NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
520814 | 2l4e | 17238 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ILE 6 HA ILE 6 14.062 -0.784 -8.042 2 HB ILE 6 HB ILE 6 12.561 -2.239 -6.763 3 HG12 ILE 6 HG12 ILE 6 12.359 -3.868 -9.329 4 HG13 ILE 6 HG13 ILE 6 13.156 -4.390 -7.834 5 HG21 ILE 6 HG21 ILE 6 11.450 -1.525 -9.513 6 HG22 ILE 6 HG22 ILE 6 10.529 -1.655 -7.997 7 HG23 ILE 6 HG23 ILE 6 11.726 -0.364 -8.198 8 HD11 ILE 6 HD11 ILE 6 10.197 -3.770 -8.183 9 HD12 ILE 6 HD12 ILE 6 10.928 -5.363 -7.941 10 HD13 ILE 6 HD13 ILE 6 10.976 -4.169 -6.627 11 H LYS 7 H LYS 7 16.026 -2.929 -9.416 12 HA LYS 7 HA LYS 7 17.042 -4.019 -6.839 13 HB2 LYS 7 HB2 LYS 7 17.218 -5.229 -9.623 14 HB3 LYS 7 HB3 LYS 7 17.942 -5.899 -8.147 15 HG2 LYS 7 HG2 LYS 7 15.687 -6.049 -7.113 16 HG3 LYS 7 HG3 LYS 7 14.964 -5.423 -8.606 17 HD2 LYS 7 HD2 LYS 7 15.895 -7.345 -9.866 18 HD3 LYS 7 HD3 LYS 7 16.608 -7.985 -8.375 19 HE2 LYS 7 HE2 LYS 7 13.634 -7.503 -8.842 20 HE3 LYS 7 HE3 LYS 7 14.438 -9.075 -8.995 21 HZ1 LYS 7 HZ1 LYS 7 14.257 -7.478 -6.525 22 HZ2 LYS 7 HZ2 LYS 7 13.425 -8.848 -6.857 23 HZ3 LYS 7 HZ3 LYS 7 15.058 -8.906 -6.673 24 H ARG 8 H ARG 8 17.591 -1.416 -7.903 25 HA ARG 8 HA ARG 8 20.087 -1.275 -9.297 26 HB2 ARG 8 HB2 ARG 8 18.858 0.744 -7.395 27 HB3 ARG 8 HB3 ARG 8 20.009 1.077 -8.712 28 HG2 ARG 8 HG2 ARG 8 18.330 0.372 -10.357 29 HG3 ARG 8 HG3 ARG 8 17.186 0.072 -9.021 30 HD2 ARG 8 HD2 ARG 8 18.433 2.742 -9.790 31 HD3 ARG 8 HD3 ARG 8 16.738 2.283 -9.984 32 HE ARG 8 HE ARG 8 18.120 3.083 -7.516 33 HH11 ARG 8 HH11 ARG 8 15.200 1.588 -8.879 34 HH12 ARG 8 HH12 ARG 8 14.249 1.917 -7.454 35 HH21 ARG 8 HH21 ARG 8 16.865 3.420 -5.676 36 HH22 ARG 8 HH22 ARG 8 15.179 2.930 -5.647 37 H LYS 9 H LYS 9 22.049 -0.142 -8.318 38 HA LYS 9 HA LYS 9 22.998 -1.591 -6.014 39 HB2 LYS 9 HB2 LYS 9 24.203 0.693 -7.622 40 HB3 LYS 9 HB3 LYS 9 25.072 -0.316 -6.447 41 HG2 LYS 9 HG2 LYS 9 24.607 -2.330 -7.796 42 HG3 LYS 9 HG3 LYS 9 23.716 -1.348 -8.985 43 HD2 LYS 9 HD2 LYS 9 25.720 -0.039 -9.466 44 HD3 LYS 9 HD3 LYS 9 26.606 -0.918 -8.196 45 HE2 LYS 9 HE2 LYS 9 26.284 -3.038 -9.438 46 HE3 LYS 9 HE3 LYS 9 25.374 -2.179 -10.689 47 HZ1 LYS 9 HZ1 LYS 9 28.198 -1.704 -9.993 48 HZ2 LYS 9 HZ2 LYS 9 27.661 -2.522 -11.316 49 HZ3 LYS 9 HZ3 LYS 9 27.357 -0.912 -11.165 50 H ASP 10 H ASP 10 20.753 0.599 -5.901 51 HA ASP 10 HA ASP 10 21.754 1.689 -3.346 52 HB2 ASP 10 HB2 ASP 10 20.760 3.872 -3.847 53 HB3 ASP 10 HB3 ASP 10 21.910 3.423 -5.126 54 H ALA 11 H ALA 11 19.793 -0.380 -4.613 55 HA ALA 11 HA ALA 11 17.190 0.400 -3.557 56 HB1 ALA 11 HB1 ALA 11 16.489 -1.809 -4.381 57 HB2 ALA 11 HB2 ALA 11 17.420 -0.927 -5.616 58 HB3 ALA 11 HB3 ALA 11 18.183 -2.241 -4.689 59 H SER 12 H SER 12 15.955 -1.142 -2.169 60 HA SER 12 HA SER 12 17.515 -2.550 -0.106 61 HB2 SER 12 HB2 SER 12 17.035 -1.119 1.613 62 HB3 SER 12 HB3 SER 12 16.953 0.073 0.302 63 HG SER 12 HG SER 12 15.113 0.128 1.651 64 HA PRO 13 HA PRO 13 13.982 -5.178 -0.199 65 HB2 PRO 13 HB2 PRO 13 13.349 -5.785 2.383 66 HB3 PRO 13 HB3 PRO 13 14.960 -6.231 1.719 67 HG2 PRO 13 HG2 PRO 13 14.257 -3.700 3.274 68 HG3 PRO 13 HG3 PRO 13 15.522 -4.919 3.686 69 HD2 PRO 13 HD2 PRO 13 16.165 -2.717 2.274 70 HD3 PRO 13 HD3 PRO 13 16.820 -4.300 1.750 71 H GLU 14 H GLU 14 13.712 -2.370 1.912 72 HA GLU 14 HA GLU 14 10.793 -2.355 1.926 73 HB2 GLU 14 HB2 GLU 14 12.909 -0.295 2.689 74 HB3 GLU 14 HB3 GLU 14 11.158 -0.102 2.923 75 HG2 GLU 14 HG2 GLU 14 11.133 -2.138 4.343 76 HG3 GLU 14 HG3 GLU 14 12.891 -2.255 4.165 77 H GLN 15 H GLN 15 13.454 -0.997 0.007 78 HA GLN 15 HA GLN 15 11.886 0.935 -1.429 79 HB2 GLN 15 HB2 GLN 15 14.617 -0.151 -1.426 80 HB3 GLN 15 HB3 GLN 15 14.014 0.062 -3.079 81 HG2 GLN 15 HG2 GLN 15 14.974 2.136 -2.502 82 HG3 GLN 15 HG3 GLN 15 13.213 2.351 -2.363 83 HE21 GLN 15 HE22 GLN 15 12.373 1.708 -0.015 84 HE22 GLN 15 HE21 GLN 15 13.359 2.214 1.339 85 H GLU 16 H GLU 16 12.414 -2.495 -1.747 86 HA GLU 16 HA GLU 16 11.494 -2.521 -4.485 87 HB2 GLU 16 HB2 GLU 16 11.850 -4.768 -2.443 88 HB3 GLU 16 HB3 GLU 16 11.285 -5.050 -4.101 89 HG2 GLU 16 HG2 GLU 16 13.305 -3.914 -4.969 90 HG3 GLU 16 HG3 GLU 16 13.941 -3.784 -3.327 91 H ALA 17 H ALA 17 9.949 -2.387 -1.440 92 HA ALA 17 HA ALA 17 7.320 -3.152 -2.632 93 HB1 ALA 17 HB1 ALA 17 8.147 -2.745 0.265 94 HB2 ALA 17 HB2 ALA 17 6.548 -3.282 -0.309 95 HB3 ALA 17 HB3 ALA 17 7.977 -4.308 -0.568 96 H ILE 18 H ILE 18 9.142 -0.421 -1.309 97 HA ILE 18 HA ILE 18 6.779 1.281 -1.044 98 HB ILE 18 HB ILE 18 9.767 1.689 -0.775 99 HG12 ILE 18 HG12 ILE 18 7.509 1.975 1.257 100 HG13 ILE 18 HG13 ILE 18 8.353 0.455 0.979 101 HG21 ILE 18 HG21 ILE 18 7.558 3.762 -0.488 102 HG22 ILE 18 HG22 ILE 18 9.236 3.986 0.062 103 HG23 ILE 18 HG23 ILE 18 8.895 3.789 -1.658 104 HD11 ILE 18 HD11 ILE 18 10.526 1.587 1.529 105 HD12 ILE 18 HD12 ILE 18 9.612 3.058 1.947 106 HD13 ILE 18 HD13 ILE 18 9.379 1.557 2.874 107 H GLU 19 H GLU 19 9.355 0.744 -3.509 108 HA GLU 19 HA GLU 19 8.608 3.127 -4.962 109 HB2 GLU 19 HB2 GLU 19 10.238 0.675 -5.722 110 HB3 GLU 19 HB3 GLU 19 9.971 2.065 -6.795 111 HG2 GLU 19 HG2 GLU 19 10.940 3.582 -5.110 112 HG3 GLU 19 HG3 GLU 19 11.221 2.225 -4.015 113 H SER 20 H SER 20 7.210 -0.066 -4.727 114 HA SER 20 HA SER 20 5.672 0.292 -7.219 115 HB2 SER 20 HB2 SER 20 5.867 -1.895 -5.110 116 HB3 SER 20 HB3 SER 20 4.813 -1.963 -6.534 117 HG SER 20 HG SER 20 6.863 -2.986 -6.863 118 H PHE 21 H PHE 21 5.393 0.761 -3.734 119 HA PHE 21 HA PHE 21 2.496 0.789 -3.690 120 HB2 PHE 21 HB2 PHE 21 4.080 0.391 -1.754 121 HB3 PHE 21 HB3 PHE 21 4.532 2.055 -1.809 122 HD1 PHE 21 HD1 PHE 21 2.357 3.759 -1.761 123 HD2 PHE 21 HD2 PHE 21 2.467 -0.234 -0.152 124 HE1 PHE 21 HE1 PHE 21 0.418 4.277 -0.320 125 HE2 PHE 21 HE2 PHE 21 0.531 0.296 1.281 126 HZ PHE 21 HZ PHE 21 -0.513 2.541 1.191 127 H THR 22 H THR 22 5.105 3.194 -3.798 128 HA THR 22 HA THR 22 3.370 5.500 -4.025 129 HB THR 22 HB THR 22 6.176 5.471 -5.078 130 HG1 THR 22 HG1 THR 22 6.372 4.313 -3.168 131 HG21 THR 22 HG21 THR 22 6.280 7.646 -3.863 132 HG22 THR 22 HG22 THR 22 4.927 7.613 -5.015 133 HG23 THR 22 HG23 THR 22 4.631 7.390 -3.271 134 H SER 23 H SER 23 4.119 3.020 -6.232 135 HA SER 23 HA SER 23 3.898 4.785 -8.578 136 HB2 SER 23 HB2 SER 23 4.292 1.820 -8.188 137 HB3 SER 23 HB3 SER 23 4.045 2.523 -9.792 138 HG SER 23 HG SER 23 6.219 2.896 -8.049 139 H LEU 24 H LEU 24 1.976 2.721 -6.527 140 HA LEU 24 HA LEU 24 -0.258 2.650 -8.489 141 HB2 LEU 24 HB2 LEU 24 0.426 1.001 -6.029 142 HB3 LEU 24 HB3 LEU 24 -1.119 0.904 -6.888 143 HG LEU 24 HG LEU 24 1.605 0.413 -8.191 144 HD11 LEU 24 HD11 LEU 24 0.964 -1.974 -8.151 145 HD12 LEU 24 HD12 LEU 24 1.127 -1.313 -6.513 146 HD13 LEU 24 HD13 LEU 24 -0.494 -1.566 -7.218 147 HD21 LEU 24 HD21 LEU 24 0.228 -0.626 -9.989 148 HD22 LEU 24 HD22 LEU 24 -1.243 -0.097 -9.139 149 HD23 LEU 24 HD23 LEU 24 -0.110 1.102 -9.814 150 H THR 25 H THR 25 0.873 4.243 -5.719 151 HA THR 25 HA THR 25 -1.792 5.508 -5.431 152 HB THR 25 HB THR 25 -1.370 5.888 -3.063 153 HG1 THR 25 HG1 THR 25 0.988 4.378 -3.451 154 HG21 THR 25 HG21 THR 25 -2.481 3.762 -3.670 155 HG22 THR 25 HG22 THR 25 -0.896 2.958 -3.737 156 HG23 THR 25 HG23 THR 25 -1.503 3.603 -2.193 157 H LYS 26 H LYS 26 -1.332 7.834 -4.356 158 HA LYS 26 HA LYS 26 1.152 8.907 -5.609 159 HB2 LYS 26 HB2 LYS 26 -1.625 10.141 -5.644 160 HB3 LYS 26 HB3 LYS 26 -0.154 10.945 -6.213 161 HG2 LYS 26 HG2 LYS 26 -1.302 8.345 -7.319 162 HG3 LYS 26 HG3 LYS 26 -1.453 9.935 -8.071 163 HD2 LYS 26 HD2 LYS 26 1.188 8.488 -7.576 164 HD3 LYS 26 HD3 LYS 26 0.339 8.561 -9.118 165 HE2 LYS 26 HE2 LYS 26 0.520 11.042 -9.095 166 HE3 LYS 26 HE3 LYS 26 1.391 10.956 -7.556 167 HZ1 LYS 26 HZ1 LYS 26 2.890 11.127 -9.407 168 HZ2 LYS 26 HZ2 LYS 26 3.098 9.681 -8.654 169 HZ3 LYS 26 HZ3 LYS 26 2.293 9.756 -10.088 170 H CYS 27 H CYS 27 0.516 8.015 -2.862 171 HA CYS 27 HA CYS 27 0.632 10.458 -1.265 172 HB2 CYS 27 HB2 CYS 27 -0.400 8.184 -0.638 173 HB3 CYS 27 HB3 CYS 27 1.265 7.637 -0.343 174 HG CYS 27 HG CYS 27 0.099 8.280 1.921 175 H ASP 28 H ASP 28 2.537 9.992 0.573 176 HA ASP 28 HA ASP 28 5.030 10.429 -0.943 177 HB2 ASP 28 HB2 ASP 28 4.190 12.004 0.814 178 HB3 ASP 28 HB3 ASP 28 4.468 10.749 2.028 179 HA PRO 29 HA PRO 29 6.616 6.376 -0.234 180 HB2 PRO 29 HB2 PRO 29 9.165 7.825 0.501 181 HB3 PRO 29 HB3 PRO 29 8.967 6.400 -0.553 182 HG2 PRO 29 HG2 PRO 29 9.296 8.845 -1.670 183 HG3 PRO 29 HG3 PRO 29 7.934 7.829 -2.273 184 HD2 PRO 29 HD2 PRO 29 7.865 9.998 -0.145 185 HD3 PRO 29 HD3 PRO 29 6.802 9.850 -1.571 186 H LYS 30 H LYS 30 7.160 8.930 2.150 187 HA LYS 30 HA LYS 30 8.204 7.286 4.190 188 HB2 LYS 30 HB2 LYS 30 8.138 9.901 3.777 189 HB3 LYS 30 HB3 LYS 30 6.605 9.839 4.662 190 HG2 LYS 30 HG2 LYS 30 8.197 10.362 6.279 191 HG3 LYS 30 HG3 LYS 30 7.822 8.646 6.530 192 HD2 LYS 30 HD2 LYS 30 9.866 8.038 5.232 193 HD3 LYS 30 HD3 LYS 30 10.213 9.773 4.995 194 HE2 LYS 30 HE2 LYS 30 10.140 10.101 7.447 195 HE3 LYS 30 HE3 LYS 30 9.911 8.364 7.671 196 HZ1 LYS 30 HZ1 LYS 30 12.061 8.016 6.620 197 HZ2 LYS 30 HZ2 LYS 30 12.271 9.634 6.415 198 HZ3 LYS 30 HZ3 LYS 30 12.226 8.993 7.928 199 H VAL 31 H VAL 31 4.963 7.924 3.037 200 HA VAL 31 HA VAL 31 3.630 6.799 5.412 201 HB VAL 31 HB VAL 31 2.613 7.759 2.707 202 HG11 VAL 31 HG11 VAL 31 0.376 7.729 3.792 203 HG12 VAL 31 HG12 VAL 31 1.062 6.110 3.626 204 HG13 VAL 31 HG13 VAL 31 1.090 6.928 5.211 205 HG21 VAL 31 HG21 VAL 31 2.546 9.002 5.489 206 HG22 VAL 31 HG22 VAL 31 3.544 9.555 4.128 207 HG23 VAL 31 HG23 VAL 31 1.777 9.675 4.032 208 H SER 32 H SER 32 4.867 5.767 2.262 209 HA SER 32 HA SER 32 3.261 3.407 2.017 210 HB2 SER 32 HB2 SER 32 6.055 3.972 0.956 211 HB3 SER 32 HB3 SER 32 4.915 2.750 0.351 212 HG SER 32 HG SER 32 4.900 4.715 -0.868 213 H ARG 33 H ARG 33 6.411 4.115 3.572 214 HA ARG 33 HA ARG 33 7.115 1.450 4.302 215 HB2 ARG 33 HB2 ARG 33 8.752 3.172 4.425 216 HB3 ARG 33 HB3 ARG 33 7.699 4.233 5.365 217 HG2 ARG 33 HG2 ARG 33 7.895 2.847 7.335 218 HG3 ARG 33 HG3 ARG 33 8.772 1.593 6.441 219 HD2 ARG 33 HD2 ARG 33 9.743 4.455 6.796 220 HD3 ARG 33 HD3 ARG 33 10.235 3.102 7.823 221 HE ARG 33 HE ARG 33 11.092 2.000 5.722 222 HH11 ARG 33 HH11 ARG 33 10.863 5.526 5.880 223 HH12 ARG 33 HH12 ARG 33 12.138 5.762 4.705 224 HH21 ARG 33 HH21 ARG 33 12.729 2.325 4.278 225 HH22 ARG 33 HH22 ARG 33 13.203 3.939 3.780 226 H LYS 34 H LYS 34 5.062 3.913 5.824 227 HA LYS 34 HA LYS 34 4.678 2.441 8.287 228 HB2 LYS 34 HB2 LYS 34 4.560 4.835 8.329 229 HB3 LYS 34 HB3 LYS 34 3.462 4.877 6.942 230 HG2 LYS 34 HG2 LYS 34 1.651 3.923 8.280 231 HG3 LYS 34 HG3 LYS 34 2.723 3.835 9.701 232 HD2 LYS 34 HD2 LYS 34 2.976 6.259 9.716 233 HD3 LYS 34 HD3 LYS 34 2.152 6.401 8.154 234 HE2 LYS 34 HE2 LYS 34 0.629 7.027 9.950 235 HE3 LYS 34 HE3 LYS 34 0.071 5.565 9.125 236 HZ1 LYS 34 HZ1 LYS 34 -0.089 5.380 11.517 237 HZ2 LYS 34 HZ2 LYS 34 0.980 4.274 10.937 238 HZ3 LYS 34 HZ3 LYS 34 1.527 5.629 11.693 239 H TYR 35 H TYR 35 3.035 2.596 5.155 240 HA TYR 35 HA TYR 35 0.806 0.968 6.183 241 HB2 TYR 35 HB2 TYR 35 1.309 2.590 3.730 242 HB3 TYR 35 HB3 TYR 35 0.313 1.160 3.529 243 HD1 TYR 35 HD2 TYR 35 -1.824 0.870 4.648 244 HD2 TYR 35 HD1 TYR 35 0.469 4.487 5.066 245 HE1 TYR 35 HE2 TYR 35 -3.843 2.050 5.468 246 HE2 TYR 35 HE1 TYR 35 -1.556 5.684 5.850 247 HH TYR 35 HH TYR 35 -3.787 5.520 6.369 248 H LEU 36 H LEU 36 3.776 0.087 5.758 249 HA LEU 36 HA LEU 36 2.926 -2.555 4.645 250 HB2 LEU 36 HB2 LEU 36 5.540 -1.014 4.309 251 HB3 LEU 36 HB3 LEU 36 5.422 -2.749 3.987 252 HG LEU 36 HG LEU 36 3.603 -0.747 2.608 253 HD11 LEU 36 HD11 LEU 36 5.145 -0.844 0.697 254 HD12 LEU 36 HD12 LEU 36 5.978 -0.173 2.120 255 HD13 LEU 36 HD13 LEU 36 6.271 -1.858 1.632 256 HD21 LEU 36 HD21 LEU 36 3.338 -2.562 1.003 257 HD22 LEU 36 HD22 LEU 36 4.554 -3.546 1.853 258 HD23 LEU 36 HD23 LEU 36 3.000 -3.188 2.632 259 H GLN 37 H GLN 37 4.556 -0.686 7.114 260 HA GLN 37 HA GLN 37 5.630 -2.901 8.592 261 HB2 GLN 37 HB2 GLN 37 5.376 0.009 8.763 262 HB3 GLN 37 HB3 GLN 37 5.244 -0.777 10.363 263 HG2 GLN 37 HG2 GLN 37 7.392 -1.749 10.157 264 HG3 GLN 37 HG3 GLN 37 7.335 -1.645 8.388 265 HE21 GLN 37 HE22 GLN 37 9.567 -0.827 8.791 266 HE22 GLN 37 HE21 GLN 37 9.698 0.917 8.834 267 H ARG 38 H ARG 38 2.585 -2.542 7.731 268 HA ARG 38 HA ARG 38 1.467 -3.477 10.317 269 HB2 ARG 38 HB2 ARG 38 -0.613 -2.223 9.757 270 HB3 ARG 38 HB3 ARG 38 0.793 -1.188 10.071 271 HG2 ARG 38 HG2 ARG 38 1.101 -0.918 7.613 272 HG3 ARG 38 HG3 ARG 38 -0.355 -1.906 7.341 273 HD2 ARG 38 HD2 ARG 38 -0.248 0.705 8.911 274 HD3 ARG 38 HD3 ARG 38 -0.855 0.521 7.256 275 HE ARG 38 HE ARG 38 -2.752 -0.643 8.037 276 HH11 ARG 38 HH11 ARG 38 -0.714 0.518 10.688 277 HH12 ARG 38 HH12 ARG 38 -1.942 0.230 11.897 278 HH21 ARG 38 HH21 ARG 38 -4.278 -1.079 9.634 279 HH22 ARG 38 HH22 ARG 38 -3.961 -0.648 11.304 280 H ASN 39 H ASN 39 2.401 -4.740 7.616 281 HA ASN 39 HA ASN 39 0.249 -6.694 7.503 282 HB2 ASN 39 HB2 ASN 39 -0.123 -6.266 4.989 283 HB3 ASN 39 HB3 ASN 39 -0.758 -5.004 6.076 284 HD21 ASN 39 HD22 ASN 39 -0.363 -3.029 5.719 285 HD22 ASN 39 HD21 ASN 39 1.019 -2.390 4.860 286 H HIS 40 H HIS 40 3.176 -6.556 8.004 287 HA HIS 40 HA HIS 40 4.997 -7.816 7.594 288 HB2 HIS 40 HB2 HIS 40 3.306 -9.718 5.991 289 HB3 HIS 40 HB3 HIS 40 4.687 -10.071 7.032 290 HD2 HIS 40 HD2 HIS 40 3.319 -8.187 9.523 291 HE1 HIS 40 HE1 HIS 40 0.467 -11.339 9.545 292 HE2 HIS 40 HE2 HIS 40 1.422 -9.388 10.870 293 H TRP 41 H TRP 41 4.243 -5.704 5.660 294 HA TRP 41 HA TRP 41 5.017 -4.800 3.771 295 HB2 TRP 41 HB2 TRP 41 7.291 -6.730 4.269 296 HB3 TRP 41 HB3 TRP 41 7.307 -5.473 3.047 297 HD1 TRP 41 HD1 TRP 41 7.020 -5.756 6.865 298 HE1 TRP 41 HE1 TRP 41 7.857 -3.569 7.914 299 HE3 TRP 41 HE3 TRP 41 7.922 -3.240 2.616 300 HZ2 TRP 41 HZ2 TRP 41 8.610 -0.885 6.947 301 HZ3 TRP 41 HZ3 TRP 41 8.769 -0.882 2.644 302 HH2 TRP 41 HH2 TRP 41 9.115 0.283 4.804 303 H ASN 42 H ASN 42 2.986 -6.757 3.357 304 HA ASN 42 HA ASN 42 3.675 -7.781 0.653 305 HB2 ASN 42 HB2 ASN 42 1.395 -8.242 2.622 306 HB3 ASN 42 HB3 ASN 42 1.286 -8.681 0.917 307 HD21 ASN 42 HD22 ASN 42 2.483 -10.390 0.059 308 HD22 ASN 42 HD21 ASN 42 3.356 -11.516 1.074 309 H ILE 43 H ILE 43 3.316 -6.361 -1.001 310 HA ILE 43 HA ILE 43 1.743 -3.989 -0.585 311 HB ILE 43 HB ILE 43 3.258 -5.245 -2.849 312 HG12 ILE 43 HG12 ILE 43 4.194 -3.692 -1.047 313 HG13 ILE 43 HG13 ILE 43 4.499 -3.149 -2.713 314 HG21 ILE 43 HG21 ILE 43 1.262 -2.972 -3.237 315 HG22 ILE 43 HG22 ILE 43 2.553 -3.402 -4.380 316 HG23 ILE 43 HG23 ILE 43 1.247 -4.557 -4.041 317 HD11 ILE 43 HD11 ILE 43 2.163 -2.135 -1.075 318 HD12 ILE 43 HD12 ILE 43 3.793 -1.427 -1.082 319 HD13 ILE 43 HD13 ILE 43 2.837 -1.479 -2.589 320 H ASN 44 H ASN 44 0.886 -7.219 -1.368 321 HA ASN 44 HA ASN 44 -1.593 -6.418 -2.738 322 HB2 ASN 44 HB2 ASN 44 -0.541 -9.132 -1.832 323 HB3 ASN 44 HB3 ASN 44 -1.990 -8.881 -2.816 324 HD21 ASN 44 HD22 ASN 44 0.449 -10.398 -3.488 325 HD22 ASN 44 HD21 ASN 44 1.079 -9.661 -4.948 326 H TYR 45 H TYR 45 -0.569 -6.376 0.394 327 HA TYR 45 HA TYR 45 -3.312 -6.698 1.483 328 HB2 TYR 45 HB2 TYR 45 -0.656 -7.797 2.449 329 HB3 TYR 45 HB3 TYR 45 -1.988 -7.573 3.557 330 HD1 TYR 45 HD1 TYR 45 -4.123 -8.867 3.244 331 HD2 TYR 45 HD2 TYR 45 -0.611 -9.624 0.886 332 HE1 TYR 45 HE1 TYR 45 -5.046 -11.076 2.591 333 HE2 TYR 45 HE2 TYR 45 -1.524 -11.838 0.223 334 HH TYR 45 HH TYR 45 -4.712 -12.999 1.395 335 H ALA 46 H ALA 46 -1.244 -4.493 0.585 336 HA ALA 46 HA ALA 46 -1.343 -2.889 3.105 337 HB1 ALA 46 HB1 ALA 46 0.675 -2.963 0.831 338 HB2 ALA 46 HB2 ALA 46 0.704 -1.789 2.154 339 HB3 ALA 46 HB3 ALA 46 0.932 -3.528 2.502 340 H LEU 47 H LEU 47 -1.678 -2.930 -0.458 341 HA LEU 47 HA LEU 47 -2.271 -0.119 -0.688 342 HB2 LEU 47 HB2 LEU 47 -2.759 -2.569 -2.431 343 HB3 LEU 47 HB3 LEU 47 -3.188 -0.923 -2.939 344 HG LEU 47 HG LEU 47 -0.385 -1.826 -2.189 345 HD11 LEU 47 HD11 LEU 47 -1.686 -1.222 -4.879 346 HD12 LEU 47 HD12 LEU 47 0.032 -1.608 -4.620 347 HD13 LEU 47 HD13 LEU 47 -1.213 -2.834 -4.291 348 HD21 LEU 47 HD21 LEU 47 -1.452 0.781 -3.353 349 HD22 LEU 47 HD22 LEU 47 -0.687 0.573 -1.760 350 HD23 LEU 47 HD23 LEU 47 0.273 0.346 -3.227 351 H ASN 48 H ASN 48 -4.169 -3.007 0.047 352 HA ASN 48 HA ASN 48 -6.745 -1.871 -0.490 353 HB2 ASN 48 HB2 ASN 48 -6.111 -4.037 1.547 354 HB3 ASN 48 HB3 ASN 48 -7.601 -3.823 0.603 355 HD21 ASN 48 HD22 ASN 48 -4.211 -4.748 0.596 356 HD22 ASN 48 HD21 ASN 48 -4.186 -5.532 -0.973 357 H ASP 49 H ASP 49 -4.609 -1.979 2.356 358 HA ASP 49 HA ASP 49 -6.559 -0.891 4.179 359 HB2 ASP 49 HB2 ASP 49 -4.172 -2.055 4.565 360 HB3 ASP 49 HB3 ASP 49 -3.615 -0.387 4.538 361 H TYR 50 H TYR 50 -4.422 0.499 1.789 362 HA TYR 50 HA TYR 50 -4.793 3.246 2.733 363 HB2 TYR 50 HB2 TYR 50 -2.729 2.448 1.658 364 HB3 TYR 50 HB3 TYR 50 -3.607 2.098 0.178 365 HD1 TYR 50 HD1 TYR 50 -2.254 4.784 2.316 366 HD2 TYR 50 HD2 TYR 50 -4.385 3.845 -1.300 367 HE1 TYR 50 HE1 TYR 50 -1.917 7.105 1.523 368 HE2 TYR 50 HE2 TYR 50 -4.072 6.170 -2.099 369 HH TYR 50 HH TYR 50 -2.359 8.638 -0.145 370 H TYR 51 H TYR 51 -6.168 1.033 0.328 371 HA TYR 51 HA TYR 51 -7.859 3.067 -0.881 372 HB2 TYR 51 HB2 TYR 51 -7.930 0.031 -1.023 373 HB3 TYR 51 HB3 TYR 51 -8.879 1.118 -2.038 374 HD1 TYR 51 HD1 TYR 51 -6.707 3.239 -2.462 375 HD2 TYR 51 HD2 TYR 51 -6.653 -1.058 -2.747 376 HE1 TYR 51 HE1 TYR 51 -4.856 3.384 -4.082 377 HE2 TYR 51 HE2 TYR 51 -4.806 -0.920 -4.393 378 HH TYR 51 HH TYR 51 -3.426 2.206 -5.459 379 H ASP 52 H ASP 52 -7.963 1.508 2.113 380 HA ASP 52 HA ASP 52 -10.926 1.630 2.280 381 HB2 ASP 52 HB2 ASP 52 -8.715 0.559 4.069 382 HB3 ASP 52 HB3 ASP 52 -10.396 0.650 4.566 383 H LYS 53 H LYS 53 -7.998 3.336 3.171 384 HA LYS 53 HA LYS 53 -9.521 4.917 5.208 385 HB2 LYS 53 HB2 LYS 53 -6.628 4.039 5.217 386 HB3 LYS 53 HB3 LYS 53 -7.422 5.037 6.449 387 HG2 LYS 53 HG2 LYS 53 -8.981 3.230 6.986 388 HG3 LYS 53 HG3 LYS 53 -8.289 2.211 5.700 389 HD2 LYS 53 HD2 LYS 53 -6.076 2.344 6.783 390 HD3 LYS 53 HD3 LYS 53 -6.794 3.293 8.110 391 HE2 LYS 53 HE2 LYS 53 -8.274 1.428 8.687 392 HE3 LYS 53 HE3 LYS 53 -7.717 0.511 7.276 393 HZ1 LYS 53 HZ1 LYS 53 -5.542 0.448 8.228 394 HZ2 LYS 53 HZ2 LYS 53 -6.034 1.309 9.549 395 HZ3 LYS 53 HZ3 LYS 53 -6.631 -0.202 9.279 396 H GLU 54 H GLU 54 -7.677 5.132 2.271 397 HA GLU 54 HA GLU 54 -7.453 8.071 2.652 398 HB2 GLU 54 HB2 GLU 54 -5.286 6.237 1.571 399 HB3 GLU 54 HB3 GLU 54 -5.194 7.999 1.619 400 HG2 GLU 54 HG2 GLU 54 -5.393 6.181 4.058 401 HG3 GLU 54 HG3 GLU 54 -3.927 6.948 3.454 402 H ILE 55 H ILE 55 -9.045 5.860 0.959 403 HA ILE 55 HA ILE 55 -8.257 6.301 -1.726 404 HB ILE 55 HB ILE 55 -9.543 4.388 -0.941 405 HG12 ILE 55 HG12 ILE 55 -11.020 5.988 -3.053 406 HG13 ILE 55 HG13 ILE 55 -9.514 5.088 -3.317 407 HG21 ILE 55 HG21 ILE 55 -11.886 6.323 -0.690 408 HG22 ILE 55 HG22 ILE 55 -11.943 4.561 -0.449 409 HG23 ILE 55 HG23 ILE 55 -11.016 5.571 0.666 410 HD11 ILE 55 HD11 ILE 55 -12.181 3.886 -2.461 411 HD12 ILE 55 HD12 ILE 55 -11.421 3.757 -4.061 412 HD13 ILE 55 HD13 ILE 55 -10.658 2.982 -2.659 413 H GLY 56 H GLY 56 -9.182 7.612 -3.371 414 HA2 GLY 56 HA2 GLY 56 -9.915 10.256 -2.389 415 HA3 GLY 56 HA3 GLY 56 -9.547 9.791 -4.059 416 H THR 57 H THR 57 -11.807 7.544 -3.165 417 HA THR 57 HA THR 57 -14.193 9.203 -3.447 418 HB THR 57 HB THR 57 -13.359 9.064 -5.775 419 HG1 THR 57 HG1 THR 57 -15.298 8.240 -6.600 420 HG21 THR 57 HG21 THR 57 -13.735 6.051 -5.446 421 HG22 THR 57 HG22 THR 57 -13.352 6.904 -6.958 422 HG23 THR 57 HG23 THR 57 -12.175 6.886 -5.629 423 H PHE 58 H PHE 58 -16.181 7.794 -3.482 424 HA PHE 58 HA PHE 58 -15.695 5.093 -2.358 425 HB2 PHE 58 HB2 PHE 58 -15.829 6.838 -0.531 426 HB3 PHE 58 HB3 PHE 58 -17.497 7.139 -1.027 427 HD1 PHE 58 HD1 PHE 58 -15.145 4.529 0.196 428 HD2 PHE 58 HD2 PHE 58 -19.244 5.693 -0.318 429 HE1 PHE 58 HE1 PHE 58 -15.856 2.612 1.601 430 HE2 PHE 58 HE2 PHE 58 -19.967 3.798 1.124 431 HZ PHE 58 HZ PHE 58 -18.267 2.258 2.091 432 H THR 59 H THR 59 -17.305 6.957 -4.556 433 HA THR 59 HA THR 59 -19.298 4.842 -5.049 434 HB THR 59 HB THR 59 -20.474 6.366 -3.549 435 HG1 THR 59 HG1 THR 59 -22.196 6.748 -4.945 436 HG21 THR 59 HG21 THR 59 -19.223 8.444 -3.995 437 HG22 THR 59 HG22 THR 59 -19.896 8.510 -5.642 438 HG23 THR 59 HG23 THR 59 -20.965 8.681 -4.229 439 H ASP 60 H ASP 60 -20.312 5.029 -7.147 440 HA ASP 60 HA ASP 60 -19.020 6.860 -9.059 441 HB2 ASP 60 HB2 ASP 60 -17.653 4.743 -8.937 442 HB3 ASP 60 HB3 ASP 60 -19.088 3.839 -9.438 443 H GLU 61 H GLU 61 -21.741 6.251 -7.755 444 HA GLU 61 HA GLU 61 -23.239 5.851 -10.280 445 HB2 GLU 61 HB2 GLU 61 -24.167 5.564 -7.396 446 HB3 GLU 61 HB3 GLU 61 -25.171 5.285 -8.827 447 HG2 GLU 61 HG2 GLU 61 -22.661 3.738 -8.063 448 HG3 GLU 61 HG3 GLU 61 -24.324 3.170 -7.891 449 H VAL 62 H VAL 62 -22.026 8.355 -8.618 450 HA VAL 62 HA VAL 62 -24.248 10.160 -9.390 451 HB VAL 62 HB VAL 62 -23.897 11.471 -7.321 452 HG11 VAL 62 HG11 VAL 62 -24.693 8.576 -6.794 453 HG12 VAL 62 HG12 VAL 62 -25.138 9.983 -5.816 454 HG13 VAL 62 HG13 VAL 62 -25.752 9.839 -7.475 455 HG21 VAL 62 HG21 VAL 62 -22.259 9.064 -6.406 456 HG22 VAL 62 HG22 VAL 62 -21.620 10.686 -6.754 457 HG23 VAL 62 HG23 VAL 62 -22.751 10.451 -5.404 Start of MODEL 2 1 HA ILE 6 HA ILE 6 18.015 -4.261 -4.824 2 HB ILE 6 HB ILE 6 18.360 -7.275 -5.104 3 HG12 ILE 6 HG12 ILE 6 16.248 -5.623 -3.653 4 HG13 ILE 6 HG13 ILE 6 15.980 -6.586 -5.116 5 HG21 ILE 6 HG21 ILE 6 18.608 -5.427 -2.690 6 HG22 ILE 6 HG22 ILE 6 18.690 -7.207 -2.637 7 HG23 ILE 6 HG23 ILE 6 19.941 -6.311 -3.482 8 HD11 ILE 6 HD11 ILE 6 16.627 -8.642 -3.840 9 HD12 ILE 6 HD12 ILE 6 16.691 -7.652 -2.358 10 HD13 ILE 6 HD13 ILE 6 15.164 -7.831 -3.238 11 H LYS 7 H LYS 7 19.114 -5.033 -7.827 12 HA LYS 7 HA LYS 7 21.958 -5.330 -7.203 13 HB2 LYS 7 HB2 LYS 7 20.485 -4.924 -9.838 14 HB3 LYS 7 HB3 LYS 7 22.215 -5.286 -9.677 15 HG2 LYS 7 HG2 LYS 7 21.656 -7.406 -8.508 16 HG3 LYS 7 HG3 LYS 7 19.924 -7.063 -8.726 17 HD2 LYS 7 HD2 LYS 7 20.238 -7.034 -11.182 18 HD3 LYS 7 HD3 LYS 7 21.972 -7.380 -10.962 19 HE2 LYS 7 HE2 LYS 7 21.403 -9.496 -9.817 20 HE3 LYS 7 HE3 LYS 7 19.676 -9.155 -10.040 21 HZ1 LYS 7 HZ1 LYS 7 20.043 -9.208 -12.417 22 HZ2 LYS 7 HZ2 LYS 7 21.637 -9.532 -12.207 23 HZ3 LYS 7 HZ3 LYS 7 20.508 -10.627 -11.737 24 H ARG 8 H ARG 8 19.999 -2.764 -6.886 25 HA ARG 8 HA ARG 8 21.755 -0.723 -8.092 26 HB2 ARG 8 HB2 ARG 8 19.209 -0.562 -6.435 27 HB3 ARG 8 HB3 ARG 8 20.060 0.842 -7.124 28 HG2 ARG 8 HG2 ARG 8 19.743 0.025 -9.360 29 HG3 ARG 8 HG3 ARG 8 18.957 -1.447 -8.740 30 HD2 ARG 8 HD2 ARG 8 17.946 1.389 -8.261 31 HD3 ARG 8 HD3 ARG 8 17.344 0.320 -9.538 32 HE ARG 8 HE ARG 8 17.093 -1.181 -7.223 33 HH11 ARG 8 HH11 ARG 8 15.917 1.972 -8.305 34 HH12 ARG 8 HH12 ARG 8 14.451 1.876 -7.348 35 HH21 ARG 8 HH21 ARG 8 15.139 -1.282 -6.011 36 HH22 ARG 8 HH22 ARG 8 14.009 0.042 -6.104 37 H LYS 9 H LYS 9 22.571 1.066 -6.774 38 HA LYS 9 HA LYS 9 23.749 0.036 -4.261 39 HB2 LYS 9 HB2 LYS 9 25.390 1.759 -4.506 40 HB3 LYS 9 HB3 LYS 9 25.254 0.856 -6.027 41 HG2 LYS 9 HG2 LYS 9 23.910 2.630 -7.027 42 HG3 LYS 9 HG3 LYS 9 23.813 3.481 -5.459 43 HD2 LYS 9 HD2 LYS 9 26.255 3.685 -5.412 44 HD3 LYS 9 HD3 LYS 9 26.361 2.877 -6.987 45 HE2 LYS 9 HE2 LYS 9 26.493 5.330 -7.274 46 HE3 LYS 9 HE3 LYS 9 25.007 4.699 -8.004 47 HZ1 LYS 9 HZ1 LYS 9 24.584 6.667 -6.707 48 HZ2 LYS 9 HZ2 LYS 9 23.827 5.381 -6.019 49 HZ3 LYS 9 HZ3 LYS 9 25.206 5.970 -5.354 50 H ASP 10 H ASP 10 20.982 1.506 -4.892 51 HA ASP 10 HA ASP 10 21.090 3.042 -2.362 52 HB2 ASP 10 HB2 ASP 10 19.914 3.928 -5.027 53 HB3 ASP 10 HB3 ASP 10 19.532 4.703 -3.487 54 H ALA 11 H ALA 11 20.000 0.366 -3.477 55 HA ALA 11 HA ALA 11 17.116 0.721 -2.881 56 HB1 ALA 11 HB1 ALA 11 17.655 -0.463 -4.936 57 HB2 ALA 11 HB2 ALA 11 18.655 -1.637 -4.032 58 HB3 ALA 11 HB3 ALA 11 16.891 -1.568 -3.784 59 H SER 12 H SER 12 16.035 -0.962 -1.624 60 HA SER 12 HA SER 12 17.556 -2.346 0.464 61 HB2 SER 12 HB2 SER 12 16.640 -1.104 2.302 62 HB3 SER 12 HB3 SER 12 17.175 0.116 1.157 63 HG SER 12 HG SER 12 15.065 0.502 1.924 64 HA PRO 13 HA PRO 13 14.072 -5.070 0.069 65 HB2 PRO 13 HB2 PRO 13 13.221 -5.698 2.582 66 HB3 PRO 13 HB3 PRO 13 14.850 -6.207 1.992 67 HG2 PRO 13 HG2 PRO 13 14.176 -3.694 3.574 68 HG3 PRO 13 HG3 PRO 13 15.364 -4.980 4.029 69 HD2 PRO 13 HD2 PRO 13 16.230 -2.813 2.743 70 HD3 PRO 13 HD3 PRO 13 16.761 -4.419 2.140 71 H GLU 14 H GLU 14 13.715 -2.290 2.188 72 HA GLU 14 HA GLU 14 10.817 -2.250 2.183 73 HB2 GLU 14 HB2 GLU 14 12.933 -0.160 2.841 74 HB3 GLU 14 HB3 GLU 14 11.193 0.015 3.145 75 HG2 GLU 14 HG2 GLU 14 11.211 -1.906 4.660 76 HG3 GLU 14 HG3 GLU 14 12.928 -2.170 4.326 77 H GLN 15 H GLN 15 13.460 -0.648 0.321 78 HA GLN 15 HA GLN 15 11.830 1.119 -1.126 79 HB2 GLN 15 HB2 GLN 15 14.435 0.887 -0.820 80 HB3 GLN 15 HB3 GLN 15 14.347 -0.165 -2.239 81 HG2 GLN 15 HG2 GLN 15 14.851 2.171 -2.848 82 HG3 GLN 15 HG3 GLN 15 13.263 1.693 -3.500 83 HE21 GLN 15 HE21 GLN 15 14.324 2.680 -0.208 84 HE22 GLN 15 HE22 GLN 15 13.194 4.007 -0.039 85 H GLU 16 H GLU 16 12.449 -2.347 -1.567 86 HA GLU 16 HA GLU 16 11.607 -2.412 -4.339 87 HB2 GLU 16 HB2 GLU 16 11.861 -4.533 -2.171 88 HB3 GLU 16 HB3 GLU 16 11.428 -4.900 -3.855 89 HG2 GLU 16 HG2 GLU 16 13.966 -3.412 -3.069 90 HG3 GLU 16 HG3 GLU 16 13.862 -5.169 -3.282 91 H ALA 17 H ALA 17 9.955 -2.483 -1.245 92 HA ALA 17 HA ALA 17 7.388 -3.175 -2.576 93 HB1 ALA 17 HB1 ALA 17 8.097 -2.763 0.350 94 HB2 ALA 17 HB2 ALA 17 6.525 -3.313 -0.281 95 HB3 ALA 17 HB3 ALA 17 7.968 -4.329 -0.486 96 H ILE 18 H ILE 18 9.148 -0.416 -1.281 97 HA ILE 18 HA ILE 18 6.770 1.237 -0.970 98 HB ILE 18 HB ILE 18 9.755 1.695 -0.769 99 HG12 ILE 18 HG12 ILE 18 7.530 1.961 1.300 100 HG13 ILE 18 HG13 ILE 18 8.390 0.446 1.010 101 HG21 ILE 18 HG21 ILE 18 7.534 3.750 -0.413 102 HG22 ILE 18 HG22 ILE 18 9.226 3.986 0.063 103 HG23 ILE 18 HG23 ILE 18 8.822 3.780 -1.644 104 HD11 ILE 18 HD11 ILE 18 10.553 1.585 1.547 105 HD12 ILE 18 HD12 ILE 18 9.644 3.064 1.944 106 HD13 ILE 18 HD13 ILE 18 9.409 1.587 2.899 107 H GLU 19 H GLU 19 9.204 0.700 -3.557 108 HA GLU 19 HA GLU 19 8.482 3.081 -5.006 109 HB2 GLU 19 HB2 GLU 19 9.812 0.472 -5.787 110 HB3 GLU 19 HB3 GLU 19 9.507 1.774 -6.954 111 HG2 GLU 19 HG2 GLU 19 10.805 3.350 -5.629 112 HG3 GLU 19 HG3 GLU 19 11.097 2.132 -4.381 113 H SER 20 H SER 20 7.199 -0.286 -4.995 114 HA SER 20 HA SER 20 5.459 0.187 -7.260 115 HB2 SER 20 HB2 SER 20 5.586 -1.962 -5.097 116 HB3 SER 20 HB3 SER 20 4.568 -2.028 -6.553 117 HG SER 20 HG SER 20 6.581 -3.113 -6.822 118 H PHE 21 H PHE 21 5.272 0.747 -3.790 119 HA PHE 21 HA PHE 21 2.379 0.822 -3.660 120 HB2 PHE 21 HB2 PHE 21 4.065 0.503 -1.747 121 HB3 PHE 21 HB3 PHE 21 4.460 2.168 -1.903 122 HD1 PHE 21 HD1 PHE 21 2.479 3.898 -1.610 123 HD2 PHE 21 HD2 PHE 21 2.304 -0.199 -0.313 124 HE1 PHE 21 HE1 PHE 21 0.545 4.433 -0.154 125 HE2 PHE 21 HE2 PHE 21 0.384 0.345 1.142 126 HZ PHE 21 HZ PHE 21 -0.512 2.654 1.212 127 H THR 22 H THR 22 4.989 3.244 -3.891 128 HA THR 22 HA THR 22 3.225 5.518 -4.160 129 HB THR 22 HB THR 22 6.032 5.507 -5.213 130 HG1 THR 22 HG1 THR 22 6.255 4.371 -3.283 131 HG21 THR 22 HG21 THR 22 4.475 7.430 -3.424 132 HG22 THR 22 HG22 THR 22 6.116 7.694 -4.026 133 HG23 THR 22 HG23 THR 22 4.754 7.631 -5.170 134 H SER 23 H SER 23 4.007 2.998 -6.305 135 HA SER 23 HA SER 23 3.819 4.677 -8.702 136 HB2 SER 23 HB2 SER 23 4.043 1.699 -8.245 137 HB3 SER 23 HB3 SER 23 3.918 2.413 -9.860 138 HG SER 23 HG SER 23 5.973 2.825 -7.961 139 H LEU 24 H LEU 24 1.767 2.962 -6.533 140 HA LEU 24 HA LEU 24 -0.486 2.949 -8.497 141 HB2 LEU 24 HB2 LEU 24 0.151 1.150 -6.127 142 HB3 LEU 24 HB3 LEU 24 -1.396 1.160 -6.984 143 HG LEU 24 HG LEU 24 1.317 0.583 -8.287 144 HD11 LEU 24 HD11 LEU 24 0.532 -1.748 -8.378 145 HD12 LEU 24 HD12 LEU 24 0.687 -1.172 -6.703 146 HD13 LEU 24 HD13 LEU 24 -0.922 -1.300 -7.449 147 HD21 LEU 24 HD21 LEU 24 -0.078 -0.268 -10.163 148 HD22 LEU 24 HD22 LEU 24 -1.542 0.288 -9.316 149 HD23 LEU 24 HD23 LEU 24 -0.342 1.466 -9.901 150 H THR 25 H THR 25 0.782 4.360 -5.684 151 HA THR 25 HA THR 25 -1.817 5.715 -5.276 152 HB THR 25 HB THR 25 -1.407 5.874 -2.882 153 HG1 THR 25 HG1 THR 25 0.865 4.275 -3.400 154 HG21 THR 25 HG21 THR 25 -2.633 3.874 -3.674 155 HG22 THR 25 HG22 THR 25 -1.094 2.985 -3.808 156 HG23 THR 25 HG23 THR 25 -1.674 3.523 -2.219 157 H LYS 26 H LYS 26 -1.431 7.989 -4.414 158 HA LYS 26 HA LYS 26 1.170 8.963 -5.497 159 HB2 LYS 26 HB2 LYS 26 -1.530 10.340 -5.539 160 HB3 LYS 26 HB3 LYS 26 -0.011 11.025 -6.146 161 HG2 LYS 26 HG2 LYS 26 -1.414 8.523 -7.182 162 HG3 LYS 26 HG3 LYS 26 -1.320 10.089 -7.995 163 HD2 LYS 26 HD2 LYS 26 1.031 8.230 -7.401 164 HD3 LYS 26 HD3 LYS 26 0.291 8.500 -8.973 165 HE2 LYS 26 HE2 LYS 26 0.916 10.901 -8.857 166 HE3 LYS 26 HE3 LYS 26 1.679 10.624 -7.286 167 HZ1 LYS 26 HZ1 LYS 26 3.279 10.561 -9.062 168 HZ2 LYS 26 HZ2 LYS 26 3.173 9.073 -8.361 169 HZ3 LYS 26 HZ3 LYS 26 2.473 9.349 -9.821 170 H CYS 27 H CYS 27 0.542 8.121 -2.715 171 HA CYS 27 HA CYS 27 0.810 10.612 -1.198 172 HB2 CYS 27 HB2 CYS 27 0.967 9.117 0.730 173 HB3 CYS 27 HB3 CYS 27 -0.380 8.611 -0.309 174 HG CYS 27 HG CYS 27 2.716 7.447 -0.199 175 H ASP 28 H ASP 28 2.778 10.332 0.553 176 HA ASP 28 HA ASP 28 5.203 10.476 -1.047 177 HB2 ASP 28 HB2 ASP 28 4.568 11.987 0.864 178 HB3 ASP 28 HB3 ASP 28 4.860 10.643 1.971 179 HA PRO 29 HA PRO 29 6.521 6.288 -0.647 180 HB2 PRO 29 HB2 PRO 29 9.182 7.471 0.179 181 HB3 PRO 29 HB3 PRO 29 8.868 6.164 -0.990 182 HG2 PRO 29 HG2 PRO 29 9.379 8.665 -1.895 183 HG3 PRO 29 HG3 PRO 29 7.932 7.823 -2.572 184 HD2 PRO 29 HD2 PRO 29 8.059 9.766 -0.237 185 HD3 PRO 29 HD3 PRO 29 6.981 9.861 -1.662 186 H LYS 30 H LYS 30 7.290 8.605 1.914 187 HA LYS 30 HA LYS 30 8.165 6.719 3.842 188 HB2 LYS 30 HB2 LYS 30 7.234 9.579 3.867 189 HB3 LYS 30 HB3 LYS 30 7.801 8.730 5.343 190 HG2 LYS 30 HG2 LYS 30 9.898 8.109 4.092 191 HG3 LYS 30 HG3 LYS 30 9.348 9.132 2.736 192 HD2 LYS 30 HD2 LYS 30 9.212 11.060 4.265 193 HD3 LYS 30 HD3 LYS 30 9.692 9.993 5.610 194 HE2 LYS 30 HE2 LYS 30 11.865 9.569 4.503 195 HE3 LYS 30 HE3 LYS 30 11.384 10.596 3.140 196 HZ1 LYS 30 HZ1 LYS 30 11.270 12.450 4.651 197 HZ2 LYS 30 HZ2 LYS 30 11.700 11.503 5.925 198 HZ3 LYS 30 HZ3 LYS 30 12.768 11.778 4.702 199 H VAL 31 