.337 -16.280 3.317 969 HB1 ALA 127 HB1 ALA 127 -9.181 -15.935 1.783 970 HB2 ALA 127 HB2 ALA 127 -9.696 -16.988 3.103 971 HB3 ALA 127 HB3 ALA 127 -9.321 -17.673 1.522 972 H11 CHO 200 H11 CHO 200 6.708 0.301 -1.597 973 H12 CHO 200 H12 CHO 200 7.266 -0.943 -0.441 974 H21 CHO 200 H21 CHO 200 5.375 -0.437 1.044 975 H22 CHO 200 H22 CHO 200 4.796 -0.871 -0.589 976 H3 CHO 200 H3 CHO 200 4.519 1.516 -1.141 977 HO3 CHO 200 HO3 CHO 200 3.349 0.815 1.419 978 H41 CHO 200 H41 CHO 200 5.393 1.973 1.747 979 H42 CHO 200 H42 CHO 200 4.838 3.225 0.606 980 H5 CHO 200 H5 CHO 200 6.732 2.692 -0.897 981 H61 CHO 200 H61 CHO 200 6.949 4.426 0.889 982 H62 CHO 200 H62 CHO 200 8.503 3.644 0.520 983 H7 CHO 200 H7 CHO 200 8.203 3.824 2.945 984 HO7 CHO 200 HO7 CHO 200 6.426 2.537 3.902 985 H8 CHO 200 H8 CHO 200 9.386 1.870 2.101 986 H9 CHO 200 H9 CHO 200 6.651 0.530 2.104 987 H111 CHO 200 H111 CHO 200 9.367 -0.606 1.374 988 H112 CHO 200 H112 CHO 200 7.785 -1.448 1.302 989 H121 CHO 200 H121 CHO 200 9.089 -2.049 3.339 990 H122 CHO 200 H122 CHO 200 7.538 -1.272 3.723 991 H14 CHO 200 H14 CHO 200 7.418 1.241 4.264 992 H151 CHO 200 H151 CHO 200 8.731 3.053 5.185 993 H152 CHO 200 H152 CHO 200 10.195 2.566 4.404 994 H161 CHO 200 H161 CHO 200 8.958 1.522 6.920 995 H162 CHO 200 H162 CHO 200 10.615 1.319 6.398 996 H17 CHO 200 H17 CHO 200 8.259 -0.511 5.923 997 H181 CHO 200 H181 CHO 200 10.973 1.229 3.648 998 H182 CHO 200 H182 CHO 200 10.730 -0.085 2.471 999 H183 CHO 200 H183 CHO 200 11.377 -0.447 4.089 1000 H191 CHO 200 H191 CHO 200 9.198 2.294 -0.371 1001 H192 CHO 200 H192 CHO 200 8.919 0.865 -1.395 1002 H193 CHO 200 H193 CHO 200 9.642 0.675 0.220 1003 H20 CHO 200 H20 CHO 200 11.210 -0.930 5.860 1004 H211 CHO 200 H211 CHO 200 9.739 -3.317 6.281 1005 H212 CHO 200 H212 CHO 200 10.779 -2.893 4.900 1006 H213 CHO 200 H213 CHO 200 9.039 -2.523 4.851 1007 H221 CHO 200 H221 CHO 200 9.018 -1.512 7.894 1008 H222 CHO 200 H222 CHO 200 10.353 -0.325 8.057 1009 H231 CHO 200 H231 CHO 200 11.999 -2.135 8.006 1010 H232 CHO 200 H232 CHO 200 10.691 -3.332 7.801 1011 HN CHO 200 HN CHO 200 12.269 -3.840 9.892 1012 H261 CHO 200 H261 CHO 200 11.292 -4.508 12.057 1013 H262 CHO 200 H262 CHO 200 10.809 -2.808 12.264 1014 H11 CHO 201 H11 CHO 201 -6.254 4.483 0.506 1015 H12 CHO 201 H12 CHO 201 -4.809 5.194 -0.271 1016 H21 CHO 201 H21 CHO 201 -3.925 2.951 -0.727 1017 H22 CHO 201 H22 CHO 201 -5.558 3.139 -1.427 1018 H3 CHO 201 H3 CHO 201 -6.535 1.957 0.503 1019 HO3 CHO 201 HO3 CHO 201 -5.853 0.660 -1.268 1020 H41 CHO 201 H41 CHO 201 -3.628 1.643 1.391 1021 H42 CHO 201 H42 CHO 201 -5.046 0.911 2.181 1022 H5 CHO 201 H5 CHO 201 -5.968 3.170 2.612 1023 H61 CHO 201 H61 CHO 201 -4.471 2.028 4.265 1024 H62 CHO 201 H62 CHO 201 -4.395 3.807 4.365 1025 H7 CHO 201 H7 CHO 201 -2.141 2.895 4.473 1026 HO7 CHO 201 HO7 CHO 201 -2.611 0.902 3.313 1027 H8 CHO 201 H8 CHO 201 -2.418 5.001 3.292 1028 H9 CHO 201 H9 CHO 201 -2.724 3.254 0.805 1029 H111 CHO 201 H111 CHO 201 -2.739 6.276 1.016 1030 H112 CHO 201 H112 CHO 201 -2.909 5.267 -0.464 1031 H121 CHO 201 H121 CHO 201 -0.625 6.235 -0.214 1032 H122 CHO 201 H122 CHO 201 -0.629 4.463 -0.232 1033 H14 CHO 201 H14 CHO 201 -0.554 3.105 1.921 1034 H151 CHO 201 H151 CHO 201 0.186 3.251 4.264 1035 H152 CHO 201 H152 CHO 201 -0.119 4.935 4.389 1036 H161 CHO 201 H161 CHO 201 2.061 3.474 2.823 1037 H162 CHO 201 H162 CHO 201 2.216 5.000 3.665 1038 H17 CHO 201 H17 CHO 201 1.582 4.583 0.843 1039 H181 CHO 201 H181 CHO 201 -0.675 7.440 1.901 1040 H182 CHO 201 H182 CHO 201 0.010 6.689 3.362 1041 H183 CHO 201 H183 CHO 201 -1.692 6.403 2.929 1042 H191 CHO 201 H191 CHO 201 -4.602 6.419 1.813 1043 H192 CHO 201 H192 CHO 201 -3.984 5.604 3.270 1044 H193 CHO 201 H193 CHO 201 -5.713 5.502 2.858 1045 H20 CHO 201 H20 CHO 201 1.696 7.102 2.460 1046 H211 CHO 201 H211 CHO 201 1.327 6.519 -0.442 1047 H212 CHO 201 H212 CHO 201 2.437 7.840 -0.003 1048 H213 CHO 201 H213 CHO 201 0.744 7.883 0.541 1049 H221 CHO 201 H221 CHO 201 3.787 5.627 0.816 1050 H222 CHO 201 H222 CHO 201 3.735 5.766 2.605 1051 H231 CHO 201 H231 CHO 201 3.914 8.240 2.374 1052 H232 CHO 201 H232 CHO 201 4.113 8.023 0.611 1053 HN CHO 201 HN CHO 201 5.386 5.609 2.840 1054 H261 CHO 201 H261 CHO 201 8.142 6.426 2.128 1055 H262 CHO 201 H262 CHO 201 7.601 4.788 2.558
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