H VAL 31 4.992 7.684 2.714 200 HA VAL 31 HA VAL 31 3.563 6.807 5.119 201 HB VAL 31 HB VAL 31 2.631 7.450 2.292 202 HG11 VAL 31 HG11 VAL 31 0.384 7.651 3.355 203 HG12 VAL 31 HG12 VAL 31 1.014 5.994 3.404 204 HG13 VAL 31 HG13 VAL 31 1.058 7.005 4.867 205 HG21 VAL 31 HG21 VAL 31 3.614 9.386 3.498 206 HG22 VAL 31 HG22 VAL 31 1.860 9.563 3.329 207 HG23 VAL 31 HG23 VAL 31 2.551 9.057 4.887 208 H SER 32 H SER 32 4.731 5.386 2.074 209 HA SER 32 HA SER 32 3.131 2.993 2.254 210 HB2 SER 32 HB2 SER 32 4.191 3.690 0.160 211 HB3 SER 32 HB3 SER 32 5.797 3.555 0.878 212 HG SER 32 HG SER 32 3.959 1.438 0.530 213 H ARG 33 H ARG 33 6.376 3.943 3.344 214 HA ARG 33 HA ARG 33 7.309 1.506 4.408 215 HB2 ARG 33 HB2 ARG 33 8.645 3.573 4.261 216 HB3 ARG 33 HB3 ARG 33 7.579 4.362 5.441 217 HG2 ARG 33 HG2 ARG 33 8.292 2.712 7.171 218 HG3 ARG 33 HG3 ARG 33 9.363 1.952 5.980 219 HD2 ARG 33 HD2 ARG 33 10.643 3.481 7.377 220 HD3 ARG 33 HD3 ARG 33 10.585 4.082 5.710 221 HE ARG 33 HE ARG 33 8.427 5.218 7.205 222 HH11 ARG 33 HH11 ARG 33 11.941 5.411 6.905 223 HH12 ARG 33 HH12 ARG 33 12.014 7.070 7.461 224 HH21 ARG 33 HH21 ARG 33 8.549 7.375 7.929 225 HH22 ARG 33 HH22 ARG 33 10.100 8.174 8.039 226 H LYS 34 H LYS 34 4.930 3.793 5.664 227 HA LYS 34 HA LYS 34 4.687 2.428 8.256 228 HB2 LYS 34 HB2 LYS 34 4.561 4.807 8.306 229 HB3 LYS 34 HB3 LYS 34 3.529 4.870 6.880 230 HG2 LYS 34 HG2 LYS 34 1.648 3.920 8.143 231 HG3 LYS 34 HG3 LYS 34 2.660 3.827 9.601 232 HD2 LYS 34 HD2 LYS 34 2.906 6.250 9.641 233 HD3 LYS 34 HD3 LYS 34 2.181 6.396 8.029 234 HE2 LYS 34 HE2 LYS 34 0.552 7.029 9.729 235 HE3 LYS 34 HE3 LYS 34 0.043 5.565 8.871 236 HZ1 LYS 34 HZ1 LYS 34 1.336 5.653 11.523 237 HZ2 LYS 34 HZ2 LYS 34 -0.259 5.382 11.254 238 HZ3 LYS 34 HZ3 LYS 34 0.852 4.282 10.751 239 H TYR 35 H TYR 35 2.989 2.585 5.135 240 HA TYR 35 HA TYR 35 0.791 0.939 6.187 241 HB2 TYR 35 HB2 TYR 35 1.289 2.527 3.707 242 HB3 TYR 35 HB3 TYR 35 0.272 1.103 3.539 243 HD1 TYR 35 HD2 TYR 35 -1.844 0.853 4.755 244 HD2 TYR 35 HD1 TYR 35 0.476 4.475 4.937 245 HE1 TYR 35 HE2 TYR 35 -3.837 2.090 5.561 246 HE2 TYR 35 HE1 TYR 35 -1.516 5.725 5.708 247 HH TYR 35 HH TYR 35 -3.738 5.596 6.302 248 H LEU 36 H LEU 36 3.769 0.069 5.748 249 HA LEU 36 HA LEU 36 2.948 -2.583 4.639 250 HB2 LEU 36 HB2 LEU 36 5.540 -0.999 4.327 251 HB3 LEU 36 HB3 LEU 36 5.473 -2.736 4.025 252 HG LEU 36 HG LEU 36 3.645 -0.783 2.585 253 HD11 LEU 36 HD11 LEU 36 5.236 -0.932 0.699 254 HD12 LEU 36 HD12 LEU 36 6.005 -0.192 2.120 255 HD13 LEU 36 HD13 LEU 36 6.349 -1.888 1.699 256 HD21 LEU 36 HD21 LEU 36 3.040 -3.224 2.620 257 HD22 LEU 36 HD22 LEU 36 3.439 -2.630 0.993 258 HD23 LEU 36 HD23 LEU 36 4.624 -3.595 1.903 259 H GLN 37 H GLN 37 4.518 -0.699 7.130 260 HA GLN 37 HA GLN 37 5.638 -2.904 8.600 261 HB2 GLN 37 HB2 GLN 37 5.370 0.006 8.763 262 HB3 GLN 37 HB3 GLN 37 5.224 -0.774 10.363 263 HG2 GLN 37 HG2 GLN 37 7.378 -1.730 10.194 264 HG3 GLN 37 HG3 GLN 37 7.348 -1.647 8.421 265 HE21 GLN 37 HE22 GLN 37 9.565 -0.832 8.851 266 HE22 GLN 37 HE21 GLN 37 9.701 0.915 8.865 267 H ARG 38 H ARG 38 2.618 -2.637 7.722 268 HA ARG 38 HA ARG 38 1.477 -3.552 10.299 269 HB2 ARG 38 HB2 ARG 38 -0.596 -2.294 9.742 270 HB3 ARG 38 HB3 ARG 38 0.816 -1.254 10.051 271 HG2 ARG 38 HG2 ARG 38 1.106 -0.989 7.592 272 HG3 ARG 38 HG3 ARG 38 -0.336 -1.996 7.334 273 HD2 ARG 38 HD2 ARG 38 -0.257 0.641 8.864 274 HD3 ARG 38 HD3 ARG 38 -0.865 0.423 7.218 275 HE ARG 38 HE ARG 38 -2.745 -0.740 8.023 276 HH11 ARG 38 HH11 ARG 38 -0.693 0.441 10.657 277 HH12 ARG 38 HH12 ARG 38 -1.912 0.165 11.880 278 HH21 ARG 38 HH21 ARG 38 -4.260 -1.176 9.643 279 HH22 ARG 38 HH22 ARG 38 -3.930 -0.727 11.305 280 H ASN 39 H ASN 39 2.413 -4.814 7.590 281 HA ASN 39 HA ASN 39 0.239 -6.752 7.457 282 HB2 ASN 39 HB2 ASN 39 -0.083 -6.325 4.937 283 HB3 ASN 39 HB3 ASN 39 -0.736 -5.070 6.018 284 HD21 ASN 39 HD22 ASN 39 -0.349 -3.092 5.675 285 HD22 ASN 39 HD21 ASN 39 1.049 -2.449 4.849 286 H HIS 40 H HIS 40 3.168 -6.682 8.025 287 HA HIS 40 HA HIS 40 5.004 -7.904 7.579 288 HB2 HIS 40 HB2 HIS 40 3.291 -9.784 5.957 289 HB3 HIS 40 HB3 HIS 40 4.691 -10.158 6.962 290 HD2 HIS 40 HD2 HIS 40 1.099 -10.537 7.025 291 HE1 HIS 40 HE1 HIS 40 1.961 -9.849 11.129 292 HE2 HIS 40 HE2 HIS 40 0.200 -10.657 9.485 293 H TRP 41 H TRP 41 4.298 -5.747 5.711 294 HA TRP 41 HA TRP 41 5.062 -4.805 3.837 295 HB2 TRP 41 HB2 TRP 41 7.329 -6.751 4.318 296 HB3 TRP 41 HB3 TRP 41 7.350 -5.490 3.097 297 HD1 TRP 41 HD1 TRP 41 7.062 -5.781 6.916 298 HE1 TRP 41 HE1 TRP 41 7.894 -3.587 7.964 299 HE3 TRP 41 HE3 TRP 41 7.946 -3.259 2.660 300 HZ2 TRP 41 HZ2 TRP 41 8.629 -0.901 6.990 301 HZ3 TRP 41 HZ3 TRP 41 8.764 -0.887 2.691 302 HH2 TRP 41 HH2 TRP 41 9.099 0.274 4.854 303 H ASN 42 H ASN 42 3.030 -6.754 3.353 304 HA ASN 42 HA ASN 42 3.763 -7.662 0.621 305 HB2 ASN 42 HB2 ASN 42 1.508 -8.263 2.557 306 HB3 ASN 42 HB3 ASN 42 1.288 -8.480 0.821 307 HD21 ASN 42 HD22 ASN 42 0.926 -10.757 1.520 308 HD22 ASN 42 HD21 ASN 42 2.340 -11.789 1.542 309 H ILE 43 H ILE 43 3.350 -6.308 -1.052 310 HA ILE 43 HA ILE 43 1.770 -3.926 -0.640 311 HB ILE 43 HB ILE 43 3.320 -5.175 -2.886 312 HG12 ILE 43 HG12 ILE 43 4.234 -3.601 -1.089 313 HG13 ILE 43 HG13 ILE 43 4.526 -3.056 -2.759 314 HG21 ILE 43 HG21 ILE 43 1.311 -2.923 -3.293 315 HG22 ILE 43 HG22 ILE 43 2.609 -3.355 -4.428 316 HG23 ILE 43 HG23 ILE 43 1.310 -4.514 -4.090 317 HD11 ILE 43 HD11 ILE 43 3.790 -1.331 -1.135 318 HD12 ILE 43 HD12 ILE 43 2.835 -1.416 -2.636 319 HD13 ILE 43 HD13 ILE 43 2.180 -2.086 -1.121 320 H ASN 44 H ASN 44 0.936 -7.192 -1.346 321 HA ASN 44 HA ASN 44 -1.543 -6.409 -2.733 322 HB2 ASN 44 HB2 ASN 44 -0.459 -9.106 -1.823 323 HB3 ASN 44 HB3 ASN 44 -1.925 -8.881 -2.782 324 HD21 ASN 44 HD22 ASN 44 0.530 -10.362 -3.478 325 HD22 ASN 44 HD21 ASN 44 1.120 -9.634 -4.962 326 H TYR 45 H TYR 45 -0.512 -6.284 0.376 327 HA TYR 45 HA TYR 45 -3.228 -6.658 1.494 328 HB2 TYR 45 HB2 TYR 45 -0.565 -7.774 2.388 329 HB3 TYR 45 HB3 TYR 45 -1.845 -7.504 3.554 330 HD1 TYR 45 HD2 TYR 45 -3.967 -8.770 3.422 331 HD2 TYR 45 HD1 TYR 45 -0.709 -9.565 0.738 332 HE1 TYR 45 HE2 TYR 45 -5.009 -10.943 2.814 333 HE2 TYR 45 HE1 TYR 45 -1.731 -11.743 0.125 334 HH TYR 45 HH TYR 45 -3.494 -13.175 0.452 335 H ALA 46 H ALA 46 -1.228 -4.430 0.568 336 HA ALA 46 HA ALA 46 -1.334 -2.801 3.077 337 HB1 ALA 46 HB1 ALA 46 0.717 -2.925 0.831 338 HB2 ALA 46 HB2 ALA 46 0.705 -1.681 2.092 339 HB3 ALA 46 HB3 ALA 46 0.948 -3.400 2.533 340 H LEU 47 H LEU 47 -1.640 -2.901 -0.491 341 HA LEU 47 HA LEU 47 -2.266 -0.109 -0.777 342 HB2 LEU 47 HB2 LEU 47 -2.777 -2.589 -2.469 343 HB3 LEU 47 HB3 LEU 47 -3.194 -0.955 -3.004 344 HG LEU 47 HG LEU 47 -0.391 -1.846 -2.260 345 HD11 LEU 47 HD11 LEU 47 -1.711 -1.322 -4.966 346 HD12 LEU 47 HD12 LEU 47 0.002 -1.725 -4.699 347 HD13 LEU 47 HD13 LEU 47 -1.263 -2.917 -4.326 348 HD21 LEU 47 HD21 LEU 47 0.256 0.285 -3.368 349 HD22 LEU 47 HD22 LEU 47 -1.467 0.711 -3.528 350 HD23 LEU 47 HD23 LEU 47 -0.717 0.575 -1.918 351 H ASN 48 H ASN 48 -4.150 -3.008 0.007 352 HA ASN 48 HA ASN 48 -6.731 -1.880 -0.521 353 HB2 ASN 48 HB2 ASN 48 -6.076 -4.045 1.510 354 HB3 ASN 48 HB3 ASN 48 -7.572 -3.840 0.577 355 HD21 ASN 48 HD22 ASN 48 -4.189 -4.784 0.565 356 HD22 ASN 48 HD21 ASN 48 -4.164 -5.541 -1.013 357 H ASP 49 H ASP 49 -4.601 -2.011 2.325 358 HA ASP 49 HA ASP 49 -6.549 -0.899 4.145 359 HB2 ASP 49 HB2 ASP 49 -4.160 -2.092 4.526 360 HB3 ASP 49 HB3 ASP 49 -3.598 -0.429 4.533 361 H TYR 50 H TYR 50 -4.402 0.476 1.751 362 HA TYR 50 HA TYR 50 -4.740 3.214 2.727 363 HB2 TYR 50 HB2 TYR 50 -2.684 2.435 1.622 364 HB3 TYR 50 HB3 TYR 50 -3.576 2.055 0.161 365 HD1 TYR 50 HD1 TYR 50 -2.192 4.785 2.218 366 HD2 TYR 50 HD2 TYR 50 -4.414 3.773 -1.326 367 HE1 TYR 50 HE1 TYR 50 -1.896 7.096 1.380 368 HE2 TYR 50 HE2 TYR 50 -4.120 6.087 -2.177 369 HH TYR 50 HH TYR 50 -2.358 8.588 -0.312 370 H TYR 51 H TYR 51 -6.140 1.050 0.275 371 HA TYR 51 HA TYR 51 -7.798 3.112 -0.908 372 HB2 TYR 51 HB2 TYR 51 -7.948 0.081 -1.043 373 HB3 TYR 51 HB3 TYR 51 -8.888 1.188 -2.044 374 HD1 TYR 51 HD1 TYR 51 -6.743 3.263 -2.573 375 HD2 TYR 51 HD2 TYR 51 -6.649 -1.038 -2.714 376 HE1 TYR 51 HE1 TYR 51 -4.917 3.371 -4.220 377 HE2 TYR 51 HE2 TYR 51 -4.833 -0.940 -4.404 378 HH TYR 51 HH TYR 51 -3.494 2.169 -5.585 379 H ASP 52 H ASP 52 -7.928 1.531 2.074 380 HA ASP 52 HA ASP 52 -10.885 1.738 2.274 381 HB2 ASP 52 HB2 ASP 52 -8.678 0.611 4.030 382 HB3 ASP 52 HB3 ASP 52 -10.352 0.725 4.546 383 H LYS 53 H LYS 53 -7.901 3.367 3.184 384 HA LYS 53 HA LYS 53 -9.401 4.973 5.224 385 HB2 LYS 53 HB2 LYS 53 -6.537 3.998 5.239 386 HB3 LYS 53 HB3 LYS 53 -7.307 4.999 6.490 387 HG2 LYS 53 HG2 LYS 53 -8.924 3.229 6.984 388 HG3 LYS 53 HG3 LYS 53 -8.234 2.209 5.693 389 HD2 LYS 53 HD2 LYS 53 -6.038 2.293 6.799 390 HD3 LYS 53 HD3 LYS 53 -6.753 3.229 8.138 391 HE2 LYS 53 HE2 LYS 53 -8.270 1.388 8.673 392 HE3 LYS 53 HE3 LYS 53 -7.722 0.481 7.250 393 HZ1 LYS 53 HZ1 LYS 53 -5.552 0.366 8.212 394 HZ2 LYS 53 HZ2 LYS 53 -6.027 1.215 9.540 395 HZ3 LYS 53 HZ3 LYS 53 -6.653 -0.282 9.248 396 H GLU 54 H GLU 54 -7.531 5.157 2.302 397 HA GLU 54 HA GLU 54 -7.206 8.082 2.722 398 HB2 GLU 54 HB2 GLU 54 -5.091 6.186 1.646 399 HB3 GLU 54 HB3 GLU 54 -4.950 7.948 1.702 400 HG2 GLU 54 HG2 GLU 54 -5.206 6.111 4.117 401 HG3 GLU 54 HG3 GLU 54 -3.716 6.848 3.530 402 H ILE 55 H ILE 55 -8.860 5.953 0.972 403 HA ILE 55 HA ILE 55 -8.002 6.371 -1.691 404 HB ILE 55 HB ILE 55 -9.412 4.521 -0.919 405 HG12 ILE 55 HG12 ILE 55 -10.722 6.195 -3.087 406 HG13 ILE 55 HG13 ILE 55 -9.267 5.198 -3.302 407 HG21 ILE 55 HG21 ILE 55 -11.814 4.840 -0.511 408 HG22 ILE 55 HG22 ILE 55 -10.867 5.811 0.628 409 HG23 ILE 55 HG23 ILE 55 -11.650 6.589 -0.766 410 HD11 ILE 55 HD11 ILE 55 -11.219 3.977 -4.093 411 HD12 ILE 55 HD12 ILE 55 -10.573 3.182 -2.637 412 HD13 ILE 55 HD13 ILE 55 -12.036 4.188 -2.532 413 H GLY 56 H GLY 56 -8.782 7.742 -3.347 414 HA2 GLY 56 HA2 GLY 56 -9.371 10.421 -2.384 415 HA3 GLY 56 HA3 GLY 56 -9.020 9.924 -4.048 416 H THR 57 H THR 57 -11.419 7.823 -3.238 417 HA THR 57 HA THR 57 -13.708 9.622 -3.491 418 HB THR 57 HB THR 57 -12.866 9.508 -5.816 419 HG1 THR 57 HG1 THR 57 -14.833 8.785 -6.677 420 HG21 THR 57 HG21 THR 57 -11.774 7.283 -5.725 421 HG22 THR 57 HG22 THR 57 -13.368 6.509 -5.570 422 HG23 THR 57 HG23 THR 57 -12.937 7.384 -7.058 423 H PHE 58 H PHE 58 -15.762 8.366 -3.519 424 HA PHE 58 HA PHE 58 -15.501 5.566 -2.720 425 HB2 PHE 58 HB2 PHE 58 -15.268 7.037 -0.647 426 HB3 PHE 58 HB3 PHE 58 -16.940 7.530 -0.902 427 HD1 PHE 58 HD1 PHE 58 -15.266 4.207 -1.311 428 HD2 PHE 58 HD2 PHE 58 -18.191 6.515 0.816 429 HE1 PHE 58 HE1 PHE 58 -16.001 2.157 -0.096 430 HE2 PHE 58 HE2 PHE 58 -18.915 4.482 2.043 431 HZ PHE 58 HZ PHE 58 -17.819 2.295 1.576 432 H THR 59 H THR 59 -16.548 6.948 -4.998 433 HA THR 59 HA THR 59 -19.472 6.906 -4.810 434 HB THR 59 HB THR 59 -19.385 7.439 -7.207 435 HG1 THR 59 HG1 THR 59 -17.336 7.789 -8.127 436 HG21 THR 59 HG21 THR 59 -17.481 9.110 -5.506 437 HG22 THR 59 HG22 THR 59 -18.315 9.649 -6.981 438 HG23 THR 59 HG23 THR 59 -19.254 9.247 -5.528 439 H ASP 60 H ASP 60 -20.824 5.618 -6.228 440 HA ASP 60 HA ASP 60 -19.668 3.065 -7.128 441 HB2 ASP 60 HB2 ASP 60 -20.361 2.828 -4.707 442 HB3 ASP 60 HB3 ASP 60 -22.014 3.204 -5.188 443 H GLU 61 H GLU 61 -20.947 5.575 -8.271 444 HA GLU 61 HA GLU 61 -23.023 4.152 -9.852 445 HB2 GLU 61 HB2 GLU 61 -22.989 7.056 -8.938 446 HB3 GLU 61 HB3 GLU 61 -24.148 6.385 -10.089 447 HG2 GLU 61 HG2 GLU 61 -23.780 5.464 -7.207 448 HG3 GLU 61 HG3 GLU 61 -25.060 6.533 -7.792 449 H VAL 62 H VAL 62 -23.338 5.055 -12.037 450 HA VAL 62 HA VAL 62 -20.949 6.399 -13.166 451 HB VAL 62 HB VAL 62 -20.937 4.787 -15.039 452 HG11 VAL 62 HG11 VAL 62 -20.573 3.458 -12.321 453 HG12 VAL 62 HG12 VAL 62 -19.832 2.957 -13.853 454 HG13 VAL 62 HG13 VAL 62 -19.388 4.512 -13.123 455 HG21 VAL 62 HG21 VAL 62 -23.266 3.960 -14.857 456 HG22 VAL 62 HG22 VAL 62 -22.095 2.627 -14.818 457 HG23 VAL 62 HG23 VAL 62 -22.862 3.172 -13.312 Start of MODEL 3 1 HA ILE 6 HA ILE 6 14.552 -3.940 -10.336 2 HB ILE 6 HB ILE 6 15.469 -2.053 -9.004 3 HG12 ILE 6 HG12 ILE 6 13.927 -3.339 -6.713 4 HG13 ILE 6 HG13 ILE 6 15.694 -3.252 -6.849 5 HG21 ILE 6 HG21 ILE 6 13.228 -1.975 -10.113 6 HG22 ILE 6 HG22 ILE 6 12.483 -2.479 -8.580 7 HG23 ILE 6 HG23 ILE 6 13.340 -0.924 -8.692 8 HD11 ILE 6 HD11 ILE 6 13.786 -0.888 -6.597 9 HD12 ILE 6 HD12 ILE 6 14.888 -1.498 -5.355 10 HD13 ILE 6 HD13 ILE 6 15.551 -0.770 -6.835 11 H LYS 7 H LYS 7 16.904 -3.342 -10.393 12 HA LYS 7 HA LYS 7 18.569 -5.324 -8.938 13 HB2 LYS 7 HB2 LYS 7 19.762 -5.698 -11.087 14 HB3 LYS 7 HB3 LYS 7 18.057 -6.182 -11.161 15 HG2 LYS 7 HG2 LYS 7 17.474 -4.033 -12.265 16 HG3 LYS 7 HG3 LYS 7 19.173 -3.520 -12.165 17 HD2 LYS 7 HD2 LYS 7 19.846 -5.440 -13.533 18 HD3 LYS 7 HD3 LYS 7 18.152 -5.969 -13.661 19 HE2 LYS 7 HE2 LYS 7 17.573 -3.812 -14.755 20 HE3 LYS 7 HE3 LYS 7 19.263 -3.299 -14.624 21 HZ1 LYS 7 HZ1 LYS 7 19.873 -5.137 -16.029 22 HZ2 LYS 7 HZ2 LYS 7 18.306 -5.631 -16.145 23 HZ3 LYS 7 HZ3 LYS 7 18.765 -4.190 -16.787 24 H ARG 8 H ARG 8 18.037 -2.241 -8.816 25 HA ARG 8 HA ARG 8 20.473 -1.021 -9.750 26 HB2 ARG 8 HB2 ARG 8 18.551 0.028 -7.645 27 HB3 ARG 8 HB3 ARG 8 19.717 0.960 -8.615 28 HG2 ARG 8 HG2 ARG 8 18.417 0.171 -10.660 29 HG3 ARG 8 HG3 ARG 8 17.177 -0.359 -9.488 30 HD2 ARG 8 HD2 ARG 8 18.226 2.453 -9.963 31 HD3 ARG 8 HD3 ARG 8 16.570 1.879 -10.197 32 HE ARG 8 HE ARG 8 17.938 2.505 -7.639 33 HH11 ARG 8 HH11 ARG 8 14.997 1.345 -9.235 34 HH12 ARG 8 HH12 ARG 8 14.017 1.532 -7.800 35 HH21 ARG 8 HH21 ARG 8 16.651 2.727 -5.806 36 HH22 ARG 8 HH22 ARG 8 14.955 2.288 -5.861 37 H LYS 9 H LYS 9 22.080 0.061 -8.417 38 HA LYS 9 HA LYS 9 23.028 -1.647 -6.261 39 HB2 LYS 9 HB2 LYS 9 24.162 0.857 -7.555 40 HB3 LYS 9 HB3 LYS 9 25.033 -0.209 -6.430 41 HG2 LYS 9 HG2 LYS 9 24.808 -2.096 -7.989 42 HG3 LYS 9 HG3 LYS 9 23.878 -1.080 -9.122 43 HD2 LYS 9 HD2 LYS 9 25.769 0.427 -9.399 44 HD3 LYS 9 HD3 LYS 9 26.684 -0.467 -8.163 45 HE2 LYS 9 HE2 LYS 9 26.621 -2.495 -9.590 46 HE3 LYS 9 HE3 LYS 9 25.703 -1.609 -10.818 47 HZ1 LYS 9 HZ1 LYS 9 27.581 -0.132 -11.066 48 HZ2 LYS 9 HZ2 LYS 9 28.429 -0.946 -9.912 49 HZ3 LYS 9 HZ3 LYS 9 28.040 -1.685 -11.330 50 H ASP 10 H ASP 10 20.639 0.381 -6.073 51 HA ASP 10 HA ASP 10 21.495 1.357 -3.407 52 HB2 ASP 10 HB2 ASP 10 20.308 3.446 -3.755 53 HB3 ASP 10 HB3 ASP 10 21.469 3.205 -5.080 54 H ALA 11 H ALA 11 19.761 -0.830 -4.800 55 HA ALA 11 HA ALA 11 17.066 -0.384 -3.891 56 HB1 ALA 11 HB1 ALA 11 16.742 -2.738 -4.539 57 HB2 ALA 11 HB2 ALA 11 17.651 -1.842 -5.786 58 HB3 ALA 11 HB3 ALA 11 18.503 -2.946 -4.683 59 H SER 12 H SER 12 15.908 -1.543 -2.282 60 HA SER 12 HA SER 12 17.409 -2.910 -0.151 61 HB2 SER 12 HB2 SER 12 17.064 -1.350 1.473 62 HB3 SER 12 HB3 SER 12 17.002 -0.231 0.097 63 HG SER 12 HG SER 12 15.221 0.022 1.462 64 HA PRO 13 HA PRO 13 13.752 -5.330 -0.079 65 HB2 PRO 13 HB2 PRO 13 13.145 -5.792 2.542 66 HB3 PRO 13 HB3 PRO 13 14.715 -6.359 1.864 67 HG2 PRO 13 HG2 PRO 13 14.186 -3.733 3.320 68 HG3 PRO 13 HG3 PRO 13 15.401 -4.994 3.755 69 HD2 PRO 13 HD2 PRO 13 16.106 -2.884 2.231 70 HD3 PRO 13 HD3 PRO 13 16.675 -4.523 1.764 71 H GLU 14 H GLU 14 13.673 -2.444 1.935 72 HA GLU 14 HA GLU 14 10.766 -2.274 2.029 73 HB2 GLU 14 HB2 GLU 14 13.015 -0.305 2.633 74 HB3 GLU 14 HB3 GLU 14 11.289 0.017 2.890 75 HG2 GLU 14 HG2 GLU 14 11.135 -1.887 4.441 76 HG3 GLU 14 HG3 GLU 14 12.857 -2.214 4.214 77 H GLN 15 H GLN 15 13.431 -1.118 -0.025 78 HA GLN 15 HA GLN 15 11.909 0.832 -1.490 79 HB2 GLN 15 HB2 GLN 15 14.585 -0.416 -1.553 80 HB3 GLN 15 HB3 GLN 15 13.927 -0.196 -3.176 81 HG2 GLN 15 HG2 GLN 15 15.039 1.820 -2.704 82 HG3 GLN 15 HG3 GLN 15 13.305 2.158 -2.480 83 HE21 GLN 15 HE22 GLN 15 12.546 1.582 -0.087 84 HE22 GLN 15 HE21 GLN 15 13.611 2.079 1.208 85 H GLU 16 H GLU 16 12.321 -2.640 -1.724 86 HA GLU 16 HA GLU 16 11.338 -2.699 -4.439 87 HB2 GLU 16 HB2 GLU 16 11.659 -4.926 -2.372 88 HB3 GLU 16 HB3 GLU 16 11.105 -5.205 -4.035 89 HG2 GLU 16 HG2 GLU 16 13.176 -4.046 -4.851 90 HG3 GLU 16 HG3 GLU 16 13.795 -4.063 -3.199 91 H ALA 17 H ALA 17 9.833 -2.411 -1.394 92 HA ALA 17 HA ALA 17 7.184 -3.136 -2.572 93 HB1 ALA 17 HB1 ALA 17 8.019 -2.765 0.327 94 HB2 ALA 17 HB2 ALA 17 6.408 -3.251 -0.243 95 HB3 ALA 17 HB3 ALA 17 7.801 -4.325 -0.504 96 H ILE 18 H ILE 18 9.097 -0.455 -1.275 97 HA ILE 18 HA ILE 18 6.795 1.302 -0.968 98 HB ILE 18 HB ILE 18 9.798 1.639 -0.811 99 HG12 ILE 18 HG12 ILE 18 7.585 2.023 1.263 100 HG13 ILE 18 HG13 ILE 18 8.425 0.494 1.013 101 HG21 ILE 18 HG21 ILE 18 7.675 3.802 -0.508 102 HG22 ILE 18 HG22 ILE 18 9.384 3.971 -0.033 103 HG23 ILE 18 HG23 ILE 18 8.955 3.743 -1.731 104 HD11 ILE 18 HD11 ILE 18 9.676 3.126 1.910 105 HD12 ILE 18 HD12 ILE 18 9.469 1.643 2.862 106 HD13 ILE 18 HD13 ILE 18 10.605 1.660 1.501 107 H GLU 19 H GLU 19 9.211 0.624 -3.553 108 HA GLU 19 HA GLU 19 8.577 3.063 -4.966 109 HB2 GLU 19 HB2 GLU 19 9.969 0.495 -5.781 110 HB3 GLU 19 HB3 GLU 19 9.745 1.878 -6.874 111 HG2 GLU 19 HG2 GLU 19 10.912 3.360 -5.291 112 HG3 GLU 19 HG3 GLU 19 11.127 2.019 -4.165 113 H SER 20 H SER 20 7.105 -0.177 -4.871 114 HA SER 20 HA SER 20 5.479 0.365 -7.242 115 HB2 SER 20 HB2 SER 20 5.530 -1.862 -5.166 116 HB3 SER 20 HB3 SER 20 4.517 -1.850 -6.619 117 HG SER 20 HG SER 20 6.488 -2.977 -6.935 118 H PHE 21 H PHE 21 5.248 0.742 -3.725 119 HA PHE 21 HA PHE 21 2.360 0.929 -3.656 120 HB2 PHE 21 HB2 PHE 21 3.975 0.436 -1.750 121 HB3 PHE 21 HB3 PHE 21 4.434 2.097 -1.764 122 HD1 PHE 21 HD1 PHE 21 2.295 3.828 -1.638 123 HD2 PHE 21 HD2 PHE 21 2.319 -0.234 -0.196 124 HE1 PHE 21 HE1 PHE 21 0.346 4.316 -0.200 125 HE2 PHE 21 HE2 PHE 21 0.375 0.265 1.231 126 HZ PHE 21 HZ PHE 21 -0.634 2.536 1.222 127 H THR 22 H THR 22 5.078 3.234 -3.763 128 HA THR 22 HA THR 22 3.407 5.589 -3.958 129 HB THR 22 HB THR 22 6.224 5.492 -4.980 130 HG1 THR 22 HG1 THR 22 6.392 4.326 -3.079 131 HG21 THR 22 HG21 THR 22 4.710 7.428 -3.167 132 HG22 THR 22 HG22 THR 22 6.362 7.665 -3.777 133 HG23 THR 22 HG23 THR 22 5.000 7.656 -4.913 134 H SER 23 H SER 23 4.090 3.123 -6.204 135 HA SER 23 HA SER 23 3.976 4.944 -8.508 136 HB2 SER 23 HB2 SER 23 4.167 1.948 -8.201 137 HB3 SER 23 HB3 SER 23 3.949 2.712 -9.781 138 HG SER 23 HG SER 23 6.131 2.984 -8.018 139 H LEU 24 H LEU 24 1.990 2.568 -6.747 140 HA LEU 24 HA LEU 24 -0.245 2.845 -8.647 141 HB2 LEU 24 HB2 LEU 24 0.251 1.150 -6.169 142 HB3 LEU 24 HB3 LEU 24 -1.268 1.155 -7.072 143 HG LEU 24 HG LEU 24 1.461 0.507 -8.300 144 HD11 LEU 24 HD11 LEU 24 0.687 -1.845 -8.272 145 HD12 LEU 24 HD12 LEU 24 0.842 -1.184 -6.631 146 HD13 LEU 24 HD13 LEU 24 -0.768 -1.348 -7.377 147 HD21 LEU 24 HD21 LEU 24 -0.166 1.290 -9.967 148 HD22 LEU 24 HD22 LEU 24 0.084 -0.459 -10.135 149 HD23 LEU 24 HD23 LEU 24 -1.384 0.150 -9.337 150 H THR 25 H THR 25 0.829 4.163 -5.613 151 HA THR 25 HA THR 25 -1.643 5.780 -5.611 152 HB THR 25 HB THR 25 -1.663 5.885 -3.195 153 HG1 THR 25 HG1 THR 25 0.587 4.184 -3.372 154 HG21 THR 25 HG21 THR 25 -2.250 3.565 -2.631 155 HG22 THR 25 HG22 THR 25 -2.886 4.002 -4.227 156 HG23 THR 25 HG23 THR 25 -1.429 2.983 -4.097 157 H LYS 26 H LYS 26 -1.192 8.039 -4.862 158 HA LYS 26 HA LYS 26 1.629 8.689 -5.544 159 HB2 LYS 26 HB2 LYS 26 -0.849 10.388 -5.933 160 HB3 LYS 26 HB3 LYS 26 0.802 10.807 -6.409 161 HG2 LYS 26 HG2 LYS 26 -0.894 8.527 -7.504 162 HG3 LYS 26 HG3 LYS 26 -0.398 9.998 -8.349 163 HD2 LYS 26 HD2 LYS 26 2.014 9.256 -8.079 164 HD3 LYS 26 HD3 LYS 26 1.414 7.713 -7.447 165 HE2 LYS 26 HE2 LYS 26 0.688 8.872 -10.163 166 HE3 LYS 26 HE3 LYS 26 1.955 7.669 -9.889 167 HZ1 LYS 26 HZ1 LYS 26 -0.891 7.290 -9.237 168 HZ2 LYS 26 HZ2 LYS 26 -0.123 6.671 -10.552 169 HZ3 LYS 26 HZ3 LYS 26 0.311 6.174 -9.050 170 H CYS 27 H CYS 27 0.654 8.022 -2.829 171 HA CYS 27 HA CYS 27 0.848 10.489 -1.315 172 HB2 CYS 27 HB2 CYS 27 0.985 8.988 0.613 173 HB3 CYS 27 HB3 CYS 27 -0.293 8.441 -0.492 174 HG CYS 27 HG CYS 27 2.834 7.382 -0.248 175 H ASP 28 H ASP 28 2.714 10.364 0.533 176 HA ASP 28 HA ASP 28 5.210 10.642 -0.936 177 HB2 ASP 28 HB2 ASP 28 4.385 12.163 0.865 178 HB3 ASP 28 HB3 ASP 28 4.662 10.874 2.045 179 HA PRO 29 HA PRO 29 6.763 6.568 -0.389 180 HB2 PRO 29 HB2 PRO 29 9.344 7.910 0.442 181 HB3 PRO 29 HB3 PRO 29 9.116 6.569 -0.707 182 HG2 PRO 29 HG2 PRO 29 9.491 9.071 -1.657 183 HG3 PRO 29 HG3 PRO 29 8.100 8.134 -2.324 184 HD2 PRO 29 HD2 PRO 29 8.085 10.136 -0.038 185 HD3 PRO 29 HD3 PRO 29 7.034 10.140 -1.474 186 H LYS 30 H LYS 30 7.312 8.949 2.145 187 HA LYS 30 HA LYS 30 8.269 7.066 4.091 188 HB2 LYS 30 HB2 LYS 30 7.396 9.950 4.034 189 HB3 LYS 30 HB3 LYS 30 7.583 9.148 5.620 190 HG2 LYS 30 HG2 LYS 30 9.592 10.309 5.092 191 HG3 LYS 30 HG3 LYS 30 9.868 8.562 5.149 192 HD2 LYS 30 HD2 LYS 30 9.921 8.448 2.697 193 HD3 LYS 30 HD3 LYS 30 9.509 10.189 2.593 194 HE2 LYS 30 HE2 LYS 30 11.507 10.727 3.918 195 HE3 LYS 30 HE3 LYS 30 11.918 9.005 4.014 196 HZ1 LYS 30 HZ1 LYS 30 11.759 10.577 1.517 197 HZ2 LYS 30 HZ2 LYS 30 13.151 10.130 2.266 198 HZ3 LYS 30 HZ3 LYS 30 12.170 8.988 1.619 199 H VAL 31 H VAL 31 5.103 8.009 2.933 200 HA VAL 31 HA VAL 31 3.694 6.957 5.274 201 HB VAL 31 HB VAL 31 2.731 7.766 2.495 202 HG11 VAL 31 HG11 VAL 31 1.175 7.113 5.041 203 HG12 VAL 31 HG12 VAL 31 0.483 7.830 3.573 204 HG13 VAL 31 HG13 VAL 31 1.154 6.194 3.518 205 HG21 VAL 31 HG21 VAL 31 3.671 9.649 3.822 206 HG22 VAL 31 HG22 VAL 31 1.911 9.784 3.660 207 HG23 VAL 31 HG23 VAL 31 2.623 9.202 5.187 208 H SER 32 H SER 32 4.967 5.800 2.186 209 HA SER 32 HA SER 32 3.382 3.416 2.038 210 HB2 SER 32 HB2 SER 32 6.156 3.958 0.916 211 HB3 SER 32 HB3 SER 32 5.001 2.725 0.360 212 HG SER 32 HG SER 32 4.990 4.664 -0.900 213 H ARG 33 H ARG 33 6.443 4.273 3.679 214 HA ARG 33 HA ARG 33 7.194 1.597 4.408 215 HB2 ARG 33 HB2 ARG 33 8.837 3.333 4.536 216 HB3 ARG 33 HB3 ARG 33 7.772 4.384 5.480 217 HG2 ARG 33 HG2 ARG 33 7.938 2.936 7.423 218 HG3 ARG 33 HG3 ARG 33 8.879 1.737 6.511 219 HD2 ARG 33 HD2 ARG 33 9.760 4.616 6.921 220 HD3 ARG 33 HD3 ARG 33 10.216 3.297 8.009 221 HE ARG 33 HE ARG 33 11.098 2.196 5.802 222 HH11 ARG 33 HH11 ARG 33 11.299 5.638 6.591 223 HH12 ARG 33 HH12 ARG 33 12.739 5.873 5.621 224 HH21 ARG 33 HH21 ARG 33 12.927 2.516 4.619 225 HH22 ARG 33 HH22 ARG 33 13.657 4.106 4.475 226 H LYS 34 H LYS 34 5.123 4.068 5.917 227 HA LYS 34 HA LYS 34 4.661 2.592 8.354 228 HB2 LYS 34 HB2 LYS 34 4.291 4.949 8.392 229 HB3 LYS 34 HB3 LYS 34 3.330 4.904 6.898 230 HG2 LYS 34 HG2 LYS 34 1.504 3.732 8.055 231 HG3 LYS 34 HG3 LYS 34 2.458 3.674 9.545 232 HD2 LYS 34 HD2 LYS 34 0.903 5.516 9.709 233 HD3 LYS 34 HD3 LYS 34 2.537 6.192 9.495 234 HE2 LYS 34 HE2 LYS 34 2.107 6.539 7.109 235 HE3 LYS 34 HE3 LYS 34 0.489 5.825 7.281 236 HZ1 LYS 34 HZ1 LYS 34 -0.059 7.609 8.799 237 HZ2 LYS 34 HZ2 LYS 34 1.435 8.272 8.624 238 HZ3 LYS 34 HZ3 LYS 34 0.402 8.221 7.347 239 H TYR 35 H TYR 35 2.996 2.837 5.204 240 HA TYR 35 HA TYR 35 0.852 1.077 6.119 241 HB2 TYR 35 HB2 TYR 35 1.393 2.743 3.695 242 HB3 TYR 35 HB3 TYR 35 0.313 1.358 3.524 243 HD1 TYR 35 HD1 TYR 35 0.759 4.557 5.421 244 HD2 TYR 35 HD2 TYR 35 -1.841 1.274 4.406 245 HE1 TYR 35 HE1 TYR 35 -1.186 5.849 6.237 246 HE2 TYR 35 HE2 TYR 35 -3.790 2.543 5.281 247 HH TYR 35 HH TYR 35 -3.458 5.850 6.620 248 H LEU 36 H LEU 36 3.792 0.207 5.797 249 HA LEU 36 HA LEU 36 2.947 -2.415 4.657 250 HB2 LEU 36 HB2 LEU 36 5.591 -0.925 4.328 251 HB3 LEU 36 HB3 LEU 36 5.425 -2.660 3.998 252 HG LEU 36 HG LEU 36 3.717 -0.551 2.612 253 HD11 LEU 36 HD11 LEU 36 6.276 -1.899 1.654 254 HD12 LEU 36 HD12 LEU 36 5.239 -0.811 0.699 255 HD13 LEU 36 HD13 LEU 36 6.125 -0.186 2.105 256 HD21 LEU 36 HD21 LEU 36 3.333 -2.368 1.010 257 HD22 LEU 36 HD22 LEU 36 4.407 -3.444 1.939 258 HD23 LEU 36 HD23 LEU 36 2.867 -2.895 2.642 259 H GLN 37 H GLN 37 4.541 -0.550 7.148 260 HA GLN 37 HA GLN 37 5.570 -2.770 8.654 261 HB2 GLN 37 HB2 GLN 37 5.331 0.146 8.829 262 HB3 GLN 37 HB3 GLN 37 5.196 -0.665 10.417 263 HG2 GLN 37 HG2 GLN 37 7.343 -1.619 10.216 264 HG3 GLN 37 HG3 GLN 37 7.293 -1.526 8.449 265 HE21 GLN 37 HE22 GLN 37 9.520 -0.724 8.861 266 HE22 GLN 37 HE21 GLN 37 9.671 1.019 8.884 267 H ARG 38 H ARG 38 2.516 -2.325 7.749 268 HA ARG 38 HA ARG 38 1.362 -3.255 10.320 269 HB2 ARG 38 HB2 ARG 38 -0.689 -1.940 9.746 270 HB3 ARG 38 HB3 ARG 38 0.744 -0.959 10.104 271 HG2 ARG 38 HG2 ARG 38 1.096 -0.697 7.623 272 HG3 ARG 38 HG3 ARG 38 -0.417 -1.593 7.361 273 HD2 ARG 38 HD2 ARG 38 -0.834 0.833 7.283 274 HD3 ARG 38 HD3 ARG 38 -1.649 0.103 8.674 275 HE ARG 38 HE ARG 38 1.027 1.269 9.134 276 HH11 ARG 38 HH11 ARG 38 -2.474 1.678 9.347 277 HH12 ARG 38 HH12 ARG 38 -2.380 2.885 10.611 278 HH21 ARG 38 HH21 ARG 38 1.128 2.820 10.801 279 HH22 ARG 38 HH22 ARG 38 -0.344 3.543 11.413 280 H ASN 39 H ASN 39 2.288 -4.522 7.632 281 HA ASN 39 HA ASN 39 0.077 -6.408 7.455 282 HB2 ASN 39 HB2 ASN 39 -0.237 -5.944 4.954 283 HB3 ASN 39 HB3 ASN 39 -0.853 -4.680 6.052 284 HD21 ASN 39 HD22 ASN 39 -0.452 -2.687 5.633 285 HD22 ASN 39 HD21 ASN 39 0.994 -2.097 4.857 286 H HIS 40 H HIS 40 3.026 -6.347 8.018 287 HA HIS 40 HA HIS 40 4.824 -7.624 7.614 288 HB2 HIS 40 HB2 HIS 40 3.079 -9.496 6.028 289 HB3 HIS 40 HB3 HIS 40 4.471 -9.884 7.038 290 HD2 HIS 40 HD2 HIS 40 0.882 -10.213 7.109 291 HE1 HIS 40 HE1 HIS 40 1.741 -9.444 11.201 292 HE2 HIS 40 HE2 HIS 40 -0.021 -10.288 9.567 293 H TRP 41 H TRP 41 4.172 -5.501 5.654 294 HA TRP 41 HA TRP 41 4.975 -4.654 3.752 295 HB2 TRP 41 HB2 TRP 41 7.205 -6.614 4.326 296 HB3 TRP 41 HB3 TRP 41 7.268 -5.360 3.098 297 HD1 TRP 41 HD1 TRP 41 6.906 -5.625 6.915 298 HE1 TRP 41 HE1 TRP 41 7.758 -3.445 7.970 299 HE3 TRP 41 HE3 TRP 41 7.922 -3.138 2.672 300 HZ2 TRP 41 HZ2 TRP 41 8.559 -0.775 7.005 301 HZ3 TRP 41 HZ3 TRP 41 8.806 -0.788 2.711 302 HH2 TRP 41 HH2 TRP 41 9.119 0.378 4.870 303 H ASN 42 H ASN 42 2.949 -6.678 3.352 304 HA ASN 42 HA ASN 42 3.706 -7.705 0.672 305 HB2 ASN 42 HB2 ASN 42 1.402 -8.192 2.605 306 HB3 ASN 42 HB3 ASN 42 1.336 -8.659 0.903 307 HD21 ASN 42 HD22 ASN 42 2.642 -10.320 0.075 308 HD22 ASN 42 HD21 ASN 42 3.490 -11.429 1.125 309 H ILE 43 H ILE 43 3.344 -6.297 -0.996 310 HA ILE 43 HA ILE 43 1.696 -3.971 -0.621 311 HB ILE 43 HB ILE 43 3.270 -5.197 -2.873 312 HG12 ILE 43 HG12 ILE 43 4.179 -3.640 -1.057 313 HG13 ILE 43 HG13 ILE 43 4.479 -3.082 -2.718 314 HG21 ILE 43 HG21 ILE 43 1.240 -2.962 -3.259 315 HG22 ILE 43 HG22 ILE 43 2.551 -3.349 -4.393 316 HG23 ILE 43 HG23 ILE 43 1.271 -4.536 -4.080 317 HD11 ILE 43 HD11 ILE 43 2.118 -2.128 -1.078 318 HD12 ILE 43 HD12 ILE 43 3.731 -1.383 -1.065 319 HD13 ILE 43 HD13 ILE 43 2.784 -1.443 -2.582 320 H ASN 44 H ASN 44 0.962 -7.224 -1.415 321 HA ASN 44 HA ASN 44 -1.522 -6.509 -2.813 322 HB2 ASN 44 HB2 ASN 44 -0.395 -9.182 -1.879 323 HB3 ASN 44 HB3 ASN 44 -1.843 -8.986 -2.875 324 HD21 ASN 44 HD22 ASN 44 0.672 -10.409 -3.507 325 HD22 ASN 44 HD21 ASN 44 1.283 -9.659 -4.968 326 H TYR 45 H TYR 45 -0.531 -6.425 0.337 327 HA TYR 45 HA TYR 45 -3.273 -6.773 1.377 328 HB2 TYR 45 HB2 TYR 45 -0.638 -7.865 2.407 329 HB3 TYR 45 HB3 TYR 45 -2.013 -7.672 3.467 330 HD1 TYR 45 HD2 TYR 45 -4.209 -8.874 2.836 331 HD2 TYR 45 HD1 TYR 45 -0.422 -9.787 1.022 332 HE1 TYR 45 HE2 TYR 45 -5.098 -11.072 2.096 333 HE2 TYR 45 HE1 TYR 45 -1.287 -11.983 0.287 334 HH TYR 45 HH TYR 45 -3.100 -13.404 0.253 335 H ALA 46 H ALA 46 -1.387 -4.505 0.475 336 HA ALA 46 HA ALA 46 -1.484 -2.908 3.003 337 HB1 ALA 46 HB1 ALA 46 0.594 -2.917 0.775 338 HB2 ALA 46 HB2 ALA 46 0.577 -1.805 2.154 339 HB3 ALA 46 HB3 ALA 46 0.823 -3.557 2.419 340 H LEU 47 H LEU 47 -1.790 -3.036 -0.552 341 HA LEU 47 HA LEU 47 -2.427 -0.237 -0.838 342 HB2 LEU 47 HB2 LEU 47 -2.824 -2.711 -2.562 343 HB3 LEU 47 HB3 LEU 47 -3.316 -1.090 -3.091 344 HG LEU 47 HG LEU 47 -0.489 -1.846 -2.284 345 HD11 LEU 47 HD11 LEU 47 -1.765 -1.382 -5.016 346 HD12 LEU 47 HD12 LEU 47 -0.037 -1.694 -4.713 347 HD13 LEU 47 HD13 LEU 47 -1.240 -2.955 -4.366 348 HD21 LEU 47 HD21 LEU 47 -1.661 0.669 -3.554 349 HD22 LEU 47 HD22 LEU 47 -0.928 0.550 -1.936 350 HD23 LEU 47 HD23 LEU 47 0.075 0.331 -3.376 351 H ASN 48 H ASN 48 -4.309 -3.211 -0.267 352 HA ASN 48 HA ASN 48 -6.889 -2.043 -0.658 353 HB2 ASN 48 HB2 ASN 48 -6.219 -4.304 1.257 354 HB3 ASN 48 HB3 ASN 48 -7.722 -4.055 0.346 355 HD21 ASN 48 HD22 ASN 48 -4.367 -5.050 0.286 356 HD22 ASN 48 HD21 ASN 48 -4.351 -5.734 -1.328 357 H ASP 49 H ASP 49 -4.707 -2.368 2.127 358 HA ASP 49 HA ASP 49 -6.513 -1.287 4.082 359 HB2 ASP 49 HB2 ASP 49 -3.505 -1.661 3.923 360 HB3 ASP 49 HB3 ASP 49 -4.308 -0.970 5.339 361 H TYR 50 H TYR 50 -4.579 0.188 1.577 362 HA TYR 50 HA TYR 50 -4.798 2.861 2.806 363 HB2 TYR 50 HB2 TYR 50 -2.766 2.159 1.611 364 HB3 TYR 50 HB3 TYR 50 -3.694 1.875 0.150 365 HD1 TYR 50 HD1 TYR 50 -2.341 4.479 2.392 366 HD2 TYR 50 HD2 TYR 50 -4.489 3.682 -1.243 367 HE1 TYR 50 HE1 TYR 50 -2.014 6.841 1.687 368 HE2 TYR 50 HE2 TYR 50 -4.174 6.036 -1.961 369 HH TYR 50 HH TYR 50 -2.431 8.419 0.080 370 H TYR 51 H TYR 51 -6.255 0.823 0.328 371 HA TYR 51 HA TYR 51 -7.992 2.905 -0.712 372 HB2 TYR 51 HB2 TYR 51 -8.068 -0.115 -1.013 373 HB3 TYR 51 HB3 TYR 51 -9.047 1.026 -1.942 374 HD1 TYR 51 HD1 TYR 51 -6.967 3.174 -2.390 375 HD2 TYR 51 HD2 TYR 51 -6.747 -1.111 -2.740 376 HE1 TYR 51 HE1 TYR 51 -5.169 3.415 -4.053 377 HE2 TYR 51 HE2 TYR 51 -4.946 -0.874 -4.431 378 HH TYR 51 HH TYR 51 -3.733 2.324 -5.492 379 H ASP 52 H ASP 52 -7.962 1.304 2.219 380 HA ASP 52 HA ASP 52 -10.922 1.386 2.521 381 HB2 ASP 52 HB2 ASP 52 -8.627 0.236 4.155 382 HB3 ASP 52 HB3 ASP 52 -10.276 0.326 4.746 383 H LYS 53 H LYS 53 -7.903 2.983 3.434 384 HA LYS 53 HA LYS 53 -9.349 4.489 5.568 385 HB2 LYS 53 HB2 LYS 53 -6.454 3.599 5.416 386 HB3 LYS 53 HB3 LYS 53 -7.190 4.540 6.728 387 HG2 LYS 53 HG2 LYS 53 -8.775 2.715 7.192 388 HG3 LYS 53 HG3 LYS 53 -8.060 1.742 5.883 389 HD2 LYS 53 HD2 LYS 53 -5.857 1.881 6.989 390 HD3 LYS 53 HD3 LYS 53 -6.590 2.790 8.326 391 HE2 LYS 53 HE2 LYS 53 -7.366 -0.035 7.477 392 HE3 LYS 53 HE3 LYS 53 -6.320 0.363 8.849 393 HZ1 LYS 53 HZ1 LYS 53 -8.580 -0.009 9.541 394 HZ2 LYS 53 HZ2 LYS 53 -8.163 1.552 9.829 395 HZ3 LYS 53 HZ3 LYS 53 -9.136 1.180 8.553 396 H GLU 54 H GLU 54 -7.693 4.842 2.555 397 HA GLU 54 HA GLU 54 -7.469 7.764 3.039 398 HB2 GLU 54 HB2 GLU 54 -5.368 5.983 1.754 399 HB3 GLU 54 HB3 GLU 54 -5.298 7.748 1.811 400 HG2 GLU 54 HG2 GLU 54 -5.307 5.923 4.249 401 HG3 GLU 54 HG3 GLU 54 -3.882 6.689 3.544 402 H ILE 55 H ILE 55 -9.127 5.558 1.374 403 HA ILE 55 HA ILE 55 -8.571 6.167 -1.338 404 HB ILE 55 HB ILE 55 -9.693 4.154 -0.573 405 HG12 ILE 55 HG12 ILE 55 -11.437 5.793 -2.449 406 HG13 ILE 55 HG13 ILE 55 -9.911 5.015 -2.904 407 HG21 ILE 55 HG21 ILE 55 -12.092 5.951 -0.010 408 HG22 ILE 55 HG22 ILE 55 -12.055 4.180 0.113 409 HG23 ILE 55 HG23 ILE 55 -11.084 5.164 1.221 410 HD11 ILE 55 HD11 ILE 55 -12.408 3.584 -1.904 411 HD12 ILE 55 HD12 ILE 55 -11.795 3.610 -3.570 412 HD13 ILE 55 HD13 ILE 55 -10.858 2.803 -2.295 413 H GLY 56 H GLY 56 -9.722 7.506 -2.840 414 HA2 GLY 56 HA2 GLY 56 -10.441 10.072 -1.691 415 HA3 GLY 56 HA3 GLY 56 -10.319 9.654 -3.407 416 H THR 57 H THR 57 -12.318 7.277 -2.375 417 HA THR 57 HA THR 57 -14.788 8.813 -2.098 418 HB THR 57 HB THR 57 -14.359 8.942 -4.529 419 HG1 THR 57 HG1 THR 57 -16.364 8.096 -5.116 420 HG21 THR 57 HG21 THR 57 -14.516 5.897 -4.460 421 HG22 THR 57 HG22 THR 57 -14.431 6.918 -5.914 422 HG23 THR 57 HG23 THR 57 -13.054 6.845 -4.796 423 H PHE 58 H PHE 58 -16.700 7.321 -1.897 424 HA PHE 58 HA PHE 58 -16.139 4.505 -1.425 425 HB2 PHE 58 HB2 PHE 58 -15.335 5.699 0.657 426 HB3 PHE 58 HB3 PHE 58 -16.992 6.253 0.911 427 HD1 PHE 58 HD1 PHE 58 -14.919 3.182 0.415 428 HD2 PHE 58 HD2 PHE 58 -18.519 4.847 2.075 429 HE1 PHE 58 HE1 PHE 58 -15.422 1.010 1.510 430 HE2 PHE 58 HE2 PHE 58 -19.009 2.680 3.189 431 HZ PHE 58 HZ PHE 58 -17.456 0.761 2.906 432 H THR 59 H THR 59 -17.810 3.628 -2.381 433 HA THR 59 HA THR 59 -20.553 4.451 -1.655 434 HB THR 59 HB THR 59 -19.985 5.773 -3.652 435 HG1 THR 59 HG1 THR 59 -22.096 5.106 -3.414 436 HG21 THR 59 HG21 THR 59 -18.347 4.227 -4.698 437 HG22 THR 59 HG22 THR 59 -19.659 3.068 -5.029 438 HG23 THR 59 HG23 THR 59 -19.651 4.657 -5.821 439 H ASP 60 H ASP 60 -22.170 2.832 -2.363 440 HA ASP 60 HA ASP 60 -21.090 0.148 -2.946 441 HB2 ASP 60 HB2 ASP 60 -21.047 0.397 -0.474 442 HB3 ASP 60 HB3 ASP 60 -22.769 0.809 -0.497 443 H GLU 61 H GLU 61 -22.697 -1.376 -3.604 444 HA GLU 61 HA GLU 61 -25.333 -0.241 -4.264 445 HB2 GLU 61 HB2 GLU 61 -23.832 0.285 -6.166 446 HB3 GLU 61 HB3 GLU 61 -23.444 -1.437 -6.333 447 HG2 GLU 61 HG2 GLU 61 -25.787 -1.936 -6.849 448 HG3 GLU 61 HG3 GLU 61 -26.230 -0.239 -6.576 449 H VAL 62 H VAL 62 -26.943 -1.816 -4.664 450 HA VAL 62 HA VAL 62 -26.212 -4.656 -4.182 451 HB VAL 62 HB VAL 62 -28.439 -3.128 -2.769 452 HG11 VAL 62 HG11 VAL 62 -27.550 -6.041 -2.609 453 HG12 VAL 62 HG12 VAL 62 -28.778 -5.279 -1.577 454 HG13 VAL 62 HG13 VAL 62 -29.072 -5.450 -3.319 455 HG21 VAL 62 HG21 VAL 62 -26.219 -2.646 -1.796 456 HG22 VAL 62 HG22 VAL 62 -27.162 -3.692 -0.716 457 HG23 VAL 62 HG23 VAL 62 -25.867 -4.387 -1.720 Start of MODEL 4 1 HA ILE 6 HA ILE 6 13.764 -0.726 -8.229 2 HB ILE 6 HB ILE 6 12.314 -2.278 -6.957 3 HG12 ILE 6 HG12 ILE 6 11.838 -3.626 -9.644 4 HG13 ILE 6 HG13 ILE 6 12.731 -4.313 -8.277 5 HG21 ILE 6 HG21 ILE 6 11.443 -0.228 -8.095 6 HG22 ILE 6 HG22 ILE 6 11.027 -1.219 -9.513 7 HG23 ILE 6 HG23 ILE 6 10.217 -1.500 -7.957 8 HD11 ILE 6 HD11 ILE 6 9.778 -3.569 -8.303 9 HD12 ILE 6 HD12 ILE 6 10.472 -5.199 -8.294 10 HD13 ILE 6 HD13 ILE 6 10.674 -4.150 -6.873 11 H LYS 7 H LYS 7 15.402 -2.985 -9.920 12 HA LYS 7 HA LYS 7 16.562 -4.317 -7.530 13 HB2 LYS 7 HB2 LYS 7 16.593 -5.157 -10.453 14 HB3 LYS 7 HB3 LYS 7 17.308 -6.060 -9.098 15 HG2 LYS 7 HG2 LYS 7 15.069 -6.214 -8.032 16 HG3 LYS 7 HG3 LYS 7 14.357 -5.357 -9.413 17 HD2 LYS 7 HD2 LYS 7 15.125 -7.145 -10.935 18 HD3 LYS 7 HD3 LYS 7 15.842 -8.013 -9.559 19 HE2 LYS 7 HE2 LYS 7 13.605 -8.159 -8.500 20 HE3 LYS 7 HE3 LYS 7 12.896 -7.295 -9.877 21 HZ1 LYS 7 HZ1 LYS 7 14.245 -9.912 -9.997 22 HZ2 LYS 7 HZ2 LYS 7 12.625 -9.656 -10.104 23 HZ3 LYS 7 HZ3 LYS 7 13.623 -9.113 -11.291 24 H ARG 8 H ARG 8 17.186 -1.608 -8.295 25 HA ARG 8 HA ARG 8 19.651 -1.435 -9.732 26 HB2 ARG 8 HB2 ARG 8 18.568 0.433 -7.588 27 HB3 ARG 8 HB3 ARG 8 19.718 0.844 -8.881 28 HG2 ARG 8 HG2 ARG 8 17.965 0.340 -10.558 29 HG3 ARG 8 HG3 ARG 8 16.831 0.060 -9.212 30 HD2 ARG 8 HD2 ARG 8 18.287 2.656 -9.858 31 HD3 ARG 8 HD3 ARG 8 16.559 2.349 -10.068 32 HE ARG 8 HE ARG 8 17.965 2.985 -7.592 33 HH11 ARG 8 HH11 ARG 8 15.022 1.536 -8.952 34 HH12 ARG 8 HH12 ARG 8 14.097 1.822 -7.498 35 HH21 ARG 8 HH21 ARG 8 16.723 3.290 -5.710 36 HH22 ARG 8 HH22 ARG 8 15.057 2.753 -5.676 37 H LYS 9 H LYS 9 21.715 -0.642 -8.753 38 HA LYS 9 HA LYS 9 22.531 -2.409 -6.589 39 HB2 LYS 9 HB2 LYS 9 24.041 -0.420 -8.293 40 HB3 LYS 9 HB3 LYS 9 24.777 -1.415 -7.017 41 HG2 LYS 9 HG2 LYS 9 23.914 -3.472 -8.107 42 HG3 LYS 9 HG3 LYS 9 23.202 -2.485 -9.399 43 HD2 LYS 9 HD2 LYS 9 25.313 -3.407 -10.143 44 HD3 LYS 9 HD3 LYS 9 25.455 -1.638 -9.973 45 HE2 LYS 9 HE2 LYS 9 26.563 -1.939 -7.783 46 HE3 LYS 9 HE3 LYS 9 26.387 -3.694 -7.915 47 HZ1 LYS 9 HZ1 LYS 9 27.931 -1.996 -9.761 48 HZ2 LYS 9 HZ2 LYS 9 28.570 -2.955 -8.591 49 HZ3 LYS 9 HZ3 LYS 9 27.782 -3.631 -9.864 50 H ASP 10 H ASP 10 20.696 0.100 -6.253 51 HA ASP 10 HA ASP 10 22.008 0.924 -3.746 52 HB2 ASP 10 HB2 ASP 10 22.407 2.619 -5.573 53 HB3 ASP 10 HB3 ASP 10 20.657 2.847 -5.688 54 H ALA 11 H ALA 11 19.703 -0.833 -4.779 55 HA ALA 11 HA ALA 11 17.373 0.447 -3.484 56 HB1 ALA 11 HB1 ALA 11 16.122 -1.386 -4.529 57 HB2 ALA 11 HB2 ALA 11 17.131 -0.539 -5.721 58 HB3 ALA 11 HB3 ALA 11 17.648 -2.117 -5.087 59 H SER 12 H SER 12 15.935 -1.238 -2.246 60 HA SER 12 HA SER 12 17.526 -3.051 -0.561 61 HB2 SER 12 HB2 SER 12 17.268 -1.903 1.406 62 HB3 SER 12 HB3 SER 12 17.265 -0.520 0.309 63 HG SER 12 HG SER 12 15.505 -0.654 1.878 64 HA PRO 13 HA PRO 13 13.974 -5.593 -0.714 65 HB2 PRO 13 HB2 PRO 13 13.351 -6.187 1.943 66 HB3 PRO 13 HB3 PRO 13 14.776 -6.900 1.086 67 HG2 PRO 13 HG2 PRO 13 14.652 -4.409 2.837 68 HG3 PRO 13 HG3 PRO 13 15.783 -5.812 3.005 69 HD2 PRO 13 HD2 PRO 13 16.588 -3.615 1.726 70 HD3 PRO 13 HD3 PRO 13 16.887 -5.202 0.942 71 H GLU 14 H GLU 14 13.790 -3.039 1.728 72 HA GLU 14 HA GLU 14 10.857 -3.055 1.705 73 HB2 GLU 14 HB2 GLU 14 13.042 -1.655 3.246 74 HB3 GLU 14 HB3 GLU 14 11.409 -0.980 3.224 75 HG2 GLU 14 HG2 GLU 14 11.495 -2.399 5.132 76 HG3 GLU 14 HG3 GLU 14 10.519 -3.237 3.925 77 H GLN 15 H GLN 15 13.482 -1.470 0.013 78 HA GLN 15 HA GLN 15 11.853 0.746 -0.935 79 HB2 GLN 15 HB2 GLN 15 14.611 -0.078 -1.039 80 HB3 GLN 15 HB3 GLN 15 14.060 0.079 -2.710 81 HG2 GLN 15 HG2 GLN 15 14.927 2.220 -1.765 82 HG3 GLN 15 HG3 GLN 15 13.216 2.304 -2.281 83 HE21 GLN 15 HE22 GLN 15 14.505 0.718 0.637 84 HE22 GLN 15 HE21 GLN 15 13.617 1.677 1.794 85 H GLU 16 H GLU 16 12.498 -2.549 -1.883 86 HA GLU 16 HA GLU 16 11.496 -2.279 -4.570 87 HB2 GLU 16 HB2 GLU 16 11.793 -4.671 -2.704 88 HB3 GLU 16 HB3 GLU 16 11.158 -4.818 -4.353 89 HG2 GLU 16 HG2 GLU 16 13.196 -3.763 -5.245 90 HG3 GLU 16 HG3 GLU 16 13.883 -3.680 -3.621 91 H ALA 17 H ALA 17 10.013 -2.521 -1.445 92 HA ALA 17 HA ALA 17 7.342 -3.060 -2.608 93 HB1 ALA 17 HB1 ALA 17 8.252 -2.695 0.271 94 HB2 ALA 17 HB2 ALA 17 6.622 -3.180 -0.258 95 HB3 ALA 17 HB3 ALA 17 8.005 -4.250 -0.557 96 H ILE 18 H ILE 18 9.215 -0.399 -1.101 97 HA ILE 18 HA ILE 18 6.900 1.317 -0.797 98 HB ILE 18 HB ILE 18 9.891 1.641 -0.547 99 HG12 ILE 18 HG12 ILE 18 7.580 1.988 1.421 100 HG13 ILE 18 HG13 ILE 18 8.468 0.480 1.201 101 HG21 ILE 18 HG21 ILE 18 9.536 3.951 0.237 102 HG22 ILE 18 HG22 ILE 18 9.084 3.783 -1.457 103 HG23 ILE 18 HG23 ILE 18 7.814 3.843 -0.213 104 HD11 ILE 18 HD11 ILE 18 9.372 1.655 3.123 105 HD12 ILE 18 HD12 ILE 18 10.589 1.673 1.826 106 HD13 ILE 18 HD13 ILE 18 9.627 3.130 2.173 107 H GLU 19 H GLU 19 9.363 0.845 -3.377 108 HA GLU 19 HA GLU 19 8.625 3.305 -4.715 109 HB2 GLU 19 HB2 GLU 19 10.152 0.830 -5.589 110 HB3 GLU 19 HB3 GLU 19 9.888 2.243 -6.635 111 HG2 GLU 19 HG2 GLU 19 10.991 3.704 -5.022 112 HG3 GLU 19 HG3 GLU 19 11.207 2.361 -3.892 113 H SER 20 H SER 20 7.377 -0.037 -4.803 114 HA SER 20 HA SER 20 5.782 0.458 -7.189 115 HB2 SER 20 HB2 SER 20 5.866 -1.760 -5.105 116 HB3 SER 20 HB3 SER 20 4.874 -1.789 -6.573 117 HG SER 20 HG SER 20 6.916 -2.836 -6.841 118 H PHE 21 H PHE 21 5.432 0.868 -3.705 119 HA PHE 21 HA PHE 21 2.544 0.973 -3.673 120 HB2 PHE 21 HB2 PHE 21 4.203 0.650 -1.724 121 HB3 PHE 21 HB3 PHE 21 4.564 2.328 -1.859 122 HD1 PHE 21 HD2 PHE 21 2.495 3.993 -1.637 123 HD2 PHE 21 HD1 PHE 21 2.485 -0.080 -0.258 124 HE1 PHE 21 HE2 PHE 21 0.515 4.472 -0.218 125 HE2 PHE 21 HE1 PHE 21 0.530 0.406 1.168 126 HZ PHE 21 HZ PHE 21 -0.477 2.673 1.173 127 H THR 22 H THR 22 5.183 3.352 -3.864 128 HA THR 22 HA THR 22 3.469 5.663 -4.141 129 HB THR 22 HB THR 22 6.295 5.566 -5.152 130 HG1 THR 22 HG1 THR 22 6.434 4.487 -3.177 131 HG21 THR 22 HG21 THR 22 5.028 7.712 -5.200 132 HG22 THR 22 HG22 THR 22 4.744 7.560 -3.451 133 HG23 THR 22 HG23 THR 22 6.393 7.800 -4.069 134 H SER 23 H SER 23 4.242 3.123 -6.289 135 HA SER 23 HA SER 23 4.107 4.833 -8.671 136 HB2 SER 23 HB2 SER 23 4.315 1.849 -8.255 137 HB3 SER 23 HB3 SER 23 4.211 2.592 -9.859 138 HG SER 23 HG SER 23 6.247 2.968 -7.928 139 H LEU 24 H LEU 24 2.098 2.670 -6.722 140 HA LEU 24 HA LEU 24 -0.108 2.756 -8.699 141 HB2 LEU 24 HB2 LEU 24 0.400 1.171 -6.152 142 HB3 LEU 24 HB3 LEU 24 -1.100 1.092 -7.088 143 HG LEU 24 HG LEU 24 1.668 0.452 -8.211 144 HD11 LEU 24 HD11 LEU 24 -0.563 -1.398 -7.264 145 HD12 LEU 24 HD12 LEU 24 0.921 -1.914 -8.104 146 HD13 LEU 24 HD13 LEU 24 1.027 -1.178 -6.492 147 HD21 LEU 24 HD21 LEU 24 0.065 1.147 -9.943 148 HD22 LEU 24 HD22 LEU 24 0.358 -0.598 -10.045 149 HD23 LEU 24 HD23 LEU 24 -1.141 0.006 -9.304 150 H THR 25 H THR 25 0.920 4.165 -5.684 151 HA THR 25 HA THR 25 -1.576 5.751 -5.730 152 HB THR 25 HB THR 25 -1.545 5.932 -3.304 153 HG1 THR 25 HG1 THR 25 0.665 4.171 -3.483 154 HG21 THR 25 HG21 THR 25 -1.403 3.010 -4.160 155 HG22 THR 25 HG22 THR 25 -2.176 3.636 -2.688 156 HG23 THR 25 HG23 THR 25 -2.833 4.062 -4.284 157 H LYS 26 H LYS 26 -1.174 8.036 -5.099 158 HA LYS 26 HA LYS 26 1.618 8.700 -5.846 159 HB2 LYS 26 HB2 LYS 26 -0.845 10.432 -6.149 160 HB3 LYS 26 HB3 LYS 26 0.775 10.752 -6.779 161 HG2 LYS 26 HG2 LYS 26 -1.149 8.558 -7.628 162 HG3 LYS 26 HG3 LYS 26 -0.585 9.937 -8.581 163 HD2 LYS 26 HD2 LYS 26 1.759 8.965 -8.475 164 HD3 LYS 26 HD3 LYS 26 1.073 7.542 -7.675 165 HE2 LYS 26 HE2 LYS 26 -0.447 7.189 -9.612 166 HE3 LYS 26 HE3 LYS 26 0.249 8.605 -10.409 167 HZ1 LYS 26 HZ1 LYS 26 2.381 7.472 -10.384 168 HZ2 LYS 26 HZ2 LYS 26 1.701 6.141 -9.692 169 HZ3 LYS 26 HZ3 LYS 26 1.258 6.603 -11.201 170 H CYS 27 H CYS 27 0.553 8.163 -3.061 171 HA CYS 27 HA CYS 27 0.861 10.697 -1.667 172 HB2 CYS 27 HB2 CYS 27 0.824 9.271 0.339 173 HB3 CYS 27 HB3 CYS 27 -0.487 8.833 -0.772 174 HG CYS 27 HG CYS 27 0.518 6.676 0.319 175 H ASP 28 H ASP 28 2.639 10.470 0.286 176 HA ASP 28 HA ASP 28 5.188 10.580 -1.097 177 HB2 ASP 28 HB2 ASP 28 4.369 12.099 0.751 178 HB3 ASP 28 HB3 ASP 28 4.627 10.764 1.884 179 HA PRO 29 HA PRO 29 6.518 6.420 -0.555 180 HB2 PRO 29 HB2 PRO 29 9.101 7.662 0.417 181 HB3 PRO 29 HB3 PRO 29 8.892 6.319 -0.735 182 HG2 PRO 29 HG2 PRO 29 9.408 8.805 -1.680 183 HG3 PRO 29 HG3 PRO 29 8.013 7.927 -2.411 184 HD2 PRO 29 HD2 PRO 29 7.979 9.927 -0.124 185 HD3 PRO 29 HD3 PRO 29 6.981 9.970 -1.607 186 H LYS 30 H LYS 30 7.088 8.774 2.009 187 HA LYS 30 HA LYS 30 7.889 6.963 4.033 188 HB2 LYS 30 HB2 LYS 30 6.797 9.767 3.932 189 HB3 LYS 30 HB3 LYS 30 7.318 8.978 5.461 190 HG2 LYS 30 HG2 LYS 30 9.522 8.464 4.353 191 HG3 LYS 30 HG3 LYS 30 9.004 9.448 2.957 192 HD2 LYS 30 HD2 LYS 30 8.636 11.367 4.474 193 HD3 LYS 30 HD3 LYS 30 9.112 10.330 5.840 194 HE2 LYS 30 HE2 LYS 30 11.010 11.755 5.182 195 HE3 LYS 30 HE3 LYS 30 11.373 10.055 4.823 196 HZ1 LYS 30 HZ1 LYS 30 11.962 11.520 3.008 197 HZ2 LYS 30 HZ2 LYS 30 10.784 10.469 2.545 198 HZ3 LYS 30 HZ3 LYS 30 10.411 12.043 2.872 199 H VAL 31 H VAL 31 4.760 7.809 2.670 200 HA VAL 31 HA VAL 31 3.193 6.899 4.964 201 HB VAL 31 HB VAL 31 2.437 7.455 2.063 202 HG11 VAL 31 HG11 VAL 31 0.788 5.987 3.124 203 HG12 VAL 31 HG12 VAL 31 0.717 7.060 4.543 204 HG13 VAL 31 HG13 VAL 31 0.131 7.628 2.963 205 HG21 VAL 31 HG21 VAL 31 3.289 9.454 3.259 206 HG22 VAL 31 HG22 VAL 31 1.543 9.578 2.983 207 HG23 VAL 31 HG23 VAL 31 2.159 9.138 4.594 208 H SER 32 H SER 32 4.603 5.494 2.003 209 HA SER 32 HA SER 32 3.063 3.064 2.076 210 HB2 SER 32 HB2 SER 32 4.265 3.760 0.073 211 HB3 SER 32 HB3 SER 32 5.815 3.719 0.918 212 HG SER 32 HG SER 32 4.111 1.496 0.515 213 H ARG 33 H ARG 33 6.209 4.066 3.391 214 HA ARG 33 HA ARG 33 7.026 1.638 4.598 215 HB2 ARG 33 HB2 ARG 33 8.423 3.684 4.404 216 HB3 ARG 33 HB3 ARG 33 7.338 4.530 5.510 217 HG2 ARG 33 HG2 ARG 33 7.958 2.899 7.322 218 HG3 ARG 33 HG3 ARG 33 9.085 2.126 6.193 219 HD2 ARG 33 HD2 ARG 33 10.283 3.691 7.631 220 HD3 ARG 33 HD3 ARG 33 10.306 4.264 5.947 221 HE ARG 33 HE ARG 33 8.071 5.397 7.337 222 HH11 ARG 33 HH11 ARG 33 11.597 5.629 7.147 223 HH12 ARG 33 HH12 ARG 33 11.625 7.305 7.646 224 HH21 ARG 33 HH21 ARG 33 8.146 7.580 7.982 225 HH22 ARG 33 HH22 ARG 33 9.682 8.403 8.119 226 H LYS 34 H LYS 34 4.509 3.891 5.498 227 HA LYS 34 HA LYS 34 4.227 2.767 8.211 228 HB2 LYS 34 HB2 LYS 34 4.148 5.161 7.992 229 HB3 LYS 34 HB3 LYS 34 3.008 5.069 6.645 230 HG2 LYS 34 HG2 LYS 34 1.247 4.245 8.124 231 HG3 LYS 34 HG3 LYS 34 2.372 4.259 9.508 232 HD2 LYS 34 HD2 LYS 34 2.612 6.668 9.365 233 HD3 LYS 34 HD3 LYS 34 1.774 6.711 7.805 234 HE2 LYS 34 HE2 LYS 34 0.270 7.462 9.579 235 HE3 LYS 34 HE3 LYS 34 -0.302 5.963 8.836 236 HZ1 LYS 34 HZ1 LYS 34 0.609 4.764 10.714 237 HZ2 LYS 34 HZ2 LYS 34 1.173 6.155 11.389 238 HZ3 LYS 34 HZ3 LYS 34 -0.443 5.907 11.245 239 H TYR 35 H TYR 35 2.766 2.450 5.024 240 HA TYR 35 HA TYR 35 0.494 0.985 6.234 241 HB2 TYR 35 HB2 TYR 35 0.937 2.347 3.610 242 HB3 TYR 35 HB3 TYR 35 -0.156 0.965 3.667 243 HD1 TYR 35 HD2 TYR 35 -2.207 0.983 4.959 244 HD2 TYR 35 HD1 TYR 35 0.340 4.442 4.790 245 HE1 TYR 35 HE2 TYR 35 -4.041 2.375 5.878 246 HE2 TYR 35 HE1 TYR 35 -1.486 5.841 5.704 247 HH TYR 35 HH TYR 35 -3.649 5.884 6.486 248 H LEU 36 H LEU 36 3.598 0.297 5.067 249 HA LEU 36 HA LEU 36 2.815 -2.482 4.340 250 HB2 LEU 36 HB2 LEU 36 5.390 -0.861 4.265 251 HB3 LEU 36 HB3 LEU 36 5.380 -2.610 4.013 252 HG LEU 36 HG LEU 36 3.653 -0.758 2.345 253 HD11 LEU 36 HD11 LEU 36 6.029 -0.084 2.106 254 HD12 LEU 36 HD12 LEU 36 6.476 -1.772 1.766 255 HD13 LEU 36 HD13 LEU 36 5.438 -0.883 0.633 256 HD21 LEU 36 HD21 LEU 36 3.177 -3.248 2.412 257 HD22 LEU 36 HD22 LEU 36 3.670 -2.652 0.806 258 HD23 LEU 36 HD23 LEU 36 4.833 -3.523 1.823 259 H GLN 37 H GLN 37 3.615 -0.569 7.025 260 HA GLN 37 HA GLN 37 5.071 -2.644 8.484 261 HB2 GLN 37 HB2 GLN 37 4.785 0.224 8.555 262 HB3 GLN 37 HB3 GLN 37 4.480 -0.446 10.183 263 HG2 GLN 37 HG2 GLN 37 6.608 -1.542 10.205 264 HG3 GLN 37 HG3 GLN 37 6.764 -1.381 8.450 265 HE21 GLN 37 HE22 GLN 37 8.933 -0.625 9.086 266 HE22 GLN 37 HE21 GLN 37 9.109 1.107 9.230 267 H ARG 38 H ARG 38 1.893 -2.233 7.780 268 HA ARG 38 HA ARG 38 1.025 -3.449 10.368 269 HB2 ARG 38 HB2 ARG 38 -1.002 -2.254 8.547 270 HB3 ARG 38 HB3 ARG 38 -0.951 -2.278 10.305 271 HG2 ARG 38 HG2 ARG 38 0.667 -0.461 8.463 272 HG3 ARG 38 HG3 ARG 38 -0.791 0.000 9.335 273 HD2 ARG 38 HD2 ARG 38 1.829 -0.829 10.648 274 HD3 ARG 38 HD3 ARG 38 1.202 0.815 10.500 275 HE ARG 38 HE ARG 38 -0.664 0.193 11.961 276 HH11 ARG 38 HH11 ARG 38 2.103 -2.035 11.924 277 HH12 ARG 38 HH12 ARG 38 1.725 -2.695 13.492 278 HH21 ARG 38 HH21 ARG 38 -1.112 -0.693 13.997 279 HH22 ARG 38 HH22 ARG 38 -0.088 -1.945 14.660 280 H ASN 39 H ASN 39 1.906 -4.252 7.315 281 HA ASN 39 HA ASN 39 -0.222 -6.274 6.968 282 HB2 ASN 39 HB2 ASN 39 0.700 -4.247 4.890 283 HB3 ASN 39 HB3 ASN 39 -0.471 -5.533 4.595 284 HD21 ASN 39 HD22 ASN 39 0.039 -2.336 5.717 285 HD22 ASN 39 HD21 ASN 39 -1.521 -2.001 6.404 286 H HIS 40 H HIS 40 2.524 -6.554 7.846 287 HA HIS 40 HA HIS 40 4.282 -7.931 7.516 288 HB2 HIS 40 HB2 HIS 40 2.630 -9.426 5.486 289 HB3 HIS 40 HB3 HIS 40 3.823 -10.066 6.623 290 HD2 HIS 40 HD2 HIS 40 2.347 -8.325 9.161 291 HE1 HIS 40 HE1 HIS 40 -0.796 -11.099 8.456 292 HE2 HIS 40 HE2 HIS 40 0.180 -9.421 10.117 293 H TRP 41 H TRP 41 4.040 -5.577 5.738 294 HA TRP 41 HA TRP 41 5.007 -4.635 3.970 295 HB2 TRP 41 HB2 TRP 41 7.129 -6.645 4.730 296 HB3 TRP 41 HB3 TRP 41 7.353 -5.470 3.451 297 HD1 TRP 41 HD1 TRP 41 6.772 -5.558 7.234 298 HE1 TRP 41 HE1 TRP 41 7.508 -3.311 8.229 299 HE3 TRP 41 HE3 TRP 41 7.934 -3.218 2.941 300 HZ2 TRP 41 HZ2 TRP 41 8.228 -0.650 7.188 301 HZ3 TRP 41 HZ3 TRP 41 8.687 -0.826 2.915 302 HH2 TRP 41 HH2 TRP 41 8.810 0.451 5.033 303 H ASN 42 H ASN 42 3.094 -6.857 3.357 304 HA ASN 42 HA ASN 42 3.977 -7.501 0.611 305 HB2 ASN 42 HB2 ASN 42 1.572 -8.204 2.338 306 HB3 ASN 42 HB3 ASN 42 1.525 -8.379 0.591 307 HD21 ASN 42 HD22 ASN 42 1.136 -10.672 1.233 308 HD22 ASN 42 HD21 ASN 42 2.555 -11.690 1.366 309 H ILE 43 H ILE 43 3.569 -6.102 -1.059 310 HA ILE 43 HA ILE 43 1.962 -3.751 -0.612 311 HB ILE 43 HB ILE 43 3.429 -4.996 -2.923 312 HG12 ILE 43 HG12 ILE 43 4.424 -3.426 -1.179 313 HG13 ILE 43 HG13 ILE 43 4.635 -2.864 -2.859 314 HG21 ILE 43 HG21 ILE 43 1.389 -2.749 -3.252 315 HG22 ILE 43 HG22 ILE 43 2.635 -3.173 -4.441 316 HG23 ILE 43 HG23 ILE 43 1.363 -4.342 -4.039 317 HD11 ILE 43 HD11 ILE 43 2.973 -1.226 -2.637 318 HD12 ILE 43 HD12 ILE 43 2.337 -1.933 -1.133 319 HD13 ILE 43 HD13 ILE 43 3.948 -1.186 -1.134 320 H ASN 44 H ASN 44 1.198 -7.031 -1.418 321 HA ASN 44 HA ASN 44 -1.283 -6.253 -2.746 322 HB2 ASN 44 HB2 ASN 44 -0.177 -8.957 -1.869 323 HB3 ASN 44 HB3 ASN 44 -1.638 -8.747 -2.839 324 HD21 ASN 44 HD22 ASN 44 0.723 -10.224 -3.622 325 HD22 ASN 44 HD21 ASN 44 1.370 -9.435 -5.051 326 H TYR 45 H TYR 45 -0.253 -6.468 0.432 327 HA TYR 45 HA TYR 45 -3.023 -6.886 1.483 328 HB2 TYR 45 HB2 TYR 45 -0.238 -7.215 2.680 329 HB3 TYR 45 HB3 TYR 45 -1.707 -7.352 3.616 330 HD1 TYR 45 HD1 TYR 45 -2.819 -8.857 0.759 331 HD2 TYR 45 HD2 TYR 45 0.097 -9.480 3.859 332 HE1 TYR 45 HE1 TYR 45 -2.896 -11.289 0.336 333 HE2 TYR 45 HE2 TYR 45 0.018 -11.928 3.445 334 HH TYR 45 HH TYR 45 -2.083 -13.355 0.925 335 H ALA 46 H ALA 46 -0.449 -4.633 0.953 336 HA ALA 46 HA ALA 46 -1.218 -2.901 3.209 337 HB1 ALA 46 HB1 ALA 46 0.937 -2.815 1.088 338 HB2 ALA 46 HB2 ALA 46 0.752 -1.597 2.379 339 HB3 ALA 46 HB3 ALA 46 1.118 -3.287 2.806 340 H LEU 47 H LEU 47 -1.585 -3.034 -0.346 341 HA LEU 47 HA LEU 47 -2.273 -0.228 -0.548 342 HB2 LEU 47 HB2 LEU 47 -2.740 -2.635 -2.355 343 HB3 LEU 47 HB3 LEU 47 -3.212 -0.983 -2.792 344 HG LEU 47 HG LEU 47 -0.371 -1.822 -2.145 345 HD11 LEU 47 HD11 LEU 47 -1.771 -1.215 -4.788 346 HD12 LEU 47 HD12 LEU 47 -0.033 -1.528 -4.584 347 HD13 LEU 47 HD13 LEU 47 -1.212 -2.816 -4.247 348 HD21 LEU 47 HD21 LEU 47 -0.770 0.558 -1.663 349 HD22 LEU 47 HD22 LEU 47 0.180 0.394 -3.152 350 HD23 LEU 47 HD23 LEU 47 -1.557 0.763 -3.243 351 H ASN 48 H ASN 48 -4.073 -3.211 0.159 352 HA ASN 48 HA ASN 48 -6.695 -2.108 -0.188 353 HB2 ASN 48 HB2 ASN 48 -5.890 -4.274 1.785 354 HB3 ASN 48 HB3 ASN 48 -7.449 -4.085 0.945 355 HD21 ASN 48 HD22 ASN 48 -4.081 -4.995 0.759 356 HD22 ASN 48 HD21 ASN 48 -4.124 -5.772 -0.811 357 H ASP 49 H ASP 49 -4.367 -2.212 2.473 358 HA ASP 49 HA ASP 49 -6.105 -1.189 4.518 359 HB2 ASP 49 HB2 ASP 49 -3.820 -2.367 4.712 360 HB3 ASP 49 HB3 ASP 49 -3.088 -0.833 4.263 361 H TYR 50 H TYR 50 -4.135 0.299 1.999 362 HA TYR 50 HA TYR 50 -4.560 3.022 2.956 363 HB2 TYR 50 HB2 TYR 50 -2.570 2.278 1.701 364 HB3 TYR 50 HB3 TYR 50 -3.561 1.902 0.306 365 HD1 TYR 50 HD2 TYR 50 -2.100 4.629 2.316 366 HD2 TYR 50 HD1 TYR 50 -4.499 3.630 -1.112 367 HE1 TYR 50 HE2 TYR 50 -1.851 6.951 1.471 368 HE2 TYR 50 HE1 TYR 50 -4.257 5.954 -1.966 369 HH TYR 50 HH TYR 50 -3.374 8.028 -1.592 370 H TYR 51 H TYR 51 -6.084 0.766 0.689 371 HA TYR 51 HA TYR 51 -7.907 2.756 -0.391 372 HB2 TYR 51 HB2 TYR 51 -7.946 -0.277 -0.547 373 HB3 TYR 51 HB3 TYR 51 -8.969 0.811 -1.485 374 HD1 TYR 51 HD1 TYR 51 -6.867 2.956 -2.061 375 HD2 TYR 51 HD2 TYR 51 -6.760 -1.339 -2.332 376 HE1 TYR 51 HE1 TYR 51 -5.127 3.120 -3.798 377 HE2 TYR 51 HE2 TYR 51 -5.002 -1.181 -4.079 378 HH TYR 51 HH TYR 51 -3.762 1.966 -5.249 379 H ASP 52 H ASP 52 -7.720 1.316 2.620 380 HA ASP 52 HA ASP 52 -10.661 1.295 3.033 381 HB2 ASP 52 HB2 ASP 52 -8.251 0.371 4.636 382 HB3 ASP 52 HB3 ASP 52 -9.876 0.424 5.299 383 H LYS 53 H LYS 53 -7.664 3.031 3.796 384 HA LYS 53 HA LYS 53 -9.148 4.693 5.784 385 HB2 LYS 53 HB2 LYS 53 -6.266 3.773 5.734 386 HB3 LYS 53 HB3 LYS 53 -6.971 4.880 6.930 387 HG2 LYS 53 HG2 LYS 53 -8.594 3.167 7.617 388 HG3 LYS 53 HG3 LYS 53 -7.931 2.032 6.414 389 HD2 LYS 53 HD2 LYS 53 -5.731 2.152 7.492 390 HD3 LYS 53 HD3 LYS 53 -6.359 3.318 8.676 391 HE2 LYS 53 HE2 LYS 53 -6.303 1.099 9.680 392 HE3 LYS 53 HE3 LYS 53 -7.984 1.609 9.477 393 HZ1 LYS 53 HZ1 LYS 53 -8.092 0.264 7.499 394 HZ2 LYS 53 HZ2 LYS 53 -6.516 -0.188 7.665 395 HZ3 LYS 53 HZ3 LYS 53 -7.626 -0.660 8.778 396 H GLU 54 H GLU 54 -7.544 4.840 2.742 397 HA GLU 54 HA GLU 54 -7.301 7.788 3.027 398 HB2 GLU 54 HB2 GLU 54 -5.236 5.944 1.776 399 HB3 GLU 54 HB3 GLU 54 -5.162 7.704 1.766 400 HG2 GLU 54 HG2 GLU 54 -5.111 5.971 4.266 401 HG3 GLU 54 HG3 GLU 54 -3.698 6.699 3.491 402 H ILE 55 H ILE 55 -9.034 5.528 1.557 403 HA ILE 55 HA ILE 55 -8.521 5.959 -1.208 404 HB ILE 55 HB ILE 55 -9.634 3.993 -0.284 405 HG12 ILE 55 HG12 ILE 55 -11.420 5.507 -2.224 406 HG13 ILE 55 HG13 ILE 55 -9.905 4.691 -2.660 407 HG21 ILE 55 HG21 ILE 55 -12.020 5.837 0.201 408 HG22 ILE 55 HG22 ILE 55 -11.982 4.078 0.454 409 HG23 ILE 55 HG23 ILE 55 -10.988 5.133 1.465 410 HD11 ILE 55 HD11 ILE 55 -12.392 3.350 -1.511 411 HD12 ILE 55 HD12 ILE 55 -11.802 3.243 -3.176 412 HD13 ILE 55 HD13 ILE 55 -10.845 2.532 -1.858 413 H GLY 56 H GLY 56 -9.724 7.192 -2.765 414 HA2 GLY 56 HA2 GLY 56 -10.434 9.824 -1.752 415 HA3 GLY 56 HA3 GLY 56 -10.333 9.317 -3.443 416 H THR 57 H THR 57 -12.283 6.975 -2.278 417 HA THR 57 HA THR 57 -14.766 8.530 -2.101 418 HB THR 57 HB THR 57 -14.339 8.408 -4.528 419 HG1 THR 57 HG1 THR 57 -16.362 7.476 -5.005 420 HG21 THR 57 HG21 THR 57 -13.050 6.289 -4.588 421 HG22 THR 57 HG22 THR 57 -14.518 5.388 -4.138 422 HG23 THR 57 HG23 THR 57 -14.438 6.245 -5.694 423 H PHE 58 H PHE 58 -16.660 7.138 -1.729 424 HA PHE 58 HA PHE 58 -15.918 4.543 -0.475 425 HB2 PHE 58 HB2 PHE 58 -17.789 6.692 0.561 426 HB3 PHE 58 HB3 PHE 58 -17.562 5.092 1.281 427 HD1 PHE 58 HD1 PHE 58 -15.402 4.455 2.297 428 HD2 PHE 58 HD2 PHE 58 -16.089 8.404 0.756 429 HE1 PHE 58 HE1 PHE 58 -13.398 5.256 3.496 430 HE2 PHE 58 HE2 PHE 58 -14.086 9.231 1.985 431 HZ PHE 58 HZ PHE 58 -12.738 7.658 3.356 432 H THR 59 H THR 59 -17.405 5.805 -3.026 433 HA THR 59 HA THR 59 -19.474 3.680 -3.126 434 HB THR 59 HB THR 59 -20.588 5.734 -2.385 435 HG1 THR 59 HG1 THR 59 -22.139 5.707 -4.032 436 HG21 THR 59 HG21 THR 59 -19.639 6.888 -5.043 437 HG22 THR 59 HG22 THR 59 -20.795 7.651 -3.931 438 HG23 THR 59 HG23 THR 59 -19.109 7.416 -3.427 439 H ASP 60 H ASP 60 -20.333 3.451 -5.423 440 HA ASP 60 HA ASP 60 -18.051 3.150 -7.187 441 HB2 ASP 60 HB2 ASP 60 -21.020 2.693 -7.629 442 HB3 ASP 60 HB3 ASP 60 -19.726 2.183 -8.724 443 H GLU 61 H GLU 61 -18.029 3.880 -9.437 444 HA GLU 61 HA GLU 61 -19.048 6.669 -9.631 445 HB2 GLU 61 HB2 GLU 61 -16.566 5.415 -10.858 446 HB3 GLU 61 HB3 GLU 61 -17.107 7.090 -11.097 447 HG2 GLU 61 HG2 GLU 61 -16.929 7.469 -8.650 448 HG3 GLU 61 HG3 GLU 61 -16.319 5.819 -8.439 449 H VAL 62 H VAL 62 -19.959 3.751 -10.605 450 HA VAL 62 HA VAL 62 -21.071 4.758 -13.138 451 HB VAL 62 HB VAL 62 -18.974 3.650 -13.770 452 HG11 VAL 62 HG11 VAL 62 -18.796 2.037 -11.890 453 HG12 VAL 62 HG12 VAL 62 -20.180 1.132 -12.546 454 HG13 VAL 62 HG13 VAL 62 -18.667 1.239 -13.469 455 HG21 VAL 62 HG21 VAL 62 -19.911 2.118 -15.434 456 HG22 VAL 62 HG22 VAL 62 -21.429 2.011 -14.522 457 HG23 VAL 62 HG23 VAL 62 -20.948 3.553 -15.263 Start of MODEL 5 1 HA ILE 6 HA ILE 6 14.945 -3.146 -11.346 2 HB ILE 6 HB ILE 6 14.653 -4.020 -13.620 3 HG12 ILE 6 HG12 ILE 6 12.683 -1.714 -13.975 4 HG13 ILE 6 HG13 ILE 6 14.248 -1.877 -14.789 5 HG21 ILE 6 HG21 ILE 6 11.999 -3.441 -12.236 6 HG22 ILE 6 HG22 ILE 6 12.376 -4.818 -13.298 7 HG23 ILE 6 HG23 ILE 6 13.174 -4.675 -11.727 8 HD11 ILE 6 HD11 ILE 6 11.849 -3.731 -15.093 9 HD12 ILE 6 HD12 ILE 6 12.501 -2.602 -16.298 10 HD13 ILE 6 HD13 ILE 6 13.455 -4.022 -15.811 11 H LYS 7 H LYS 7 15.286 -0.006 -11.853 12 HA LYS 7 HA LYS 7 17.915 -0.336 -13.210 13 HB2 LYS 7 HB2 LYS 7 15.979 2.001 -13.465 14 HB3 LYS 7 HB3 LYS 7 17.615 1.928 -14.154 15 HG2 LYS 7 HG2 LYS 7 16.955 -0.072 -15.477 16 HG3 LYS 7 HG3 LYS 7 15.300 0.068 -14.837 17 HD2 LYS 7 HD2 LYS 7 15.126 2.350 -15.794 18 HD3 LYS 7 HD3 LYS 7 16.757 2.185 -16.476 19 HE2 LYS 7 HE2 LYS 7 14.389 0.374 -17.112 20 HE3 LYS 7 HE3 LYS 7 14.948 1.709 -18.133 21 HZ1 LYS 7 HZ1 LYS 7 15.823 -0.383 -18.876 22 HZ2 LYS 7 HZ2 LYS 7 17.049 0.580 -18.357 23 HZ3 LYS 7 HZ3 LYS 7 16.527 -0.668 -17.419 24 H ARG 8 H ARG 8 16.607 0.033 -10.285 25 HA ARG 8 HA ARG 8 17.962 2.378 -9.303 26 HB2 ARG 8 HB2 ARG 8 15.837 1.323 -8.404 27 HB3 ARG 8 HB3 ARG 8 16.818 -0.024 -7.825 28 HG2 ARG 8 HG2 ARG 8 16.392 1.476 -6.007 29 HG3 ARG 8 HG3 ARG 8 18.113 1.581 -6.407 30 HD2 ARG 8 HD2 ARG 8 17.276 3.818 -6.014 31 HD3 ARG 8 HD3 ARG 8 17.605 3.662 -7.747 32 HE ARG 8 HE ARG 8 14.846 3.043 -6.945 33 HH11 ARG 8 HH11 ARG 8 17.059 5.590 -8.020 34 HH12 ARG 8 HH12 ARG 8 15.769 6.611 -8.606 35 HH21 ARG 8 HH21 ARG 8 13.224 4.362 -7.677 36 HH22 ARG 8 HH22 ARG 8 13.577 5.915 -8.419 37 H LYS 9 H LYS 9 19.769 2.425 -7.866 38 HA LYS 9 HA LYS 9 21.446 -0.013 -7.764 39 HB2 LYS 9 HB2 LYS 9 23.406 1.106 -8.477 40 HB3 LYS 9 HB3 LYS 9 22.173 1.414 -9.696 41 HG2 LYS 9 HG2 LYS 9 23.059 3.367 -7.518 42 HG3 LYS 9 HG3 LYS 9 23.575 3.383 -9.207 43 HD2 LYS 9 HD2 LYS 9 21.170 3.720 -9.893 44 HD3 LYS 9 HD3 LYS 9 20.757 3.883 -8.168 45 HE2 LYS 9 HE2 LYS 9 21.043 6.090 -9.111 46 HE3 LYS 9 HE3 LYS 9 22.359 5.764 -7.969 47 HZ1 LYS 9 HZ1 LYS 9 22.536 5.523 -10.901 48 HZ2 LYS 9 HZ2 LYS 9 23.140 6.756 -10.011 49 HZ3 LYS 9 HZ3 LYS 9 23.766 5.246 -9.840 50 H ASP 10 H ASP 10 19.711 1.682 -5.931 51 HA ASP 10 HA ASP 10 21.621 1.686 -3.692 52 HB2 ASP 10 HB2 ASP 10 21.395 3.992 -4.747 53 HB3 ASP 10 HB3 ASP 10 19.703 3.986 -4.249 54 H ALA 11 H ALA 11 19.436 -0.020 -4.701 55 HA ALA 11 HA ALA 11 16.972 0.551 -3.385 56 HB1 ALA 11 HB1 ALA 11 18.067 -2.000 -4.613 57 HB2 ALA 11 HB2 ALA 11 16.354 -1.649 -4.273 58 HB3 ALA 11 HB3 ALA 11 17.252 -0.685 -5.485 59 H SER 12 H SER 12 15.870 -1.033 -1.970 60 HA SER 12 HA SER 12 17.543 -2.458 -0.013 61 HB2 SER 12 HB2 SER 12 17.073 -1.096 1.783 62 HB3 SER 12 HB3 SER 12 17.052 0.133 0.515 63 HG SER 12 HG SER 12 15.209 0.120 1.953 64 HA PRO 13 HA PRO 13 14.062 -5.145 0.032 65 HB2 PRO 13 HB2 PRO 13 13.362 -5.651 2.608 66 HB3 PRO 13 HB3 PRO 13 14.976 -6.153 1.974 67 HG2 PRO 13 HG2 PRO 13 14.302 -3.573 3.458 68 HG3 PRO 13 HG3 PRO 13 15.565 -4.787 3.900 69 HD2 PRO 13 HD2 PRO 13 16.221 -2.630 2.459 70 HD3 PRO 13 HD3 PRO 13 16.854 -4.232 1.952 71 H GLU 14 H GLU 14 13.731 -2.296 2.075 72 HA GLU 14 HA GLU 14 10.813 -2.321 2.083 73 HB2 GLU 14 HB2 GLU 14 12.911 -0.246 2.841 74 HB3 GLU 14 HB3 GLU 14 11.158 -0.028 3.034 75 HG2 GLU 14 HG2 GLU 14 11.048 -1.985 4.520 76 HG3 GLU 14 HG3 GLU 14 12.793 -2.215 4.349 77 H GLN 15 H GLN 15 13.453 -0.881 0.173 78 HA GLN 15 HA GLN 15 11.832 1.025 -1.230 79 HB2 GLN 15 HB2 GLN 15 14.575 0.181 -1.126 80 HB3 GLN 15 HB3 GLN 15 14.080 0.055 -2.814 81 HG2 GLN 15 HG2 GLN 15 14.960 2.318 -2.197 82 HG3 GLN 15 HG3 GLN 15 13.279 2.341 -2.803 83 HE21 GLN 15 HE22 GLN 15 14.538 1.320 0.396 84 HE22 GLN 15 HE21 GLN 15 13.552 2.413 1.336 85 H GLU 16 H GLU 16 12.462 -2.375 -1.611 86 HA GLU 16 HA GLU 16 11.577 -2.486 -4.362 87 HB2 GLU 16 HB2 GLU 16 11.912 -4.578 -2.179 88 HB3 GLU 16 HB3 GLU 16 11.343 -5.015 -3.797 89 HG2 GLU 16 HG2 GLU 16 13.925 -3.474 -3.354 90 HG3 GLU 16 HG3 GLU 16 13.837 -5.239 -3.309 91 H ALA 17 H ALA 17 9.967 -2.526 -1.265 92 HA ALA 17 HA ALA 17 7.377 -3.211 -2.558 93 HB1 ALA 17 HB1 ALA 17 8.133 -2.813 0.354 94 HB2 ALA 17 HB2 ALA 17 6.540 -3.341 -0.246 95 HB3 ALA 17 HB3 ALA 17 7.964 -4.375 -0.480 96 H ILE 18 H ILE 18 9.165 -0.454 -1.265 97 HA ILE 18 HA ILE 18 6.799 1.212 -0.932 98 HB ILE 18 HB ILE 18 9.787 1.619 -0.733 99 HG12 ILE 18 HG12 ILE 18 7.550 1.985 1.306 100 HG13 ILE 18 HG13 ILE 18 8.395 0.458 1.063 101 HG21 ILE 18 HG21 ILE 18 7.631 3.756 -0.478 102 HG22 ILE 18 HG22 ILE 18 9.328 3.945 0.022 103 HG23 ILE 18 HG23 ILE 18 8.927 3.708 -1.684 104 HD11 ILE 18 HD11 ILE 18 9.436 1.615 2.917 105 HD12 ILE 18 HD12 ILE 18 10.569 1.627 1.558 106 HD13 ILE 18 HD13 ILE 18 9.646 3.095 1.954 107 H GLU 19 H GLU 19 9.259 0.688 -3.514 108 HA GLU 19 HA GLU 19 8.529 3.077 -4.945 109 HB2 GLU 19 HB2 GLU 19 9.866 0.489 -5.776 110 HB3 GLU 19 HB3 GLU 19 9.564 1.825 -6.905 111 HG2 GLU 19 HG2 GLU 19 10.839 3.365 -5.478 112 HG3 GLU 19 HG3 GLU 19 11.176 2.066 -4.329 113 H SER 20 H SER 20 7.243 -0.293 -4.977 114 HA SER 20 HA SER 20 5.545 0.194 -7.268 115 HB2 SER 20 HB2 SER 20 5.631 -1.970 -5.124 116 HB3 SER 20 HB3 SER 20 4.670 -2.037 -6.620 117 HG SER 20 HG SER 20 6.667 -3.108 -6.853 118 H PHE 21 H PHE 21 5.303 0.706 -3.802 119 HA PHE 21 HA PHE 21 2.402 0.766 -3.696 120 HB2 PHE 21 HB2 PHE 21 4.049 0.384 -1.801 121 HB3 PHE 21 HB3 PHE 21 4.477 2.056 -1.880 122 HD1 PHE 21 HD1 PHE 21 2.382 3.764 -1.715 123 HD2 PHE 21 HD2 PHE 21 2.393 -0.282 -0.242 124 HE1 PHE 21 HE1 PHE 21 0.480 4.295 -0.224 125 HE2 PHE 21 HE2 PHE 21 0.505 0.261 1.249 126 HZ PHE 21 HZ PHE 21 -0.471 2.542 1.253 127 H THR 22 H THR 22 5.017 3.174 -3.863 128 HA THR 22 HA THR 22 3.266 5.471 -4.105 129 HB THR 22 HB THR 22 6.095 5.475 -5.093 130 HG1 THR 22 HG1 THR 22 6.276 4.274 -3.200 131 HG21 THR 22 HG21 THR 22 6.156 7.626 -3.838 132 HG22 THR 22 HG22 THR 22 4.807 7.602 -5.000 133 HG23 THR 22 HG23 THR 22 4.511 7.328 -3.261 134 H SER 23 H SER 23 4.076 3.000 -6.279 135 HA SER 23 HA SER 23 3.966 4.726 -8.653 136 HB2 SER 23 HB2 SER 23 4.150 1.739 -8.247 137 HB3 SER 23 HB3 SER 23 4.044 2.474 -9.851 138 HG SER 23 HG SER 23 6.097 2.841 -7.937 139 H LEU 24 H LEU 24 1.839 2.977 -6.575 140 HA LEU 24 HA LEU 24 -0.348 2.986 -8.609 141 HB2 LEU 24 HB2 LEU 24 0.187 1.214 -6.193 142 HB3 LEU 24 HB3 LEU 24 -1.319 1.218 -7.119 143 HG LEU 24 HG LEU 24 1.446 0.611 -8.281 144 HD11 LEU 24 HD11 LEU 24 0.629 -1.720 -8.385 145 HD12 LEU 24 HD12 LEU 24 0.731 -1.129 -6.713 146 HD13 LEU 24 HD13 LEU 24 -0.850 -1.240 -7.525 147 HD21 LEU 24 HD21 LEU 24 -0.099 1.492 -9.984 148 HD22 LEU 24 HD22 LEU 24 0.137 -0.248 -10.213 149 HD23 LEU 24 HD23 LEU 24 -1.359 0.351 -9.456 150 H THR 25 H THR 25 0.815 4.310 -5.661 151 HA THR 25 HA THR 25 -1.758 5.739 -5.378 152 HB THR 25 HB THR 25 -1.445 5.853 -2.959 153 HG1 THR 25 HG1 THR 25 0.815 4.217 -3.425 154 HG21 THR 25 HG21 THR 25 -2.682 3.890 -3.837 155 HG22 THR 25 HG22 THR 25 -1.161 2.972 -3.918 156 HG23 THR 25 HG23 THR 25 -1.797 3.498 -2.345 157 H LYS 26 H LYS 26 -1.375 7.982 -4.444 158 HA LYS 26 HA LYS 26 1.249 8.956 -5.467 159 HB2 LYS 26 HB2 LYS 26 -1.443 10.358 -5.547 160 HB3 LYS 26 HB3 LYS 26 0.090 11.016 -6.140 161 HG2 LYS 26 HG2 LYS 26 -1.349 8.550 -7.193 162 HG3 LYS 26 HG3 LYS 26 -1.205 10.110 -8.000 163 HD2 LYS 26 HD2 LYS 26 1.093 8.200 -7.377 164 HD3 LYS 26 HD3 LYS 26 0.368 8.475 -8.958 165 HE2 LYS 26 HE2 LYS 26 1.061 10.857 -8.868 166 HE3 LYS 26 HE3 LYS 26 1.787 10.583 -7.273 167 HZ1 LYS 26 HZ1 LYS 26 3.415 10.467 -9.025 168 HZ2 LYS 26 HZ2 LYS 26 3.277 9.004 -8.292 169 HZ3 LYS 26 HZ3 LYS 26 2.603 9.252 -9.773 170 H CYS 27 H CYS 27 0.576 8.110 -2.689 171 HA CYS 27 HA CYS 27 0.868 10.608 -1.178 172 HB2 CYS 27 HB2 CYS 27 1.048 9.109 0.755 173 HB3 CYS 27 HB3 CYS 27 -0.346 8.655 -0.250 174 HG CYS 27 HG CYS 27 2.714 7.381 -0.244 175 H ASP 28 H ASP 28 2.872 10.508 0.499 176 HA ASP 28 HA ASP 28 5.254 10.550 -1.134 177 HB2 ASP 28 HB2 ASP 28 4.747 10.844 1.845 178 HB3 ASP 28 HB3 ASP 28 6.301 11.152 1.058 179 HA PRO 29 HA PRO 29 6.740 6.423 -0.563 180 HB2 PRO 29 HB2 PRO 29 9.324 7.775 0.256 181 HB3 PRO 29 HB3 PRO 29 9.096 6.416 -0.875 182 HG2 PRO 29 HG2 PRO 29 9.496 8.919 -1.850 183 HG3 PRO 29 HG3 PRO 29 8.129 7.961 -2.531 184 HD2 PRO 29 HD2 PRO 29 8.034 10.040 -0.309 185 HD3 PRO 29 HD3 PRO 29 7.004 9.937 -1.763 186 H LYS 30 H LYS 30 7.298 8.875 1.888 187 HA LYS 30 HA LYS 30 8.278 7.089 3.902 188 HB2 LYS 30 HB2 LYS 30 7.437 9.976 3.701 189 HB3 LYS 30 HB3 LYS 30 7.514 9.247 5.327 190 HG2 LYS 30 HG2 LYS 30 9.580 10.261 4.999 191 HG3 LYS 30 HG3 LYS 30 9.799 8.505 4.942 192 HD2 LYS 30 HD2 LYS 30 11.130 9.535 3.275 193 HD3 LYS 30 HD3 LYS 30 9.847 8.628 2.441 194 HE2 LYS 30 HE2 LYS 30 8.586 10.724 2.088 195 HE3 LYS 30 HE3 LYS 30 9.789 11.627 3.029 196 HZ1 LYS 30 HZ1 LYS 30 10.149 11.860 0.674 197 HZ2 LYS 30 HZ2 LYS 30 11.421 11.097 1.371 198 HZ3 LYS 30 HZ3 LYS 30 10.337 10.237 0.487 199 H VAL 31 H VAL 31 5.124 7.788 2.677 200 HA VAL 31 HA VAL 31 3.748 6.906 5.143 201 HB VAL 31 HB VAL 31 2.723 7.734 2.397 202 HG11 VAL 31 HG11 VAL 31 1.253 7.163 4.999 203 HG12 VAL 31 HG12 VAL 31 0.521 7.888 3.546 204 HG13 VAL 31 HG13 VAL 31 1.131 6.229 3.483 205 HG21 VAL 31 HG21 VAL 31 3.773 9.590 3.650 206 HG22 VAL 31 HG22 VAL 31 2.010 9.787 3.602 207 HG23 VAL 31 HG23 VAL 31 2.796 9.186 5.078 208 H SER 32 H SER 32 4.875 5.697 2.023 209 HA SER 32 HA SER 32 3.212 3.387 1.853 210 HB2 SER 32 HB2 SER 32 6.064 3.767 0.874 211 HB3 SER 32 HB3 SER 32 4.866 2.611 0.254 212 HG SER 32 HG SER 32 5.036 4.555 -1.009 213 H ARG 33 H ARG 33 6.278 4.084 3.530 214 HA ARG 33 HA ARG 33 6.920 1.413 4.347 215 HB2 ARG 33 HB2 ARG 33 8.595 3.120 4.472 216 HB3 ARG 33 HB3 ARG 33 7.523 4.217 5.349 217 HG2 ARG 33 HG2 ARG 33 7.600 2.832 7.345 218 HG3 ARG 33 HG3 ARG 33 8.585 1.609 6.510 219 HD2 ARG 33 HD2 ARG 33 9.412 4.509 6.878 220 HD3 ARG 33 HD3 ARG 33 9.876 3.204 7.987 221 HE ARG 33 HE ARG 33 10.869 2.090 5.882 222 HH11 ARG 33 HH11 ARG 33 10.778 5.597 6.347 223 HH12 ARG 33 HH12 ARG 33 12.192 5.860 5.347 224 HH21 ARG 33 HH21 ARG 33 12.657 2.457 4.648 225 HH22 ARG 33 HH22 ARG 33 13.267 4.080 4.369 226 H LYS 34 H LYS 34 4.712 3.858 5.621 227 HA LYS 34 HA LYS 34 4.393 2.589 8.198 228 HB2 LYS 34 HB2 LYS 34 4.060 5.057 7.608 229 HB3 LYS 34 HB3 LYS 34 2.582 4.583 6.763 230 HG2 LYS 34 HG2 LYS 34 1.791 3.568 8.992 231 HG3 LYS 34 HG3 LYS 34 3.196 4.361 9.729 232 HD2 LYS 34 HD2 LYS 34 1.448 5.952 9.985 233 HD3 LYS 34 HD3 LYS 34 2.357 6.521 8.568 234 HE2 LYS 34 HE2 LYS 34 0.006 6.669 8.063 235 HE3 LYS 34 HE3 LYS 34 0.713 5.377 7.083 236 HZ1 LYS 34 HZ1 LYS 34 -1.366 4.711 8.073 237 HZ2 LYS 34 HZ2 LYS 34 -0.148 3.793 8.679 238 HZ3 LYS 34 HZ3 LYS 34 -0.795 5.005 9.586 239 H TYR 35 H TYR 35 2.708 2.439 5.079 240 HA TYR 35 HA TYR 35 0.605 0.695 6.214 241 HB2 TYR 35 HB2 TYR 35 1.044 2.090 3.562 242 HB3 TYR 35 HB3 TYR 35 -0.113 0.767 3.705 243 HD1 TYR 35 HD1 TYR 35 0.625 4.226 4.868 244 HD2 TYR 35 HD2 TYR 35 -2.192 0.972 4.804 245 HE1 TYR 35 HE1 TYR 35 -1.165 5.765 5.626 246 HE2 TYR 35 HE2 TYR 35 -3.969 2.493 5.634 247 HH TYR 35 HH TYR 35 -3.362 5.966 6.260 248 H LEU 36 H LEU 36 3.716 0.128 5.450 249 HA LEU 36 HA LEU 36 3.031 -2.628 4.495 250 HB2 LEU 36 HB2 LEU 36 5.541 -0.921 4.280 251 HB3 LEU 36 HB3 LEU 36 5.550 -2.667 3.987 252 HG LEU 36 HG LEU 36 3.666 -0.816 2.490 253 HD11 LEU 36 HD11 LEU 36 6.443 -1.757 1.668 254 HD12 LEU 36 HD12 LEU 36 5.299 -0.857 0.645 255 HD13 LEU 36 HD13 LEU 36 6.009 -0.087 2.081 256 HD21 LEU 36 HD21 LEU 36 3.563 -2.668 0.919 257 HD22 LEU 36 HD22 LEU 36 4.830 -3.545 1.803 258 HD23 LEU 36 HD23 LEU 36 3.231 -3.308 2.544 259 H GLN 37 H GLN 37 3.787 -0.720 7.151 260 HA GLN 37 HA GLN 37 5.346 -2.769 8.583 261 HB2 GLN 37 HB2 GLN 37 5.046 0.115 8.648 262 HB3 GLN 37 HB3 GLN 37 4.865 -0.574 10.286 263 HG2 GLN 37 HG2 GLN 37 6.995 -1.623 10.162 264 HG3 GLN 37 HG3 GLN 37 7.016 -1.502 8.393 265 HE21 GLN 37 HE22 GLN 37 9.241 -0.709 8.904 266 HE22 GLN 37 HE21 GLN 37 9.382 1.034 8.965 267 H ARG 38 H ARG 38 2.255 -2.480 7.844 268 HA ARG 38 HA ARG 38 1.285 -3.657 10.384 269 HB2 ARG 38 HB2 ARG 38 -0.839 -2.290 10.032 270 HB3 ARG 38 HB3 ARG 38 0.601 -1.386 10.551 271 HG2 ARG 38 HG2 ARG 38 0.973 -0.747 8.143 272 HG3 ARG 38 HG3 ARG 38 -0.562 -1.554 7.753 273 HD2 ARG 38 HD2 ARG 38 -0.306 0.689 9.798 274 HD3 ARG 38 HD3 ARG 38 -0.714 0.952 8.104 275 HE ARG 38 HE ARG 38 -2.738 -0.301 8.367 276 HH11 ARG 38 HH11 ARG 38 -1.116 0.477 11.423 277 HH12 ARG 38 HH12 ARG 38 -2.564 0.236 12.374 278 HH21 ARG 38 HH21 ARG 38 -4.579 -0.624 9.634 279 HH22 ARG 38 HH22 ARG 38 -4.516 -0.387 11.368 280 H ASN 39 H ASN 39 2.020 -4.308 7.351 281 HA ASN 39 HA ASN 39 -0.231 -6.168 6.965 282 HB2 ASN 39 HB2 ASN 39 0.815 -4.262 4.829 283 HB3 ASN 39 HB3 ASN 39 -0.401 -5.505 4.586 284 HD21 ASN 39 HD22 ASN 39 0.112 -2.273 5.220 285 HD22 ASN 39 HD21 ASN 39 -1.376 -1.824 6.004 286 H HIS 40 H HIS 40 2.604 -6.430 7.841 287 HA HIS 40 HA HIS 40 4.355 -7.801 7.521 288 HB2 HIS 40 HB2 HIS 40 2.621 -9.445 5.677 289 HB3 HIS 40 HB3 HIS 40 3.868 -9.999 6.801 290 HD2 HIS 40 HD2 HIS 40 0.271 -10.005 6.500 291 HE1 HIS 40 HE1 HIS 40 0.792 -9.492 10.688 292 HE2 HIS 40 HE2 HIS 40 -0.871 -10.093 8.862 293 H TRP 41 H TRP 41 4.139 -5.551 5.679 294 HA TRP 41 HA TRP 41 5.058 -4.702 3.845 295 HB2 TRP 41 HB2 TRP 41 7.154 -6.761 4.565 296 HB3 TRP 41 HB3 TRP 41 7.366 -5.585 3.287 297 HD1 TRP 41 HD1 TRP 41 6.916 -5.687 7.083 298 HE1 TRP 41 HE1 TRP 41 7.709 -3.461 8.076 299 HE3 TRP 41 HE3 TRP 41 8.013 -3.333 2.775 300 HZ2 TRP 41 HZ2 TRP 41 8.385 -0.783 7.034 301 HZ3 TRP 41 HZ3 TRP 41 8.782 -0.943 2.751 302 HH2 TRP 41 HH2 TRP 41 8.960 0.317 4.871 303 H ASN 42 H ASN 42 3.065 -6.903 3.345 304 HA ASN 42 HA ASN 42 3.880 -7.666 0.605 305 HB2 ASN 42 HB2 ASN 42 1.517 -8.270 2.422 306 HB3 ASN 42 HB3 ASN 42 1.436 -8.523 0.681 307 HD21 ASN 42 HD22 ASN 42 1.028 -10.783 1.461 308 HD22 ASN 42 HD21 ASN 42 2.441 -11.808 1.590 309 H ILE 43 H ILE 43 3.366 -6.418 -1.140 310 HA ILE 43 HA ILE 43 1.808 -4.009 -0.707 311 HB ILE 43 HB ILE 43 3.348 -5.242 -2.961 312 HG12 ILE 43 HG12 ILE 43 4.263 -3.674 -1.166 313 HG13 ILE 43 HG13 ILE 43 4.536 -3.111 -2.828 314 HG21 ILE 43 HG21 ILE 43 1.315 -3.004 -3.349 315 HG22 ILE 43 HG22 ILE 43 2.613 -3.421 -4.492 316 HG23 ILE 43 HG23 ILE 43 1.321 -4.591 -4.148 317 HD11 ILE 43 HD11 ILE 43 3.781 -1.432 -1.139 318 HD12 ILE 43 HD12 ILE 43 2.847 -1.471 -2.665 319 HD13 ILE 43 HD13 ILE 43 2.174 -2.178 -1.178 320 H ASN 44 H ASN 44 0.986 -7.277 -1.360 321 HA ASN 44 HA ASN 44 -1.487 -6.500 -2.744 322 HB2 ASN 44 HB2 ASN 44 -0.410 -9.203 -1.834 323 HB3 ASN 44 HB3 ASN 44 -1.872 -8.973 -2.808 324 HD21 ASN 44 HD22 ASN 44 0.637 -10.444 -3.452 325 HD22 ASN 44 HD21 ASN 44 1.215 -9.731 -4.943 326 H TYR 45 H TYR 45 -0.478 -6.336 0.344 327 HA TYR 45 HA TYR 45 -3.207 -6.768 1.459 328 HB2 TYR 45 HB2 TYR 45 -0.475 -7.617 2.421 329 HB3 TYR 45 HB3 TYR 45 -1.767 -7.371 3.572 330 HD1 TYR 45 HD1 TYR 45 -3.771 -8.785 3.577 331 HD2 TYR 45 HD2 TYR 45 -0.539 -9.503 0.836 332 HE1 TYR 45 HE1 TYR 45 -4.651 -11.071 3.152 333 HE2 TYR 45 HE2 TYR 45 -1.409 -11.785 0.395 334 HH TYR 45 HH TYR 45 -4.365 -13.035 1.998 335 H ALA 46 H ALA 46 -0.783 -4.598 0.672 336 HA ALA 46 HA ALA 46 -1.187 -2.857 3.053 337 HB1 ALA 46 HB1 ALA 46 0.878 -2.974 0.832 338 HB2 ALA 46 HB2 ALA 46 0.854 -1.726 2.092 339 HB3 ALA 46 HB3 ALA 46 1.111 -3.430 2.543 340 H LEU 47 H LEU 47 -1.655 -3.065 -0.475 341 HA LEU 47 HA LEU 47 -2.247 -0.246 -0.772 342 HB2 LEU 47 HB2 LEU 47 -2.756 -2.725 -2.467 343 HB3 LEU 47 HB3 LEU 47 -3.215 -1.090 -2.983 344 HG LEU 47 HG LEU 47 -0.387 -1.950 -2.294 345 HD11 LEU 47 HD11 LEU 47 -0.038 -1.792 -4.739 346 HD12 LEU 47 HD12 LEU 47 -1.281 -3.008 -4.360 347 HD13 LEU 47 HD13 LEU 47 -1.761 -1.412 -4.966 348 HD21 LEU 47 HD21 LEU 47 0.208 0.215 -3.398 349 HD22 LEU 47 HD22 LEU 47 -1.521 0.615 -3.495 350 HD23 LEU 47 HD23 LEU 47 -0.720 0.458 -1.910 351 H ASN 48 H ASN 48 -4.141 -3.174 -0.039 352 HA ASN 48 HA ASN 48 -6.709 -1.978 -0.431 353 HB2 ASN 48 HB2 ASN 48 -6.053 -4.184 1.548 354 HB3 ASN 48 HB3 ASN 48 -7.562 -3.932 0.647 355 HD21 ASN 48 HD22 ASN 48 -4.226 -4.989 0.585 356 HD22 ASN 48 HD21 ASN 48 -4.244 -5.748 -0.996 357 H ASP 49 H ASP 49 -4.444 -2.174 2.272 358 HA ASP 49 HA ASP 49 -6.166 -1.127 4.314 359 HB2 ASP 49 HB2 ASP 49 -3.900 -2.337 4.505 360 HB3 ASP 49 HB3 ASP 49 -3.147 -0.804 4.072 361 H TYR 50 H TYR 50 -4.179 0.357 1.808 362 HA TYR 50 HA TYR 50 -4.566 3.077 2.797 363 HB2 TYR 50 HB2 TYR 50 -2.568 2.314 1.575 364 HB3 TYR 50 HB3 TYR 50 -3.536 1.968 0.153 365 HD1 TYR 50 HD2 TYR 50 -2.052 4.645 2.206 366 HD2 TYR 50 HD1 TYR 50 -4.447 3.739 -1.249 367 HE1 TYR 50 HE2 TYR 50 -1.732 6.968 1.377 368 HE2 TYR 50 HE1 TYR 50 -4.151 6.053 -2.077 369 HH TYR 50 HH TYR 50 -3.205 8.109 -1.689 370 H TYR 51 H TYR 51 -6.071 0.864 0.485 371 HA TYR 51 HA TYR 51 -7.860 2.880 -0.605 372 HB2 TYR 51 HB2 TYR 51 -7.930 -0.153 -0.787 373 HB3 TYR 51 HB3 TYR 51 -8.920 0.960 -1.736 374 HD1 TYR 51 HD2 TYR 51 -6.792 3.075 -2.258 375 HD2 TYR 51 HD1 TYR 51 -6.710 -1.218 -2.566 376 HE1 TYR 51 HE2 TYR 51 -5.016 3.243 -3.963 377 HE2 TYR 51 HE1 TYR 51 -4.937 -1.057 -4.300 378 HH TYR 51 HH TYR 51 -3.597 0.335 -5.528 379 H ASP 52 H ASP 52 -7.727 1.423 2.389 380 HA ASP 52 HA ASP 52 -10.676 1.450 2.775 381 HB2 ASP 52 HB2 ASP 52 -8.296 0.460 4.391 382 HB3 ASP 52 HB3 ASP 52 -9.925 0.547 5.034 383 H LYS 53 H LYS 53 -7.661 3.130 3.572 384 HA LYS 53 HA LYS 53 -9.149 4.809 5.552 385 HB2 LYS 53 HB2 LYS 53 -6.277 3.844 5.544 386 HB3 LYS 53 HB3 LYS 53 -7.000 4.933 6.750 387 HG2 LYS 53 HG2 LYS 53 -8.662 3.212 7.345 388 HG3 LYS 53 HG3 LYS 53 -7.965 2.104 6.142 389 HD2 LYS 53 HD2 LYS 53 -5.795 2.189 7.283 390 HD3 LYS 53 HD3 LYS 53 -6.462 3.334 8.475 391 HE2 LYS 53 HE2 LYS 53 -6.448 1.072 9.423 392 HE3 LYS 53 HE3 LYS 53 -8.107 1.632 9.194 393 HZ1 LYS 53 HZ1 LYS 53 -8.191 0.340 7.164 394 HZ2 LYS 53 HZ2 LYS 53 -6.636 -0.149 7.360 395 HZ3 LYS 53 HZ3 LYS 53 -7.786 -0.630 8.431 396 H GLU 54 H GLU 54 -7.504 4.949 2.538 397 HA GLU 54 HA GLU 54 -7.212 7.887 2.858 398 HB2 GLU 54 HB2 GLU 54 -5.151 6.022 1.630 399 HB3 GLU 54 HB3 GLU 54 -5.058 7.786 1.622 400 HG2 GLU 54 HG2 GLU 54 -5.059 6.060 4.123 401 HG3 GLU 54 HG3 GLU 54 -3.628 6.767 3.367 402 H ILE 55 H ILE 55 -8.969 5.679 1.346 403 HA ILE 55 HA ILE 55 -8.401 6.083 -1.404 404 HB ILE 55 HB ILE 55 -9.605 4.164 -0.519 405 HG12 ILE 55 HG12 ILE 55 -11.338 5.769 -2.429 406 HG13 ILE 55 HG13 ILE 55 -9.859 4.902 -2.881 407 HG21 ILE 55 HG21 ILE 55 -11.899 6.098 0.031 408 HG22 ILE 55 HG22 ILE 55 -11.948 4.335 0.230 409 HG23 ILE 55 HG23 ILE 55 -10.889 5.309 1.259 410 HD11 ILE 55 HD11 ILE 55 -12.391 3.648 -1.731 411 HD12 ILE 55 HD12 ILE 55 -11.819 3.543 -3.408 412 HD13 ILE 55 HD13 ILE 55 -10.887 2.771 -2.108 413 H GLY 56 H GLY 56 -9.525 7.330 -2.987 414 HA2 GLY 56 HA2 GLY 56 -10.057 10.026 -2.057 415 HA3 GLY 56 HA3 GLY 56 -10.028 9.450 -3.732 416 H THR 57 H THR 57 -12.129 7.312 -2.442 417 HA THR 57 HA THR 57 -14.474 9.058 -2.253 418 HB THR 57 HB THR 57 -14.136 8.845 -4.688 419 HG1 THR 57 HG1 THR 57 -16.244 8.046 -5.073 420 HG21 THR 57 HG21 THR 57 -14.561 5.860 -4.220 421 HG22 THR 57 HG22 THR 57 -14.443 6.678 -5.796 422 HG23 THR 57 HG23 THR 57 -13.031 6.608 -4.724 423 H PHE 58 H PHE 58 -16.444 7.859 -1.755 424 HA PHE 58 HA PHE 58 -15.924 5.211 -0.519 425 HB2 PHE 58 HB2 PHE 58 -17.386 7.596 0.648 426 HB3 PHE 58 HB3 PHE 58 -17.339 5.977 1.363 427 HD1 PHE 58 HD1 PHE 58 -15.246 5.049 2.249 428 HD2 PHE 58 HD2 PHE 58 -15.447 9.043 0.695 429 HE1 PHE 58 HE1 PHE 58 -13.057 5.554 3.291 430 HE2 PHE 58 HE2 PHE 58 -13.259 9.572 1.760 431 HZ PHE 58 HZ PHE 58 -12.060 7.829 3.056 432 H THR 59 H THR 59 -17.463 6.688 -2.930 433 HA THR 59 HA THR 59 -19.790 4.853 -2.816 434 HB THR 59 HB THR 59 -20.536 7.041 -1.955 435 HG1 THR 59 HG1 THR 59 -22.021 5.829 -3.051 436 HG21 THR 59 HG21 THR 59 -19.811 8.071 -4.733 437 HG22 THR 59 HG22 THR 59 -20.679 8.969 -3.469 438 HG23 THR 59 HG23 THR 59 -18.983 8.508 -3.217 439 H ASP 60 H ASP 60 -20.902 4.705 -4.959 440 HA ASP 60 HA ASP 60 -19.098 5.260 -7.236 441 HB2 ASP 60 HB2 ASP 60 -18.715 2.939 -6.372 442 HB3 ASP 60 HB3 ASP 60 -20.420 2.574 -6.701 443 H GLU 61 H GLU 61 -21.802 6.207 -6.026 444 HA GLU 61 HA GLU 61 -23.249 6.105 -8.612 445 HB2 GLU 61 HB2 GLU 61 -24.417 5.801 -5.811 446 HB3 GLU 61 HB3 GLU 61 -25.373 6.036 -7.286 447 HG2 GLU 61 HG2 GLU 61 -24.394 3.958 -8.223 448 HG3 GLU 61 HG3 GLU 61 -23.491 3.707 -6.717 449 H VAL 62 H VAL 62 -24.838 7.889 -8.841 450 HA VAL 62 HA VAL 62 -24.172 10.326 -7.285 451 HB VAL 62 HB VAL 62 -24.059 11.623 -9.381 452 HG11 VAL 62 HG11 VAL 62 -21.994 10.862 -8.255 453 HG12 VAL 62 HG12 VAL 62 -22.001 9.379 -9.231 454 HG13 VAL 62 HG13 VAL 62 -21.785 10.955 -10.018 455 HG21 VAL 62 HG21 VAL 62 -23.957 8.900 -10.752 456 HG22 VAL 62 HG22 VAL 62 -25.295 10.062 -10.863 457 HG23 VAL 62 HG23 VAL 62 -23.705 10.478 -11.530 Start of MODEL 6 1 HA ILE 6 HA ILE 6 18.697 -8.697 -1.566 2 HB ILE 6 HB ILE 6 19.307 -10.788 -0.365 3 HG12 ILE 6 HG12 ILE 6 18.988 -12.100 -3.100 4 HG13 ILE 6 HG13 ILE 6 20.507 -11.919 -2.200 5 HG21 ILE 6 HG21 ILE 6 16.872 -11.052 -2.180 6 HG22 ILE 6 HG22 ILE 6 17.087 -11.781 -0.570 7 HG23 ILE 6 HG23 ILE 6 16.957 -10.023 -0.732 8 HD11 ILE 6 HD11 ILE 6 19.649 -14.159 -1.872 9 HD12 ILE 6 HD12 ILE 6 19.558 -13.262 -0.340 10 HD13 ILE 6 HD13 ILE 6 18.088 -13.536 -1.309 11 H LYS 7 H LYS 7 20.757 -8.884 -4.033 12 HA LYS 7 HA LYS 7 23.156 -8.613 -2.277 13 HB2 LYS 7 HB2 LYS 7 22.992 -9.738 -5.097 14 HB3 LYS 7 HB3 LYS 7 24.486 -9.486 -4.193 15 HG2 LYS 7 HG2 LYS 7 22.201 -11.324 -3.358 16 HG3 LYS 7 HG3 LYS 7 23.697 -11.850 -4.140 17 HD2 LYS 7 HD2 LYS 7 23.509 -10.512 -1.407 18 HD3 LYS 7 HD3 LYS 7 23.778 -12.232 -1.711 19 HE2 LYS 7 HE2 LYS 7 25.871 -11.681 -2.933 20 HE3 LYS 7 HE3 LYS 7 25.621 -9.963 -2.566 21 HZ1 LYS 7 HZ1 LYS 7 25.740 -10.497 -0.239 22 HZ2 LYS 7 HZ2 LYS 7 25.977 -12.093 -0.570 23 HZ3 LYS 7 HZ3 LYS 7 27.108 -10.990 -1.009 24 H ARG 8 H ARG 8 21.000 -6.830 -3.870 25 HA ARG 8 HA ARG 8 22.711 -5.142 -5.481 26 HB2 ARG 8 HB2 ARG 8 20.625 -3.561 -5.208 27 HB3 ARG 8 HB3 ARG 8 20.582 -4.989 -6.240 28 HG2 ARG 8 HG2 ARG 8 18.528 -4.772 -4.935 29 HG3 ARG 8 HG3 ARG 8 19.381 -6.266 -4.550 30 HD2 ARG 8 HD2 ARG 8 20.221 -5.300 -2.467 31 HD3 ARG 8 HD3 ARG 8 19.482 -3.736 -2.871 32 HE ARG 8 HE ARG 8 17.333 -5.403 -2.969 33 HH11 ARG 8 HH11 ARG 8 19.862 -4.995 -0.534 34 HH12 ARG 8 HH12 ARG 8 18.844 -5.551 0.775 35 HH21 ARG 8 HH21 ARG 8 16.042 -6.077 -1.283 36 HH22 ARG 8 HH22 ARG 8 16.659 -6.148 0.356 37 H LYS 9 H LYS 9 23.560 -3.135 -5.100 38 HA LYS 9 HA LYS 9 23.931 -2.454 -2.235 39 HB2 LYS 9 HB2 LYS 9 25.679 -2.024 -4.677 40 HB3 LYS 9 HB3 LYS 9 26.098 -1.546 -3.018 41 HG2 LYS 9 HG2 LYS 9 26.134 -3.846 -2.278 42 HG3 LYS 9 HG3 LYS 9 25.428 -4.427 -3.806 43 HD2 LYS 9 HD2 LYS 9 27.360 -3.729 -5.064 44 HD3 LYS 9 HD3 LYS 9 28.027 -2.909 -3.647 45 HE2 LYS 9 HE2 LYS 9 29.163 -5.069 -3.970 46 HE3 LYS 9 HE3 LYS 9 28.197 -5.126 -2.483 47 HZ1 LYS 9 HZ1 LYS 9 26.484 -6.270 -3.723 48 HZ2 LYS 9 HZ2 LYS 9 27.385 -6.221 -5.095 49 HZ3 LYS 9 HZ3 LYS 9 27.902 -7.100 -3.806 50 H ASP 10 H ASP 10 21.872 -1.527 -4.416 51 HA ASP 10 HA ASP 10 22.115 1.318 -3.670 52 HB2 ASP 10 HB2 ASP 10 23.128 0.993 -5.934 53 HB3 ASP 10 HB3 ASP 10 21.577 0.369 -6.512 54 H ALA 11 H ALA 11 20.411 -1.151 -3.025 55 HA ALA 11 HA ALA 11 17.823 0.254 -3.072 56 HB1 ALA 11 HB1 ALA 11 16.656 -1.728 -3.978 57 HB2 ALA 11 HB2 ALA 11 17.807 -1.066 -5.157 58 HB3 ALA 11 HB3 ALA 11 18.218 -2.533 -4.240 59 H SER 12 H SER 12 16.175 -1.109 -1.778 60 HA SER 12 HA SER 12 17.469 -2.698 0.361 61 HB2 SER 12 HB2 SER 12 16.978 -1.251 2.048 62 HB3 SER 12 HB3 SER 12 17.106 -0.053 0.752 63 HG SER 12 HG SER 12 15.175 0.065 2.064 64 HA PRO 13 HA PRO 13 13.877 -5.147 0.034 65 HB2 PRO 13 HB2 PRO 13 13.097 -5.772 2.581 66 HB3 PRO 13 HB3 PRO 13 14.717 -6.269 1.973 67 HG2 PRO 13 HG2 PRO 13 14.050 -3.727 3.533 68 HG3 PRO 13 HG3 PRO 13 15.246 -5.000 3.985 69 HD2 PRO 13 HD2 PRO 13 16.032 -2.813 2.634 70 HD3 PRO 13 HD3 PRO 13 16.641 -4.425 2.112 71 H GLU 14 H GLU 14 13.635 -2.357 2.157 72 HA GLU 14 HA GLU 14 10.733 -2.205 2.096 73 HB2 GLU 14 HB2 GLU 14 12.918 -0.213 2.846 74 HB3 GLU 14 HB3 GLU 14 11.174 0.046 3.064 75 HG2 GLU 14 HG2 GLU 14 11.047 -1.926 4.544 76 HG3 GLU 14 HG3 GLU 14 12.792 -2.157 4.373 77 H GLN 15 H GLN 15 13.488 -0.929 0.218 78 HA GLN 15 HA GLN 15 11.956 1.001 -1.252 79 HB2 GLN 15 HB2 GLN 15 14.677 0.150 -1.004 80 HB3 GLN 15 HB3 GLN 15 14.274 -0.041 -2.711 81 HG2 GLN 15 HG2 GLN 15 15.129 2.246 -2.135 82 HG3 GLN 15 HG3 GLN 15 13.480 2.261 -2.818 83 HE21 GLN 15 HE22 GLN 15 14.543 1.322 0.473 84 HE22 GLN 15 HE21 GLN 15 13.528 2.467 1.320 85 H GLU 16 H GLU 16 12.539 -2.395 -1.544 86 HA GLU 16 HA GLU 16 11.636 -2.535 -4.307 87 HB2 GLU 16 HB2 GLU 16 12.170 -4.676 -2.196 88 HB3 GLU 16 HB3 GLU 16 11.643 -5.055 -3.851 89 HG2 GLU 16 HG2 GLU 16 13.558 -3.825 -4.763 90 HG3 GLU 16 HG3 GLU 16 14.143 -3.462 -3.144 91 H ALA 17 H ALA 17 10.058 -2.157 -1.379 92 HA ALA 17 HA ALA 17 7.477 -3.112 -2.573 93 HB1 ALA 17 HB1 ALA 17 8.225 -2.735 0.351 94 HB2 ALA 17 HB2 ALA 17 6.655 -3.295 -0.269 95 HB3 ALA 17 HB3 ALA 17 8.109 -4.291 -0.504 96 H ILE 18 H ILE 18 9.254 -0.357 -1.289 97 HA ILE 18 HA ILE 18 6.849 1.279 -0.976 98 HB ILE 18 HB ILE 18 9.824 1.750 -0.686 99 HG12 ILE 18 HG12 ILE 18 7.537 1.983 1.324 100 HG13 ILE 18 HG13 ILE 18 8.440 0.490 1.059 101 HG21 ILE 18 HG21 ILE 18 8.893 3.834 -1.580 102 HG22 ILE 18 HG22 ILE 18 7.595 3.805 -0.367 103 HG23 ILE 18 HG23 ILE 18 9.286 4.035 0.133 104 HD11 ILE 18 HD11 ILE 18 9.395 1.633 2.968 105 HD12 ILE 18 HD12 ILE 18 10.562 1.712 1.633 106 HD13 ILE 18 HD13 ILE 18 9.583 3.138 2.045 107 H GLU 19 H GLU 19 9.330 0.726 -3.516 108 HA GLU 19 HA GLU 19 8.607 3.134 -4.933 109 HB2 GLU 19 HB2 GLU 19 10.050 0.590 -5.749 110 HB3 GLU 19 HB3 GLU 19 9.740 1.931 -6.870 111 HG2 GLU 19 HG2 GLU 19 10.903 3.493 -5.341 112 HG3 GLU 19 HG3 GLU 19 11.262 2.161 -4.241 113 H SER 20 H SER 20 7.313 -0.208 -4.901 114 HA SER 20 HA SER 20 5.677 0.225 -7.257 115 HB2 SER 20 HB2 SER 20 5.737 -1.896 -5.073 116 HB3 SER 20 HB3 SER 20 4.761 -1.982 -6.554 117 HG SER 20 HG SER 20 6.792 -3.062 -6.747 118 H PHE 21 H PHE 21 5.384 0.834 -3.812 119 HA PHE 21 HA PHE 21 2.487 0.890 -3.733 120 HB2 PHE 21 HB2 PHE 21 4.143 0.592 -1.806 121 HB3 PHE 21 HB3 PHE 21 4.531 2.270 -1.958 122 HD1 PHE 21 HD1 PHE 21 2.512 3.981 -1.730 123 HD2 PHE 21 HD2 PHE 21 2.426 -0.085 -0.333 124 HE1 PHE 21 HE1 PHE 21 0.566 4.510 -0.294 125 HE2 PHE 21 HE2 PHE 21 0.479 0.445 1.098 126 HZ PHE 21 HZ PHE 21 -0.468 2.731 1.108 127 H THR 22 H THR 22 5.094 3.303 -3.947 128 HA THR 22 HA THR 22 3.339 5.583 -4.294 129 HB THR 22 HB THR 22 6.163 5.577 -5.277 130 HG1 THR 22 HG1 THR 22 6.365 4.392 -3.361 131 HG21 THR 22 HG21 THR 22 4.610 7.427 -3.413 132 HG22 THR 22 HG22 THR 22 6.230 7.741 -4.075 133 HG23 THR 22 HG23 THR 22 4.819 7.679 -5.164 134 H SER 23 H SER 23 4.177 3.020 -6.364 135 HA SER 23 HA SER 23 4.073 4.648 -8.805 136 HB2 SER 23 HB2 SER 23 4.234 1.685 -8.279 137 HB3 SER 23 HB3 SER 23 4.126 2.362 -9.912 138 HG SER 23 HG SER 23 6.187 2.775 -8.023 139 H LEU 24 H LEU 24 1.934 3.025 -6.639 140 HA LEU 24 HA LEU 24 -0.262 2.968 -8.666 141 HB2 LEU 24 HB2 LEU 24 0.268 1.300 -6.178 142 HB3 LEU 24 HB3 LEU 24 -1.247 1.275 -7.088 143 HG LEU 24 HG LEU 24 1.499 0.595 -8.253 144 HD11 LEU 24 HD11 LEU 24 0.650 -1.737 -8.250 145 HD12 LEU 24 HD12 LEU 24 0.790 -1.075 -6.609 146 HD13 LEU 24 HD13 LEU 24 -0.807 -1.198 -7.388 147 HD21 LEU 24 HD21 LEU 24 -0.058 1.411 -9.983 148 HD22 LEU 24 HD22 LEU 24 0.173 -0.336 -10.136 149 HD23 LEU 24 HD23 LEU 24 -1.312 0.294 -9.389 150 H THR 25 H THR 25 0.923 4.414 -5.779 151 HA THR 25 HA THR 25 -1.642 5.878 -5.563 152 HB THR 25 HB THR 25 -1.301 6.117 -3.153 153 HG1 THR 25 HG1 THR 25 0.873 4.345 -3.557 154 HG21 THR 25 HG21 THR 25 -1.181 3.192 -4.002 155 HG22 THR 25 HG22 THR 25 -1.784 3.813 -2.451 156 HG23 THR 25 HG23 THR 25 -2.643 4.201 -3.954 157 H LYS 26 H LYS 26 -1.263 8.160 -4.792 158 HA LYS 26 HA LYS 26 1.371 9.073 -5.840 159 HB2 LYS 26 HB2 LYS 26 -1.320 10.472 -6.001 160 HB3 LYS 26 HB3 LYS 26 0.211 11.098 -6.623 161 HG2 LYS 26 HG2 LYS 26 -1.234 8.576 -7.557 162 HG3 LYS 26 HG3 LYS 26 -1.064 10.097 -8.441 163 HD2 LYS 26 HD2 LYS 26 1.194 8.182 -7.696 164 HD3 LYS 26 HD3 LYS 26 0.499 8.397 -9.296 165 HE2 LYS 26 HE2 LYS 26 1.224 10.775 -9.299 166 HE3 LYS 26 HE3 LYS 26 1.928 10.560 -7.691 167 HZ1 LYS 26 HZ1 LYS 26 3.398 8.908 -8.625 168 HZ2 LYS 26 HZ2 LYS 26 2.741 9.110 -10.120 169 HZ3 LYS 26 HZ3 LYS 26 3.571 10.339 -9.421 170 H CYS 27 H CYS 27 0.696 8.371 -3.043 171 HA CYS 27 HA CYS 27 1.002 10.969 -1.680 172 HB2 CYS 27 HB2 CYS 27 0.939 9.596 0.361 173 HB3 CYS 27 HB3 CYS 27 -0.440 9.242 -0.701 174 HG CYS 27 HG CYS 27 0.410 7.028 0.405 175 H ASP 28 H ASP 28 2.861 10.752 0.203 176 HA ASP 28 HA ASP 28 5.347 10.644 -1.225 177 HB2 ASP 28 HB2 ASP 28 4.650 10.850 1.722 178 HB3 ASP 28 HB3 ASP 28 6.270 11.103 1.049 179 HA PRO 29 HA PRO 29 6.522 6.420 -0.748 180 HB2 PRO 29 HB2 PRO 29 9.140 7.552 0.271 181 HB3 PRO 29 HB3 PRO 29 8.891 6.286 -0.963 182 HG2 PRO 29 HG2 PRO 29 9.512 8.805 -1.737 183 HG3 PRO 29 HG3 PRO 29 8.128 7.990 -2.558 184 HD2 PRO 29 HD2 PRO 29 8.041 9.907 -0.198 185 HD3 PRO 29 HD3 PRO 29 7.111 10.005 -1.717 186 H LYS 30 H LYS 30 7.131 8.737 1.820 187 HA LYS 30 HA LYS 30 8.005 6.944 3.818 188 HB2 LYS 30 HB2 LYS 30 6.913 9.753 3.763 189 HB3 LYS 30 HB3 LYS 30 7.514 8.968 5.258 190 HG2 LYS 30 HG2 LYS 30 9.654 8.436 4.002 191 HG3 LYS 30 HG3 LYS 30 9.059 9.457 2.664 192 HD2 LYS 30 HD2 LYS 30 8.823 11.340 4.224 193 HD3 LYS 30 HD3 LYS 30 9.365 10.282 5.552 194 HE2 LYS 30 HE2 LYS 30 11.553 9.986 4.417 195 HE3 LYS 30 HE3 LYS 30 11.005 11.018 3.082 196 HZ1 LYS 30 HZ1 LYS 30 11.312 11.880 5.884 197 HZ2 LYS 30 HZ2 LYS 30 12.346 12.239 4.662 198 HZ3 LYS 30 HZ3 LYS 30 10.814 12.830 4.636 199 H VAL 31 H VAL 31 4.850 7.587 2.529 200 HA VAL 31 HA VAL 31 3.388 6.798 4.964 201 HB VAL 31 HB VAL 31 2.448 7.312 2.113 202 HG11 VAL 31 HG11 VAL 31 0.932 7.061 4.750 203 HG12 VAL 31 HG12 VAL 31 0.225 7.595 3.209 204 HG13 VAL 31 HG13 VAL 31 0.842 5.939 3.364 205 HG21 VAL 31 HG21 VAL 31 1.679 9.488 3.045 206 HG22 VAL 31 HG22 VAL 31 2.451 9.087 4.595 207 HG23 VAL 31 HG23 VAL 31 3.443 9.326 3.143 208 H SER 32 H SER 32 4.708 5.335 2.029 209 HA SER 32 HA SER 32 3.069 2.965 2.097 210 HB2 SER 32 HB2 SER 32 4.238 3.631 0.089 211 HB3 SER 32 HB3 SER 32 5.807 3.547 0.891 212 HG SER 32 HG SER 32 5.264 1.632 -0.302 213 H ARG 33 H ARG 33 6.300 3.799 3.372 214 HA ARG 33 HA ARG 33 7.001 1.331 4.541 215 HB2 ARG 33 HB2 ARG 33 8.573 3.166 4.466 216 HB3 ARG 33 HB3 ARG 33 7.485 4.219 5.382 217 HG2 ARG 33 HG2 ARG 33 7.758 2.877 7.395 218 HG3 ARG 33 HG3 ARG 33 8.738 1.683 6.525 219 HD2 ARG 33 HD2 ARG 33 9.490 4.618 6.782 220 HD3 ARG 33 HD3 ARG 33 10.040 3.355 7.897 221 HE ARG 33 HE ARG 33 10.989 2.204 5.838 222 HH11 ARG 33 HH11 ARG 33 10.685 5.728 5.993 223 HH12 ARG 33 HH12 ARG 33 12.024 5.993 4.900 224 HH21 ARG 33 HH21 ARG 33 12.690 2.566 4.478 225 HH22 ARG 33 HH22 ARG 33 13.163 4.189 4.014 226 H LYS 34 H LYS 34 4.639 3.731 5.558 227 HA LYS 34 HA LYS 34 4.332 2.554 8.232 228 HB2 LYS 34 HB2 LYS 34 4.331 4.940 8.043 229 HB3 LYS 34 HB3 LYS 34 3.149 4.908 6.723 230 HG2 LYS 34 HG2 LYS 34 1.392 4.185 8.227 231 HG3 LYS 34 HG3 LYS 34 2.538 4.089 9.593 232 HD2 LYS 34 HD2 LYS 34 2.934 6.470 9.518 233 HD3 LYS 34 HD3 LYS 34 2.115 6.619 7.955 234 HE2 LYS 34 HE2 LYS 34 0.659 7.433 9.734 235 HE3 LYS 34 HE3 LYS 34 -0.019 6.006 8.944 236 HZ1 LYS 34 HZ1 LYS 34 0.778 4.686 10.796 237 HZ2 LYS 34 HZ2 LYS 34 1.437 6.010 11.514 238 HZ3 LYS 34 HZ3 LYS 34 -0.190 5.886 11.352 239 H TYR 35 H TYR 35 2.861 2.230 5.074 240 HA TYR 35 HA TYR 35 0.560 0.807 6.311 241 HB2 TYR 35 HB2 TYR 35 0.999 2.147 3.666 242 HB3 TYR 35 HB3 TYR 35 -0.107 0.774 3.751 243 HD1 TYR 35 HD1 TYR 35 0.503 4.194 5.091 244 HD2 TYR 35 HD2 TYR 35 -2.235 0.896 4.763 245 HE1 TYR 35 HE1 TYR 35 -1.308 5.623 6.001 246 HE2 TYR 35 HE2 TYR 35 -4.058 2.319 5.669 247 HH TYR 35 HH TYR 35 -3.527 5.727 6.627 248 H LEU 36 H LEU 36 3.654 0.112 5.157 249 HA LEU 36 HA LEU 36 2.870 -2.657 4.391 250 HB2 LEU 36 HB2 LEU 36 5.439 -1.023 4.270 251 HB3 LEU 36 HB3 LEU 36 5.418 -2.764 3.962 252 HG LEU 36 HG LEU 36 3.648 -0.837 2.416 253 HD11 LEU 36 HD11 LEU 36 5.358 -0.963 0.632 254 HD12 LEU 36 HD12 LEU 36 6.012 -0.207 2.099 255 HD13 LEU 36 HD13 LEU 36 6.419 -1.899 1.711 256 HD21 LEU 36 HD21 LEU 36 3.559 -2.682 0.817 257 HD22 LEU 36 HD22 LEU 36 4.715 -3.629 1.785 258 HD23 LEU 36 HD23 LEU 36 3.087 -3.307 2.415 259 H GLN 37 H GLN 37 3.682 -0.796 7.093 260 HA GLN 37 HA GLN 37 5.243 -2.865 8.468 261 HB2 GLN 37 HB2 GLN 37 4.902 0.003 8.596 262 HB3 GLN 37 HB3 GLN 37 4.689 -0.710 10.222 263 HG2 GLN 37 HG2 GLN 37 6.842 -1.750 10.119 264 HG3 GLN 37 HG3 GLN 37 6.907 -1.565 8.361 265 HE21 GLN 37 HE22 GLN 37 9.101 -0.791 8.957 266 HE22 GLN 37 HE21 GLN 37 9.253 0.942 9.095 267 H ARG 38 H ARG 38 2.044 -2.473 7.859 268 HA ARG 38 HA ARG 38 1.233 -3.710 10.457 269 HB2 ARG 38 HB2 ARG 38 -0.816 -2.522 8.644 270 HB3 ARG 38 HB3 ARG 38 -0.773 -2.565 10.402 271 HG2 ARG 38 HG2 ARG 38 0.810 -0.705 8.581 272 HG3 ARG 38 HG3 ARG 38 -0.640 -0.279 9.484 273 HD2 ARG 38 HD2 ARG 38 2.020 -1.085 10.728 274 HD3 ARG 38 HD3 ARG 38 1.353 0.546 10.637 275 HE ARG 38 HE ARG 38 -0.480 -0.159 12.101 276 HH11 ARG 38 HH11 ARG 38 2.342 -2.309 11.992 277 HH12 ARG 38 HH12 ARG 38 2.004 -3.004 13.555 278 HH21 ARG 38 HH21 ARG 38 -0.886 -1.107 14.127 279 HH22 ARG 38 HH22 ARG 38 0.187 -2.341 14.747 280 H ASN 39 H ASN 39 2.067 -4.478 7.373 281 HA ASN 39 HA ASN 39 -0.044 -6.527 7.046 282 HB2 ASN 39 HB2 ASN 39 0.798 -4.455 4.979 283 HB3 ASN 39 HB3 ASN 39 -0.355 -5.755 4.701 284 HD21 ASN 39 HD22 ASN 39 0.029 -2.538 5.610 285 HD22 ASN 39 HD21 ASN 39 -1.447 -2.245 6.478 286 H HIS 40 H HIS 40 2.775 -6.733 7.836 287 HA HIS 40 HA HIS 40 4.558 -8.052 7.424 288 HB2 HIS 40 HB2 HIS 40 2.796 -9.617 5.536 289 HB3 HIS 40 HB3 HIS 40 4.107 -10.207 6.570 290 HD2 HIS 40 HD2 HIS 40 0.520 -10.348 6.417 291 HE1 HIS 40 HE1 HIS 40 1.161 -9.980 10.606 292 HE2 HIS 40 HE2 HIS 40 -0.534 -10.590 8.807 293 H TRP 41 H TRP 41 4.195 -5.720 5.656 294 HA TRP 41 HA TRP 41 5.082 -4.765 3.854 295 HB2 TRP 41 HB2 TRP 41 7.251 -6.763 4.511 296 HB3 TRP 41 HB3 TRP 41 7.416 -5.556 3.253 297 HD1 TRP 41 HD1 TRP 41 6.891 -5.715 7.049 298 HE1 TRP 41 HE1 TRP 41 7.626 -3.483 8.077 299 HE3 TRP 41 HE3 TRP 41 8.017 -3.307 2.783 300 HZ2 TRP 41 HZ2 TRP 41 8.305 -0.794 7.067 301 HZ3 TRP 41 HZ3 TRP 41 8.785 -0.916 2.792 302 HH2 TRP 41 HH2 TRP 41 8.948 0.317 4.930 303 H ASN 42 H ASN 42 3.138 -6.954 3.277 304 HA ASN 42 HA ASN 42 3.938 -7.553 0.498 305 HB2 ASN 42 HB2 ASN 42 1.625 -8.297 2.308 306 HB3 ASN 42 HB3 ASN 42 1.461 -8.403 0.558 307 HD21 ASN 42 HD22 ASN 42 1.100 -10.720 1.084 308 HD22 ASN 42 HD21 ASN 42 2.514 -11.750 1.116 309 H ILE 43 H ILE 43 3.389 -6.225 -1.170 310 HA ILE 43 HA ILE 43 1.922 -3.789 -0.613 311 HB ILE 43 HB ILE 43 3.306 -5.044 -2.961 312 HG12 ILE 43 HG12 ILE 43 4.332 -3.483 -1.216 313 HG13 ILE 43 HG13 ILE 43 4.545 -2.939 -2.900 314 HG21 ILE 43 HG21 ILE 43 1.298 -2.776 -3.260 315 HG22 ILE 43 HG22 ILE 43 2.525 -3.223 -4.470 316 HG23 ILE 43 HG23 ILE 43 1.236 -4.364 -4.050 317 HD11 ILE 43 HD11 ILE 43 3.881 -1.238 -1.175 318 HD12 ILE 43 HD12 ILE 43 2.921 -1.270 -2.679 319 HD13 ILE 43 HD13 ILE 43 2.261 -1.963 -1.174 320 H ASN 44 H ASN 44 0.992 -7.017 -1.410 321 HA ASN 44 HA ASN 44 -1.538 -6.126 -2.613 322 HB2 ASN 44 HB2 ASN 44 -0.489 -8.882 -1.830 323 HB3 ASN 44 HB3 ASN 44 -2.001 -8.590 -2.703 324 HD21 ASN 44 HD22 ASN 44 0.209 -10.173 -3.651 325 HD22 ASN 44 HD21 ASN 44 0.790 -9.402 -5.116 326 H TYR 45 H TYR 45 -0.274 -6.515 0.509 327 HA TYR 45 HA TYR 45 -2.974 -6.901 1.715 328 HB2 TYR 45 HB2 TYR 45 -0.144 -7.284 2.750 329 HB3 TYR 45 HB3 TYR 45 -1.563 -7.428 3.758 330 HD1 TYR 45 HD1 TYR 45 -2.874 -8.806 0.919 331 HD2 TYR 45 HD2 TYR 45 0.208 -9.591 3.814 332 HE1 TYR 45 HE1 TYR 45 -3.015 -11.218 0.406 333 HE2 TYR 45 HE2 TYR 45 0.067 -12.020 3.307 334 HH TYR 45 HH TYR 45 -2.226 -13.320 0.882 335 H ALA 46 H ALA 46 -0.713 -4.525 0.876 336 HA ALA 46 HA ALA 46 -1.327 -2.835 3.249 337 HB1 ALA 46 HB1 ALA 46 1.009 -3.225 2.853 338 HB2 ALA 46 HB2 ALA 46 0.847 -2.760 1.134 339 HB3 ALA 46 HB3 ALA 46 0.646 -1.541 2.427 340 H LEU 47 H LEU 47 -1.588 -2.937 -0.339 341 HA LEU 47 HA LEU 47 -2.374 -0.167 -0.538 342 HB2 LEU 47 HB2 LEU 47 -2.722 -2.589 -2.352 343 HB3 LEU 47 HB3 LEU 47 -3.274 -0.967 -2.787 344 HG LEU 47 HG LEU 47 -0.396 -1.653 -2.121 345 HD11 LEU 47 HD11 LEU 47 -0.042 -1.373 -4.551 346 HD12 LEU 47 HD12 LEU 47 -1.182 -2.699 -4.226 347 HD13 LEU 47 HD13 LEU 47 -1.789 -1.124 -4.782 348 HD21 LEU 47 HD21 LEU 47 0.055 0.581 -3.115 349 HD22 LEU 47 HD22 LEU 47 -1.696 0.861 -3.248 350 HD23 LEU 47 HD23 LEU 47 -0.930 0.708 -1.649 351 H ASN 48 H ASN 48 -4.101 -3.224 0.095 352 HA ASN 48 HA ASN 48 -6.716 -2.067 -0.303 353 HB2 ASN 48 HB2 ASN 48 -5.746 -4.561 1.140 354 HB3 ASN 48 HB3 ASN 48 -7.450 -4.126 0.975 355 HD21 ASN 48 HD21 ASN 48 -4.693 -5.518 -0.618 356 HD22 ASN 48 HD22 ASN 48 -5.468 -5.814 -2.159 357 H ASP 49 H ASP 49 -4.404 -1.951 2.349 358 HA ASP 49 HA ASP 49 -6.435 -1.137 4.297 359 HB2 ASP 49 HB2 ASP 49 -4.161 -2.316 4.738 360 HB3 ASP 49 HB3 ASP 49 -3.429 -0.746 4.457 361 H TYR 50 H TYR 50 -4.205 0.354 2.007 362 HA TYR 50 HA TYR 50 -4.580 3.062 2.977 363 HB2 TYR 50 HB2 TYR 50 -2.602 2.242 1.745 364 HB3 TYR 50 HB3 TYR 50 -3.581 1.979 0.312 365 HD1 TYR 50 HD1 TYR 50 -2.097 4.549 2.523 366 HD2 TYR 50 HD2 TYR 50 -4.327 3.814 -1.080 367 HE1 TYR 50 HE1 TYR 50 -1.732 6.900 1.823 368 HE2 TYR 50 HE2 TYR 50 -3.976 6.167 -1.788 369 HH TYR 50 HH TYR 50 -2.158 8.500 0.230 370 H TYR 51 H TYR 51 -6.149 0.943 0.605 371 HA TYR 51 HA TYR 51 -7.834 3.064 -0.458 372 HB2 TYR 51 HB2 TYR 51 -8.004 0.043 -0.753 373 HB3 TYR 51 HB3 TYR 51 -8.943 1.221 -1.675 374 HD1 TYR 51 HD2 TYR 51 -6.734 3.293 -2.082 375 HD2 TYR 51 HD1 TYR 51 -6.790 -0.986 -2.521 376 HE1 TYR 51 HE2 TYR 51 -4.929 3.452 -3.753 377 HE2 TYR 51 HE1 TYR 51 -4.957 -0.839 -4.190 378 HH TYR 51 HH TYR 51 -3.567 0.547 -5.373 379 H ASP 52 H ASP 52 -7.825 1.528 2.499 380 HA ASP 52 HA ASP 52 -10.787 1.694 2.804 381 HB2 ASP 52 HB2 ASP 52 -8.531 0.407 4.386 382 HB3 ASP 52 HB3 ASP 52 -10.149 0.601 5.030 383 H LYS 53 H LYS 53 -7.727 3.186 3.631 384 HA LYS 53 HA LYS 53 -9.045 4.711 5.843 385 HB2 LYS 53 HB2 LYS 53 -6.347 3.411 5.607 386 HB3 LYS 53 HB3 LYS 53 -6.680 4.677 6.809 387 HG2 LYS 53 HG2 LYS 53 -8.324 3.412 7.911 388 HG3 LYS 53 HG3 LYS 53 -8.566 2.321 6.532 389 HD2 LYS 53 HD2 LYS 53 -7.332 1.218 8.334 390 HD3 LYS 53 HD3 LYS 53 -6.399 1.336 6.820 391 HE2 LYS 53 HE2 LYS 53 -5.188 3.302 7.723 392 HE3 LYS 53 HE3 LYS 53 -6.076 3.147 9.249 393 HZ1 LYS 53 HZ1 LYS 53 -4.302 1.096 8.089 394 HZ2 LYS 53 HZ2 LYS 53 -3.913 2.089 9.339 395 HZ3 LYS 53 HZ3 LYS 53 -5.106 0.973 9.517 396 H GLU 54 H GLU 54 -7.445 5.008 2.801 397 HA GLU 54 HA GLU 54 -7.061 7.916 3.273 398 HB2 GLU 54 HB2 GLU 54 -5.043 6.049 1.981 399 HB3 GLU 54 HB3 GLU 54 -4.897 7.808 2.052 400 HG2 GLU 54 HG2 GLU 54 -5.005 5.978 4.477 401 HG3 GLU 54 HG3 GLU 54 -3.528 6.645 3.775 402 H ILE 55 H ILE 55 -8.842 5.803 1.631 403 HA ILE 55 HA ILE 55 -8.257 6.335 -1.086 404 HB ILE 55 HB ILE 55 -9.543 4.429 -0.295 405 HG12 ILE 55 HG12 ILE 55 -11.193 6.185 -2.145 406 HG13 ILE 55 HG13 ILE 55 -9.748 5.283 -2.632 407 HG21 ILE 55 HG21 ILE 55 -10.809 5.555 1.517 408 HG22 ILE 55 HG22 ILE 55 -11.757 6.439 0.305 409 HG23 ILE 55 HG23 ILE 55 -11.891 4.671 0.432 410 HD11 ILE 55 HD11 ILE 55 -10.857 3.160 -1.978 411 HD12 ILE 55 HD12 ILE 55 -12.336 4.071 -1.571 412 HD13 ILE 55 HD13 ILE 55 -11.747 4.028 -3.242 413 H GLY 56 H GLY 56 -9.344 7.711 -2.620 414 HA2 GLY 56 HA2 GLY 56 -9.699 10.371 -1.555 415 HA3 GLY 56 HA3 GLY 56 -9.768 9.867 -3.258 416 H THR 57 H THR 57 -11.944 7.793 -2.144 417 HA THR 57 HA THR 57 -14.168 9.609 -1.596 418 HB THR 57 HB THR 57 -13.939 9.758 -4.056 419 HG1 THR 57 HG1 THR 57 -16.108 9.141 -4.450 420 HG21 THR 57 HG21 THR 57 -14.516 6.761 -4.025 421 HG22 THR 57 HG22 THR 57 -14.415 7.806 -5.460 422 HG23 THR 57 HG23 THR 57 -12.965 7.513 -4.479 423 H PHE 58 H PHE 58 -16.224 8.415 -1.260 424 HA PHE 58 HA PHE 58 -15.745 5.612 -0.390 425 HB2 PHE 58 HB2 PHE 58 -17.246 7.821 1.035 426 HB3 PHE 58 HB3 PHE 58 -17.197 6.125 1.538 427 HD1 PHE 58 HD2 PHE 58 -15.074 5.091 2.278 428 HD2 PHE 58 HD1 PHE 58 -15.359 9.279 1.379 429 HE1 PHE 58 HE2 PHE 58 -12.922 5.478 3.436 430 HE2 PHE 58 HE1 PHE 58 -13.205 9.681 2.555 431 HZ PHE 58 HZ PHE 58 -11.981 7.778 3.582 432 H THR 59 H THR 59 -17.269 7.444 -2.587 433 HA THR 59 HA THR 59 -19.508 5.534 -2.881 434 HB THR 59 HB THR 59 -20.414 7.398 -1.564 435 HG1 THR 59 HG1 THR 59 -21.781 6.394 -3.004 436 HG21 THR 59 HG21 THR 59 -20.643 9.636 -2.563 437 HG22 THR 59 HG22 THR 59 -18.930 9.218 -2.387 438 HG23 THR 59 HG23 THR 59 -19.707 9.120 -3.985 439 H ASP 60 H ASP 60 -20.454 5.529 -5.010 440 HA ASP 60 HA ASP 60 -19.043 6.998 -7.127 441 HB2 ASP 60 HB2 ASP 60 -17.647 4.978 -6.723 442 HB3 ASP 60 HB3 ASP 60 -19.073 3.956 -6.969 443 H GLU 61 H GLU 61 -20.164 7.014 -9.108 444 HA GLU 61 HA GLU 61 -22.753 5.644 -9.213 445 HB2 GLU 61 HB2 GLU 61 -23.993 7.719 -9.657 446 HB3 GLU 61 HB3 GLU 61 -23.259 7.741 -8.041 447 HG2 GLU 61 HG2 GLU 61 -21.407 9.125 -8.913 448 HG3 GLU 61 HG3 GLU 61 -22.144 9.104 -10.528 449 H VAL 62 H VAL 62 -23.823 5.949 -11.356 450 HA VAL 62 HA VAL 62 -21.925 6.589 -13.555 451 HB VAL 62 HB VAL 62 -23.585 4.046 -13.338 452 HG11 VAL 62 HG11 VAL 62 -21.673 5.055 -15.492 453 HG12 VAL 62 HG12 VAL 62 -22.431 3.446 -15.452 454 HG13 VAL 62 HG13 VAL 62 -23.436 4.896 -15.651 455 HG21 VAL 62 HG21 VAL 62 -21.578 3.945 -11.921 456 HG22 VAL 62 HG22 VAL 62 -21.372 2.916 -13.351 457 HG23 VAL 62 HG23 VAL 62 -20.571 4.504 -13.279 Start of MODEL 7 1 HA ILE 6 HA ILE 6 20.465 -1.374 -12.664 2 HB ILE 6 HB ILE 6 21.127 0.352 -15.090 3 HG12 ILE 6 HG12 ILE 6 20.823 -2.666 -14.799 4 HG13 ILE 6 HG13 ILE 6 19.675 -1.582 -15.612 5 HG21 ILE 6 HG21 ILE 6 22.835 -1.686 -13.595 6 HG22 ILE 6 HG22 ILE 6 23.297 -0.843 -15.093 7 HG23 ILE 6 HG23 ILE 6 23.097 0.076 -13.605 8 HD11 ILE 6 HD11 ILE 6 21.480 -0.929 -17.218 9 HD12 ILE 6 HD12 ILE 6 22.519 -2.179 -16.486 10 HD13 ILE 6 HD13 ILE 6 21.011 -2.641 -17.293 11 H LYS 7 H LYS 7 19.054 1.652 -12.710 12 HA LYS 7 HA LYS 7 21.301 3.072 -11.438 13 HB2 LYS 7 HB2 LYS 7 18.505 4.030 -12.156 14 HB3 LYS 7 HB3 LYS 7 19.839 5.050 -11.614 15 HG2 LYS 7 HG2 LYS 7 19.727 3.432 -14.197 16 HG3 LYS 7 HG3 LYS 7 19.574 5.186 -14.039 17 HD2 LYS 7 HD2 LYS 7 22.055 3.531 -13.394 18 HD3 LYS 7 HD3 LYS 7 21.818 4.580 -14.800 19 HE2 LYS 7 HE2 LYS 7 21.572 6.539 -13.302 20 HE3 LYS 7 HE3 LYS 7 21.841 5.495 -11.895 21 HZ1 LYS 7 HZ1 LYS 7 23.854 6.600 -12.569 22 HZ2 LYS 7 HZ2 LYS 7 24.010 4.975 -12.768 23 HZ3 LYS 7 HZ3 LYS 7 23.763 5.951 -14.074 24 H ARG 8 H ARG 8 19.335 0.853 -10.241 25 HA ARG 8 HA ARG 8 19.195 2.193 -7.602 26 HB2 ARG 8 HB2 ARG 8 16.967 1.294 -7.182 27 HB3 ARG 8 HB3 ARG 8 16.962 2.380 -8.588 28 HG2 ARG 8 HG2 ARG 8 17.077 0.416 -10.077 29 HG3 ARG 8 HG3 ARG 8 16.954 -0.634 -8.642 30 HD2 ARG 8 HD2 ARG 8 14.902 1.447 -9.532 31 HD3 ARG 8 HD3 ARG 8 14.742 -0.302 -9.734 32 HE ARG 8 HE ARG 8 14.277 1.244 -7.316 33 HH11 ARG 8 HH11 ARG 8 15.119 -1.980 -8.548 34 HH12 ARG 8 HH12 ARG 8 14.600 -2.765 -7.064 35 HH21 ARG 8 HH21 ARG 8 13.678 0.145 -5.413 36 HH22 ARG 8 HH22 ARG 8 13.791 -1.607 -5.360 37 H LYS 9 H LYS 9 21.063 0.235 -8.825 38 HA LYS 9 HA LYS 9 20.563 -2.311 -7.531 39 HB2 LYS 9 HB2 LYS 9 22.996 -1.141 -8.883 40 HB3 LYS 9 HB3 LYS 9 22.916 -2.778 -8.191 41 HG2 LYS 9 HG2 LYS 9 20.928 -3.288 -9.588 42 HG3 LYS 9 HG3 LYS 9 21.019 -1.666 -10.304 43 HD2 LYS 9 HD2 LYS 9 22.036 -3.277 -11.798 44 HD3 LYS 9 HD3 LYS 9 23.280 -2.174 -11.149 45 HE2 LYS 9 HE2 LYS 9 23.940 -3.897 -9.495 46 HE3 LYS 9 HE3 LYS 9 22.678 -4.978 -10.107 47 HZ1 LYS 9 HZ1 LYS 9 24.977 -3.982 -11.661 48 HZ2 LYS 9 HZ2 LYS 9 24.820 -5.497 -11.048 49 HZ3 LYS 9 HZ3 LYS 9 23.806 -4.978 -12.232 50 H ASP 10 H ASP 10 20.508 0.168 -5.862 51 HA ASP 10 HA ASP 10 22.356 -0.800 -3.775 52 HB2 ASP 10 HB2 ASP 10 23.208 1.249 -5.015 53 HB3 ASP 10 HB3 ASP 10 21.817 2.139 -4.382 54 H ALA 11 H ALA 11 19.415 -0.960 -4.541 55 HA ALA 11 HA ALA 11 17.913 0.650 -2.702 56 HB1 ALA 11 HB1 ALA 11 17.107 -0.116 -4.879 57 HB2 ALA 11 HB2 ALA 11 17.214 -1.806 -4.346 58 HB3 ALA 11 HB3 ALA 11 16.040 -0.697 -3.579 59 H SER 12 H SER 12 16.088 -0.817 -1.471 60 HA SER 12 HA SER 12 17.546 -2.617 0.392 61 HB2 SER 12 HB2 SER 12 17.095 -1.280 2.202 62 HB3 SER 12 HB3 SER 12 17.181 -0.021 0.967 63 HG SER 12 HG SER 12 15.286 0.014 2.354 64 HA PRO 13 HA PRO 13 13.990 -5.112 0.185 65 HB2 PRO 13 HB2 PRO 13 13.215 -5.774 2.716 66 HB3 PRO 13 HB3 PRO 13 14.850 -6.241 2.117 67 HG2 PRO 13 HG2 PRO 13 14.128 -3.724 3.689 68 HG3 PRO 13 HG3 PRO 13 15.350 -4.978 4.135 69 HD2 PRO 13 HD2 PRO 13 16.097 -2.769 2.811 70 HD3 PRO 13 HD3 PRO 13 16.736 -4.359 2.270 71 H GLU 14 H GLU 14 13.674 -2.353 2.342 72 HA GLU 14 HA GLU 14 10.765 -2.297 2.276 73 HB2 GLU 14 HB2 GLU 14 12.877 -0.233 3.046 74 HB3 GLU 14 HB3 GLU 14 11.121 -0.034 3.252 75 HG2 GLU 14 HG2 GLU 14 11.057 -2.024 4.718 76 HG3 GLU 14 HG3 GLU 14 12.812 -2.173 4.568 77 H GLN 15 H GLN 15 13.486 -0.912 0.450 78 HA GLN 15 HA GLN 15 11.954 1.041 -0.974 79 HB2 GLN 15 HB2 GLN 15 14.684 0.194 -0.724 80 HB3 GLN 15 HB3 GLN 15 14.291 0.095 -2.444 81 HG2 GLN 15 HG2 GLN 15 15.106 2.352 -1.751 82 HG3 GLN 15 HG3 GLN 15 13.440 2.375 -2.411 83 HE21 GLN 15 HE22 GLN 15 14.582 1.288 0.804 84 HE22 GLN 15 HE21 GLN 15 13.550 2.356 1.728 85 H GLU 16 H GLU 16 12.455 -2.345 -1.343 86 HA GLU 16 HA GLU 16 11.797 -2.446 -4.163 87 HB2 GLU 16 HB2 GLU 16 11.777 -4.523 -1.928 88 HB3 GLU 16 HB3 GLU 16 11.327 -4.935 -3.592 89 HG2 GLU 16 HG2 GLU 16 13.989 -3.638 -2.926 90 HG3 GLU 16 HG3 GLU 16 13.737 -5.393 -2.894 91 H ALA 17 H ALA 17 9.899 -2.477 -1.184 92 HA ALA 17 HA ALA 17 7.444 -2.870 -2.821 93 HB1 ALA 17 HB1 ALA 17 7.836 -2.864 0.186 94 HB2 ALA 17 HB2 ALA 17 6.297 -3.152 -0.672 95 HB3 ALA 17 HB3 ALA 17 7.648 -4.296 -0.857 96 H ILE 18 H ILE 18 9.252 -0.355 -1.126 97 HA ILE 18 HA ILE 18 6.964 1.409 -0.878 98 HB ILE 18 HB ILE 18 9.961 1.754 -0.634 99 HG12 ILE 18 HG12 ILE 18 7.715 2.147 1.395 100 HG13 ILE 18 HG13 ILE 18 8.504 0.589 1.137 101 HG21 ILE 18 HG21 ILE 18 9.512 4.073 0.160 102 HG22 ILE 18 HG22 ILE 18 9.114 3.867 -1.552 103 HG23 ILE 18 HG23 ILE 18 7.812 3.895 -0.346 104 HD11 ILE 18 HD11 ILE 18 9.580 1.701 3.013 105 HD12 ILE 18 HD12 ILE 18 10.721 1.668 1.659 106 HD13 ILE 18 HD13 ILE 18 9.853 3.169 2.059 107 H GLU 19 H GLU 19 9.471 0.820 -3.410 108 HA GLU 19 HA GLU 19 8.724 3.247 -4.820 109 HB2 GLU 19 HB2 GLU 19 10.351 0.800 -5.590 110 HB3 GLU 19 HB3 GLU 19 10.053 2.162 -6.688 111 HG2 GLU 19 HG2 GLU 19 11.064 3.727 -5.081 112 HG3 GLU 19 HG3 GLU 19 11.347 2.404 -3.944 113 H SER 20 H SER 20 7.585 -0.142 -4.873 114 HA SER 20 HA SER 20 6.062 0.325 -7.335 115 HB2 SER 20 HB2 SER 20 6.477 -2.022 -5.455 116 HB3 SER 20 HB3 SER 20 5.384 -2.065 -6.853 117 HG SER 20 HG SER 20 7.518 -2.819 -7.318 118 H PHE 21 H PHE 21 5.561 0.550 -3.876 119 HA PHE 21 HA PHE 21 2.662 0.283 -4.010 120 HB2 PHE 21 HB2 PHE 21 3.991 -0.192 -1.988 121 HB3 PHE 21 HB3 PHE 21 4.569 1.431 -1.922 122 HD1 PHE 21 HD2 PHE 21 2.728 3.333 -1.659 123 HD2 PHE 21 HD1 PHE 21 2.034 -0.833 -0.834 124 HE1 PHE 21 HE2 PHE 21 0.808 3.939 -0.221 125 HE2 PHE 21 HE1 PHE 21 0.110 -0.219 0.595 126 HZ PHE 21 HZ PHE 21 -0.511 2.162 0.900 127 H THR 22 H THR 22 5.022 2.906 -3.767 128 HA THR 22 HA THR 22 3.113 5.070 -4.092 129 HB THR 22 HB THR 22 5.999 5.282 -4.890 130 HG1 THR 22 HG1 THR 22 6.185 4.212 -2.969 131 HG21 THR 22 HG21 THR 22 5.783 7.470 -3.672 132 HG22 THR 22 HG22 THR 22 4.636 7.324 -5.022 133 HG23 THR 22 HG23 THR 22 4.080 7.082 -3.353 134 H SER 23 H SER 23 4.323 2.736 -6.300 135 HA SER 23 HA SER 23 4.139 4.495 -8.614 136 HB2 SER 23 HB2 SER 23 4.305 1.499 -8.295 137 HB3 SER 23 HB3 SER 23 4.192 2.285 -9.876 138 HG SER 23 HG SER 23 6.260 2.648 -7.973 139 H LEU 24 H LEU 24 1.994 2.722 -6.574 140 HA LEU 24 HA LEU 24 -0.172 2.698 -8.626 141 HB2 LEU 24 HB2 LEU 24 0.312 1.029 -6.124 142 HB3 LEU 24 HB3 LEU 24 -1.160 0.974 -7.108 143 HG LEU 24 HG LEU 24 1.649 0.362 -8.145 144 HD11 LEU 24 HD11 LEU 24 -0.639 -1.505 -7.396 145 HD12 LEU 24 HD12 LEU 24 0.886 -1.988 -8.170 146 HD13 LEU 24 HD13 LEU 24 0.905 -1.324 -6.523 147 HD21 LEU 24 HD21 LEU 24 -1.105 -0.021 -9.392 148 HD22 LEU 24 HD22 LEU 24 0.134 1.139 -9.923 149 HD23 LEU 24 HD23 LEU 24 0.426 -0.603 -10.081 150 H THR 25 H THR 25 0.909 4.051 -5.622 151 HA THR 25 HA THR 25 -1.655 5.531 -5.500 152 HB THR 25 HB THR 25 -1.394 5.700 -3.043 153 HG1 THR 25 HG1 THR 25 0.618 3.748 -3.444 154 HG21 THR 25 HG21 THR 25 -1.515 2.851 -4.115 155 HG22 THR 25 HG22 THR 25 -2.078 3.377 -2.507 156 HG23 THR 25 HG23 THR 25 -2.886 3.977 -3.970 157 H LYS 26 H LYS 26 -1.400 7.776 -4.978 158 HA LYS 26 HA LYS 26 1.315 8.712 -5.706 159 HB2 LYS 26 HB2 LYS 26 -1.342 10.163 -5.900 160 HB3 LYS 26 HB3 LYS 26 0.226 10.752 -6.480 161 HG2 LYS 26 HG2 LYS 26 -1.329 8.333 -7.490 162 HG3 LYS 26 HG3 LYS 26 -1.037 9.845 -8.349 163 HD2 LYS 26 HD2 LYS 26 1.067 7.776 -7.574 164 HD3 LYS 26 HD3 LYS 26 0.441 8.090 -9.199 165 HE2 LYS 26 HE2 LYS 26 1.338 10.401 -9.102 166 HE3 LYS 26 HE3 LYS 26 1.964 10.090 -7.475 167 HZ1 LYS 26 HZ1 LYS 26 3.350 8.361 -8.406 168 HZ2 LYS 26 HZ2 LYS 26 2.766 8.661 -9.918 169 HZ3 LYS 26 HZ3 LYS 26 3.658 9.798 -9.139 170 H CYS 27 H CYS 27 0.547 7.920 -2.966 171 HA CYS 27 HA CYS 27 0.649 10.411 -1.441 172 HB2 CYS 27 HB2 CYS 27 -0.431 8.197 -0.735 173 HB3 CYS 27 HB3 CYS 27 1.225 7.606 -0.444 174 HG CYS 27 HG CYS 27 -0.288 10.292 0.761 175 H ASP 28 H ASP 28 2.547 9.983 0.449 176 HA ASP 28 HA ASP 28 5.026 10.422 -1.063 177 HB2 ASP 28 HB2 ASP 28 4.204 11.914 0.782 178 HB3 ASP 28 HB3 ASP 28 4.538 10.604 1.925 179 HA PRO 29 HA PRO 29 6.555 6.324 -0.594 180 HB2 PRO 29 HB2 PRO 29 9.159 7.661 0.167 181 HB3 PRO 29 HB3 PRO 29 8.899 6.325 -0.982 182 HG2 PRO 29 HG2 PRO 29 9.263 8.843 -1.925 183 HG3 PRO 29 HG3 PRO 29 7.857 7.911 -2.567 184 HD2 PRO 29 HD2 PRO 29 7.908 9.890 -0.260 185 HD3 PRO 29 HD3 PRO 29 6.810 9.915 -1.667 186 H LYS 30 H LYS 30 7.268 8.725 1.910 187 HA LYS 30 HA LYS 30 8.256 6.903 3.851 188 HB2 LYS 30 HB2 LYS 30 7.188 9.719 3.867 189 HB3 LYS 30 HB3 LYS 30 7.860 8.917 5.327 190 HG2 LYS 30 HG2 LYS 30 9.933 8.396 3.964 191 HG3 LYS 30 HG3 LYS 30 9.270 9.419 2.654 192 HD2 LYS 30 HD2 LYS 30 9.102 11.303 4.213 193 HD3 LYS 30 HD3 LYS 30 9.711 10.249 5.518 194 HE2 LYS 30 HE2 LYS 30 11.837 9.950 4.263 195 HE3 LYS 30 HE3 LYS 30 11.231 10.994 2.967 196 HZ1 LYS 30 HZ1 LYS 30 11.697 11.828 5.751 197 HZ2 LYS 30 HZ2 LYS 30 12.649 12.194 4.466 198 HZ3 LYS 30 HZ3 LYS 30 11.117 12.789 4.551 199 H VAL 31 H VAL 31 5.049 7.741 2.733 200 HA VAL 31 HA VAL 31 3.693 6.723 5.154 201 HB VAL 31 HB VAL 31 2.651 7.735 2.479 202 HG11 VAL 31 HG11 VAL 31 1.212 6.992 5.060 203 HG12 VAL 31 HG12 VAL 31 0.468 7.862 3.691 204 HG13 VAL 31 HG13 VAL 31 1.031 6.199 3.476 205 HG21 VAL 31 HG21 VAL 31 2.764 9.003 5.250 206 HG22 VAL 31 HG22 VAL 31 3.750 9.479 3.850 207 HG23 VAL 31 HG23 VAL 31 1.987 9.710 3.821 208 H SER 32 H SER 32 4.841 5.605 1.994 209 HA SER 32 HA SER 32 3.147 3.283 1.877 210 HB2 SER 32 HB2 SER 32 5.938 3.528 0.701 211 HB3 SER 32 HB3 SER 32 4.577 2.550 0.128 212 HG SER 32 HG SER 32 4.890 4.536 -1.049 213 H ARG 33 H ARG 33 6.298 4.026 3.397 214 HA ARG 33 HA ARG 33 6.956 1.401 4.296 215 HB2 ARG 33 HB2 ARG 33 8.610 3.119 4.405 216 HB3 ARG 33 HB3 ARG 33 7.517 4.234 5.229 217 HG2 ARG 33 HG2 ARG 33 7.592 2.917 7.275 218 HG3 ARG 33 HG3 ARG 33 8.593 1.678 6.495 219 HD2 ARG 33 HD2 ARG 33 9.394 4.603 6.759 220 HD3 ARG 33 HD3 ARG 33 9.850 3.347 7.919 221 HE ARG 33 HE ARG 33 10.876 2.162 5.878 222 HH11 ARG 33 HH11 ARG 33 10.746 5.693 6.159 223 HH12 ARG 33 HH12 ARG 33 12.171 5.916 5.169 224 HH21 ARG 33 HH21 ARG 33 12.692 2.482 4.677 225 HH22 ARG 33 HH22 ARG 33 13.279 4.099 4.316 226 H LYS 34 H LYS 34 4.765 3.895 5.510 227 HA LYS 34 HA LYS 34 4.380 2.646 8.107 228 HB2 LYS 34 HB2 LYS 34 4.289 5.035 7.917 229 HB3 LYS 34 HB3 LYS 34 3.154 4.961 6.566 230 HG2 LYS 34 HG2 LYS 34 1.381 4.136 8.022 231 HG3 LYS 34 HG3 LYS 34 2.495 4.132 9.416 232 HD2 LYS 34 HD2 LYS 34 2.746 6.536 9.310 233 HD3 LYS 34 HD3 LYS 34 1.954 6.603 7.724 234 HE2 LYS 34 HE2 LYS 34 0.424 7.363 9.476 235 HE3 LYS 34 HE3 LYS 34 -0.157 5.880 8.702 236 HZ1 LYS 34 HZ1 LYS 34 0.690 4.643 10.576 237 HZ2 LYS 34 HZ2 LYS 34 1.262 6.015 11.281 238 HZ3 LYS 34 HZ3 LYS 34 -0.353 5.798 11.102 239 H TYR 35 H TYR 35 2.791 2.452 4.939 240 HA TYR 35 HA TYR 35 0.578 0.926 6.180 241 HB2 TYR 35 HB2 TYR 35 0.990 2.259 3.528 242 HB3 TYR 35 HB3 TYR 35 -0.138 0.904 3.647 243 HD1 TYR 35 HD2 TYR 35 -2.147 0.993 4.984 244 HD2 TYR 35 HD1 TYR 35 0.474 4.392 4.685 245 HE1 TYR 35 HE2 TYR 35 -3.910 2.432 5.962 246 HE2 TYR 35 HE1 TYR 35 -1.301 5.846 5.636 247 HH TYR 35 HH TYR 35 -3.431 5.945 6.491 248 H LEU 36 H LEU 36 3.673 0.266 4.950 249 HA LEU 36 HA LEU 36 2.879 -2.501 4.204 250 HB2 LEU 36 HB2 LEU 36 5.446 -0.871 4.074 251 HB3 LEU 36 HB3 LEU 36 5.433 -2.609 3.771 252 HG LEU 36 HG LEU 36 3.647 -0.687 2.227 253 HD11 LEU 36 HD11 LEU 36 6.031 -0.060 1.903 254 HD12 LEU 36 HD12 LEU 36 6.405 -1.747 1.493 255 HD13 LEU 36 HD13 LEU 36 5.340 -0.789 0.436 256 HD21 LEU 36 HD21 LEU 36 3.068 -3.132 2.201 257 HD22 LEU 36 HD22 LEU 36 3.580 -2.530 0.609 258 HD23 LEU 36 HD23 LEU 36 4.705 -3.482 1.601 259 H GLN 37 H GLN 37 3.680 -0.668 6.925 260 HA GLN 37 HA GLN 37 5.199 -2.767 8.294 261 HB2 GLN 37 HB2 GLN 37 4.899 0.098 8.450 262 HB3 GLN 37 HB3 GLN 37 4.616 -0.616 10.062 263 HG2 GLN 37 HG2 GLN 37 6.751 -1.689 10.043 264 HG3 GLN 37 HG3 GLN 37 6.880 -1.519 8.286 265 HE21 GLN 37 HE22 GLN 37 9.071 -0.785 9.008 266 HE22 GLN 37 HE21 GLN 37 9.244 0.954 9.105 267 H ARG 38 H ARG 38 1.984 -2.305 7.696 268 HA ARG 38 HA ARG 38 1.212 -3.624 10.271 269 HB2 ARG 38 HB2 ARG 38 -0.886 -2.385 8.566 270 HB3 ARG 38 HB3 ARG 38 -0.768 -2.450 10.315 271 HG2 ARG 38 HG2 ARG 38 0.769 -0.579 8.460 272 HG3 ARG 38 HG3 ARG 38 -0.654 -0.150 9.404 273 HD2 ARG 38 HD2 ARG 38 2.024 -0.999 10.579 274 HD3 ARG 38 HD3 ARG 38 1.387 0.649 10.509 275 HE ARG 38 HE ARG 38 -0.412 -0.026 12.028 276 HH11 ARG 38 HH11 ARG 38 2.361 -2.234 11.817 277 HH12 ARG 38 HH12 ARG 38 2.040 -2.944 13.376 278 HH21 ARG 38 HH21 ARG 38 -0.794 -0.987 14.037 279 HH22 ARG 38 HH22 ARG 38 0.263 -2.253 14.621 280 H ASN 39 H ASN 39 2.001 -4.327 7.182 281 HA ASN 39 HA ASN 39 -0.125 -6.349 6.823 282 HB2 ASN 39 HB2 ASN 39 0.719 -4.230 4.805 283 HB3 ASN 39 HB3 ASN 39 -0.453 -5.506 4.491 284 HD21 ASN 39 HD22 ASN 39 0.047 -2.341 5.633 285 HD22 ASN 39 HD21 ASN 39 -1.474 -2.038 6.420 286 H HIS 40 H HIS 40 2.633 -6.667 7.601 287 HA HIS 40 HA HIS 40 4.362 -8.053 7.159 288 HB2 HIS 40 HB2 HIS 40 2.607 -9.421 5.117 289 HB3 HIS 40 HB3 HIS 40 3.838 -10.135 6.158 290 HD2 HIS 40 HD2 HIS 40 2.506 -8.500 8.840 291 HE1 HIS 40 HE1 HIS 40 -0.696 -11.212 8.145 292 HE2 HIS 40 HE2 HIS 40 0.364 -9.627 9.840 293 H TRP 41 H TRP 41 4.130 -5.613 5.517 294 HA TRP 41 HA TRP 41 5.083 -4.599 3.784 295 HB2 TRP 41 HB2 TRP 41 7.176 -6.669 4.453 296 HB3 TRP 41 HB3 TRP 41 7.415 -5.468 3.195 297 HD1 TRP 41 HD1 TRP 41 6.832 -5.625 6.976 298 HE1 TRP 41 HE1 TRP 41 7.579 -3.400 8.017 299 HE3 TRP 41 HE3 TRP 41 8.049 -3.228 2.733 300 HZ2 TRP 41 HZ2 TRP 41 8.317 -0.722 7.024 301 HZ3 TRP 41 HZ3 TRP 41 8.849 -0.851 2.754 302 HH2 TRP 41 HH2 TRP 41 8.992 0.385 4.886 303 H ASN 42 H ASN 42 3.047 -6.481 3.005 304 HA ASN 42 HA ASN 42 3.968 -6.970 0.212 305 HB2 ASN 42 HB2 ASN 42 1.702 -8.077 1.938 306 HB3 ASN 42 HB3 ASN 42 1.618 -8.106 0.183 307 HD21 ASN 42 HD22 ASN 42 1.436 -10.481 0.762 308 HD22 ASN 42 HD21 ASN 42 2.944 -11.375 0.746 309 H ILE 43 H ILE 43 3.331 -5.734 -1.351 310 HA ILE 43 HA ILE 43 1.733 -3.394 -0.899 311 HB ILE 43 HB ILE 43 2.693 -4.874 -3.379 312 HG12 ILE 43 HG12 ILE 43 3.628 -2.389 -1.882 313 HG13 ILE 43 HG13 ILE 43 4.471 -3.903 -1.994 314 HG21 ILE 43 HG21 ILE 43 0.652 -3.616 -3.929 315 HG22 ILE 43 HG22 ILE 43 1.372 -2.140 -3.221 316 HG23 ILE 43 HG23 ILE 43 2.068 -2.891 -4.678 317 HD11 ILE 43 HD11 ILE 43 4.599 -3.657 -4.496 318 HD12 ILE 43 HD12 ILE 43 3.923 -2.018 -4.321 319 HD13 ILE 43 HD13 ILE 43 5.493 -2.420 -3.597 320 H ASN 44 H ASN 44 0.985 -6.748 -1.713 321 HA ASN 44 HA ASN 44 -1.613 -5.997 -2.821 322 HB2 ASN 44 HB2 ASN 44 -0.334 -8.700 -2.237 323 HB3 ASN 44 HB3 ASN 44 -1.866 -8.481 -3.090 324 HD21 ASN 44 HD22 ASN 44 0.722 -9.670 -4.003 325 HD22 ASN 44 HD21 ASN 44 1.140 -8.782 -5.457 326 H TYR 45 H TYR 45 -0.474 -6.081 0.219 327 HA TYR 45 HA TYR 45 -3.123 -6.776 1.396 328 HB2 TYR 45 HB2 TYR 45 -0.293 -7.503 2.183 329 HB3 TYR 45 HB3 TYR 45 -1.544 -7.440 3.397 330 HD1 TYR 45 HD1 TYR 45 -3.464 -8.998 3.336 331 HD2 TYR 45 HD2 TYR 45 -0.265 -9.271 0.480 332 HE1 TYR 45 HE1 TYR 45 -4.202 -11.294 2.746 333 HE2 TYR 45 HE2 TYR 45 -0.996 -11.567 -0.122 334 HH TYR 45 HH TYR 45 -3.814 -13.145 1.433 335 H ALA 46 H ALA 46 -0.878 -4.401 0.687 336 HA ALA 46 HA ALA 46 -1.427 -2.828 3.160 337 HB1 ALA 46 HB1 ALA 46 0.741 -2.707 1.040 338 HB2 ALA 46 HB2 ALA 46 0.579 -1.540 2.381 339 HB3 ALA 46 HB3 ALA 46 0.915 -3.252 2.732 340 H LEU 47 H LEU 47 -1.786 -2.877 -0.400 341 HA LEU 47 HA LEU 47 -2.516 -0.092 -0.588 342 HB2 LEU 47 HB2 LEU 47 -3.062 -2.517 -2.350 343 HB3 LEU 47 HB3 LEU 47 -3.539 -0.864 -2.775 344 HG LEU 47 HG LEU 47 -0.676 -1.678 -2.187 345 HD11 LEU 47 HD11 LEU 47 -0.362 -1.551 -4.635 346 HD12 LEU 47 HD12 LEU 47 -1.517 -2.828 -4.195 347 HD13 LEU 47 HD13 LEU 47 -2.106 -1.281 -4.852 348 HD21 LEU 47 HD21 LEU 47 -1.881 0.796 -3.485 349 HD22 LEU 47 HD22 LEU 47 -1.135 0.734 -1.867 350 HD23 LEU 47 HD23 LEU 47 -0.142 0.460 -3.304 351 H ASN 48 H ASN 48 -4.252 -3.094 0.165 352 HA ASN 48 HA ASN 48 -6.896 -2.020 -0.074 353 HB2 ASN 48 HB2 ASN 48 -5.987 -4.204 1.837 354 HB3 ASN 48 HB3 ASN 48 -7.581 -4.020 1.075 355 HD21 ASN 48 HD22 ASN 48 -4.212 -4.907 0.698 356 HD22 ASN 48 HD21 ASN 48 -4.340 -5.650 -0.884 357 H ASP 49 H ASP 49 -4.480 -2.158 2.505 358 HA ASP 49 HA ASP 49 -6.131 -1.082 4.609 359 HB2 ASP 49 HB2 ASP 49 -3.845 -2.325 4.692 360 HB3 ASP 49 HB3 ASP 49 -3.114 -0.782 4.280 361 H TYR 50 H TYR 50 -4.272 0.345 1.989 362 HA TYR 50 HA TYR 50 -4.563 3.084 2.974 363 HB2 TYR 50 HB2 TYR 50 -2.639 2.291 1.646 364 HB3 TYR 50 HB3 TYR 50 -3.705 1.946 0.289 365 HD1 TYR 50 HD2 TYR 50 -2.113 4.628 2.286 366 HD2 TYR 50 HD1 TYR 50 -4.602 3.704 -1.101 367 HE1 TYR 50 HE2 TYR 50 -1.824 6.945 1.443 368 HE2 TYR 50 HE1 TYR 50 -4.339 6.028 -1.937 369 HH TYR 50 HH TYR 50 -3.401 8.092 -1.569 370 H TYR 51 H TYR 51 -6.214 0.892 0.728 371 HA TYR 51 HA TYR 51 -7.999 2.945 -0.290 372 HB2 TYR 51 HB2 TYR 51 -8.131 -0.090 -0.448 373 HB3 TYR 51 HB3 TYR 51 -9.148 1.022 -1.362 374 HD1 TYR 51 HD2 TYR 51 -6.997 3.108 -1.993 375 HD2 TYR 51 HD1 TYR 51 -7.027 -1.189 -2.276 376 HE1 TYR 51 HE2 TYR 51 -5.316 3.228 -3.782 377 HE2 TYR 51 HE1 TYR 51 -5.340 -1.077 -4.089 378 HH TYR 51 HH TYR 51 -4.068 0.288 -5.434 379 H ASP 52 H ASP 52 -7.796 1.390 2.690 380 HA ASP 52 HA ASP 52 -10.723 1.509 3.176 381 HB2 ASP 52 HB2 ASP 52 -8.318 0.391 4.672 382 HB3 ASP 52 HB3 ASP 52 -9.906 0.516 5.397 383 H LYS 53 H LYS 53 -7.680 3.157 3.809 384 HA LYS 53 HA LYS 53 -8.996 4.757 5.968 385 HB2 LYS 53 HB2 LYS 53 -6.170 3.695 5.765 386 HB3 LYS 53 HB3 LYS 53 -6.758 4.784 7.035 387 HG2 LYS 53 HG2 LYS 53 -8.418 3.141 7.763 388 HG3 LYS 53 HG3 LYS 53 -7.965 2.047 6.435 389 HD2 LYS 53 HD2 LYS 53 -5.678 1.927 7.287 390 HD3 LYS 53 HD3 LYS 53 -6.127 2.983 8.655 391 HE2 LYS 53 HE2 LYS 53 -7.692 1.331 9.502 392 HE3 LYS 53 HE3 LYS 53 -7.540 0.358 8.028 393 HZ1 LYS 53 HZ1 LYS 53 -5.291 -0.096 8.582 394 HZ2 LYS 53 HZ2 LYS 53 -5.359 0.823 9.949 395 HZ3 LYS 53 HZ3 LYS 53 -6.258 -0.550 9.831 396 H GLU 54 H GLU 54 -7.458 4.965 2.888 397 HA GLU 54 HA GLU 54 -7.122 7.891 3.261 398 HB2 GLU 54 HB2 GLU 54 -5.132 6.021 1.923 399 HB3 GLU 54 HB3 GLU 54 -5.018 7.783 1.937 400 HG2 GLU 54 HG2 GLU 54 -4.943 6.009 4.407 401 HG3 GLU 54 HG3 GLU 54 -3.536 6.720 3.610 402 H ILE 55 H ILE 55 -8.937 5.718 1.745 403 HA ILE 55 HA ILE 55 -8.466 6.189 -1.009 404 HB ILE 55 HB ILE 55 -9.682 4.278 -0.086 405 HG12 ILE 55 HG12 ILE 55 -11.361 5.928 -2.006 406 HG13 ILE 55 HG13 ILE 55 -9.905 5.017 -2.455 407 HG21 ILE 55 HG21 ILE 55 -10.965 5.484 1.678 408 HG22 ILE 55 HG22 ILE 55 -11.952 6.253 0.415 409 HG23 ILE 55 HG23 ILE 55 -12.015 4.495 0.656 410 HD11 ILE 55 HD11 ILE 55 -12.476 3.830 -1.313 411 HD12 ILE 55 HD12 ILE 55 -11.918 3.729 -2.992 412 HD13 ILE 55 HD13 ILE 55 -10.999 2.913 -1.708 413 H GLY 56 H GLY 56 -9.562 7.532 -2.521 414 HA2 GLY 56 HA2 GLY 56 -10.105 10.186 -1.458 415 HA3 GLY 56 HA3 GLY 56 -10.018 9.701 -3.157 416 H THR 57 H THR 57 -12.139 7.485 -2.038 417 HA THR 57 HA THR 57 -14.514 9.185 -1.841 418 HB THR 57 HB THR 57 -14.068 9.122 -4.275 419 HG1 THR 57 HG1 THR 57 -16.141 8.349 -4.806 420 HG21 THR 57 HG21 THR 57 -12.928 6.912 -4.382 421 HG22 THR 57 HG22 THR 57 -14.470 6.107 -4.005 422 HG23 THR 57 HG23 THR 57 -14.281 7.017 -5.520 423 H PHE 58 H PHE 58 -16.503 7.880 -1.554 424 HA PHE 58 HA PHE 58 -15.935 5.186 -0.438 425 HB2 PHE 58 HB2 PHE 58 -17.615 7.415 0.754 426 HB3 PHE 58 HB3 PHE 58 -17.514 5.765 1.381 427 HD1 PHE 58 HD1 PHE 58 -15.375 4.892 2.283 428 HD2 PHE 58 HD2 PHE 58 -15.832 8.991 1.089 429 HE1 PHE 58 HE1 PHE 58 -13.302 5.466 3.502 430 HE2 PHE 58 HE2 PHE 58 -13.757 9.586 2.333 431 HZ PHE 58 HZ PHE 58 -12.485 7.819 3.540 432 H THR 59 H THR 59 -17.411 6.789 -2.822 433 HA THR 59 HA THR 59 -19.670 4.854 -3.013 434 HB THR 59 HB THR 59 -21.099 6.624 -3.924 435 HG1 THR 59 HG1 THR 59 -20.442 8.772 -3.680 436 HG21 THR 59 HG21 THR 59 -21.204 6.053 -1.506 437 HG22 THR 59 HG22 THR 59 -20.023 7.337 -1.160 438 HG23 THR 59 HG23 THR 59 -21.622 7.753 -1.816 439 H ASP 60 H ASP 60 -20.560 4.772 -5.273 440 HA ASP 60 HA ASP 60 -18.396 5.169 -7.279 441 HB2 ASP 60 HB2 ASP 60 -20.348 2.862 -6.982 442 HB3 ASP 60 HB3 ASP 60 -19.234 3.083 -8.337 443 H GLU 61 H GLU 61 -21.159 6.519 -6.349 444 HA GLU 61 HA GLU 61 -21.822 7.295 -9.100 445 HB2 GLU 61 HB2 GLU 61 -24.227 6.888 -8.793 446 HB3 GLU 61 HB3 GLU 61 -23.314 5.375 -8.678 447 HG2 GLU 61 HG2 GLU 61 -23.412 5.523 -6.203 448 HG3 GLU 61 HG3 GLU 61 -24.347 7.022 -6.331 449 H VAL 62 H VAL 62 -23.327 9.170 -9.138 450 HA VAL 62 HA VAL 62 -23.280 10.803 -6.653 451 HB VAL 62 HB VAL 62 -22.360 11.734 -9.403 452 HG11 VAL 62 HG11 VAL 62 -22.569 13.189 -6.731 453 HG12 VAL 62 HG12 VAL 62 -21.859 13.856 -8.218 454 HG13 VAL 62 HG13 VAL 62 -23.592 13.478 -8.160 455 HG21 VAL 62 HG21 VAL 62 -20.625 10.391 -8.272 456 HG22 VAL 62 HG22 VAL 62 -20.184 12.109 -8.256 457 HG23 VAL 62 HG23 VAL 62 -20.836 11.352 -6.788 Start of MODEL 8 1 HA ILE 6 HA ILE 6 15.996 -6.697 -5.665 2 HB ILE 6 HB ILE 6 14.423 -7.678 -4.189 3 HG12 ILE 6 HG12 ILE 6 15.753 -9.331 -3.006 4 HG13 ILE 6 HG13 ILE 6 14.270 -10.025 -3.653 5 HG21 ILE 6 HG21 ILE 6 13.267 -9.188 -5.748 6 HG22 ILE 6 HG22 ILE 6 13.978 -7.791 -6.585 7 HG23 ILE 6 HG23 ILE 6 14.759 -9.383 -6.690 8 HD11 ILE 6 HD11 ILE 6 17.075 -10.414 -4.767 9 HD12 ILE 6 HD12 ILE 6 16.067 -11.603 -3.934 10 HD13 ILE 6 HD13 ILE 6 15.579 -11.020 -5.539 11 H LYS 7 H LYS 7 18.843 -7.875 -4.901 12 HA LYS 7 HA LYS 7 18.870 -6.651 -2.190 13 HB2 LYS 7 HB2 LYS 7 20.391 -9.130 -3.093 14 HB3 LYS 7 HB3 LYS 7 20.559 -8.322 -1.523 15 HG2 LYS 7 HG2 LYS 7 18.166 -8.753 -1.038 16 HG3 LYS 7 HG3 LYS 7 17.995 -9.571 -2.604 17 HD2 LYS 7 HD2 LYS 7 19.695 -11.240 -1.927 18 HD3 LYS 7 HD3 LYS 7 19.870 -10.417 -0.358 19 HE2 LYS 7 HE2 LYS 7 17.470 -10.833 0.118 20 HE3 LYS 7 HE3 LYS 7 17.299 -11.645 -1.447 21 HZ1 LYS 7 HZ1 LYS 7 17.624 -13.212 0.331 22 HZ2 LYS 7 HZ2 LYS 7 18.910 -13.272 -0.696 23 HZ3 LYS 7 HZ3 LYS 7 19.052 -12.518 0.756 24 H ARG 8 H ARG 8 19.276 -5.290 -4.597 25 HA ARG 8 HA ARG 8 21.970 -5.161 -5.462 26 HB2 ARG 8 HB2 ARG 8 19.856 -2.967 -5.527 27 HB3 ARG 8 HB3 ARG 8 21.293 -3.101 -6.572 28 HG2 ARG 8 HG2 ARG 8 20.427 -5.225 -7.471 29 HG3 ARG 8 HG3 ARG 8 18.974 -5.020 -6.472 30 HD2 ARG 8 HD2 ARG 8 19.923 -3.133 -8.673 31 HD3 ARG 8 HD3 ARG 8 18.582 -4.272 -8.802 32 HE ARG 8 HE ARG 8 18.570 -1.661 -7.538 33 HH11 ARG 8 HH11 ARG 8 17.025 -4.853 -7.445 34 HH12 ARG 8 HH12 ARG 8 15.549 -4.233 -6.744 35 HH21 ARG 8 HH21 ARG 8 16.613 -0.902 -6.653 36 HH22 ARG 8 HH22 ARG 8 15.333 -2.033 -6.278 37 H LYS 9 H LYS 9 23.507 -3.406 -5.185 38 HA LYS 9 HA LYS 9 23.869 -2.823 -2.353 39 HB2 LYS 9 HB2 LYS 9 26.079 -2.118 -2.960 40 HB3 LYS 9 HB3 LYS 9 25.693 -3.688 -3.678 41 HG2 LYS 9 HG2 LYS 9 25.245 -2.610 -5.860 42 HG3 LYS 9 HG3 LYS 9 25.579 -1.012 -5.140 43 HD2 LYS 9 HD2 LYS 9 27.828 -1.792 -4.483 44 HD3 LYS 9 HD3 LYS 9 27.476 -3.385 -5.175 45 HE2 LYS 9 HE2 LYS 9 28.825 -2.108 -6.765 46 HE3 LYS 9 HE3 LYS 9 27.207 -2.352 -7.425 47 HZ1 LYS 9 HZ1 LYS 9 27.969 -0.094 -7.709 48 HZ2 LYS 9 HZ2 LYS 9 26.656 -0.114 -6.728 49 HZ3 LYS 9 HZ3 LYS 9 28.150 0.098 -6.081 50 H ASP 10 H ASP 10 21.847 -1.352 -4.231 51 HA ASP 10 HA ASP 10 22.419 1.283 -3.036 52 HB2 ASP 10 HB2 ASP 10 21.928 2.448 -5.095 53 HB3 ASP 10 HB3 ASP 10 23.207 1.254 -5.395 54 H ALA 11 H ALA 11 20.559 -1.145 -2.788 55 HA ALA 11 HA ALA 11 18.028 0.401 -2.528 56 HB1 ALA 11 HB1 ALA 11 17.973 -0.845 -4.666 57 HB2 ALA 11 HB2 ALA 11 18.287 -2.358 -3.791 58 HB3 ALA 11 HB3 ALA 11 16.772 -1.467 -3.511 59 H SER 12 H SER 12 16.340 -1.091 -1.380 60 HA SER 12 HA SER 12 17.568 -2.748 0.747 61 HB2 SER 12 HB2 SER 12 16.657 -1.442 2.494 62 HB3 SER 12 HB3 SER 12 17.272 -0.238 1.367 63 HG SER 12 HG SER 12 15.147 0.220 2.050 64 HA PRO 13 HA PRO 13 14.012 -5.253 0.035 65 HB2 PRO 13 HB2 PRO 13 12.990 -5.935 2.470 66 HB3 PRO 13 HB3 PRO 13 14.643 -6.471 1.976 67 HG2 PRO 13 HG2 PRO 13 13.931 -3.990 3.595 68 HG3 PRO 13 HG3 PRO 13 15.055 -5.314 4.074 69 HD2 PRO 13 HD2 PRO 13 16.036 -3.117 2.902 70 HD3 PRO 13 HD3 PRO 13 16.597 -4.714 2.310 71 H GLU 14 H GLU 14 13.625 -2.543 2.230 72 HA GLU 14 HA GLU 14 10.735 -2.422 2.051 73 HB2 GLU 14 HB2 GLU 14 12.827 -0.366 2.890 74 HB3 GLU 14 HB3 GLU 14 11.068 -0.200 3.097 75 HG2 GLU 14 HG2 GLU 14 11.041 -2.221 4.530 76 HG3 GLU 14 HG3 GLU 14 12.805 -2.329 4.371 77 H GLN 15 H GLN 15 13.507 -0.871 0.358 78 HA GLN 15 HA GLN 15 12.005 1.021 -1.081 79 HB2 GLN 15 HB2 GLN 15 14.572 0.679 -0.686 80 HB3 GLN 15 HB3 GLN 15 14.514 -0.340 -2.124 81 HG2 GLN 15 HG2 GLN 15 15.112 1.985 -2.686 82 HG3 GLN 15 HG3 GLN 15 13.539 1.572 -3.402 83 HE21 GLN 15 HE21 GLN 15 14.483 2.458 -0.042 84 HE22 GLN 15 HE22 GLN 15 13.382 3.815 0.098 85 H GLU 16 H GLU 16 12.480 -2.450 -1.617 86 HA GLU 16 HA GLU 16 11.678 -2.367 -4.411 87 HB2 GLU 16 HB2 GLU 16 11.810 -4.638 -2.382 88 HB3 GLU 16 HB3 GLU 16 11.525 -4.847 -4.122 89 HG2 GLU 16 HG2 GLU 16 14.002 -3.529 -2.936 90 HG3 GLU 16 HG3 GLU 16 13.890 -5.233 -3.375 91 H ALA 17 H ALA 17 10.024 -2.496 -1.339 92 HA ALA 17 HA ALA 17 7.446 -3.142 -2.668 93 HB1 ALA 17 HB1 ALA 17 8.177 -2.790 0.265 94 HB2 ALA 17 HB2 ALA 17 6.600 -3.320 -0.363 95 HB3 ALA 17 HB3 ALA 17 8.039 -4.339 -0.600 96 H ILE 18 H ILE 18 9.235 -0.424 -1.319 97 HA ILE 18 HA ILE 18 6.862 1.223 -0.952 98 HB ILE 18 HB ILE 18 9.848 1.672 -0.742 99 HG12 ILE 18 HG12 ILE 18 7.621 1.866 1.330 100 HG13 ILE 18 HG13 ILE 18 8.513 0.379 1.018 101 HG21 ILE 18 HG21 ILE 18 7.629 3.718 -0.335 102 HG22 ILE 18 HG22 ILE 18 9.332 3.945 0.147 103 HG23 ILE 18 HG23 ILE 18 8.912 3.783 -1.562 104 HD11 ILE 18 HD11 ILE 18 9.516 1.499 2.924 105 HD12 ILE 18 HD12 ILE 18 10.648 1.571 1.564 106 HD13 ILE 18 HD13 ILE 18 9.689 3.011 2.009 107 H GLU 19 H GLU 19 9.307 0.781 -3.563 108 HA GLU 19 HA GLU 19 8.517 3.226 -4.884 109 HB2 GLU 19 HB2 GLU 19 9.996 0.748 -5.834 110 HB3 GLU 19 HB3 GLU 19 9.654 2.142 -6.877 111 HG2 GLU 19 HG2 GLU 19 10.784 3.637 -5.250 112 HG3 GLU 19 HG3 GLU 19 11.237 2.229 -4.278 113 H SER 20 H SER 20 7.317 -0.155 -4.998 114 HA SER 20 HA SER 20 5.650 0.307 -7.322 115 HB2 SER 20 HB2 SER 20 5.740 -1.854 -5.174 116 HB3 SER 20 HB3 SER 20 4.767 -1.921 -6.656 117 HG SER 20 HG SER 20 6.819 -2.975 -6.858 118 H PHE 21 H PHE 21 5.364 0.842 -3.863 119 HA PHE 21 HA PHE 21 2.464 0.890 -3.779 120 HB2 PHE 21 HB2 PHE 21 4.116 0.537 -1.859 121 HB3 PHE 21 HB3 PHE 21 4.537 2.203 -1.981 122 HD1 PHE 21 HD2 PHE 21 2.578 3.959 -1.710 123 HD2 PHE 21 HD1 PHE 21 2.357 -0.136 -0.409 124 HE1 PHE 21 HE2 PHE 21 0.666 4.521 -0.235 125 HE2 PHE 21 HE1 PHE 21 0.466 0.433 1.067 126 HZ PHE 21 HZ PHE 21 -0.404 2.753 1.143 127 H THR 22 H THR 22 5.072 3.292 -3.970 128 HA THR 22 HA THR 22 3.320 5.592 -4.246 129 HB THR 22 HB THR 22 6.148 5.569 -5.242 130 HG1 THR 22 HG1 THR 22 6.332 4.392 -3.329 131 HG21 THR 22 HG21 THR 22 4.602 7.450 -3.405 132 HG22 THR 22 HG22 THR 22 6.231 7.739 -4.035 133 HG23 THR 22 HG23 THR 22 4.845 7.690 -5.155 134 H SER 23 H SER 23 4.123 3.071 -6.378 135 HA SER 23 HA SER 23 4.011 4.764 -8.776 136 HB2 SER 23 HB2 SER 23 4.188 1.786 -8.334 137 HB3 SER 23 HB3 SER 23 4.106 2.518 -9.946 138 HG SER 23 HG SER 23 6.127 2.888 -8.001 139 H LEU 24 H LEU 24 1.898 3.038 -6.658 140 HA LEU 24 HA LEU 24 -0.301 3.018 -8.674 141 HB2 LEU 24 HB2 LEU 24 0.253 1.314 -6.211 142 HB3 LEU 24 HB3 LEU 24 -1.269 1.296 -7.114 143 HG LEU 24 HG LEU 24 1.472 0.656 -8.314 144 HD11 LEU 24 HD11 LEU 24 -0.793 -1.187 -7.448 145 HD12 LEU 24 HD12 LEU 24 0.679 -1.687 -8.314 146 HD13 LEU 24 HD13 LEU 24 0.803 -1.034 -6.672 147 HD21 LEU 24 HD21 LEU 24 -0.127 1.471 -9.999 148 HD22 LEU 24 HD22 LEU 24 0.138 -0.272 -10.186 149 HD23 LEU 24 HD23 LEU 24 -1.351 0.317 -9.408 150 H THR 25 H THR 25 0.865 4.379 -5.725 151 HA THR 25 HA THR 25 -1.695 5.860 -5.515 152 HB THR 25 HB THR 25 -1.371 6.086 -3.112 153 HG1 THR 25 HG1 THR 25 0.870 4.400 -3.487 154 HG21 THR 25 HG21 THR 25 -1.733 3.764 -2.390 155 HG22 THR 25 HG22 THR 25 -2.621 4.096 -3.897 156 HG23 THR 25 HG23 THR 25 -1.105 3.163 -3.939 157 H LYS 26 H LYS 26 -1.319 8.128 -4.715 158 HA LYS 26 HA LYS 26 1.302 9.077 -5.769 159 HB2 LYS 26 HB2 LYS 26 -1.389 10.482 -5.858 160 HB3 LYS 26 HB3 LYS 26 0.139 11.115 -6.480 161 HG2 LYS 26 HG2 LYS 26 -1.346 8.639 -7.451 162 HG3 LYS 26 HG3 LYS 26 -1.177 10.171 -8.312 163 HD2 LYS 26 HD2 LYS 26 1.084 8.231 -7.632 164 HD3 LYS 26 HD3 LYS 26 0.372 8.471 -9.222 165 HE2 LYS 26 HE2 LYS 26 1.097 10.843 -9.203 166 HE3 LYS 26 HE3 LYS 26 1.828 10.603 -7.607 167 HZ1 LYS 26 HZ1 LYS 26 3.450 10.389 -9.351 168 HZ2 LYS 26 HZ2 LYS 26 3.263 8.941 -8.587 169 HZ3 LYS 26 HZ3 LYS 26 2.597 9.179 -10.068 170 H CYS 27 H CYS 27 0.619 8.292 -2.981 171 HA CYS 27 HA CYS 27 0.912 10.827 -1.522 172 HB2 CYS 27 HB2 CYS 27 0.916 9.388 0.453 173 HB3 CYS 27 HB3 CYS 27 -0.448 8.976 -0.609 174 HG CYS 27 HG CYS 27 0.715 6.953 -1.787 175 H ASP 28 H ASP 28 2.810 10.605 0.311 176 HA ASP 28 HA ASP 28 5.278 10.589 -1.163 177 HB2 ASP 28 HB2 ASP 28 4.612 10.755 1.795 178 HB3 ASP 28 HB3 ASP 28 6.214 11.032 1.115 179 HA PRO 29 HA PRO 29 6.555 6.378 -0.740 180 HB2 PRO 29 HB2 PRO 29 9.134 7.545 0.315 181 HB3 PRO 29 HB3 PRO 29 8.920 6.278 -0.919 182 HG2 PRO 29 HG2 PRO 29 9.504 8.816 -1.678 183 HG3 PRO 29 HG3 PRO 29 8.141 7.986 -2.516 184 HD2 PRO 29 HD2 PRO 29 8.006 9.886 -0.138 185 HD3 PRO 29 HD3 PRO 29 7.075 9.974 -1.664 186 H LYS 30 H LYS 30 7.090 8.666 1.869 187 HA LYS 30 HA LYS 30 7.960 6.867 3.856 188 HB2 LYS 30 HB2 LYS 30 6.821 9.657 3.819 189 HB3 LYS 30 HB3 LYS 30 7.422 8.863 5.310 190 HG2 LYS 30 HG2 LYS 30 9.580 8.387 4.061 191 HG3 LYS 30 HG3 LYS 30 8.979 9.414 2.735 192 HD2 LYS 30 HD2 LYS 30 8.685 11.274 4.327 193 HD3 LYS 30 HD3 LYS 30 9.251 10.201 5.638 194 HE2 LYS 30 HE2 LYS 30 11.438 9.967 4.494 195 HE3 LYS 30 HE3 LYS 30 10.874 11.014 3.178 196 HZ1 LYS 30 HZ1 LYS 30 10.662 12.794 4.775 197 HZ2 LYS 30 HZ2 LYS 30 11.176 11.821 5.999 198 HZ3 LYS 30 HZ3 LYS 30 12.199 12.213 4.775 199 H VAL 31 H VAL 31 4.810 7.503 2.526 200 HA VAL 31 HA VAL 31 3.331 6.655 4.924 201 HB VAL 31 HB VAL 31 2.420 7.201 2.068 202 HG11 VAL 31 HG11 VAL 31 0.869 6.887 4.675 203 HG12 VAL 31 HG12 VAL 31 0.179 7.437 3.132 204 HG13 VAL 31 HG13 VAL 31 0.817 5.789 3.275 205 HG21 VAL 31 HG21 VAL 31 2.353 8.942 4.579 206 HG22 VAL 31 HG22 VAL 31 3.384 9.205 3.153 207 HG23 VAL 31 HG23 VAL 31 1.621 9.356 3.011 208 H SER 32 H SER 32 4.697 5.256 1.970 209 HA SER 32 HA SER 32 3.115 2.849 2.017 210 HB2 SER 32 HB2 SER 32 4.301 3.563 0.015 211 HB3 SER 32 HB3 SER 32 5.855 3.486 0.840 212 HG SER 32 HG SER 32 4.105 1.299 0.401 213 H ARG 33 H ARG 33 6.320 3.766 3.302 214 HA ARG 33 HA ARG 33 7.062 1.289 4.453 215 HB2 ARG 33 HB2 ARG 33 8.618 3.123 4.307 216 HB3 ARG 33 HB3 ARG 33 7.568 4.177 5.262 217 HG2 ARG 33 HG2 ARG 33 7.928 2.866 7.273 218 HG3 ARG 33 HG3 ARG 33 8.829 1.635 6.376 219 HD2 ARG 33 HD2 ARG 33 9.663 4.554 6.591 220 HD3 ARG 33 HD3 ARG 33 10.265 3.260 7.644 221 HE ARG 33 HE ARG 33 11.100 2.132 5.552 222 HH11 ARG 33 HH11 ARG 33 10.719 5.650 5.635 223 HH12 ARG 33 HH12 ARG 33 11.926 5.911 4.395 224 HH21 ARG 33 HH21 ARG 33 12.646 2.502 3.984 225 HH22 ARG 33 HH22 ARG 33 13.029 4.133 3.471 226 H LYS 34 H LYS 34 4.691 3.658 5.480 227 HA LYS 34 HA LYS 34 4.450 2.561 8.189 228 HB2 LYS 34 HB2 LYS 34 4.334 4.933 7.909 229 HB3 LYS 34 HB3 LYS 34 3.144 4.795 6.607 230 HG2 LYS 34 HG2 LYS 34 1.441 4.008 8.174 231 HG3 LYS 34 HG3 LYS 34 2.626 4.043 9.508 232 HD2 LYS 34 HD2 LYS 34 2.843 6.436 9.356 233 HD3 LYS 34 HD3 LYS 34 1.985 6.477 7.800 234 HE2 LYS 34 HE2 LYS 34 0.519 7.248 9.607 235 HE3 LYS 34 HE3 LYS 34 -0.080 5.747 8.878 236 HZ1 LYS 34 HZ1 LYS 34 1.444 5.937 11.398 237 HZ2 LYS 34 HZ2 LYS 34 -0.178 5.699 11.278 238 HZ3 LYS 34 HZ3 LYS 34 0.860 4.549 10.734 239 H TYR 35 H TYR 35 2.772 2.302 5.077 240 HA TYR 35 HA TYR 35 0.654 0.642 6.343 241 HB2 TYR 35 HB2 TYR 35 0.941 2.043 3.680 242 HB3 TYR 35 HB3 TYR 35 -0.179 0.695 3.861 243 HD1 TYR 35 HD1 TYR 35 0.608 4.080 5.253 244 HD2 TYR 35 HD2 TYR 35 -2.289 0.933 4.794 245 HE1 TYR 35 HE1 TYR 35 -1.146 5.570 6.162 246 HE2 TYR 35 HE2 TYR 35 -4.047 2.412 5.731 247 HH TYR 35 HH TYR 35 -3.354 5.767 6.771 248 H LEU 36 H LEU 36 3.727 0.070 5.463 249 HA LEU 36 HA LEU 36 3.012 -2.688 4.549 250 HB2 LEU 36 HB2 LEU 36 5.529 -0.991 4.308 251 HB3 LEU 36 HB3 LEU 36 5.543 -2.744 4.061 252 HG LEU 36 HG LEU 36 3.670 -0.937 2.491 253 HD11 LEU 36 HD11 LEU 36 6.471 -1.900 1.742 254 HD12 LEU 36 HD12 LEU 36 5.339 -1.036 0.676 255 HD13 LEU 36 HD13 LEU 36 6.021 -0.223 2.103 256 HD21 LEU 36 HD21 LEU 36 3.264 -3.440 2.615 257 HD22 LEU 36 HD22 LEU 36 3.611 -2.839 0.972 258 HD23 LEU 36 HD23 LEU 36 4.871 -3.678 1.902 259 H GLN 37 H GLN 37 3.819 -0.743 7.179 260 HA GLN 37 HA GLN 37 5.364 -2.790 8.636 261 HB2 GLN 37 HB2 GLN 37 5.091 0.103 8.661 262 HB3 GLN 37 HB3 GLN 37 4.915 -0.564 10.308 263 HG2 GLN 37 HG2 GLN 37 7.040 -1.633 10.184 264 HG3 GLN 37 HG3 GLN 37 7.065 -1.530 8.422 265 HE21 GLN 37 HE22 GLN 37 9.271 -0.731 8.850 266 HE22 GLN 37 HE21 GLN 37 9.432 1.006 8.921 267 H ARG 38 H ARG 38 2.241 -2.357 7.917 268 HA ARG 38 HA ARG 38 1.315 -3.551 10.464 269 HB2 ARG 38 HB2 ARG 38 -0.649 -2.115 10.471 270 HB3 ARG 38 HB3 ARG 38 0.816 -1.131 10.454 271 HG2 ARG 38 HG2 ARG 38 0.446 -0.948 7.906 272 HG3 ARG 38 HG3 ARG 38 -1.146 -1.679 8.222 273 HD2 ARG 38 HD2 ARG 38 -0.045 0.953 9.262 274 HD3 ARG 38 HD3 ARG 38 -1.461 0.718 8.237 275 HE ARG 38 HE ARG 38 -1.327 0.580 11.117 276 HH11 ARG 38 HH11 ARG 38 -3.099 -0.692 8.324 277 HH12 ARG 38 HH12 ARG 38 -4.492 -1.136 9.275 278 HH21 ARG 38 HH21 ARG 38 -3.177 0.035 12.307 279 HH22 ARG 38 HH22 ARG 38 -4.545 -0.709 11.512 280 H ASN 39 H ASN 39 1.962 -4.222 7.430 281 HA ASN 39 HA ASN 39 -0.318 -6.054 7.101 282 HB2 ASN 39 HB2 ASN 39 0.698 -4.162 4.935 283 HB3 ASN 39 HB3 ASN 39 -0.546 -5.393 4.728 284 HD21 ASN 39 HD22 ASN 39 0.086 -2.167 5.471 285 HD22 ASN 39 HD21 ASN 39 -1.408 -1.703 6.240 286 H HIS 40 H HIS 40 2.509 -6.359 7.916 287 HA HIS 40 HA HIS 40 4.165 -7.848 7.615 288 HB2 HIS 40 HB2 HIS 40 2.375 -9.357 5.711 289 HB3 HIS 40 HB3 HIS 40 3.580 -10.001 6.824 290 HD2 HIS 40 HD2 HIS 40 2.277 -8.058 9.324 291 HE1 HIS 40 HE1 HIS 40 -0.975 -10.761 8.898 292 HE2 HIS 40 HE2 HIS 40 0.114 -9.030 10.421 293 H TRP 41 H TRP 41 4.062 -5.573 5.766 294 HA TRP 41 HA TRP 41 5.057 -4.762 3.952 295 HB2 TRP 41 HB2 TRP 41 7.065 -6.865 4.770 296 HB3 TRP 41 HB3 TRP 41 7.347 -5.749 3.453 297 HD1 TRP 41 HD1 TRP 41 6.883 -5.718 7.239 298 HE1 TRP 41 HE1 TRP 41 7.718 -3.472 8.164 299 HE3 TRP 41 HE3 TRP 41 7.969 -3.498 2.858 300 HZ2 TRP 41 HZ2 TRP 41 8.410 -0.836 7.036 301 HZ3 TRP 41 HZ3 TRP 41 8.748 -1.113 2.757 302 HH2 TRP 41 HH2 TRP 41 8.979 0.198 4.842 303 H ASN 42 H ASN 42 2.988 -6.811 3.370 304 HA ASN 42 HA ASN 42 3.877 -7.605 0.650 305 HB2 ASN 42 HB2 ASN 42 1.490 -8.236 2.415 306 HB3 ASN 42 HB3 ASN 42 1.418 -8.441 0.665 307 HD21 ASN 42 HD22 ASN 42 0.981 -10.713 1.443 308 HD22 ASN 42 HD21 ASN 42 2.382 -11.759 1.521 309 H ILE 43 H ILE 43 3.437 -6.299 -1.080 310 HA ILE 43 HA ILE 43 1.877 -3.898 -0.656 311 HB ILE 43 HB ILE 43 3.414 -5.137 -2.918 312 HG12 ILE 43 HG12 ILE 43 4.334 -3.544 -1.133 313 HG13 ILE 43 HG13 ILE 43 4.608 -3.007 -2.810 314 HG21 ILE 43 HG21 ILE 43 1.361 -2.910 -3.314 315 HG22 ILE 43 HG22 ILE 43 2.655 -3.316 -4.460 316 HG23 ILE 43 HG23 ILE 43 1.389 -4.505 -4.102 317 HD11 ILE 43 HD11 ILE 43 2.262 -2.062 -1.156 318 HD12 ILE 43 HD12 ILE 43 3.866 -1.291 -1.171 319 HD13 ILE 43 HD13 ILE 43 2.912 -1.378 -2.672 320 H ASN 44 H ASN 44 1.066 -7.167 -1.400 321 HA ASN 44 HA ASN 44 -1.403 -6.371 -2.776 322 HB2 ASN 44 HB2 ASN 44 -0.350 -9.080 -1.852 323 HB3 ASN 44 HB3 ASN 44 -1.809 -8.842 -2.823 324 HD21 ASN 44 HD22 ASN 44 0.613 -10.356 -3.512 325 HD22 ASN 44 HD21 ASN 44 1.241 -9.620 -4.978 326 H TYR 45 H TYR 45 -0.418 -6.215 0.326 327 HA TYR 45 HA TYR 45 -3.161 -6.616 1.412 328 HB2 TYR 45 HB2 TYR 45 -0.453 -7.490 2.420 329 HB3 TYR 45 HB3 TYR 45 -1.765 -7.228 3.539 330 HD1 TYR 45 HD2 TYR 45 -3.775 -8.626 3.528 331 HD2 TYR 45 HD1 TYR 45 -0.543 -9.363 0.800 332 HE1 TYR 45 HE2 TYR 45 -4.683 -10.898 3.073 333 HE2 TYR 45 HE1 TYR 45 -1.442 -11.635 0.331 334 HH TYR 45 HH TYR 45 -3.094 -13.162 0.792 335 H ALA 46 H ALA 46 -0.652 -4.488 0.691 336 HA ALA 46 HA ALA 46 -1.098 -2.724 3.038 337 HB1 ALA 46 HB1 ALA 46 0.915 -2.771 0.763 338 HB2 ALA 46 HB2 ALA 46 0.893 -1.558 2.057 339 HB3 ALA 46 HB3 ALA 46 1.199 -3.274 2.450 340 H LEU 47 H LEU 47 -1.579 -2.945 -0.496 341 HA LEU 47 HA LEU 47 -2.211 -0.146 -0.811 342 HB2 LEU 47 HB2 LEU 47 -2.773 -2.635 -2.470 343 HB3 LEU 47 HB3 LEU 47 -3.197 -0.998 -3.003 344 HG LEU 47 HG LEU 47 -0.386 -1.900 -2.328 345 HD11 LEU 47 HD11 LEU 47 -1.747 -1.374 -5.005 346 HD12 LEU 47 HD12 LEU 47 -0.028 -1.773 -4.765 347 HD13 LEU 47 HD13 LEU 47 -1.282 -2.970 -4.377 348 HD21 LEU 47 HD21 LEU 47 -1.472 0.671 -3.561 349 HD22 LEU 47 HD22 LEU 47 -0.684 0.519 -1.972 350 HD23 LEU 47 HD23 LEU 47 0.248 0.234 -3.452 351 H ASN 48 H ASN 48 -4.112 -3.100 -0.125 352 HA ASN 48 HA ASN 48 -6.672 -1.848 -0.434 353 HB2 ASN 48 HB2 ASN 48 -6.087 -4.161 1.436 354 HB3 ASN 48 HB3 ASN 48 -7.551 -3.850 0.488 355 HD21 ASN 48 HD22 ASN 48 -4.206 -4.935 0.470 356 HD22 ASN 48 HD21 ASN 48 -4.203 -5.635 -1.133 357 H ASP 49 H ASP 49 -4.383 -2.200 2.247 358 HA ASP 49 HA ASP 49 -6.110 -1.262 4.332 359 HB2 ASP 49 HB2 ASP 49 -3.843 -2.459 4.498 360 HB3 ASP 49 HB3 ASP 49 -3.092 -0.922 4.084 361 H TYR 50 H TYR 50 -4.104 0.350 1.915 362 HA TYR 50 HA TYR 50 -4.525 3.021 3.018 363 HB2 TYR 50 HB2 TYR 50 -2.525 2.321 1.739 364 HB3 TYR 50 HB3 TYR 50 -3.514 2.067 0.307 365 HD1 TYR 50 HD1 TYR 50 -2.204 4.648 2.634 366 HD2 TYR 50 HD2 TYR 50 -4.248 3.871 -1.070 367 HE1 TYR 50 HE1 TYR 50 -1.936 7.036 1.985 368 HE2 TYR 50 HE2 TYR 50 -3.994 6.245 -1.723 369 HH TYR 50 HH TYR 50 -2.393 8.647 0.410 370 H TYR 51 H TYR 51 -6.022 0.900 0.627 371 HA TYR 51 HA TYR 51 -7.823 2.951 -0.379 372 HB2 TYR 51 HB2 TYR 51 -7.871 -0.065 -0.701 373 HB3 TYR 51 HB3 TYR 51 -8.863 1.085 -1.604 374 HD1 TYR 51 HD2 TYR 51 -6.687 3.226 -1.968 375 HD2 TYR 51 HD1 TYR 51 -6.686 -1.041 -2.566 376 HE1 TYR 51 HE2 TYR 51 -4.906 3.473 -3.653 377 HE2 TYR 51 HE1 TYR 51 -4.913 -0.795 -4.275 378 HH TYR 51 HH TYR 51 -3.569 0.652 -5.437 379 H ASP 52 H ASP 52 -7.695 1.358 2.553 380 HA ASP 52 HA ASP 52 -10.645 1.315 2.910 381 HB2 ASP 52 HB2 ASP 52 -8.271 0.266 4.491 382 HB3 ASP 52 HB3 ASP 52 -9.899 0.294 5.130 383 H LYS 53 H LYS 53 -7.661 3.000 3.804 384 HA LYS 53 HA LYS 53 -9.165 4.511 5.897 385 HB2 LYS 53 HB2 LYS 53 -6.263 3.651 5.782 386 HB3 LYS 53 HB3 LYS 53 -7.006 4.628 7.066 387 HG2 LYS 53 HG2 LYS 53 -8.587 2.809 7.569 388 HG3 LYS 53 HG3 LYS 53 -7.845 1.803 6.297 389 HD2 LYS 53 HD2 LYS 53 -5.669 1.956 7.414 390 HD3 LYS 53 HD3 LYS 53 -6.388 2.945 8.708 391 HE2 LYS 53 HE2 LYS 53 -7.167 0.084 7.988 392 HE3 LYS 53 HE3 LYS 53 -6.144 0.557 9.355 393 HZ1 LYS 53 HZ1 LYS 53 -8.399 0.221 10.055 394 HZ2 LYS 53 HZ2 LYS 53 -8.002 1.806 10.229 395 HZ3 LYS 53 HZ3 LYS 53 -8.962 1.329 8.984 396 H GLU 54 H GLU 54 -7.511 4.875 2.886 397 HA GLU 54 HA GLU 54 -7.334 7.806 3.367 398 HB2 GLU 54 HB2 GLU 54 -5.194 6.075 2.080 399 HB3 GLU 54 HB3 GLU 54 -5.173 7.840 2.139 400 HG2 GLU 54 HG2 GLU 54 -5.124 6.008 4.568 401 HG3 GLU 54 HG3 GLU 54 -3.722 6.807 3.858 402 H ILE 55 H ILE 55 -9.023 5.646 1.739 403 HA ILE 55 HA ILE 55 -8.415 6.189 -0.985 404 HB ILE 55 HB ILE 55 -9.560 4.183 -0.226 405 HG12 ILE 55 HG12 ILE 55 -11.321 5.830 -2.078 406 HG13 ILE 55 HG13 ILE 55 -9.811 5.027 -2.557 407 HG21 ILE 55 HG21 ILE 55 -11.959 5.989 0.329 408 HG22 ILE 55 HG22 ILE 55 -11.901 4.217 0.499 409 HG23 ILE 55 HG23 ILE 55 -10.936 5.234 1.573 410 HD11 ILE 55 HD11 ILE 55 -12.328 3.654 -1.511 411 HD12 ILE 55 HD12 ILE 55 -11.723 3.645 -3.178 412 HD13 ILE 55 HD13 ILE 55 -10.797 2.832 -1.897 413 H GLY 56 H GLY 56 -9.479 7.473 -2.520 414 HA2 GLY 56 HA2 GLY 56 -11.721 9.061 -2.270 415 HA3 GLY 56 HA3 GLY 56 -10.417 10.041 -1.568 416 H THR 57 H THR 57 -8.427 8.672 -3.438 417 HA THR 57 HA THR 57 -9.273 9.396 -6.124 418 HB THR 57 HB THR 57 -8.688 11.604 -5.157 419 HG1 THR 57 HG1 THR 57 -7.207 12.091 -6.830 420 HG21 THR 57 HG21 THR 57 -5.889 10.427 -4.872 421 HG22 THR 57 HG22 THR 57 -6.351 12.123 -4.601 422 HG23 THR 57 HG23 THR 57 -6.961 10.851 -3.523 423 H PHE 58 H PHE 58 -7.468 8.976 -7.705 424 HA PHE 58 HA PHE 58 -5.474 7.036 -6.667 425 HB2 PHE 58 HB2 PHE 58 -7.294 6.751 -9.082 426 HB3 PHE 58 HB3 PHE 58 -5.948 5.672 -8.676 427 HD1 PHE 58 HD2 PHE 58 -6.031 4.276 -6.628 428 HD2 PHE 58 HD1 PHE 58 -9.371 6.673 -7.873 429 HE1 PHE 58 HE2 PHE 58 -7.491 3.026 -5.081 430 HE2 PHE 58 HE1 PHE 58 -10.857 5.394 -6.341 431 HZ PHE 58 HZ PHE 58 -9.920 3.569 -4.942 432 H THR 59 H THR 59 -5.909 9.943 -8.026 433 HA THR 59 HA THR 59 -3.324 9.887 -9.451 434 HB THR 59 HB THR 59 -5.005 9.377 -11.172 435 HG1 THR 59 HG1 THR 59 -4.375 11.046 -12.551 436 HG21 THR 59 HG21 THR 59 -6.956 10.553 -10.181 437 HG22 THR 59 HG22 THR 59 -6.164 12.116 -10.477 438 HG23 THR 59 HG23 THR 59 -6.651 11.089 -11.844 439 H ASP 60 H ASP 60 -2.626 12.143 -10.050 440 HA ASP 60 HA ASP 60 -3.843 14.249 -8.399 441 HB2 ASP 60 HB2 ASP 60 -2.173 13.085 -6.955 442 HB3 ASP 60 HB3 ASP 60 -0.923 13.432 -8.156 443 H GLU 61 H GLU 61 -2.951 16.404 -8.931 444 HA GLU 61 HA GLU 61 -2.624 16.642 -11.811 445 HB2 GLU 61 HB2 GLU 61 -2.640 18.727 -9.599 446 HB3 GLU 61 HB3 GLU 61 -2.675 19.072 -11.336 447 HG2 GLU 61 HG2 GLU 61 -4.783 17.511 -9.787 448 HG3 GLU 61 HG3 GLU 61 -4.927 19.180 -10.341 449 H VAL 62 H VAL 62 -0.972 17.976 -12.833 450 HA VAL 62 HA VAL 62 1.661 17.999 -11.461 451 HB VAL 62 HB VAL 62 1.132 16.832 -14.224 452 HG11 VAL 62 HG11 VAL 62 3.695 17.153 -12.602 453 HG12 VAL 62 HG12 VAL 62 3.551 16.288 -14.150 454 HG13 VAL 62 HG13 VAL 62 3.283 18.040 -14.088 455 HG21 VAL 62 HG21 VAL 62 0.480 15.266 -12.434 456 HG22 VAL 62 HG22 VAL 62 1.983 14.730 -13.210 457 HG23 VAL 62 HG23 VAL 62 2.043 15.527 -11.621 Start of MODEL 9 1 HA ILE 6 HA ILE 6 18.833 -9.269 -2.952 2 HB ILE 6 HB ILE 6 21.260 -9.028 -3.375 3 HG12 ILE 6 HG12 ILE 6 20.489 -9.089 -6.325 4 HG13 ILE 6 HG13 ILE 6 21.100 -7.674 -5.446 5 HG21 ILE 6 HG21 ILE 6 20.033 -11.222 -5.087 6 HG22 ILE 6 HG22 ILE 6 21.614 -11.244 -4.281 7 HG23 ILE 6 HG23 ILE 6 20.137 -11.261 -3.310 8 HD11 ILE 6 HD11 ILE 6 22.602 -10.281 -5.933 9 HD12 ILE 6 HD12 ILE 6 22.922 -8.705 -6.681 10 HD13 ILE 6 HD13 ILE 6 23.194 -8.927 -4.935 11 H LYS 7 H LYS 7 19.880 -7.561 -1.752 12 HA LYS 7 HA LYS 7 18.898 -4.952 -2.600 13 HB2 LYS 7 HB2 LYS 7 19.736 -4.220 -0.372 14 HB3 LYS 7 HB3 LYS 7 18.549 -5.526 -0.332 15 HG2 LYS 7 HG2 LYS 7 20.367 -7.186 -0.011 16 HG3 LYS 7 HG3 LYS 7 21.557 -5.862 0.017 17 HD2 LYS 7 HD2 LYS 7 20.414 -4.865 1.966 18 HD3 LYS 7 HD3 LYS 7 19.200 -6.163 1.923 19 HE2 LYS 7 HE2 LYS 7 20.858 -6.674 3.626 20 HE3 LYS 7 HE3 LYS 7 20.997 -7.838 2.299 21 HZ1 LYS 7 HZ1 LYS 7 22.849 -6.553 1.461 22 HZ2 LYS 7 HZ2 LYS 7 22.715 -5.477 2.698 23 HZ3 LYS 7 HZ3 LYS 7 23.137 -7.036 3.002 24 H ARG 8 H ARG 8 19.981 -4.144 -4.242 25 HA ARG 8 HA ARG 8 22.837 -4.203 -4.584 26 HB2 ARG 8 HB2 ARG 8 20.754 -2.287 -5.726 27 HB3 ARG 8 HB3 ARG 8 22.406 -2.496 -6.331 28 HG2 ARG 8 HG2 ARG 8 20.275 -4.607 -6.325 29 HG3 ARG 8 HG3 ARG 8 20.829 -3.678 -7.736 30 HD2 ARG 8 HD2 ARG 8 23.137 -4.609 -7.381 31 HD3 ARG 8 HD3 ARG 8 22.494 -5.627 -6.083 32 HE ARG 8 HE ARG 8 21.450 -7.007 -7.643 33 HH11 ARG 8 HH11 ARG 8 22.753 -4.145 -9.251 34 HH12 ARG 8 HH12 ARG 8 22.533 -4.799 -10.860 35 HH21 ARG 8 HH21 ARG 8 21.177 -7.841 -9.749 36 HH22 ARG 8 HH22 ARG 8 21.634 -6.881 -11.136 37 H LYS 9 H LYS 9 24.160 -2.129 -4.740 38 HA LYS 9 HA LYS 9 24.222 -0.907 -2.148 39 HB2 LYS 9 HB2 LYS 9 25.777 -0.302 -4.694 40 HB3 LYS 9 HB3 LYS 9 26.183 0.274 -3.063 41 HG2 LYS 9 HG2 LYS 9 26.444 -2.057 -2.285 42 HG3 LYS 9 HG3 LYS 9 26.032 -2.657 -3.909 43 HD2 LYS 9 HD2 LYS 9 27.976 -1.494 -4.860 44 HD3 LYS 9 HD3 LYS 9 28.325 -0.776 -3.278 45 HE2 LYS 9 HE2 LYS 9 29.821 -2.665 -3.639 46 HE3 LYS 9 HE3 LYS 9 28.693 -3.049 -2.335 47 HZ1 LYS 9 HZ1 LYS 9 28.432 -3.933 -5.134 48 HZ2 LYS 9 HZ2 LYS 9 28.934 -4.864 -3.879 49 HZ3 LYS 9 HZ3 LYS 9 27.389 -4.304 -3.913 50 H ASP 10 H ASP 10 21.982 -0.311 -4.292 51 HA ASP 10 HA ASP 10 21.719 2.479 -3.400 52 HB2 ASP 10 HB2 ASP 10 22.802 2.504 -5.658 53 HB3 ASP 10 HB3 ASP 10 21.403 1.643 -6.316 54 H ALA 11 H ALA 11 20.515 -0.290 -2.913 55 HA ALA 11 HA ALA 11 17.687 0.536 -3.120 56 HB1 ALA 11 HB1 ALA 11 18.777 -2.123 -4.128 57 HB2 ALA 11 HB2 ALA 11 17.061 -1.669 -4.032 58 HB3 ALA 11 HB3 ALA 11 18.144 -0.808 -5.145 59 H SER 12 H SER 12 16.278 -1.071 -1.884 60 HA SER 12 HA SER 12 17.643 -2.517 0.280 61 HB2 SER 12 HB2 SER 12 17.037 -1.146 2.001 62 HB3 SER 12 HB3 SER 12 17.105 0.091 0.741 63 HG SER 12 HG SER 12 15.147 0.023 2.039 64 HA PRO 13 HA PRO 13 14.126 -5.125 -0.137 65 HB2 PRO 13 HB2 PRO 13 13.352 -5.825 2.378 66 HB3 PRO 13 HB3 PRO 13 15.007 -6.238 1.796 67 HG2 PRO 13 HG2 PRO 13 14.185 -3.770 3.388 68 HG3 PRO 13 HG3 PRO 13 15.437 -4.989 3.839 69 HD2 PRO 13 HD2 PRO 13 16.148 -2.745 2.539 70 HD3 PRO 13 HD3 PRO 13 16.842 -4.312 2.003 71 H GLU 14 H GLU 14 13.741 -2.385 2.039 72 HA GLU 14 HA GLU 14 10.831 -2.369 1.924 73 HB2 GLU 14 HB2 GLU 14 12.908 -0.296 2.761 74 HB3 GLU 14 HB3 GLU 14 11.148 -0.110 2.930 75 HG2 GLU 14 HG2 GLU 14 11.061 -2.112 4.376 76 HG3 GLU 14 HG3 GLU 14 12.822 -2.258 4.259 77 H GLN 15 H GLN 15 13.556 -1.043 0.074 78 HA GLN 15 HA GLN 15 12.021 0.922 -1.353 79 HB2 GLN 15 HB2 GLN 15 14.749 0.106 -1.081 80 HB3 GLN 15 HB3 GLN 15 14.378 -0.053 -2.796 81 HG2 GLN 15 HG2 GLN 15 15.174 2.236 -2.165 82 HG3 GLN 15 HG3 GLN 15 13.522 2.228 -2.858 83 HE21 GLN 15 HE22 GLN 15 14.550 1.216 0.413 84 HE22 GLN 15 HE21 GLN 15 13.511 2.326 1.276 85 H GLU 16 H GLU 16 12.565 -2.470 -1.706 86 HA GLU 16 HA GLU 16 11.641 -2.492 -4.482 87 HB2 GLU 16 HB2 GLU 16 12.118 -4.784 -2.519 88 HB3 GLU 16 HB3 GLU 16 11.652 -4.993 -4.218 89 HG2 GLU 16 HG2 GLU 16 13.668 -3.594 -4.843 90 HG3 GLU 16 HG3 GLU 16 14.209 -3.729 -3.167 91 H ALA 17 H ALA 17 10.125 -2.302 -1.456 92 HA ALA 17 HA ALA 17 7.529 -3.217 -2.632 93 HB1 ALA 17 HB1 ALA 17 6.768 -3.415 -0.307 94 HB2 ALA 17 HB2 ALA 17 8.223 -4.388 -0.577 95 HB3 ALA 17 HB3 ALA 17 8.343 -2.829 0.276 96 H ILE 18 H ILE 18 9.287 -0.435 -1.363 97 HA ILE 18 HA ILE 18 6.879 1.175 -0.990 98 HB ILE 18 HB ILE 18 9.860 1.645 -0.792 99 HG12 ILE 18 HG12 ILE 18 7.604 1.931 1.243 100 HG13 ILE 18 HG13 ILE 18 8.490 0.429 0.994 101 HG21 ILE 18 HG21 ILE 18 8.991 3.725 -1.707 102 HG22 ILE 18 HG22 ILE 18 7.658 3.728 -0.527 103 HG23 ILE 18 HG23 ILE 18 9.335 3.950 0.013 104 HD11 ILE 18 HD11 ILE 18 9.661 3.086 1.935 105 HD12 ILE 18 HD12 ILE 18 9.488 1.581 2.865 106 HD13 ILE 18 HD13 ILE 18 10.634 1.658 1.518 107 H GLU 19 H GLU 19 9.292 0.665 -3.594 108 HA GLU 19 HA GLU 19 8.570 3.086 -4.979 109 HB2 GLU 19 HB2 GLU 19 9.936 0.515 -5.827 110 HB3 GLU 19 HB3 GLU 19 9.608 1.848 -6.962 111 HG2 GLU 19 HG2 GLU 19 10.868 3.409 -5.556 112 HG3 GLU 19 HG3 GLU 19 11.170 2.142 -4.361 113 H SER 20 H SER 20 7.269 -0.272 -5.063 114 HA SER 20 HA SER 20 5.518 0.306 -7.300 115 HB2 SER 20 HB2 SER 20 5.649 -1.937 -5.239 116 HB3 SER 20 HB3 SER 20 4.617 -1.932 -6.683 117 HG SER 20 HG SER 20 6.614 -3.026 -7.023 118 H PHE 21 H PHE 21 5.360 0.697 -3.805 119 HA PHE 21 HA PHE 21 2.468 0.813 -3.664 120 HB2 PHE 21 HB2 PHE 21 4.142 0.368 -1.794 121 HB3 PHE 21 HB3 PHE 21 4.564 2.043 -1.829 122 HD1 PHE 21 HD1 PHE 21 2.300 3.680 -1.736 123 HD2 PHE 21 HD2 PHE 21 2.664 -0.284 -0.097 124 HE1 PHE 21 HE1 PHE 21 0.392 4.125 -0.235 125 HE2 PHE 21 HE2 PHE 21 0.741 0.166 1.396 126 HZ PHE 21 HZ PHE 21 -0.403 2.367 1.323 127 H THR 22 H THR 22 5.115 3.200 -3.776 128 HA THR 22 HA THR 22 3.405 5.518 -3.905 129 HB THR 22 HB THR 22 6.179 5.478 -5.036 130 HG1 THR 22 HG1 THR 22 6.430 4.277 -3.158 131 HG21 THR 22 HG21 THR 22 4.733 7.363 -3.122 132 HG22 THR 22 HG22 THR 22 6.345 7.631 -3.798 133 HG23 THR 22 HG23 THR 22 4.928 7.617 -4.876 134 H SER 23 H SER 23 4.069 3.084 -6.187 135 HA SER 23 HA SER 23 3.831 4.889 -8.498 136 HB2 SER 23 HB2 SER 23 4.150 1.901 -8.202 137 HB3 SER 23 HB3 SER 23 3.977 2.691 -9.771 138 HG SER 23 HG SER 23 6.065 3.012 -7.898 139 H LEU 24 H LEU 24 1.907 2.790 -6.467 140 HA LEU 24 HA LEU 24 -0.349 2.805 -8.410 141 HB2 LEU 24 HB2 LEU 24 0.324 1.069 -6.004 142 HB3 LEU 24 HB3 LEU 24 -1.228 1.023 -6.854 143 HG LEU 24 HG LEU 24 1.485 0.514 -8.167 144 HD11 LEU 24 HD11 LEU 24 0.947 -1.250 -6.548 145 HD12 LEU 24 HD12 LEU 24 -0.667 -1.451 -7.274 146 HD13 LEU 24 HD13 LEU 24 0.794 -1.852 -8.210 147 HD21 LEU 24 HD21 LEU 24 -0.205 1.303 -9.775 148 HD22 LEU 24 HD22 LEU 24 0.103 -0.421 -10.016 149 HD23 LEU 24 HD23 LEU 24 -1.365 0.101 -9.157 150 H THR 25 H THR 25 0.834 4.348 -5.666 151 HA THR 25 HA THR 25 -1.820 5.597 -5.268 152 HB THR 25 HB THR 25 -1.280 5.955 -2.908 153 HG1 THR 25 HG1 THR 25 1.019 4.389 -3.440 154 HG21 THR 25 HG21 THR 25 -0.900 3.027 -3.659 155 HG22 THR 25 HG22 THR 25 -1.418 3.648 -2.078 156 HG23 THR 25 HG23 THR 25 -2.464 3.862 -3.504 157 H LYS 26 H LYS 26 -1.273 7.907 -4.111 158 HA LYS 26 HA LYS 26 1.134 9.004 -5.473 159 HB2 LYS 26 HB2 LYS 26 -1.658 10.196 -5.455 160 HB3 LYS 26 HB3 LYS 26 -0.211 11.033 -6.036 161 HG2 LYS 26 HG2 LYS 26 -1.315 8.419 -7.160 162 HG3 LYS 26 HG3 LYS 26 -1.519 10.012 -7.888 163 HD2 LYS 26 HD2 LYS 26 1.175 8.631 -7.457 164 HD3 LYS 26 HD3 LYS 26 0.289 8.697 -8.976 165 HE2 LYS 26 HE2 LYS 26 0.404 11.185 -8.923 166 HE3 LYS 26 HE3 LYS 26 1.315 11.094 -7.404 167 HZ1 LYS 26 HZ1 LYS 26 2.184 9.973 -9.990 168 HZ2 LYS 26 HZ2 LYS 26 2.763 11.342 -9.289 169 HZ3 LYS 26 HZ3 LYS 26 3.022 9.885 -8.579 170 H CYS 27 H CYS 27 0.630 8.152 -2.683 171 HA CYS 27 HA CYS 27 0.881 10.698 -1.212 172 HB2 CYS 27 HB2 CYS 27 1.005 9.219 0.758 173 HB3 CYS 27 HB3 CYS 27 -0.424 8.867 -0.228 174 HG CYS 27 HG CYS 27 0.575 6.631 0.686 175 H ASP 28 H ASP 28 2.835 10.552 0.532 176 HA ASP 28 HA ASP 28 5.253 10.573 -1.016 177 HB2 ASP 28 HB2 ASP 28 4.646 10.817 1.948 178 HB3 ASP 28 HB3 ASP 28 6.240 11.085 1.237 179 HA PRO 29 HA PRO 29 6.743 6.444 -0.481 180 HB2 PRO 29 HB2 PRO 29 9.266 7.784 0.538 181 HB3 PRO 29 HB3 PRO 29 9.127 6.464 -0.645 182 HG2 PRO 29 HG2 PRO 29 9.562 9.001 -1.503 183 HG3 PRO 29 HG3 PRO 29 8.243 8.071 -2.307 184 HD2 PRO 29 HD2 PRO 29 8.014 10.039 0.002 185 HD3 PRO 29 HD3 PRO 29 7.083 10.027 -1.518 186 H LYS 30 H LYS 30 7.176 8.841 2.056 187 HA LYS 30 HA LYS 30 8.065 7.122 4.112 188 HB2 LYS 30 HB2 LYS 30 6.856 9.881 3.970 189 HB3 LYS 30 HB3 LYS 30 7.442 9.140 5.497 190 HG2 LYS 30 HG2 LYS 30 9.643 8.693 4.322 191 HG3 LYS 30 HG3 LYS 30 9.050 9.661 2.948 192 HD2 LYS 30 HD2 LYS 30 8.652 11.558 4.458 193 HD3 LYS 30 HD3 LYS 30 9.199 10.562 5.832 194 HE2 LYS 30 HE2 LYS 30 11.443 10.356 4.787 195 HE3 LYS 30 HE3 LYS 30 10.897 11.328 3.411 196 HZ1 LYS 30 HZ1 LYS 30 12.101 12.651 5.012 197 HZ2 LYS 30 HZ2 LYS 30 10.540 13.158 4.929 198 HZ3 LYS 30 HZ3 LYS 30 11.044 12.257 6.206 199 H VAL 31 H VAL 31 4.946 7.664 2.682 200 HA VAL 31 HA VAL 31 3.428 6.696 5.028 201 HB VAL 31 HB VAL 31 2.574 7.481 2.208 202 HG11 VAL 31 HG11 VAL 31 0.946 6.883 4.715 203 HG12 VAL 31 HG12 VAL 31 0.298 7.559 3.203 204 HG13 VAL 31 HG13 VAL 31 0.977 5.923 3.214 205 HG21 VAL 31 HG21 VAL 31 3.473 9.383 3.498 206 HG22 VAL 31 HG22 VAL 31 1.710 9.516 3.332 207 HG23 VAL 31 HG23 VAL 31 2.420 8.964 4.867 208 H SER 32 H SER 32 4.826 5.578 1.974 209 HA SER 32 HA SER 32 3.306 3.163 1.725 210 HB2 SER 32 HB2 SER 32 6.155 3.768 0.850 211 HB3 SER 32 HB3 SER 32 5.083 2.512 0.193 212 HG SER 32 HG SER 32 5.155 4.480 -1.059 213 H ARG 33 H ARG 33 6.386 4.005 3.366 214 HA ARG 33 HA ARG 33 7.044 1.389 4.302 215 HB2 ARG 33 HB2 ARG 33 8.695 3.125 4.328 216 HB3 ARG 33 HB3 ARG 33 7.632 4.236 5.196 217 HG2 ARG 33 HG2 ARG 33 7.778 2.928 7.234 218 HG3 ARG 33 HG3 ARG 33 8.717 1.664 6.420 219 HD2 ARG 33 HD2 ARG 33 9.607 4.567 6.662 220 HD3 ARG 33 HD3 ARG 33 10.071 3.288 7.798 221 HE ARG 33 HE ARG 33 10.993 2.081 5.726 222 HH11 ARG 33 HH11 ARG 33 10.952 5.608 6.007 223 HH12 ARG 33 HH12 ARG 33 12.333 5.811 4.955 224 HH21 ARG 33 HH21 ARG 33 12.770 2.362 4.438 225 HH22 ARG 33 HH22 ARG 33 13.370 3.963 4.051 226 H LYS 34 H LYS 34 4.732 3.795 5.352 227 HA LYS 34 HA LYS 34 4.495 2.720 8.055 228 HB2 LYS 34 HB2 LYS 34 4.421 5.114 7.688 229 HB3 LYS 34 HB3 LYS 34 3.139 4.943 6.485 230 HG2 LYS 34 HG2 LYS 34 1.553 4.213 8.199 231 HG3 LYS 34 HG3 LYS 34 2.834 4.302 9.441 232 HD2 LYS 34 HD2 LYS 34 3.063 6.703 9.087 233 HD3 LYS 34 HD3 LYS 34 1.990 6.647 7.677 234 HE2 LYS 34 HE2 LYS 34 0.776 7.520 9.607 235 HE3 LYS 34 HE3 LYS 34 0.106 5.967 9.085 236 HZ1 LYS 34 HZ1 LYS 34 1.326 4.920 10.874 237 HZ2 LYS 34 HZ2 LYS 34 1.962 6.364 11.341 238 HZ3 LYS 34 HZ3 LYS 34 0.347 6.100 11.468 239 H TYR 35 H TYR 35 2.803 2.301 4.976 240 HA TYR 35 HA TYR 35 0.580 0.939 6.387 241 HB2 TYR 35 HB2 TYR 35 0.990 2.012 3.624 242 HB3 TYR 35 HB3 TYR 35 -0.116 0.660 3.848 243 HD1 TYR 35 HD1 TYR 35 0.515 4.197 4.832 244 HD2 TYR 35 HD2 TYR 35 -2.235 0.881 4.889 245 HE1 TYR 35 HE1 TYR 35 -1.288 5.708 5.617 246 HE2 TYR 35 HE2 TYR 35 -4.038 2.389 5.675 247 HH TYR 35 HH TYR 35 -3.491 5.882 6.248 248 H LEU 36 H LEU 36 3.567 0.187 4.739 249 HA LEU 36 HA LEU 36 2.861 -2.631 4.330 250 HB2 LEU 36 HB2 LEU 36 5.420 -0.975 4.225 251 HB3 LEU 36 HB3 LEU 36 5.422 -2.728 3.981 252 HG LEU 36 HG LEU 36 3.677 -0.869 2.332 253 HD11 LEU 36 HD11 LEU 36 6.078 -0.254 2.054 254 HD12 LEU 36 HD12 LEU 36 6.454 -1.950 1.667 255 HD13 LEU 36 HD13 LEU 36 5.412 -1.000 0.587 256 HD21 LEU 36 HD21 LEU 36 4.775 -3.667 1.795 257 HD22 LEU 36 HD22 LEU 36 3.143 -3.349 2.418 258 HD23 LEU 36 HD23 LEU 36 3.608 -2.766 0.805 259 H GLN 37 H GLN 37 4.074 -0.584 6.895 260 HA GLN 37 HA GLN 37 5.234 -2.708 8.465 261 HB2 GLN 37 HB2 GLN 37 4.998 0.187 8.525 262 HB3 GLN 37 HB3 GLN 37 4.750 -0.517 10.152 263 HG2 GLN 37 HG2 GLN 37 6.872 -1.590 10.100 264 HG3 GLN 37 HG3 GLN 37 6.953 -1.468 8.338 265 HE21 GLN 37 HE22 GLN 37 9.165 -0.743 8.948 266 HE22 GLN 37 HE21 GLN 37 9.366 0.991 9.001 267 H ARG 38 H ARG 38 2.083 -2.204 7.652 268 HA ARG 38 HA ARG 38 1.074 -3.213 10.281 269 HB2 ARG 38 HB2 ARG 38 -0.704 -1.990 8.178 270 HB3 ARG 38 HB3 ARG 38 -0.963 -2.098 9.921 271 HG2 ARG 38 HG2 ARG 38 0.950 -0.266 8.438 272 HG3 ARG 38 HG3 ARG 38 -0.567 0.209 9.206 273 HD2 ARG 38 HD2 ARG 38 1.911 -0.821 10.650 274 HD3 ARG 38 HD3 ARG 38 1.327 0.843 10.619 275 HE ARG 38 HE ARG 38 -0.707 0.065 11.810 276 HH11 ARG 38 HH11 ARG 38 2.198 -1.973 11.960 277 HH12 ARG 38 HH12 ARG 38 1.722 -2.722 13.464 278 HH21 ARG 38 HH21 ARG 38 -1.286 -0.955 13.761 279 HH22 ARG 38 HH22 ARG 38 -0.228 -2.156 14.469 280 H ASN 39 H ASN 39 1.942 -4.178 7.223 281 HA ASN 39 HA ASN 39 -0.116 -6.295 7.097 282 HB2 ASN 39 HB2 ASN 39 0.566 -4.268 4.927 283 HB3 ASN 39 HB3 ASN 39 -0.368 -5.728 4.619 284 HD21 ASN 39 HD21 ASN 39 -0.542 -2.457 5.537 285 HD22 ASN 39 HD22 ASN 39 -2.184 -2.442 6.140 286 H HIS 40 H HIS 40 2.650 -6.387 7.883 287 HA HIS 40 HA HIS 40 4.442 -7.733 7.604 288 HB2 HIS 40 HB2 HIS 40 2.723 -9.426 5.791 289 HB3 HIS 40 HB3 HIS 40 4.005 -9.948 6.892 290 HD2 HIS 40 HD2 HIS 40 2.640 -8.009 9.357 291 HE1 HIS 40 HE1 HIS 40 -0.439 -10.931 9.132 292 HE2 HIS 40 HE2 HIS 40 0.586 -9.086 10.563 293 H TRP 41 H TRP 41 4.099 -5.538 5.665 294 HA TRP 41 HA TRP 41 5.031 -4.717 3.812 295 HB2 TRP 41 HB2 TRP 41 7.168 -6.718 4.555 296 HB3 TRP 41 HB3 TRP 41 7.335 -5.540 3.273 297 HD1 TRP 41 HD1 TRP 41 6.788 -5.618 7.069 298 HE1 TRP 41 HE1 TRP 41 7.563 -3.380 8.061 299 HE3 TRP 41 HE3 TRP 41 7.999 -3.322 2.767 300 HZ2 TRP 41 HZ2 TRP 41 8.379 -0.752 7.012 301 HZ3 TRP 41 HZ3 TRP 41 8.844 -0.953 2.739 302 HH2 TRP 41 HH2 TRP 41 9.037 0.311 4.852 303 H ASN 42 H ASN 42 3.053 -6.930 3.422 304 HA ASN 42 HA ASN 42 3.799 -7.777 0.692 305 HB2 ASN 42 HB2 ASN 42 1.412 -8.235 2.536 306 HB3 ASN 42 HB3 ASN 42 1.410 -8.676 0.828 307 HD21 ASN 42 HD22 ASN 42 2.702 -10.365 0.038 308 HD22 ASN 42 HD21 ASN 42 3.449 -11.526 1.111 309 H ILE 43 H ILE 43 3.456 -6.347 -0.967 310 HA ILE 43 HA ILE 43 1.900 -3.960 -0.563 311 HB ILE 43 HB ILE 43 3.375 -5.267 -2.836 312 HG12 ILE 43 HG12 ILE 43 4.393 -3.697 -1.121 313 HG13 ILE 43 HG13 ILE 43 4.609 -3.156 -2.801 314 HG21 ILE 43 HG21 ILE 43 1.395 -2.986 -3.233 315 HG22 ILE 43 HG22 ILE 43 2.655 -3.454 -4.395 316 HG23 ILE 43 HG23 ILE 43 1.349 -4.586 -4.000 317 HD11 ILE 43 HD11 ILE 43 2.336 -2.146 -1.075 318 HD12 ILE 43 HD12 ILE 43 3.960 -1.438 -1.115 319 HD13 ILE 43 HD13 ILE 43 2.970 -1.479 -2.600 320 H ASN 44 H ASN 44 1.046 -7.205 -1.315 321 HA ASN 44 HA ASN 44 -1.403 -6.375 -2.683 322 HB2 ASN 44 HB2 ASN 44 -0.399 -9.129 -1.810 323 HB3 ASN 44 HB3 ASN 44 -1.804 -8.848 -2.843 324 HD21 ASN 44 HD22 ASN 44 0.569 -10.408 -3.483 325 HD22 ASN 44 HD21 ASN 44 1.309 -9.651 -4.881 326 H TYR 45 H TYR 45 -0.488 -6.356 0.445 327 HA TYR 45 HA TYR 45 -3.274 -6.788 1.424 328 HB2 TYR 45 HB2 TYR 45 -0.583 -7.654 2.512 329 HB3 TYR 45 HB3 TYR 45 -1.940 -7.441 3.589 330 HD1 TYR 45 HD1 TYR 45 -3.970 -8.863 3.383 331 HD2 TYR 45 HD2 TYR 45 -0.470 -9.559 0.990 332 HE1 TYR 45 HE1 TYR 45 -4.791 -11.145 2.856 333 HE2 TYR 45 HE2 TYR 45 -1.278 -11.846 0.461 334 HH TYR 45 HH TYR 45 -4.369 -13.116 1.747 335 H ALA 46 H ALA 46 -0.748 -4.626 0.850 336 HA ALA 46 HA ALA 46 -1.356 -2.965 3.239 337 HB1 ALA 46 HB1 ALA 46 0.983 -3.601 2.827 338 HB2 ALA 46 HB2 ALA 46 0.884 -2.910 1.194 339 HB3 ALA 46 HB3 ALA 46 0.763 -1.849 2.637 340 H LEU 47 H LEU 47 -1.621 -3.050 -0.315 341 HA LEU 47 HA LEU 47 -2.177 -0.211 -0.536 342 HB2 LEU 47 HB2 LEU 47 -2.612 -2.605 -2.368 343 HB3 LEU 47 HB3 LEU 47 -3.052 -0.950 -2.820 344 HG LEU 47 HG LEU 47 -0.252 -1.843 -2.086 345 HD11 LEU 47 HD11 LEU 47 0.174 -1.525 -4.507 346 HD12 LEU 47 HD12 LEU 47 -1.054 -2.777 -4.224 347 HD13 LEU 47 HD13 LEU 47 -1.550 -1.149 -4.757 348 HD21 LEU 47 HD21 LEU 47 -0.599 0.536 -1.568 349 HD22 LEU 47 HD22 LEU 47 0.375 0.384 -3.043 350 HD23 LEU 47 HD23 LEU 47 -1.356 0.790 -3.157 351 H ASN 48 H ASN 48 -4.104 -3.156 -0.003 352 HA ASN 48 HA ASN 48 -6.655 -1.950 -0.494 353 HB2 ASN 48 HB2 ASN 48 -6.100 -4.189 1.483 354 HB3 ASN 48 HB3 ASN 48 -7.559 -3.927 0.507 355 HD21 ASN 48 HD22 ASN 48 -4.207 -4.966 0.575 356 HD22 ASN 48 HD21 ASN 48 -4.172 -5.717 -1.009 357 H ASP 49 H ASP 49 -4.502 -2.172 2.284 358 HA ASP 49 HA ASP 49 -6.305 -1.121 4.260 359 HB2 ASP 49 HB2 ASP 49 -4.054 -2.364 4.527 360 HB3 ASP 49 HB3 ASP 49 -3.280 -0.825 4.166 361 H TYR 50 H TYR 50 -4.195 0.333 1.838 362 HA TYR 50 HA TYR 50 -4.565 3.060 2.815 363 HB2 TYR 50 HB2 TYR 50 -2.547 2.281 1.636 364 HB3 TYR 50 HB3 TYR 50 -3.484 1.940 0.192 365 HD1 TYR 50 HD1 TYR 50 -4.443 3.742 -1.169 366 HD2 TYR 50 HD2 TYR 50 -1.919 4.562 2.212 367 HE1 TYR 50 HE1 TYR 50 -4.131 6.065 -1.983 368 HE2 TYR 50 HE2 TYR 50 -1.586 6.891 1.401 369 HH TYR 50 HH TYR 50 -3.144 8.100 -1.593 370 H TYR 51 H TYR 51 -6.047 0.878 0.454 371 HA TYR 51 HA TYR 51 -7.776 2.929 -0.665 372 HB2 TYR 51 HB2 TYR 51 -7.872 -0.102 -0.883 373 HB3 TYR 51 HB3 TYR 51 -8.821 1.029 -1.851 374 HD1 TYR 51 HD1 TYR 51 -6.695 3.135 -2.327 375 HD2 TYR 51 HD2 TYR 51 -6.563 -1.160 -2.581 376 HE1 TYR 51 HE1 TYR 51 -4.869 3.300 -3.976 377 HE2 TYR 51 HE2 TYR 51 -4.725 -1.000 -4.244 378 HH TYR 51 HH TYR 51 -3.426 2.138 -5.355 379 H ASP 52 H ASP 52 -7.735 1.513 2.330 380 HA ASP 52 HA ASP 52 -10.697 1.557 2.633 381 HB2 ASP 52 HB2 ASP 52 -8.384 0.508 4.303 382 HB3 ASP 52 HB3 ASP 52 -10.025 0.626 4.911 383 H LYS 53 H LYS 53 -7.670 3.166 3.525 384 HA LYS 53 HA LYS 53 -9.168 4.850 5.486 385 HB2 LYS 53 HB2 LYS 53 -6.319 3.832 5.512 386 HB3 LYS 53 HB3 LYS 53 -7.020 4.949 6.701 387 HG2 LYS 53 HG2 LYS 53 -8.717 3.283 7.328 388 HG3 LYS 53 HG3 LYS 53 -8.054 2.139 6.132 389 HD2 LYS 53 HD2 LYS 53 -5.891 2.156 7.261 390 HD3 LYS 53 HD3 LYS 53 -6.488 3.359 8.426 391 HE2 LYS 53 HE2 LYS 53 -6.553 1.124 9.429 392 HE3 LYS 53 HE3 LYS 53 -8.198 1.746 9.213 393 HZ1 LYS 53 HZ1 LYS 53 -7.981 -0.548 8.510 394 HZ2 LYS 53 HZ2 LYS 53 -8.369 0.404 7.228 395 HZ3 LYS 53 HZ3 LYS 53 -6.829 -0.138 7.412 396 H GLU 54 H GLU 54 -7.437 4.969 2.516 397 HA GLU 54 HA GLU 54 -7.155 7.917 2.825 398 HB2 GLU 54 HB2 GLU 54 -5.126 6.043 1.564 399 HB3 GLU 54 HB3 GLU 54 -5.018 7.804 1.571 400 HG2 GLU 54 HG2 GLU 54 -4.990 6.043 4.051 401 HG3 GLU 54 HG3 GLU 54 -3.574 6.768 3.287 402 H ILE 55 H ILE 55 -8.893 5.650 1.322 403 HA ILE 55 HA ILE 55 -8.419 6.164 -1.438 404 HB ILE 55 HB ILE 55 -9.505 4.164 -0.588 405 HG12 ILE 55 HG12 ILE 55 -11.354 5.751 -2.403 406 HG13 ILE 55 HG13 ILE 55 -9.838 4.986 -2.920 407 HG21 ILE 55 HG21 ILE 55 -10.810 5.201 1.251 408 HG22 ILE 55 HG22 ILE 55 -11.872 5.977 0.056 409 HG23 ILE 55 HG23 ILE 55 -11.843 4.208 0.213 410 HD11 ILE 55 HD11 ILE 55 -10.724 2.771 -2.210 411 HD12 ILE 55 HD12 ILE 55 -12.275 3.542 -1.787 412 HD13 ILE 55 HD13 ILE 55 -11.718 3.529 -3.470 413 H GLY 56 H GLY 56 -9.704 7.419 -2.937 414 HA2 GLY 56 HA2 GLY 56 -10.294 10.043 -1.873 415 HA3 GLY 56 HA3 GLY 56 -10.373 9.522 -3.564 416 H THR 57 H THR 57 -12.267 7.233 -2.328 417 HA THR 57 HA THR 57 -14.659 8.788 -1.688 418 HB THR 57 HB THR 57 -14.549 8.967 -4.150 419 HG1 THR 57 HG1 THR 57 -16.641 8.125 -4.469 420 HG21 THR 57 HG21 THR 57 -13.349 6.845 -4.632 421 HG22 THR 57 HG22 THR 57 -14.782 5.923 -4.124 422 HG23 THR 57 HG23 THR 57 -14.862 6.980 -5.552 423 H PHE 58 H PHE 58 -16.537 7.358 -1.249 424 HA PHE 58 HA PHE 58 -15.679 4.619 -0.460 425 HB2 PHE 58 HB2 PHE 58 -17.393 6.615 1.049 426 HB3 PHE 58 HB3 PHE 58 -17.134 4.930 1.527 427 HD1 PHE 58 HD2 PHE 58 -14.901 4.139 2.200 428 HD2 PHE 58 HD1 PHE 58 -15.667 8.271 1.343 429 HE1 PHE 58 HE2 PHE 58 -12.773 4.750 3.307 430 HE2 PHE 58 HE1 PHE 58 -13.540 8.904 2.481 431 HZ PHE 58 HZ PHE 58 -12.093 7.141 3.465 432 H THR 59 H THR 59 -17.517 6.272 -2.561 433 HA THR 59 HA THR 59 -19.594 4.145 -2.722 434 HB THR 59 HB THR 59 -21.305 5.829 -3.218 435 HG1 THR 59 HG1 THR 59 -20.838 7.998 -2.780 436 HG21 THR 59 HG21 THR 59 -19.950 6.342 -0.532 437 HG22 THR 59 HG22 THR 59 -21.653 6.663 -0.936 438 HG23 THR 59 HG23 THR 59 -21.048 4.996 -0.888 439 H ASP 60 H ASP 60 -20.774 4.268 -4.849 440 HA ASP 60 HA ASP 60 -18.994 5.260 -7.020 441 HB2 ASP 60 HB2 ASP 60 -18.798 2.787 -6.648 442 HB3 ASP 60 HB3 ASP 60 -20.529 2.631 -6.962 443 H GLU 61 H GLU 61 -21.893 5.729 -5.547 444 HA GLU 61 HA GLU 61 -22.978 6.916 -8.004 445 HB2 GLU 61 HB2 GLU 61 -23.987 4.632 -7.768 446 HB3 GLU 61 HB3 GLU 61 -24.558 5.077 -6.154 447 HG2 GLU 61 HG2 GLU 61 -26.362 5.280 -7.749 448 HG3 GLU 61 HG3 GLU 61 -25.943 6.884 -7.154 449 H VAL 62 H VAL 62 -24.473 8.664 -7.546 450 HA VAL 62 HA VAL 62 -24.776 9.478 -4.734 451 HB VAL 62 HB VAL 62 -22.609 10.408 -5.426 452 HG11 VAL 62 HG11 VAL 62 -23.037 10.617 -7.867 453 HG12 VAL 62 HG12 VAL 62 -24.187 11.936 -7.538 454 HG13 VAL 62 HG13 VAL 62 -22.468 12.140 -7.151 455 HG21 VAL 62 HG21 VAL 62 -24.058 11.624 -3.831 456 HG22 VAL 62 HG22 VAL 62 -23.053 12.723 -4.798 457 HG23 VAL 62 HG23 VAL 62 -24.778 12.530 -5.183 Start of MODEL 10 1 HA ILE 6 HA ILE 6 21.432 -8.964 -5.702 2 HB ILE 6 HB ILE 6 23.654 -8.109 -5.146 3 HG12 ILE 6 HG12 ILE 6 23.755 -7.136 -8.036 4 HG13 ILE 6 HG13 ILE 6 23.623 -6.107 -6.596 5 HG21 ILE 6 HG21 ILE 6 23.709 -9.648 -7.776 6 HG22 ILE 6 HG22 ILE 6 24.949 -9.663 -6.499 7 HG23 ILE 6 HG23 ILE 6 23.354 -10.364 -6.186 8 HD11 ILE 6 HD11 ILE 6 25.958 -7.927 -7.302 9 HD12 ILE 6 HD12 ILE 6 25.934 -6.153 -7.327 10 HD13 ILE 6 HD13 ILE 6 25.797 -7.013 -5.779 11 H LYS 7 H LYS 7 21.987 -7.478 -3.832 12 HA LYS 7 HA LYS 7 20.158 -5.202 -3.994 13 HB2 LYS 7 HB2 LYS 7 21.846 -6.184 -1.659 14 HB3 LYS 7 HB3 LYS 7 20.440 -5.114 -1.585 15 HG2 LYS 7 HG2 LYS 7 20.454 -8.039 -2.438 16 HG3 LYS 7 HG3 LYS 7 19.839 -7.389 -0.906 17 HD2 LYS 7 HD2 LYS 7 18.140 -6.068 -2.175 18 HD3 LYS 7 HD3 LYS 7 18.724 -6.803 -3.686 19 HE2 LYS 7 HE2 LYS 7 18.211 -9.058 -2.775 20 HE3 LYS 7 HE3 LYS 7 17.581 -8.303 -1.300 21 HZ1 LYS 7 HZ1 LYS 7 15.945 -7.183 -2.670 22 HZ2 LYS 7 HZ2 LYS 7 16.519 -7.920 -4.020 23 HZ3 LYS 7 HZ3 LYS 7 15.826 -8.814 -2.835 24 H ARG 8 H ARG 8 21.015 -3.593 -5.158 25 HA ARG 8 HA ARG 8 23.719 -2.670 -5.082 26 HB2 ARG 8 HB2 ARG 8 21.080 -1.405 -5.886 27 HB3 ARG 8 HB3 ARG 8 22.580 -0.471 -5.875 28 HG2 ARG 8 HG2 ARG 8 22.174 -1.307 -8.107 29 HG3 ARG 8 HG3 ARG 8 23.632 -2.049 -7.432 30 HD2 ARG 8 HD2 ARG 8 22.431 -4.125 -6.995 31 HD3 ARG 8 HD3 ARG 8 20.888 -3.360 -7.452 32 HE ARG 8 HE ARG 8 22.913 -3.262 -9.549 33 HH11 ARG 8 HH11 ARG 8 20.403 -5.258 -8.072 34 HH12 ARG 8 HH12 ARG 8 20.054 -6.127 -9.546 35 HH21 ARG 8 HH21 ARG 8 22.486 -4.454 -11.451 36 HH22 ARG 8 HH22 ARG 8 21.255 -5.693 -11.448 37 H LYS 9 H LYS 9 24.506 -0.620 -4.230 38 HA LYS 9 HA LYS 9 23.797 -0.340 -1.422 39 HB2 LYS 9 HB2 LYS 9 25.712 1.280 -1.394 40 HB3 LYS 9 HB3 LYS 9 26.109 -0.344 -1.941 41 HG2 LYS 9 HG2 LYS 9 27.261 1.275 -3.300 42 HG3 LYS 9 HG3 LYS 9 26.089 0.407 -4.296 43 HD2 LYS 9 HD2 LYS 9 24.559 2.325 -4.226 44 HD3 LYS 9 HD3 LYS 9 25.636 3.165 -3.075 45 HE2 LYS 9 HE2 LYS 9 27.435 3.139 -4.780 46 HE3 LYS 9 HE3 LYS 9 26.352 2.324 -5.918 47 HZ1 LYS 9 HZ1 LYS 9 24.907 4.238 -5.819 48 HZ2 LYS 9 HZ2 LYS 9 25.910 5.000 -4.757 49 HZ3 LYS 9 HZ3 LYS 9 26.412 4.691 -6.289 50 H ASP 10 H ASP 10 22.031 0.630 -3.790 51 HA ASP 10 HA ASP 10 21.295 3.137 -2.403 52 HB2 ASP 10 HB2 ASP 10 22.495 3.602 -4.551 53 HB3 ASP 10 HB3 ASP 10 21.238 2.706 -5.416 54 H ALA 11 H ALA 11 20.435 0.200 -2.430 55 HA ALA 11 HA ALA 11 17.527 0.714 -2.766 56 HB1 ALA 11 HB1 ALA 11 17.275 -1.563 -3.679 57 HB2 ALA 11 HB2 ALA 11 18.312 -0.562 -4.725 58 HB3 ALA 11 HB3 ALA 11 19.034 -1.779 -3.648 59 H SER 12 H SER 12 16.205 -0.883 -1.549 60 HA SER 12 HA SER 12 17.532 -2.298 0.652 61 HB2 SER 12 HB2 SER 12 16.848 -0.954 2.373 62 HB3 SER 12 HB3 SER 12 16.927 0.297 1.123 63 HG SER 12 HG SER 12 14.942 0.197 2.354 64 HA PRO 13 HA PRO 13 14.107 -4.976 0.096 65 HB2 PRO 13 HB2 PRO 13 13.290 -5.738 2.597 66 HB3 PRO 13 HB3 PRO 13 14.952 -6.121 2.022 67 HG2 PRO 13 HG2 PRO 13 14.090 -3.689 3.650 68 HG3 PRO 13 HG3 PRO 13 15.347 -4.907 4.092 69 HD2 PRO 13 HD2 PRO 13 16.053 -2.628 2.847 70 HD3 PRO 13 HD3 PRO 13 16.761 -4.177 2.285 71 H GLU 14 H GLU 14 13.632 -2.301 2.313 72 HA GLU 14 HA GLU 14 10.730 -2.309 2.194 73 HB2 GLU 14 HB2 GLU 14 12.797 -0.238 3.061 74 HB3 GLU 14 HB3 GLU 14 11.043 -0.047 3.235 75 HG2 GLU 14 HG2 GLU 14 10.924 -2.027 4.673 76 HG3 GLU 14 HG3 GLU 14 12.660 -2.290 4.466 77 H GLN 15 H GLN 15 13.437 -0.831 0.415 78 HA GLN 15 HA GLN 15 11.863 1.078 -1.036 79 HB2 GLN 15 HB2 GLN 15 14.610 0.313 -0.754 80 HB3 GLN 15 HB3 GLN 15 14.244 0.184 -2.472 81 HG2 GLN 15 HG2 GLN 15 15.000 2.470 -1.792 82 HG3 GLN 15 HG3 GLN 15 13.365 2.448 -2.503 83 HE21 GLN 15 HE22 GLN 15 14.421 1.434 0.763 84 HE22 GLN 15 HE21 GLN 15 13.352 2.497 1.644 85 H GLU 16 H GLU 16 12.593 -2.290 -1.444 86 HA GLU 16 HA GLU 16 11.779 -2.359 -4.229 87 HB2 GLU 16 HB2 GLU 16 12.258 -4.551 -2.160 88 HB3 GLU 16 HB3 GLU 16 11.804 -4.895 -3.844 89 HG2 GLU 16 HG2 GLU 16 13.732 -3.596 -4.643 90 HG3 GLU 16 HG3 GLU 16 14.253 -3.310 -2.984 91 H ALA 17 H ALA 17 10.087 -2.231 -1.290 92 HA ALA 17 HA ALA 17 7.569 -3.139 -2.634 93 HB1 ALA 17 HB1 ALA 17 8.207 -2.815 0.318 94 HB2 ALA 17 HB2 ALA 17 6.665 -3.379 -0.367 95 HB3 ALA 17 HB3 ALA 17 8.141 -4.348 -0.575 96 H ILE 18 H ILE 18 9.236 -0.379 -1.202 97 HA ILE 18 HA ILE 18 6.836 1.241 -0.924 98 HB ILE 18 HB ILE 18 9.819 1.686 -0.666 99 HG12 ILE 18 HG12 ILE 18 7.551 2.048 1.339 100 HG13 ILE 18 HG13 ILE 18 8.371 0.507 1.100 101 HG21 ILE 18 HG21 ILE 18 9.320 4.007 0.104 102 HG22 ILE 18 HG22 ILE 18 8.980 3.774 -1.611 103 HG23 ILE 18 HG23 ILE 18 7.639 3.797 -0.444 104 HD11 ILE 18 HD11 ILE 18 9.661 3.111 2.022 105 HD12 ILE 18 HD12 ILE 18 9.410 1.638 2.981 106 HD13 ILE 18 HD13 ILE 18 10.564 1.627 1.638 107 H GLU 19 H GLU 19 9.350 0.773 -3.460 108 HA GLU 19 HA GLU 19 8.594 3.171 -4.874 109 HB2 GLU 19 HB2 GLU 19 10.070 0.648 -5.686 110 HB3 GLU 19 HB3 GLU 19 9.764 1.992 -6.808 111 HG2 GLU 19 HG2 GLU 19 10.894 3.562 -5.278 112 HG3 GLU 19 HG3 GLU 19 11.249 2.241 -4.159 113 H SER 20 H SER 20 7.387 -0.209 -4.938 114 HA SER 20 HA SER 20 5.732 0.256 -7.275 115 HB2 SER 20 HB2 SER 20 5.837 -1.929 -5.157 116 HB3 SER 20 HB3 SER 20 4.868 -1.992 -6.648 117 HG SER 20 HG SER 20 6.928 -3.022 -6.849 118 H PHE 21 H PHE 21 5.419 0.730 -3.809 119 HA PHE 21 HA PHE 21 2.523 0.739 -3.746 120 HB2 PHE 21 HB2 PHE 21 4.172 0.403 -1.831 121 HB3 PHE 21 HB3 PHE 21 4.555 2.081 -1.919 122 HD1 PHE 21 HD1 PHE 21 2.354 3.714 -1.825 123 HD2 PHE 21 HD2 PHE 21 2.589 -0.275 -0.229 124 HE1 PHE 21 HE1 PHE 21 0.448 4.200 -0.322 125 HE2 PHE 21 HE2 PHE 21 0.679 0.221 1.268 126 HZ PHE 21 HZ PHE 21 -0.394 2.452 1.221 127 H THR 22 H THR 22 5.096 3.192 -3.905 128 HA THR 22 HA THR 22 3.302 5.456 -4.184 129 HB THR 22 HB THR 22 6.138 5.498 -5.134 130 HG1 THR 22 HG1 THR 22 6.336 4.326 -3.224 131 HG21 THR 22 HG21 THR 22 4.819 7.596 -5.071 132 HG22 THR 22 HG22 THR 22 4.483 7.330 -3.343 133 HG23 THR 22 HG23 THR 22 6.142 7.660 -3.879 134 H SER 23 H SER 23 4.174 2.969 -6.317 135 HA SER 23 HA SER 23 4.031 4.676 -8.705 136 HB2 SER 23 HB2 SER 23 4.283 1.700 -8.291 137 HB3 SER 23 HB3 SER 23 4.178 2.439 -9.894 138 HG SER 23 HG SER 23 6.202 2.843 -7.960 139 H LEU 24 H LEU 24 1.959 2.859 -6.611 140 HA LEU 24 HA LEU 24 -0.221 2.765 -8.646 141 HB2 LEU 24 HB2 LEU 24 0.357 1.132 -6.146 142 HB3 LEU 24 HB3 LEU 24 -1.161 1.054 -7.056 143 HG LEU 24 HG LEU 24 1.595 0.464 -8.240 144 HD11 LEU 24 HD11 LEU 24 0.988 -1.200 -6.553 145 HD12 LEU 24 HD12 LEU 24 -0.613 -1.414 -7.306 146 HD13 LEU 24 HD13 LEU 24 0.862 -1.903 -8.175 147 HD21 LEU 24 HD21 LEU 24 -0.043 1.195 -9.936 148 HD22 LEU 24 HD22 LEU 24 0.276 -0.541 -10.086 149 HD23 LEU 24 HD23 LEU 24 -1.224 0.024 -9.312 150 H THR 25 H THR 25 0.869 4.204 -5.706 151 HA THR 25 HA THR 25 -1.722 5.642 -5.563 152 HB THR 25 HB THR 25 -1.450 5.903 -3.158 153 HG1 THR 25 HG1 THR 25 0.791 4.210 -3.471 154 HG21 THR 25 HG21 THR 25 -1.851 3.608 -2.421 155 HG22 THR 25 HG22 THR 25 -2.696 3.920 -3.952 156 HG23 THR 25 HG23 THR 25 -1.185 2.977 -3.948 157 H LYS 26 H LYS 26 -1.357 7.923 -4.685 158 HA LYS 26 HA LYS 26 1.254 8.894 -5.752 159 HB2 LYS 26 HB2 LYS 26 -1.458 10.250 -5.854 160 HB3 LYS 26 HB3 LYS 26 0.059 10.927 -6.464 161 HG2 LYS 26 HG2 LYS 26 -1.299 8.382 -7.449 162 HG3 LYS 26 HG3 LYS 26 -1.263 9.932 -8.288 163 HD2 LYS 26 HD2 LYS 26 1.152 8.163 -7.666 164 HD3 LYS 26 HD3 LYS 26 0.391 8.358 -9.240 165 HE2 LYS 26 HE2 LYS 26 1.728 10.579 -7.637 166 HE3 LYS 26 HE3 LYS 26 2.459 9.712 -8.994 167 HZ1 LYS 26 HZ1 LYS 26 0.030 11.367 -9.151 168 HZ2 LYS 26 HZ2 LYS 26 1.518 11.789 -9.698 169 HZ3 LYS 26 HZ3 LYS 26 0.710 10.545 -10.401 170 H CYS 27 H CYS 27 0.563 8.110 -2.961 171 HA CYS 27 HA CYS 27 0.778 10.636 -1.494 172 HB2 CYS 27 HB2 CYS 27 -0.410 8.507 -0.726 173 HB3 CYS 27 HB3 CYS 27 1.209 7.822 -0.446 174 HG CYS 27 HG CYS 27 -0.116 10.622 0.730 175 H ASP 28 H ASP 28 2.675 10.217 0.384 176 HA ASP 28 HA ASP 28 5.159 10.491 -1.128 177 HB2 ASP 28 HB2 ASP 28 4.420 10.757 1.806 178 HB3 ASP 28 HB3 ASP 28 6.035 11.061 1.160 179 HA PRO 29 HA PRO 29 6.664 6.374 -0.546 180 HB2 PRO 29 HB2 PRO 29 9.213 7.768 0.301 181 HB3 PRO 29 HB3 PRO 29 9.022 6.408 -0.836 182 HG2 PRO 29 HG2 PRO 29 9.398 8.914 -1.793 183 HG3 PRO 29 HG3 PRO 29 8.052 7.951 -2.500 184 HD2 PRO 29 HD2 PRO 29 7.910 9.996 -0.246 185 HD3 PRO 29 HD3 PRO 29 6.905 9.916 -1.723 186 H LYS 30 H LYS 30 7.133 8.828 1.916 187 HA LYS 30 HA LYS 30 8.153 7.070 3.936 188 HB2 LYS 30 HB2 LYS 30 7.186 9.924 3.741 189 HB3 LYS 30 HB3 LYS 30 7.406 9.208 5.362 190 HG2 LYS 30 HG2 LYS 30 9.386 10.391 4.768 191 HG3 LYS 30 HG3 LYS 30 9.715 8.660 4.882 192 HD2 LYS 30 HD2 LYS 30 9.749 8.456 2.445 193 HD3 LYS 30 HD3 LYS 30 9.250 10.169 2.269 194 HE2 LYS 30 HE2 LYS 30 11.244 10.851 3.545 195 HE3 LYS 30 HE3 LYS 30 11.723 9.156 3.718 196 HZ1 LYS 30 HZ1 LYS 30 12.901 10.233 1.915 197 HZ2 LYS 30 HZ2 LYS 30 11.942 9.037 1.322 198 HZ3 LYS 30 HZ3 LYS 30 11.497 10.618 1.162 199 H VAL 31 H VAL 31 4.992 7.743 2.713 200 HA VAL 31 HA VAL 31 3.599 6.764 5.140 201 HB VAL 31 HB VAL 31 2.629 7.734 2.423 202 HG11 VAL 31 HG11 VAL 31 1.082 6.936 4.923 203 HG12 VAL 31 HG12 VAL 31 0.390 7.771 3.515 204 HG13 VAL 31 HG13 VAL 31 1.034 6.132 3.333 205 HG21 VAL 31 HG21 VAL 31 1.838 9.681 3.765 206 HG22 VAL 31 HG22 VAL 31 2.593 8.984 5.207 207 HG23 VAL 31 HG23 VAL 31 3.602 9.508 3.840 208 H SER 32 H SER 32 4.806 5.683 1.987 209 HA SER 32 HA SER 32 3.210 3.309 1.783 210 HB2 SER 32 HB2 SER 32 6.038 3.834 0.801 211 HB3 SER 32 HB3 SER 32 4.903 2.612 0.176 212 HG SER 32 HG SER 32 4.986 4.568 -1.071 213 H ARG 33 H ARG 33 6.245 4.129 3.445 214 HA ARG 33 HA ARG 33 6.986 1.482 4.284 215 HB2 ARG 33 HB2 ARG 33 8.552 3.367 4.281 216 HB3 ARG 33 HB3 ARG 33 7.486 4.305 5.332 217 HG2 ARG 33 HG2 ARG 33 7.884 2.724 7.193 218 HG3 ARG 33 HG3 ARG 33 8.932 1.746 6.144 219 HD2 ARG 33 HD2 ARG 33 10.280 3.226 7.546 220 HD3 ARG 33 HD3 ARG 33 10.436 3.682 5.842 221 HE ARG 33 HE ARG 33 8.325 5.183 7.086 222 HH11 ARG 33 HH11 ARG 33 11.847 4.943 6.965 223 HH12 ARG 33 HH12 ARG 33 12.094 6.629 7.360 224 HH21 ARG 33 HH21 ARG 33 8.676 7.376 7.594 225 HH22 ARG 33 HH22 ARG 33 10.308 8.000 7.704 226 H LYS 34 H LYS 34 4.680 3.837 5.455 227 HA LYS 34 HA LYS 34 4.373 2.613 8.092 228 HB2 LYS 34 HB2 LYS 34 4.177 5.025 7.784 229 HB3 LYS 34 HB3 LYS 34 2.989 4.807 6.501 230 HG2 LYS 34 HG2 LYS 34 1.411 3.801 8.187 231 HG3 LYS 34 HG3 LYS 34 2.559 4.313 9.462 232 HD2 LYS 34 HD2 LYS 34 2.430 6.639 8.616 233 HD3 LYS 34 HD3 LYS 34 1.335 6.122 7.327 234 HE2 LYS 34 HE2 LYS 34 0.770 6.069 10.310 235 HE3 LYS 34 HE3 LYS 34 0.077 7.162 9.094 236 HZ1 LYS 34 HZ1 LYS 34 -1.424 5.377 9.615 237 HZ2 LYS 34 HZ2 LYS 34 -0.937 5.250 8.050 238 HZ3 LYS 34 HZ3 LYS 34 -0.318 4.243 9.194 239 H TYR 35 H TYR 35 2.690 2.520 4.943 240 HA TYR 35 HA TYR 35 0.529 0.915 6.139 241 HB2 TYR 35 HB2 TYR 35 0.953 2.264 3.495 242 HB3 TYR 35 HB3 TYR 35 -0.211 0.943 3.631 243 HD1 TYR 35 HD2 TYR 35 -2.215 1.108 4.958 244 HD2 TYR 35 HD1 TYR 35 0.544 4.400 4.700 245 HE1 TYR 35 HE2 TYR 35 -3.921 2.607 5.950 246 HE2 TYR 35 HE1 TYR 35 -1.155 5.909 5.695 247 HH TYR 35 HH TYR 35 -3.299 6.083 6.537 248 H LEU 36 H LEU 36 3.623 0.234 4.920 249 HA LEU 36 HA LEU 36 2.802 -2.531 4.175 250 HB2 LEU 36 HB2 LEU 36 5.386 -0.932 4.074 251 HB3 LEU 36 HB3 LEU 36 5.372 -2.686 3.831 252 HG LEU 36 HG LEU 36 3.589 -0.874 2.186 253 HD11 LEU 36 HD11 LEU 36 6.416 -1.808 1.529 254 HD12 LEU 36 HD12 LEU 36 5.320 -0.921 0.437 255 HD13 LEU 36 HD13 LEU 36 5.951 -0.131 1.896 256 HD21 LEU 36 HD21 LEU 36 3.201 -3.387 2.286 257 HD22 LEU 36 HD22 LEU 36 3.608 -2.784 0.666 258 HD23 LEU 36 HD23 LEU 36 4.844 -3.603 1.645 259 H GLN 37 H GLN 37 3.652 -0.675 6.882 260 HA GLN 37 HA GLN 37 5.085 -2.805 8.286 261 HB2 GLN 37 HB2 GLN 37 4.873 0.067 8.415 262 HB3 GLN 37 HB3 GLN 37 4.597 -0.631 10.034 263 HG2 GLN 37 HG2 GLN 37 6.700 -1.778 9.972 264 HG3 GLN 37 HG3 GLN 37 6.803 -1.595 8.215 265 HE21 GLN 37 HE22 GLN 37 9.020 -0.907 8.842 266 HE22 GLN 37 HE21 GLN 37 9.236 0.823 8.984 267 H ARG 38 H ARG 38 1.901 -2.311 7.663 268 HA ARG 38 HA ARG 38 1.063 -3.536 10.263 269 HB2 ARG 38 HB2 ARG 38 -0.987 -2.338 8.476 270 HB3 ARG 38 HB3 ARG 38 -0.905 -2.348 10.231 271 HG2 ARG 38 HG2 ARG 38 0.675 -0.560 8.340 272 HG3 ARG 38 HG3 ARG 38 -0.754 -0.085 9.254 273 HD2 ARG 38 HD2 ARG 38 1.899 -0.922 10.496 274 HD3 ARG 38 HD3 ARG 38 1.291 0.731 10.352 275 HE ARG 38 HE ARG 38 -0.546 0.138 11.862 276 HH11 ARG 38 HH11 ARG 38 2.198 -2.114 11.787 277 HH12 ARG 38 HH12 ARG 38 1.856 -2.732 13.384 278 HH21 ARG 38 HH21 ARG 38 -0.955 -0.715 13.910 279 HH22 ARG 38 HH22 ARG 38 0.075 -1.957 14.574 280 H ASN 39 H ASN 39 1.901 -4.344 7.208 281 HA ASN 39 HA ASN 39 -0.258 -6.342 6.854 282 HB2 ASN 39 HB2 ASN 39 0.711 -4.325 4.793 283 HB3 ASN 39 HB3 ASN 39 -0.474 -5.595 4.486 284 HD21 ASN 39 HD22 ASN 39 0.065 -2.405 5.621 285 HD22 ASN 39 HD21 ASN 39 -1.500 -2.058 6.299 286 H HIS 40 H HIS 40 2.549 -6.590 7.728 287 HA HIS 40 HA HIS 40 4.323 -7.937 7.376 288 HB2 HIS 40 HB2 HIS 40 2.584 -9.545 5.507 289 HB3 HIS 40 HB3 HIS 40 3.851 -10.121 6.598 290 HD2 HIS 40 HD2 HIS 40 0.258 -10.174 6.332 291 HE1 HIS 40 HE1 HIS 40 0.785 -9.713 10.525 292 HE2 HIS 40 HE2 HIS 40 -0.877 -10.314 8.685 293 H TRP 41 H TRP 41 4.017 -5.655 5.545 294 HA TRP 41 HA TRP 41 4.930 -4.767 3.719 295 HB2 TRP 41 HB2 TRP 41 7.050 -6.805 4.420 296 HB3 TRP 41 HB3 TRP 41 7.245 -5.612 3.149 297 HD1 TRP 41 HD1 TRP 41 6.723 -5.732 6.946 298 HE1 TRP 41 HE1 TRP 41 7.503 -3.506 7.955 299 HE3 TRP 41 HE3 TRP 41 7.892 -3.381 2.659 300 HZ2 TRP 41 HZ2 TRP 41 8.238 -0.841 6.926 301 HZ3 TRP 41 HZ3 TRP 41 8.667 -0.994 2.647 302 HH2 TRP 41 HH2 TRP 41 8.842 0.255 4.769 303 H ASN 42 H ASN 42 2.974 -7.022 3.225 304 HA ASN 42 HA ASN 42 3.756 -7.722 0.468 305 HB2 ASN 42 HB2 ASN 42 1.391 -8.318 2.287 306 HB3 ASN 42 HB3 ASN 42 1.268 -8.532 0.546 307 HD21 ASN 42 HD22 ASN 42 0.850 -10.789 1.137 308 HD22 ASN 42 HD21 ASN 42 2.232 -11.854 1.286 309 H ILE 43 H ILE 43 3.371 -6.318 -1.198 310 HA ILE 43 HA ILE 43 1.834 -3.922 -0.730 311 HB ILE 43 HB ILE 43 3.248 -5.200 -3.065 312 HG12 ILE 43 HG12 ILE 43 4.328 -3.670 -1.335 313 HG13 ILE 43 HG13 ILE 43 4.505 -3.093 -3.011 314 HG21 ILE 43 HG21 ILE 43 1.277 -2.893 -3.348 315 HG22 ILE 43 HG22 ILE 43 2.501 -3.338 -4.556 316 HG23 ILE 43 HG23 ILE 43 1.201 -4.475 -4.160 317 HD11 ILE 43 HD11 ILE 43 2.911 -1.414 -2.730 318 HD12 ILE 43 HD12 ILE 43 2.286 -2.105 -1.208 319 HD13 ILE 43 HD13 ILE 43 3.922 -1.424 -1.255 320 H ASN 44 H ASN 44 0.954 -7.172 -1.497 321 HA ASN 44 HA ASN 44 -1.508 -6.311 -2.814 322 HB2 ASN 44 HB2 ASN 44 -0.475 -9.049 -1.946 323 HB3 ASN 44 HB3 ASN 44 -1.945 -8.794 -2.895 324 HD21 ASN 44 HD22 ASN 44 0.401 -10.335 -3.684 325 HD22 ASN 44 HD21 ASN 44 1.039 -9.573 -5.128 326 H TYR 45 H TYR 45 -0.450 -6.539 0.347 327 HA TYR 45 HA TYR 45 -3.214 -6.874 1.440 328 HB2 TYR 45 HB2 TYR 45 -0.421 -7.317 2.586 329 HB3 TYR 45 HB3 TYR 45 -1.869 -7.388 3.555 330 HD1 TYR 45 HD2 TYR 45 -3.096 -8.857 0.716 331 HD2 TYR 45 HD1 TYR 45 -0.137 -9.569 3.753 332 HE1 TYR 45 HE2 TYR 45 -3.254 -11.295 0.297 333 HE2 TYR 45 HE1 TYR 45 -0.303 -12.012 3.350 334 HH TYR 45 HH TYR 45 -1.308 -13.677 2.129 335 H ALA 46 H ALA 46 -0.552 -4.728 0.881 336 HA ALA 46 HA ALA 46 -1.180 -2.992 3.174 337 HB1 ALA 46 HB1 ALA 46 0.925 -2.982 0.993 338 HB2 ALA 46 HB2 ALA 46 0.857 -1.806 2.333 339 HB3 ALA 46 HB3 ALA 46 1.121 -3.534 2.678 340 H LEU 47 H LEU 47 -1.645 -3.055 -0.369 341 HA LEU 47 HA LEU 47 -2.218 -0.218 -0.523 342 HB2 LEU 47 HB2 LEU 47 -2.769 -2.586 -2.356 343 HB3 LEU 47 HB3 LEU 47 -3.215 -0.923 -2.769 344 HG LEU 47 HG LEU 47 -0.385 -1.828 -2.157 345 HD11 LEU 47 HD11 LEU 47 -1.275 -2.787 -4.258 346 HD12 LEU 47 HD12 LEU 47 -1.791 -1.166 -4.786 347 HD13 LEU 47 HD13 LEU 47 -0.059 -1.533 -4.594 348 HD21 LEU 47 HD21 LEU 47 0.210 0.383 -3.150 349 HD22 LEU 47 HD22 LEU 47 -1.515 0.792 -3.238 350 HD23 LEU 47 HD23 LEU 47 -0.723 0.554 -1.656 351 H ASN 48 H ASN 48 -4.116 -3.146 0.168 352 HA ASN 48 HA ASN 48 -6.695 -1.934 -0.145 353 HB2 ASN 48 HB2 ASN 48 -5.965 -4.151 1.804 354 HB3 ASN 48 HB3 ASN 48 -7.514 -3.899 0.968 355 HD21 ASN 48 HD22 ASN 48 -4.183 -4.945 0.791 356 HD22 ASN 48 HD21 ASN 48 -4.252 -5.702 -0.787 357 H ASP 49 H ASP 49 -4.343 -2.127 2.475 358 HA ASP 49 HA ASP 49 -6.005 -1.081 4.571 359 HB2 ASP 49 HB2 ASP 49 -3.729 -2.294 4.681 360 HB3 ASP 49 HB3 ASP 49 -2.990 -0.754 4.260 361 H TYR 50 H TYR 50 -4.089 0.404 2.005 362 HA TYR 50 HA TYR 50 -4.464 3.128 2.997 363 HB2 TYR 50 HB2 TYR 50 -2.496 2.386 1.702 364 HB3 TYR 50 HB3 TYR 50 -3.520 2.019 0.321 365 HD1 TYR 50 HD1 TYR 50 -2.034 4.728 2.346 366 HD2 TYR 50 HD2 TYR 50 -4.457 3.766 -1.077 367 HE1 TYR 50 HE1 TYR 50 -1.817 7.065 1.544 368 HE2 TYR 50 HE2 TYR 50 -4.243 6.101 -1.889 369 HH TYR 50 HH TYR 50 -2.407 8.588 -0.068 370 H TYR 51 H TYR 51 -6.022 0.897 0.735 371 HA TYR 51 HA TYR 51 -7.843 2.904 -0.315 372 HB2 TYR 51 HB2 TYR 51 -7.907 -0.130 -0.481 373 HB3 TYR 51 HB3 TYR 51 -8.922 0.974 -1.417 374 HD1 TYR 51 HD2 TYR 51 -6.778 3.090 -1.973 375 HD2 TYR 51 HD1 TYR 51 -6.769 -1.197 -2.308 376 HE1 TYR 51 HE2 TYR 51 -5.045 3.242 -3.720 377 HE2 TYR 51 HE1 TYR 51 -5.018 -1.056 -4.063 378 HH TYR 51 HH TYR 51 -3.708 0.319 -5.335 379 H ASP 52 H ASP 52 -7.635 1.464 2.685 380 HA ASP 52 HA ASP 52 -10.572 1.469 3.140 381 HB2 ASP 52 HB2 ASP 52 -8.143 0.496 4.692 382 HB3 ASP 52 HB3 ASP 52 -9.744 0.573 5.397 383 H LYS 53 H LYS 53 -7.539 3.154 3.892 384 HA LYS 53 HA LYS 53 -8.993 4.797 5.918 385 HB2 LYS 53 HB2 LYS 53 -6.114 3.868 5.818 386 HB3 LYS 53 HB3 LYS 53 -6.798 4.963 7.038 387 HG2 LYS 53 HG2 LYS 53 -8.413 3.245 7.729 388 HG3 LYS 53 HG3 LYS 53 -7.782 2.130 6.495 389 HD2 LYS 53 HD2 LYS 53 -5.556 2.222 7.537 390 HD3 LYS 53 HD3 LYS 53 -6.163 3.375 8.747 391 HE2 LYS 53 HE2 LYS 53 -6.094 1.139 9.723 392 HE3 LYS 53 HE3 LYS 53 -7.774 1.671 9.561 393 HZ1 LYS 53 HZ1 LYS 53 -7.932 0.356 7.562 394 HZ2 LYS 53 HZ2 LYS 53 -6.368 -0.125 7.697 395 HZ3 LYS 53 HZ3 LYS 53 -7.470 -0.592 8.825 396 H GLU 54 H GLU 54 -7.411 4.989 2.871 397 HA GLU 54 HA GLU 54 -7.165 7.934 3.186 398 HB2 GLU 54 HB2 GLU 54 -5.098 6.097 1.931 399 HB3 GLU 54 HB3 GLU 54 -5.028 7.860 1.910 400 HG2 GLU 54 HG2 GLU 54 -4.960 6.146 4.424 401 HG3 GLU 54 HG3 GLU 54 -3.556 6.870 3.632 402 H ILE 55 H ILE 55 -8.913 5.707 1.693 403 HA ILE 55 HA ILE 55 -8.379 6.111 -1.063 404 HB ILE 55 HB ILE 55 -9.553 4.179 -0.138 405 HG12 ILE 55 HG12 ILE 55 -11.278 5.748 -2.085 406 HG13 ILE 55 HG13 ILE 55 -9.809 4.848 -2.514 407 HG21 ILE 55 HG21 ILE 55 -11.891 4.326 0.613 408 HG22 ILE 55 HG22 ILE 55 -10.863 5.360 1.614 409 HG23 ILE 55 HG23 ILE 55 -11.883 6.080 0.351 410 HD11 ILE 55 HD11 ILE 55 -10.862 2.752 -1.701 411 HD12 ILE 55 HD12 ILE 55 -12.360 3.652 -1.356 412 HD13 ILE 55 HD13 ILE 55 -11.779 3.508 -3.024 413 H GLY 56 H GLY 56 -9.419 7.373 -2.624 414 HA2 GLY 56 HA2 GLY 56 -10.243 10.007 -1.648 415 HA3 GLY 56 HA3 GLY 56 -9.874 9.538 -3.317 416 H THR 57 H THR 57 -12.016 7.231 -2.148 417 HA THR 57 HA THR 57 -14.449 8.765 -2.792 418 HB THR 57 HB THR 57 -13.515 8.091 -4.972 419 HG1 THR 57 HG1 THR 57 -15.418 7.094 -5.661 420 HG21 THR 57 HG21 THR 57 -13.482 5.714 -5.612 421 HG22 THR 57 HG22 THR 57 -12.332 6.022 -4.294 422 HG23 THR 57 HG23 THR 57 -13.896 5.245 -3.946 423 H PHE 58 H PHE 58 -16.424 7.422 -2.552 424 HA PHE 58 HA PHE 58 -16.044 5.306 -0.495 425 HB2 PHE 58 HB2 PHE 58 -18.064 7.563 -0.588 426 HB3 PHE 58 HB3 PHE 58 -18.053 6.239 0.590 427 HD1 PHE 58 HD1 PHE 58 -16.217 6.020 2.229 428 HD2 PHE 58 HD2 PHE 58 -16.441 9.355 -0.470 429 HE1 PHE 58 HE1 PHE 58 -14.551 7.224 3.593 430 HE2 PHE 58 HE2 PHE 58 -14.799 10.595 0.922 431 HZ PHE 58 HZ PHE 58 -13.846 9.530 2.961 432 H THR 59 H THR 59 -16.880 5.740 -3.570 433 HA THR 59 HA THR 59 -19.080 3.719 -3.478 434 HB THR 59 HB THR 59 -19.953 5.897 -4.142 435 HG1 THR 59 HG1 THR 59 -20.873 4.122 -5.095 436 HG21 THR 59 HG21 THR 59 -19.266 6.904 -6.304 437 HG22 THR 59 HG22 THR 59 -17.941 6.914 -5.123 438 HG23 THR 59 HG23 THR 59 -17.959 5.710 -6.433 439 H ASP 60 H ASP 60 -19.220 2.332 -5.385 440 HA ASP 60 HA ASP 60 -16.513 1.695 -6.441 441 HB2 ASP 60 HB2 ASP 60 -17.237 -0.608 -6.528 442 HB3 ASP 60 HB3 ASP 60 -17.484 0.026 -4.898 443 H GLU 61 H GLU 61 -18.944 3.452 -7.483 444 HA GLU 61 HA GLU 61 -18.777 2.307 -10.225 445 HB2 GLU 61 HB2 GLU 61 -21.134 3.709 -8.903 446 HB3 GLU 61 HB3 GLU 61 -21.042 3.264 -10.618 447 HG2 GLU 61 HG2 GLU 61 -20.746 0.888 -9.959 448 HG3 GLU 61 HG3 GLU 61 -20.936 1.343 -8.259 449 H VAL 62 H VAL 62 -18.963 3.883 -11.956 450 HA VAL 62 HA VAL 62 -18.405 6.682 -11.282 451 HB VAL 62 HB VAL 62 -16.192 5.620 -11.234 452 HG11 VAL 62 HG11 VAL 62 -15.205 4.636 -13.252 453 HG12 VAL 62 HG12 VAL 62 -16.633 3.711 -12.752 454 HG13 VAL 62 HG13 VAL 62 -16.736 4.837 -14.128 455 HG21 VAL 62 HG21 VAL 62 -16.599 7.307 -13.734 456 HG22 VAL 62 HG22 VAL 62 -16.442 7.931 -12.074 457 HG23 VAL 62 HG23 VAL 62 -15.081 7.081 -12.835 Start of MODEL 11 1 HA ILE 6 HA ILE 6 17.890 -8.574 -6.257 2 HB ILE 6 HB ILE 6 17.609 -6.062 -6.090 3 HG12 ILE 6 HG12 ILE 6 17.169 -5.126 -3.854 4 HG13 ILE 6 HG13 ILE 6 17.780 -6.597 -3.091 5 HG21 ILE 6 HG21 ILE 6 15.935 -7.809 -4.245 6 HG22 ILE 6 HG22 ILE 6 15.431 -6.290 -5.005 7 HG23 ILE 6 HG23 ILE 6 15.770 -7.715 -6.016 8 HD11 ILE 6 HD11 ILE 6 20.031 -6.150 -3.921 9 HD12 ILE 6 HD12 ILE 6 19.426 -4.782 -4.898 10 HD13 ILE 6 HD13 ILE 6 19.415 -4.699 -3.124 11 H LYS 7 H LYS 7 18.920 -6.836 -7.721 12 HA LYS 7 HA LYS 7 21.863 -6.947 -7.292 13 HB2 LYS 7 HB2 LYS 7 22.121 -7.188 -9.701 14 HB3 LYS 7 HB3 LYS 7 21.113 -8.490 -9.047 15 HG2 LYS 7 HG2 LYS 7 19.070 -7.252 -9.750 16 HG3 LYS 7 HG3 LYS 7 20.097 -5.992 -10.468 17 HD2 LYS 7 HD2 LYS 7 20.059 -8.927 -11.274 18 HD3 LYS 7 HD3 LYS 7 19.285 -7.597 -12.158 19 HE2 LYS 7 HE2 LYS 7 21.482 -6.499 -12.451 20 HE3 LYS 7 HE3 LYS 7 22.274 -7.849 -11.620 21 HZ1 LYS 7 HZ1 LYS 7 22.373 -8.102 -13.991 22 HZ2 LYS 7 HZ2 LYS 7 21.458 -9.310 -13.349 23 HZ3 LYS 7 HZ3 LYS 7 20.735 -8.057 -14.120 24 H ARG 8 H ARG 8 19.424 -4.833 -7.099 25 HA ARG 8 HA ARG 8 20.421 -2.626 -8.700 26 HB2 ARG 8 HB2 ARG 8 18.498 -2.726 -6.344 27 HB3 ARG 8 HB3 ARG 8 18.763 -1.311 -7.397 28 HG2 ARG 8 HG2 ARG 8 17.965 -2.551 -9.322 29 HG3 ARG 8 HG3 ARG 8 17.761 -4.002 -8.311 30 HD2 ARG 8 HD2 ARG 8 15.594 -2.937 -8.571 31 HD3 ARG 8 HD3 ARG 8 16.132 -2.758 -6.892 32 HE ARG 8 HE ARG 8 16.751 -0.529 -8.738 33 HH11 ARG 8 HH11 ARG 8 14.567 -1.795 -6.232 34 HH12 ARG 8 HH12 ARG 8 13.948 -0.206 -5.849 35 HH21 ARG 8 HH21 ARG 8 15.845 1.496 -8.229 36 HH22 ARG 8 HH22 ARG 8 14.614 1.614 -6.991 37 H LYS 9 H LYS 9 21.309 -0.613 -7.799 38 HA LYS 9 HA LYS 9 23.122 -1.210 -5.520 39 HB2 LYS 9 HB2 LYS 9 23.436 0.808 -7.782 40 HB3 LYS 9 HB3 LYS 9 24.639 0.434 -6.545 41 HG2 LYS 9 HG2 LYS 9 23.626 -1.450 -8.717 42 HG3 LYS 9 HG3 LYS 9 25.216 -0.670 -8.641 43 HD2 LYS 9 HD2 LYS 9 25.654 -1.880 -6.482 44 HD3 LYS 9 HD3 LYS 9 24.126 -2.758 -6.710 45 HE2 LYS 9 HE2 LYS 9 26.516 -2.774 -8.601 46 HE3 LYS 9 HE3 LYS 9 26.040 -4.085 -7.509 47 HZ1 LYS 9 HZ1 LYS 9 25.260 -4.484 -9.722 48 HZ2 LYS 9 HZ2 LYS 9 23.964 -4.242 -8.744 49 HZ3 LYS 9 HZ3 LYS 9 24.451 -3.052 -9.765 50 H ASP 10 H ASP 10 20.269 0.159 -5.817 51 HA ASP 10 HA ASP 10 20.902 2.177 -3.759 52 HB2 ASP 10 HB2 ASP 10 19.315 2.648 -6.320 53 HB3 ASP 10 HB3 ASP 10 19.267 3.721 -4.916 54 H ALA 11 H ALA 11 19.556 -0.561 -4.047 55 HA ALA 11 HA ALA 11 16.789 0.150 -3.204 56 HB1 ALA 11 HB1 ALA 11 16.201 -2.126 -3.862 57 HB2 ALA 11 HB2 ALA 11 17.025 -1.281 -5.190 58 HB3 ALA 11 HB3 ALA 11 17.911 -2.480 -4.212 59 H SER 12 H SER 12 15.758 -1.325 -1.664 60 HA SER 12 HA SER 12 17.426 -2.714 0.305 61 HB2 SER 12 HB2 SER 12 17.059 -1.294 2.088 62 HB3 SER 12 HB3 SER 12 17.100 -0.097 0.803 63 HG SER 12 HG SER 12 15.270 0.010 2.269 64 HA PRO 13 HA PRO 13 13.816 -5.223 0.479 65 HB2 PRO 13 HB2 PRO 13 13.086 -5.570 3.077 66 HB3 PRO 13 HB3 PRO 13 14.656 -6.213 2.471 67 HG2 PRO 13 HG2 PRO 13 14.175 -3.538 3.854 68 HG3 PRO 13 HG3 PRO 13 15.354 -4.819 4.332 69 HD2 PRO 13 HD2 PRO 13 16.153 -2.766 2.810 70 HD3 PRO 13 HD3 PRO 13 16.658 -4.422 2.341 71 H GLU 14 H GLU 14 13.631 -2.289 2.426 72 HA GLU 14 HA GLU 14 10.717 -2.182 2.438 73 HB2 GLU 14 HB2 GLU 14 12.905 -0.182 3.146 74 HB3 GLU 14 HB3 GLU 14 11.170 0.113 3.362 75 HG2 GLU 14 HG2 GLU 14 10.998 -1.826 4.878 76 HG3 GLU 14 HG3 GLU 14 12.722 -2.138 4.661 77 H GLN 15 H GLN 15 13.422 -0.871 0.523 78 HA GLN 15 HA GLN 15 11.877 1.057 -0.930 79 HB2 GLN 15 HB2 GLN 15 14.598 0.114 -0.785 80 HB3 GLN 15 HB3 GLN 15 14.114 0.073 -2.481 81 HG2 GLN 15 HG2 GLN 15 15.061 2.274 -1.783 82 HG3 GLN 15 HG3 GLN 15 13.377 2.380 -2.384 83 HE21 GLN 15 HE22 GLN 15 14.631 1.231 0.776 84 HE22 GLN 15 HE21 GLN 15 13.674 2.320 1.749 85 H GLU 16 H GLU 16 12.457 -2.364 -1.293 86 HA GLU 16 HA GLU 16 11.768 -2.456 -4.088 87 HB2 GLU 16 HB2 GLU 16 11.872 -4.542 -1.882 88 HB3 GLU 16 HB3 GLU 16 11.316 -4.969 -3.509 89 HG2 GLU 16 HG2 GLU 16 13.986 -3.626 -2.958 90 HG3 GLU 16 HG3 GLU 16 13.752 -5.376 -3.075 91 H ALA 17 H ALA 17 9.857 -2.568 -1.132 92 HA ALA 17 HA ALA 17 7.403 -2.928 -2.773 93 HB1 ALA 17 HB1 ALA 17 7.776 -2.890 0.238 94 HB2 ALA 17 HB2 ALA 17 6.244 -3.182 -0.627 95 HB3 ALA 17 HB3 ALA 17 7.597 -4.328 -0.791 96 H ILE 18 H ILE 18 9.185 -0.392 -1.046 97 HA ILE 18 HA ILE 18 6.896 1.380 -0.876 98 HB ILE 18 HB ILE 18 9.885 1.708 -0.556 99 HG12 ILE 18 HG12 ILE 18 7.574 2.152 1.389 100 HG13 ILE 18 HG13 ILE 18 8.367 0.593 1.187 101 HG21 ILE 18 HG21 ILE 18 9.456 4.041 0.179 102 HG22 ILE 18 HG22 ILE 18 9.082 3.812 -1.537 103 HG23 ILE 18 HG23 ILE 18 7.762 3.890 -0.351 104 HD11 ILE 18 HD11 ILE 18 9.696 3.176 2.117 105 HD12 ILE 18 HD12 ILE 18 9.372 1.719 3.085 106 HD13 ILE 18 HD13 ILE 18 10.568 1.664 1.784 107 H GLU 19 H GLU 19 9.446 0.765 -3.335 108 HA GLU 19 HA GLU 19 8.792 3.173 -4.800 109 HB2 GLU 19 HB2 GLU 19 10.350 0.662 -5.497 110 HB3 GLU 19 HB3 GLU 19 10.147 2.026 -6.614 111 HG2 GLU 19 HG2 GLU 19 11.190 3.557 -5.025 112 HG3 GLU 19 HG3 GLU 19 11.339 2.274 -3.824 113 H SER 20 H SER 20 7.467 -0.136 -4.769 114 HA SER 20 HA SER 20 6.004 0.395 -7.279 115 HB2 SER 20 HB2 SER 20 6.419 -2.032 -5.496 116 HB3 SER 20 HB3 SER 20 5.323 -2.009 -6.891 117 HG SER 20 HG SER 20 8.115 -1.475 -6.905 118 H PHE 21 H PHE 21 5.510 0.452 -3.791 119 HA PHE 21 HA PHE 21 2.617 0.240 -3.927 120 HB2 PHE 21 HB2 PHE 21 3.959 -0.237 -1.900 121 HB3 PHE 21 HB3 PHE 21 4.529 1.388 -1.848 122 HD1 PHE 21 HD1 PHE 21 2.677 3.285 -1.595 123 HD2 PHE 21 HD2 PHE 21 2.000 -0.882 -0.756 124 HE1 PHE 21 HE1 PHE 21 0.763 3.887 -0.158 125 HE2 PHE 21 HE2 PHE 21 0.060 -0.264 0.669 126 HZ PHE 21 HZ PHE 21 -0.552 2.109 0.974 127 H THR 22 H THR 22 5.004 2.840 -3.682 128 HA THR 22 HA THR 22 3.130 5.026 -3.900 129 HB THR 22 HB THR 22 6.007 5.160 -4.798 130 HG1 THR 22 HG1 THR 22 6.183 4.154 -2.843 131 HG21 THR 22 HG21 THR 22 5.860 7.386 -3.646 132 HG22 THR 22 HG22 THR 22 4.708 7.228 -4.987 133 HG23 THR 22 HG23 THR 22 4.148 7.052 -3.305 134 H SER 23 H SER 23 4.367 2.774 -6.242 135 HA SER 23 HA SER 23 4.093 4.576 -8.494 136 HB2 SER 23 HB2 SER 23 4.231 1.571 -8.243 137 HB3 SER 23 HB3 SER 23 4.099 2.394 -9.807 138 HG SER 23 HG SER 23 6.206 2.671 -7.933 139 H LEU 24 H LEU 24 1.982 2.640 -6.521 140 HA LEU 24 HA LEU 24 -0.216 2.731 -8.530 141 HB2 LEU 24 HB2 LEU 24 0.275 1.055 -6.042 142 HB3 LEU 24 HB3 LEU 24 -1.218 1.026 -6.988 143 HG LEU 24 HG LEU 24 1.553 0.373 -8.108 144 HD11 LEU 24 HD11 LEU 24 -0.725 -1.464 -7.273 145 HD12 LEU 24 HD12 LEU 24 0.768 -1.974 -8.086 146 HD13 LEU 24 HD13 LEU 24 0.849 -1.294 -6.449 147 HD21 LEU 24 HD21 LEU 24 0.253 -0.583 -9.999 148 HD22 LEU 24 HD22 LEU 24 -1.251 0.018 -9.261 149 HD23 LEU 24 HD23 LEU 24 -0.014 1.161 -9.839 150 H THR 25 H THR 25 0.888 4.026 -5.488 151 HA THR 25 HA THR 25 -1.621 5.593 -5.381 152 HB THR 25 HB THR 25 -1.409 5.658 -2.898 153 HG1 THR 25 HG1 THR 25 0.492 3.607 -3.372 154 HG21 THR 25 HG21 THR 25 -2.257 3.369 -2.493 155 HG22 THR 25 HG22 THR 25 -2.980 4.080 -3.952 156 HG23 THR 25 HG23 THR 25 -1.681 2.872 -4.097 157 H LYS 26 H LYS 26 -1.218 7.791 -5.326 158 HA LYS 26 HA LYS 26 1.606 8.463 -5.772 159 HB2 LYS 26 HB2 LYS 26 -0.873 10.131 -6.278 160 HB3 LYS 26 HB3 LYS 26 0.779 10.506 -6.791 161 HG2 LYS 26 HG2 LYS 26 -0.942 8.175 -7.728 162 HG3 LYS 26 HG3 LYS 26 -0.411 9.577 -8.666 163 HD2 LYS 26 HD2 LYS 26 1.980 8.817 -8.312 164 HD3 LYS 26 HD3 LYS 26 1.345 7.330 -7.579 165 HE2 LYS 26 HE2 LYS 26 0.708 8.319 -10.385 166 HE3 LYS 26 HE3 LYS 26 1.918 7.086 -9.996 167 HZ1 LYS 26 HZ1 LYS 26 0.178 5.724 -9.095 168 HZ2 LYS 26 HZ2 LYS 26 -0.964 6.867 -9.431 169 HZ3 LYS 26 HZ3 LYS 26 -0.162 6.114 -10.653 170 H CYS 27 H CYS 27 0.581 7.988 -3.015 171 HA CYS 27 HA CYS 27 0.808 10.573 -1.697 172 HB2 CYS 27 HB2 CYS 27 0.875 9.222 0.353 173 HB3 CYS 27 HB3 CYS 27 -0.440 8.685 -0.705 174 HG CYS 27 HG CYS 27 2.609 7.425 -0.420 175 H ASP 28 H ASP 28 2.710 10.552 0.178 176 HA ASP 28 HA ASP 28 5.190 10.590 -1.284 177 HB2 ASP 28 HB2 ASP 28 4.505 10.868 1.663 178 HB3 ASP 28 HB3 ASP 28 6.100 11.172 0.963 179 HA PRO 29 HA PRO 29 6.602 6.423 -0.589 180 HB2 PRO 29 HB2 PRO 29 9.188 7.781 0.189 181 HB3 PRO 29 HB3 PRO 29 8.954 6.405 -0.917 182 HG2 PRO 29 HG2 PRO 29 9.402 8.890 -1.922 183 HG3 PRO 29 HG3 PRO 29 8.030 7.953 -2.613 184 HD2 PRO 29 HD2 PRO 29 7.940 10.031 -0.385 185 HD3 PRO 29 HD3 PRO 29 6.934 9.967 -1.858 186 H LYS 30 H LYS 30 7.213 9.024 1.653 187 HA LYS 30 HA LYS 30 8.206 7.538 3.829 188 HB2 LYS 30 HB2 LYS 30 6.731 10.203 3.637 189 HB3 LYS 30 HB3 LYS 30 7.686 9.683 5.052 190 HG2 LYS 30 HG2 LYS 30 8.666 10.325 2.237 191 HG3 LYS 30 HG3 LYS 30 8.988 11.224 3.725 192 HD2 LYS 30 HD2 LYS 30 10.163 9.168 4.620 193 HD3 LYS 30 HD3 LYS 30 10.013 8.449 2.997 194 HE2 LYS 30 HE2 LYS 30 11.199 10.389 2.020 195 HE3 LYS 30 HE3 LYS 30 11.344 11.115 3.627 196 HZ1 LYS 30 HZ1 LYS 30 12.541 8.557 2.783 197 HZ2 LYS 30 HZ2 LYS 30 13.345 9.969 3.012 198 HZ3 LYS 30 HZ3 LYS 30 12.657 9.207 4.292 199 H VAL 31 H VAL 31 5.053 7.800 2.496 200 HA VAL 31 HA VAL 31 3.687 7.050 5.025 201 HB VAL 31 HB VAL 31 2.627 7.849 2.282 202 HG11 VAL 31 HG11 VAL 31 1.187 7.311 4.915 203 HG12 VAL 31 HG12 VAL 31 0.447 8.020 3.457 204 HG13 VAL 31 HG13 VAL 31 1.049 6.357 3.412 205 HG21 VAL 31 HG21 VAL 31 3.692 9.713 3.518 206 HG22 VAL 31 HG22 VAL 31 1.930 9.907 3.466 207 HG23 VAL 31 HG23 VAL 31 2.722 9.320 4.951 208 H SER 32 H SER 32 4.783 5.772 1.894 209 HA SER 32 HA SER 32 3.093 3.457 1.902 210 HB2 SER 32 HB2 SER 32 5.855 3.644 0.651 211 HB3 SER 32 HB3 SER 32 4.476 2.689 0.109 212 HG SER 32 HG SER 32 4.803 4.666 -1.080 213 H ARG 33 H ARG 33 6.029 4.333 3.588 214 HA ARG 33 HA ARG 33 6.986 1.684 4.185 215 HB2 ARG 33 HB2 ARG 33 8.281 3.882 4.259 216 HB3 ARG 33 HB3 ARG 33 7.338 4.323 5.693 217 HG2 ARG 33 HG2 ARG 33 8.240 2.177 6.779 218 HG3 ARG 33 HG3 ARG 33 9.332 2.053 5.384 219 HD2 ARG 33 HD2 ARG 33 9.179 4.378 7.334 220 HD3 ARG 33 HD3 ARG 33 10.455 3.153 7.265 221 HE ARG 33 HE ARG 33 10.115 5.471 5.530 222 HH11 ARG 33 HH11 ARG 33 11.577 2.233 5.748 223 HH12 ARG 33 HH12 ARG 33 12.832 2.621 4.602 224 HH21 ARG 33 HH21 ARG 33 11.739 5.895 4.015 225 HH22 ARG 33 HH22 ARG 33 12.912 4.669 3.601 226 H LYS 34 H LYS 34 4.612 3.824 5.735 227 HA LYS 34 HA LYS 34 4.559 2.130 8.122 228 HB2 LYS 34 HB2 LYS 34 3.371 3.794 9.102 229 HB3 LYS 34 HB3 LYS 34 4.127 4.729 7.795 230 HG2 LYS 34 HG2 LYS 34 2.051 4.459 6.443 231 HG3 LYS 34 HG3 LYS 34 1.299 3.603 7.813 232 HD2 LYS 34 HD2 LYS 34 1.595 5.583 9.241 233 HD3 LYS 34 HD3 LYS 34 2.402 6.443 7.910 234 HE2 LYS 34 HE2 LYS 34 0.372 6.275 6.538 235 HE3 LYS 34 HE3 LYS 34 -0.438 5.354 7.813 236 HZ1 LYS 34 HZ1 LYS 34 -1.046 7.672 7.878 237 HZ2 LYS 34 HZ2 LYS 34 -0.232 7.279 9.248 238 HZ3 LYS 34 HZ3 LYS 34 0.518 8.133 8.062 239 H TYR 35 H TYR 35 2.710 2.530 5.127 240 HA TYR 35 HA TYR 35 0.550 0.869 6.118 241 HB2 TYR 35 HB2 TYR 35 1.184 2.199 3.491 242 HB3 TYR 35 HB3 TYR 35 -0.005 0.895 3.539 243 HD1 TYR 35 HD1 TYR 35 -1.974 1.031 5.100 244 HD2 TYR 35 HD2 TYR 35 0.546 4.406 4.226 245 HE1 TYR 35 HE1 TYR 35 -3.735 2.556 5.947 246 HE2 TYR 35 HE2 TYR 35 -1.221 5.938 5.048 247 HH TYR 35 HH TYR 35 -4.323 4.727 6.377 248 H LEU 36 H LEU 36 3.688 0.185 4.939 249 HA LEU 36 HA LEU 36 2.884 -2.560 4.121 250 HB2 LEU 36 HB2 LEU 36 5.444 -0.923 4.005 251 HB3 LEU 36 HB3 LEU 36 5.428 -2.653 3.655 252 HG LEU 36 HG LEU 36 3.615 -0.693 2.193 253 HD11 LEU 36 HD11 LEU 36 5.279 -0.764 0.365 254 HD12 LEU 36 HD12 LEU 36 5.966 -0.030 1.831 255 HD13 LEU 36 HD13 LEU 36 6.379 -1.705 1.406 256 HD21 LEU 36 HD21 LEU 36 3.044 -3.135 2.107 257 HD22 LEU 36 HD22 LEU 36 3.556 -2.503 0.520 258 HD23 LEU 36 HD23 LEU 36 4.683 -3.469 1.503 259 H GLN 37 H GLN 37 3.862 -0.765 6.858 260 HA GLN 37 HA GLN 37 5.288 -2.980 8.126 261 HB2 GLN 37 HB2 GLN 37 5.217 -0.120 8.374 262 HB3 GLN 37 HB3 GLN 37 4.831 -0.822 9.963 263 HG2 GLN 37 HG2 GLN 37 6.834 -2.179 9.931 264 HG3 GLN 37 HG3 GLN 37 7.090 -1.837 8.221 265 HE21 GLN 37 HE22 GLN 37 7.410 0.496 7.641 266 HE22 GLN 37 HE21 GLN 37 8.573 1.336 8.644 267 H ARG 38 H ARG 38 2.080 -2.465 7.673 268 HA ARG 38 HA ARG 38 1.423 -3.825 10.254 269 HB2 ARG 38 HB2 ARG 38 -0.807 -2.632 8.732 270 HB3 ARG 38 HB3 ARG 38 -0.515 -2.629 10.461 271 HG2 ARG 38 HG2 ARG 38 0.782 -0.793 8.402 272 HG3 ARG 38 HG3 ARG 38 -0.578 -0.369 9.433 273 HD2 ARG 38 HD2 ARG 38 2.218 -1.045 10.435 274 HD3 ARG 38 HD3 ARG 38 1.506 0.563 10.317 275 HE ARG 38 HE ARG 38 -0.119 -0.033 12.022 276 HH11 ARG 38 HH11 ARG 38 2.597 -2.298 11.683 277 HH12 ARG 38 HH12 ARG 38 2.387 -2.934 13.295 278 HH21 ARG 38 HH21 ARG 38 -0.348 -0.905 14.095 279 HH22 ARG 38 HH22 ARG 38 0.738 -2.151 14.656 280 H ASN 39 H ASN 39 2.104 -4.464 7.129 281 HA ASN 39 HA ASN 39 -0.059 -6.455 6.793 282 HB2 ASN 39 HB2 ASN 39 0.767 -4.328 4.779 283 HB3 ASN 39 HB3 ASN 39 -0.436 -5.578 4.495 284 HD21 ASN 39 HD22 ASN 39 0.142 -2.431 5.633 285 HD22 ASN 39 HD21 ASN 39 -1.339 -2.111 6.490 286 H HIS 40 H HIS 40 2.724 -6.822 7.504 287 HA HIS 40 HA HIS 40 4.401 -8.240 7.011 288 HB2 HIS 40 HB2 HIS 40 2.581 -9.529 4.972 289 HB3 HIS 40 HB3 HIS 40 3.829 -10.286 5.963 290 HD2 HIS 40 HD2 HIS 40 2.596 -8.677 8.721 291 HE1 HIS 40 HE1 HIS 40 -0.657 -11.328 8.079 292 HE2 HIS 40 HE2 HIS 40 0.479 -9.797 9.766 293 H TRP 41 H TRP 41 4.171 -5.753 5.427 294 HA TRP 41 HA TRP 41 5.129 -4.711 3.706 295 HB2 TRP 41 HB2 TRP 41 7.179 -6.851 4.287 296 HB3 TRP 41 HB3 TRP 41 7.437 -5.620 3.066 297 HD1 TRP 41 HD1 TRP 41 7.068 -5.921 6.858 298 HE1 TRP 41 HE1 TRP 41 7.888 -3.748 7.935 299 HE3 TRP 41 HE3 TRP 41 7.860 -3.313 2.642 300 HZ2 TRP 41 HZ2 TRP 41 8.501 -1.004 7.004 301 HZ3 TRP 41 HZ3 TRP 41 8.538 -0.899 2.703 302 HH2 TRP 41 HH2 TRP 41 8.808 0.249 4.878 303 H ASN 42 H ASN 42 3.063 -6.628 2.926 304 HA ASN 42 HA ASN 42 3.935 -7.045 0.108 305 HB2 ASN 42 HB2 ASN 42 1.694 -8.161 1.856 306 HB3 ASN 42 HB3 ASN 42 1.597 -8.175 0.097 307 HD21 ASN 42 HD22 ASN 42 1.412 -10.570 0.723 308 HD22 ASN 42 HD21 ASN 42 2.921 -11.458 0.639 309 H ILE 43 H ILE 43 3.267 -5.810 -1.437 310 HA ILE 43 HA ILE 43 1.705 -3.455 -0.922 311 HB ILE 43 HB ILE 43 2.645 -4.899 -3.424 312 HG12 ILE 43 HG12 ILE 43 3.586 -2.428 -1.904 313 HG13 ILE 43 HG13 ILE 43 4.423 -3.937 -2.005 314 HG21 ILE 43 HG21 ILE 43 2.028 -2.892 -4.696 315 HG22 ILE 43 HG22 ILE 43 0.610 -3.626 -3.958 316 HG23 ILE 43 HG23 ILE 43 1.330 -2.163 -3.223 317 HD11 ILE 43 HD11 ILE 43 3.917 -2.056 -4.336 318 HD12 ILE 43 HD12 ILE 43 5.469 -2.479 -3.589 319 HD13 ILE 43 HD13 ILE 43 4.577 -3.706 -4.509 320 H ASN 44 H ASN 44 0.923 -6.798 -1.754 321 HA ASN 44 HA ASN 44 -1.682 -6.021 -2.837 322 HB2 ASN 44 HB2 ASN 44 -0.402 -8.734 -2.284 323 HB3 ASN 44 HB3 ASN 44 -1.946 -8.509 -3.117 324 HD21 ASN 44 HD22 ASN 44 0.656 -9.681 -4.069 325 HD22 ASN 44 HD21 ASN 44 1.052 -8.780 -5.518 326 H TYR 45 H TYR 45 -0.501 -6.127 0.187 327 HA TYR 45 HA TYR 45 -3.133 -6.822 1.408 328 HB2 TYR 45 HB2 TYR 45 -0.287 -7.561 2.135 329 HB3 TYR 45 HB3 TYR 45 -1.517 -7.509 3.374 330 HD1 TYR 45 HD1 TYR 45 -3.425 -9.062 3.353 331 HD2 TYR 45 HD2 TYR 45 -0.305 -9.313 0.411 332 HE1 TYR 45 HE1 TYR 45 -4.170 -11.358 2.764 333 HE2 TYR 45 HE2 TYR 45 -1.043 -11.608 -0.190 334 HH TYR 45 HH TYR 45 -3.808 -13.195 1.443 335 H ALA 46 H ALA 46 -0.908 -4.443 0.662 336 HA ALA 46 HA ALA 46 -1.366 -2.899 3.167 337 HB1 ALA 46 HB1 ALA 46 0.736 -2.776 0.985 338 HB2 ALA 46 HB2 ALA 46 0.625 -1.621 2.338 339 HB3 ALA 46 HB3 ALA 46 0.959 -3.336 2.664 340 H LEU 47 H LEU 47 -1.803 -2.901 -0.389 341 HA LEU 47 HA LEU 47 -2.524 -0.107 -0.519 342 HB2 LEU 47 HB2 LEU 47 -3.121 -2.490 -2.317 343 HB3 LEU 47 HB3 LEU 47 -3.559 -0.821 -2.715 344 HG LEU 47 HG LEU 47 -0.709 -1.704 -2.156 345 HD11 LEU 47 HD11 LEU 47 -2.172 -1.267 -4.801 346 HD12 LEU 47 HD12 LEU 47 -0.426 -1.554 -4.615 347 HD13 LEU 47 HD13 LEU 47 -1.587 -2.824 -4.171 348 HD21 LEU 47 HD21 LEU 47 -0.141 0.426 -3.258 349 HD22 LEU 47 HD22 LEU 47 -1.872 0.798 -3.445 350 HD23 LEU 47 HD23 LEU 47 -1.138 0.720 -1.822 351 H ASN 48 H ASN 48 -4.240 -3.091 0.293 352 HA ASN 48 HA ASN 48 -6.901 -2.046 0.054 353 HB2 ASN 48 HB2 ASN 48 -5.944 -4.202 1.979 354 HB3 ASN 48 HB3 ASN 48 -7.552 -4.032 1.241 355 HD21 ASN 48 HD22 ASN 48 -4.182 -4.879 0.820 356 HD22 ASN 48 HD21 ASN 48 -4.320 -5.649 -0.750 357 H ASP 49 H ASP 49 -4.451 -2.099 2.596 358 HA ASP 49 HA ASP 49 -6.085 -0.992 4.699 359 HB2 ASP 49 HB2 ASP 49 -3.777 -2.210 4.764 360 HB3 ASP 49 HB3 ASP 49 -3.078 -0.654 4.334 361 H TYR 50 H TYR 50 -4.329 0.366 1.990 362 HA TYR 50 HA TYR 50 -4.604 3.127 2.932 363 HB2 TYR 50 HB2 TYR 50 -2.683 2.319 1.604 364 HB3 TYR 50 HB3 TYR 50 -3.750 1.946 0.260 365 HD1 TYR 50 HD2 TYR 50 -2.174 4.654 2.207 366 HD2 TYR 50 HD1 TYR 50 -4.670 3.691 -1.157 367 HE1 TYR 50 HE2 TYR 50 -1.885 6.964 1.341 368 HE2 TYR 50 HE1 TYR 50 -4.395 5.995 -2.035 369 HH TYR 50 HH TYR 50 -3.436 8.059 -1.704 370 H TYR 51 H TYR 51 -6.255 0.874 0.754 371 HA TYR 51 HA TYR 51 -8.081 2.885 -0.289 372 HB2 TYR 51 HB2 TYR 51 -8.176 -0.147 -0.406 373 HB3 TYR 51 HB3 TYR 51 -9.216 0.947 -1.319 374 HD1 TYR 51 HD2 TYR 51 -7.115 3.052 -2.005 375 HD2 TYR 51 HD1 TYR 51 -7.054 -1.247 -2.208 376 HE1 TYR 51 HE2 TYR 51 -5.441 3.171 -3.813 377 HE2 TYR 51 HE1 TYR 51 -5.377 -1.134 -4.032 378 HH TYR 51 HH TYR 51 -4.131 0.226 -5.396 379 H ASP 52 H ASP 52 -7.837 1.354 2.704 380 HA ASP 52 HA ASP 52 -10.755 1.459 3.239 381 HB2 ASP 52 HB2 ASP 52 -8.304 0.462 4.738 382 HB3 ASP 52 HB3 ASP 52 -9.890 0.567 5.476 383 H LYS 53 H LYS 53 -7.740 3.203 3.757 384 HA LYS 53 HA LYS 53 -9.070 4.848 5.875 385 HB2 LYS 53 HB2 LYS 53 -6.222 3.862 5.670 386 HB3 LYS 53 HB3 LYS 53 -6.827 4.983 6.907 387 HG2 LYS 53 HG2 LYS 53 -8.426 3.329 7.721 388 HG3 LYS 53 HG3 LYS 53 -7.979 2.201 6.421 389 HD2 LYS 53 HD2 LYS 53 -5.667 2.144 7.241 390 HD3 LYS 53 HD3 LYS 53 -6.113 3.237 8.577 391 HE2 LYS 53 HE2 LYS 53 -7.639 1.592 9.498 392 HE3 LYS 53 HE3 LYS 53 -7.475 0.565 8.064 393 HZ1 LYS 53 HZ1 LYS 53 -5.284 1.174 9.933 394 HZ2 LYS 53 HZ2 LYS 53 -6.145 -0.229 9.895 395 HZ3 LYS 53 HZ3 LYS 53 -5.211 0.185 8.613 396 H GLU 54 H GLU 54 -7.586 5.007 2.761 397 HA GLU 54 HA GLU 54 -7.326 7.952 3.052 398 HB2 GLU 54 HB2 GLU 54 -5.270 6.089 1.814 399 HB3 GLU 54 HB3 GLU 54 -5.227 7.850 1.694 400 HG2 GLU 54 HG2 GLU 54 -5.087 6.272 4.290 401 HG3 GLU 54 HG3 GLU 54 -3.709 6.985 3.450 402 H ILE 55 H ILE 55 -9.088 5.680 1.600 403 HA ILE 55 HA ILE 55 -8.591 6.090 -1.156 404 HB ILE 55 HB ILE 55 -9.765 4.164 -0.207 405 HG12 ILE 55 HG12 ILE 55 -11.490 5.720 -2.171 406 HG13 ILE 55 HG13 ILE 55 -10.009 4.838 -2.590 407 HG21 ILE 55 HG21 ILE 55 -12.108 4.328 0.525 408 HG22 ILE 55 HG22 ILE 55 -11.074 5.358 1.530 409 HG23 ILE 55 HG23 ILE 55 -12.082 6.084 0.263 410 HD11 ILE 55 HD11 ILE 55 -11.963 3.465 -3.098 411 HD12 ILE 55 HD12 ILE 55 -11.041 2.732 -1.766 412 HD13 ILE 55 HD13 ILE 55 -12.550 3.617 -1.432 413 H GLY 56 H GLY 56 -9.679 7.373 -2.712 414 HA2 GLY 56 HA2 GLY 56 -10.392 10.012 -1.691 415 HA3 GLY 56 HA3 GLY 56 -10.149 9.537 -3.380 416 H THR 57 H THR 57 -12.264 7.242 -2.245 417 HA THR 57 HA THR 57 -14.716 8.846 -2.463 418 HB THR 57 HB THR 57 -14.009 8.526 -4.805 419 HG1 THR 57 HG1 THR 57 -15.976 7.563 -5.445 420 HG21 THR 57 HG21 THR 57 -14.029 6.270 -5.798 421 HG22 THR 57 HG22 THR 57 -12.772 6.385 -4.552 422 HG23 THR 57 HG23 THR 57 -14.302 5.547 -4.196 423 H PHE 58 H PHE 58 -16.683 7.392 -2.320 424 HA PHE 58 HA PHE 58 -16.065 5.147 -0.473 425 HB2 PHE 58 HB2 PHE 58 -18.498 6.948 -0.631 426 HB3 PHE 58 HB3 PHE 58 -18.236 5.646 0.542 427 HD1 PHE 58 HD1 PHE 58 -16.168 5.781 2.047 428 HD2 PHE 58 HD2 PHE 58 -17.644 9.109 -0.224 429 HE1 PHE 58 HE1 PHE 58 -14.886 7.321 3.494 430 HE2 PHE 58 HE2 PHE 58 -16.387 10.674 1.247 431 HZ PHE 58 HZ PHE 58 -15.005 9.783 3.112 432 H THR 59 H THR 59 -16.967 5.731 -3.571 433 HA THR 59 HA THR 59 -18.136 3.049 -3.882 434 HB THR 59 HB THR 59 -20.095 4.447 -3.399 435 HG1 THR 59 HG1 THR 59 -21.208 3.852 -5.288 436 HG21 THR 59 HG21 THR 59 -19.304 5.983 -5.917 437 HG22 THR 59 HG22 THR 59 -20.815 6.180 -4.992 438 HG23 THR 59 HG23 THR 59 -19.258 6.623 -4.263 439 H ASP 60 H ASP 60 -18.368 2.459 -6.183 440 HA ASP 60 HA ASP 60 -16.633 4.061 -7.987 441 HB2 ASP 60 HB2 ASP 60 -15.531 2.070 -8.771 442 HB3 ASP 60 HB3 ASP 60 -15.342 2.165 -7.020 443 H GLU 61 H GLU 61 -19.685 3.266 -7.502 444 HA GLU 61 HA GLU 61 -20.219 3.078 -10.407 445 HB2 GLU 61 HB2 GLU 61 -21.552 1.436 -8.211 446 HB3 GLU 61 HB3 GLU 61 -22.125 1.557 -9.882 447 HG2 GLU 61 HG2 GLU 61 -19.946 0.646 -10.666 448 HG3 GLU 61 HG3 GLU 61 -19.437 0.447 -8.979 449 H VAL 62 H VAL 62 -22.473 3.747 -10.924 450 HA VAL 62 HA VAL 62 -23.804 5.436 -8.916 451 HB VAL 62 HB VAL 62 -22.130 6.914 -9.950 452 HG11 VAL 62 HG11 VAL 62 -23.587 6.369 -12.567 453 HG12 VAL 62 HG12 VAL 62 -22.273 7.540 -12.311 454 HG13 VAL 62 HG13 VAL 62 -21.949 5.800 -12.166 455 HG21 VAL 62 HG21 VAL 62 -24.335 7.785 -9.216 456 HG22 VAL 62 HG22 VAL 62 -23.657 8.709 -10.573 457 HG23 VAL 62 HG23 VAL 62 -24.966 7.540 -10.858 Start of MODEL 12 1 HA ILE 6 HA ILE 6 19.468 -4.666 2.152 2 HB ILE 6 HB ILE 6 20.291 -6.410 4.495 3 HG12 ILE 6 HG12 ILE 6 17.496 -5.824 3.427 4 HG13 ILE 6 HG13 ILE 6 18.287 -7.410 3.489 5 HG21 ILE 6 HG21 ILE 6 18.733 -3.789 4.330 6 HG22 ILE 6 HG22 ILE 6 19.191 -4.649 5.821 7 HG23 ILE 6 HG23 ILE 6 20.442 -3.938 4.808 8 HD11 ILE 6 HD11 ILE 6 18.383 -7.240 5.977 9 HD12 ILE 6 HD12 ILE 6 17.410 -5.744 5.871 10 HD13 ILE 6 HD13 ILE 6 16.737 -7.285 5.310 11 H LYS 7 H LYS 7 21.911 -6.633 1.216 12 HA LYS 7 HA LYS 7 24.109 -5.065 2.410 13 HB2 LYS 7 HB2 LYS 7 24.168 -7.463 0.537 14 HB3 LYS 7 HB3 LYS 7 25.566 -6.744 1.350 15 HG2 LYS 7 HG2 LYS 7 23.193 -8.081 2.719 16 HG3 LYS 7 HG3 LYS 7 24.809 -8.771 2.508 17 HD2 LYS 7 HD2 LYS 7 25.765 -6.914 3.862 18 HD3 LYS 7 HD3 LYS 7 24.120 -6.281 4.132 19 HE2 LYS 7 HE2 LYS 7 23.469 -8.429 5.174 20 HE3 LYS 7 HE3 LYS 7 25.108 -9.052 4.922 21 HZ1 LYS 7 HZ1 LYS 7 24.403 -6.719 6.574 22 HZ2 LYS 7 HZ2 LYS 7 24.812 -8.205 7.140 23 HZ3 LYS 7 HZ3 LYS 7 25.928 -7.297 6.342 24 H ARG 8 H ARG 8 22.046 -4.429 0.034 25 HA ARG 8 HA ARG 8 23.913 -3.676 -2.098 26 HB2 ARG 8 HB2 ARG 8 20.927 -3.240 -1.677 27 HB3 ARG 8 HB3 ARG 8 21.811 -2.749 -3.142 28 HG2 ARG 8 HG2 ARG 8 22.456 -5.008 -3.612 29 HG3 ARG 8 HG3 ARG 8 21.707 -5.573 -2.096 30 HD2 ARG 8 HD2 ARG 8 20.201 -4.217 -4.377 31 HD3 ARG 8 HD3 ARG 8 20.286 -5.969 -4.131 32 HE ARG 8 HE ARG 8 19.392 -4.699 -1.724 33 HH11 ARG 8 HH11 ARG 8 18.246 -5.478 -4.982 34 HH12 ARG 8 HH12 ARG 8 16.580 -5.609 -4.479 35 HH21 ARG 8 HH21 ARG 8 17.248 -4.887 -1.101 36 HH22 ARG 8 HH22 ARG 8 16.009 -5.269 -2.271 37 H LYS 9 H LYS 9 23.840 -1.404 -2.954 38 HA LYS 9 HA LYS 9 23.731 0.576 -0.740 39 HB2 LYS 9 HB2 LYS 9 25.807 1.608 -1.704 40 HB3 LYS 9 HB3 LYS 9 26.023 0.035 -0.935 41 HG2 LYS 9 HG2 LYS 9 27.344 0.141 -2.943 42 HG3 LYS 9 HG3 LYS 9 26.074 -1.072 -3.141 43 HD2 LYS 9 HD2 LYS 9 24.773 0.470 -4.536 44 HD3 LYS 9 HD3 LYS 9 25.940 1.779 -4.222 45 HE2 LYS 9 HE2 LYS 9 27.722 0.416 -5.282 46 HE3 LYS 9 HE3 LYS 9 26.543 -0.865 -5.616 47 HZ1 LYS 9 HZ1 LYS 9 26.878 0.548 -7.518 48 HZ2 LYS 9 HZ2 LYS 9 25.333 0.698 -6.983 49 HZ3 LYS 9 HZ3 LYS 9 26.437 1.881 -6.675 50 H ASP 10 H ASP 10 22.084 -0.199 -3.287 51 HA ASP 10 HA ASP 10 21.449 2.617 -3.835 52 HB2 ASP 10 HB2 ASP 10 23.075 1.865 -5.590 53 HB3 ASP 10 HB3 ASP 10 21.946 0.578 -6.049 54 H ALA 11 H ALA 11 20.416 -0.077 -2.622 55 HA ALA 11 HA ALA 11 17.611 0.394 -3.271 56 HB1 ALA 11 HB1 ALA 11 18.936 -2.261 -3.966 57 HB2 ALA 11 HB2 ALA 11 17.189 -1.932 -4.019 58 HB3 ALA 11 HB3 ALA 11 18.286 -1.092 -5.135 59 H SER 12 H SER 12 16.197 -1.031 -1.912 60 HA SER 12 HA SER 12 17.514 -2.374 0.346 61 HB2 SER 12 HB2 SER 12 16.912 -0.917 1.978 62 HB3 SER 12 HB3 SER 12 16.928 0.265 0.656 63 HG SER 12 HG SER 12 14.987 0.208 1.980 64 HA PRO 13 HA PRO 13 14.016 -5.002 -0.021 65 HB2 PRO 13 HB2 PRO 13 13.291 -5.674 2.519 66 HB3 PRO 13 HB3 PRO 13 14.943 -6.075 1.918 67 HG2 PRO 13 HG2 PRO 13 14.107 -3.592 3.474 68 HG3 PRO 13 HG3 PRO 13 15.380 -4.783 3.934 69 HD2 PRO 13 HD2 PRO 13 16.039 -2.543 2.575 70 HD3 PRO 13 HD3 PRO 13 16.754 -4.113 2.075 71 H GLU 14 H GLU 14 13.650 -2.214 2.089 72 HA GLU 14 HA GLU 14 10.741 -2.246 2.054 73 HB2 GLU 14 HB2 GLU 14 12.764 -0.080 2.785 74 HB3 GLU 14 HB3 GLU 14 11.014 0.002 3.068 75 HG2 GLU 14 HG2 GLU 14 11.143 -2.032 4.485 76 HG3 GLU 14 HG3 GLU 14 12.905 -2.017 4.285 77 H GLN 15 H GLN 15 13.400 -0.840 0.150 78 HA GLN 15 HA GLN 15 11.791 1.033 -1.303 79 HB2 GLN 15 HB2 GLN 15 14.540 0.234 -1.120 80 HB3 GLN 15 HB3 GLN 15 14.092 0.055 -2.812 81 HG2 GLN 15 HG2 GLN 15 14.921 2.348 -2.232 82 HG3 GLN 15 HG3 GLN 15 13.253 2.345 -2.874 83 HE21 GLN 15 HE22 GLN 15 14.455 1.405 0.366 84 HE22 GLN 15 HE21 GLN 15 13.435 2.503 1.266 85 H GLU 16 H GLU 16 12.494 -2.354 -1.619 86 HA GLU 16 HA GLU 16 11.566 -2.513 -4.366 87 HB2 GLU 16 HB2 GLU 16 12.115 -4.639 -2.245 88 HB3 GLU 16 HB3 GLU 16 11.613 -5.027 -3.906 89 HG2 GLU 16 HG2 GLU 16 13.508 -3.769 -4.807 90 HG3 GLU 16 HG3 GLU 16 14.067 -3.376 -3.184 91 H ALA 17 H ALA 17 9.998 -2.251 -1.393 92 HA ALA 17 HA ALA 17 7.435 -3.207 -2.607 93 HB1 ALA 17 HB1 ALA 17 8.182 -2.780 0.308 94 HB2 ALA 17 HB2 ALA 17 6.619 -3.383 -0.294 95 HB3 ALA 17 HB3 ALA 17 8.088 -4.351 -0.527 96 H ILE 18 H ILE 18 9.153 -0.397 -1.353 97 HA ILE 18 HA ILE 18 6.729 1.211 -1.062 98 HB ILE 18 HB ILE 18 9.706 1.695 -0.792 99 HG12 ILE 18 HG12 ILE 18 7.428 2.008 1.213 100 HG13 ILE 18 HG13 ILE 18 8.302 0.495 0.982 101 HG21 ILE 18 HG21 ILE 18 7.473 3.756 -0.577 102 HG22 ILE 18 HG22 ILE 18 9.152 4.008 -0.034 103 HG23 ILE 18 HG23 ILE 18 8.814 3.759 -1.745 104 HD11 ILE 18 HD11 ILE 18 9.521 3.141 1.877 105 HD12 ILE 18 HD12 ILE 18 9.284 1.682 2.859 106 HD13 ILE 18 HD13 ILE 18 10.447 1.654 1.528 107 H GLU 19 H GLU 19 9.236 0.687 -3.585 108 HA GLU 19 HA GLU 19 8.552 3.086 -5.017 109 HB2 GLU 19 HB2 GLU 19 9.911 0.495 -5.824 110 HB3 GLU 19 HB3 GLU 19 9.629 1.827 -6.959 111 HG2 GLU 19 HG2 GLU 19 10.861 3.380 -5.494 112 HG3 GLU 19 HG3 GLU 19 11.174 2.076 -4.343 113 H SER 20 H SER 20 7.205 -0.254 -5.058 114 HA SER 20 HA SER 20 5.508 0.319 -7.348 115 HB2 SER 20 HB2 SER 20 5.608 -1.933 -5.294 116 HB3 SER 20 HB3 SER 20 4.595 -1.920 -6.746 117 HG SER 20 HG SER 20 6.606 -3.003 -7.066 118 H PHE 21 H PHE 21 5.302 0.691 -3.846 119 HA PHE 21 HA PHE 21 2.410 0.804 -3.740 120 HB2 PHE 21 HB2 PHE 21 4.024 0.309 -1.866 121 HB3 PHE 21 HB3 PHE 21 4.515 1.968 -1.873 122 HD1 PHE 21 HD1 PHE 21 2.359 3.710 -1.729 123 HD2 PHE 21 HD2 PHE 21 2.472 -0.328 -0.223 124 HE1 PHE 21 HE1 PHE 21 0.480 4.216 -0.214 125 HE2 PHE 21 HE2 PHE 21 0.590 0.195 1.288 126 HZ PHE 21 HZ PHE 21 -0.425 2.457 1.284 127 H THR 22 H THR 22 5.072 3.160 -3.854 128 HA THR 22 HA THR 22 3.357 5.496 -4.029 129 HB THR 22 HB THR 22 6.173 5.436 -5.057 130 HG1 THR 22 HG1 THR 22 6.316 4.274 -3.128 131 HG21 THR 22 HG21 THR 22 6.285 7.620 -3.851 132 HG22 THR 22 HG22 THR 22 4.942 7.588 -5.018 133 HG23 THR 22 HG23 THR 22 4.623 7.380 -3.281 134 H SER 23 H SER 23 4.079 3.043 -6.273 135 HA SER 23 HA SER 23 3.927 4.854 -8.579 136 HB2 SER 23 HB2 SER 23 4.114 1.857 -8.272 137 HB3 SER 23 HB3 SER 23 3.926 2.635 -9.851 138 HG SER 23 HG SER 23 6.064 2.934 -8.027 139 H LEU 24 H LEU 24 1.938 2.612 -6.693 140 HA LEU 24 HA LEU 24 -0.324 2.849 -8.591 141 HB2 LEU 24 HB2 LEU 24 0.227 1.111 -6.160 142 HB3 LEU 24 HB3 LEU 24 -1.302 1.122 -7.052 143 HG LEU 24 HG LEU 24 1.424 0.493 -8.289 144 HD11 LEU 24 HD11 LEU 24 0.788 -1.229 -6.669 145 HD12 LEU 24 HD12 LEU 24 -0.823 -1.362 -7.408 146 HD13 LEU 24 HD13 LEU 24 0.623 -1.855 -8.324 147 HD21 LEU 24 HD21 LEU 24 0.047 -0.421 -10.156 148 HD22 LEU 24 HD22 LEU 24 -1.415 0.196 -9.352 149 HD23 LEU 24 HD23 LEU 24 -0.177 1.324 -9.956 150 H THR 25 H THR 25 0.840 4.154 -5.610 151 HA THR 25 HA THR 25 -1.673 5.709 -5.460 152 HB THR 25 HB THR 25 -1.548 5.812 -3.056 153 HG1 THR 25 HG1 THR 25 0.741 4.183 -3.334 154 HG21 THR 25 HG21 THR 25 -1.225 2.911 -3.933 155 HG22 THR 25 HG22 THR 25 -1.981 3.477 -2.429 156 HG23 THR 25 HG23 THR 25 -2.732 3.860 -3.997 157 H LYS 26 H LYS 26 -1.269 7.978 -4.860 158 HA LYS 26 HA LYS 26 1.505 8.693 -5.634 159 HB2 LYS 26 HB2 LYS 26 -0.974 10.417 -5.831 160 HB3 LYS 26 HB3 LYS 26 0.629 10.762 -6.493 161 HG2 LYS 26 HG2 LYS 26 -1.306 8.592 -7.365 162 HG3 LYS 26 HG3 LYS 26 -0.757 9.994 -8.286 163 HD2 LYS 26 HD2 LYS 26 1.590 9.006 -8.246 164 HD3 LYS 26 HD3 LYS 26 0.898 7.558 -7.494 165 HE2 LYS 26 HE2 LYS 26 -0.657 7.311 -9.407 166 HE3 LYS 26 HE3 LYS 26 0.052 8.740 -10.171 167 HZ1 LYS 26 HZ1 LYS 26 1.022 6.758 -11.049 168 HZ2 LYS 26 HZ2 LYS 26 2.171 7.566 -10.204 169 HZ3 LYS 26 HZ3 LYS 26 1.463 6.226 -9.561 170 H CYS 27 H CYS 27 0.533 8.021 -2.857 171 HA CYS 27 HA CYS 27 0.793 10.502 -1.376 172 HB2 CYS 27 HB2 CYS 27 -0.406 8.352 -0.665 173 HB3 CYS 27 HB3 CYS 27 1.201 7.669 -0.345 174 HG CYS 27 HG CYS 27 -0.187 10.446 0.820 175 H ASP 28 H ASP 28 2.612 10.035 0.574 176 HA ASP 28 HA ASP 28 5.129 10.433 -0.893 177 HB2 ASP 28 HB2 ASP 28 4.292 11.962 0.896 178 HB3 ASP 28 HB3 ASP 28 4.552 10.670 2.079 179 HA PRO 29 HA PRO 29 6.660 6.360 -0.357 180 HB2 PRO 29 HB2 PRO 29 9.256 7.712 0.409 181 HB3 PRO 29 HB3 PRO 29 9.001 6.355 -0.726 182 HG2 PRO 29 HG2 PRO 29 9.363 8.859 -1.699 183 HG3 PRO 29 HG3 PRO 29 7.967 7.913 -2.336 184 HD2 PRO 29 HD2 PRO 29 7.992 9.928 -0.058 185 HD3 PRO 29 HD3 PRO 29 6.905 9.920 -1.475 186 H LYS 30 H LYS 30 7.278 8.757 2.157 187 HA LYS 30 HA LYS 30 8.238 6.853 4.084 188 HB2 LYS 30 HB2 LYS 30 7.461 9.767 4.032 189 HB3 LYS 30 HB3 LYS 30 7.654 8.968 5.616 190 HG2 LYS 30 HG2 LYS 30 9.693 10.058 5.029 191 HG3 LYS 30 HG3 LYS 30 9.914 8.306 5.086 192 HD2 LYS 30 HD2 LYS 30 9.903 8.174 2.639 193 HD3 LYS 30 HD3 LYS 30 9.540 9.926 2.528 194 HE2 LYS 30 HE2 LYS 30 11.579 10.412 3.813 195 HE3 LYS 30 HE3 LYS 30 11.946 8.685 3.908 196 HZ1 LYS 30 HZ1 LYS 30 13.174 9.748 2.133 197 HZ2 LYS 30 HZ2 LYS 30 12.127 8.655 1.497 198 HZ3 LYS 30 HZ3 LYS 30 11.789 10.261 1.414 199 H VAL 31 H VAL 31 5.098 7.839 2.961 200 HA VAL 31 HA VAL 31 3.703 6.781 5.337 201 HB VAL 31 HB VAL 31 2.691 7.769 2.635 202 HG11 VAL 31 HG11 VAL 31 1.103 6.183 3.644 203 HG12 VAL 31 HG12 VAL 31 1.196 7.049 5.196 204 HG13 VAL 31 HG13 VAL 31 0.478 7.836 3.773 205 HG21 VAL 31 HG21 VAL 31 3.731 9.544 4.014 206 HG22 VAL 31 HG22 VAL 31 1.972 9.745 3.936 207 HG23 VAL 31 HG23 VAL 31 2.719 9.060 5.396 208 H SER 32 H SER 32 4.738 5.769 2.079 209 HA SER 32 HA SER 32 3.164 3.400 1.917 210 HB2 SER 32 HB2 SER 32 5.965 3.909 0.846 211 HB3 SER 32 HB3 SER 32 4.795 2.718 0.239 212 HG SER 32 HG SER 32 4.838 4.670 -0.989 213 H ARG 33 H ARG 33 6.236 4.200 3.506 214 HA ARG 33 HA ARG 33 7.048 1.553 4.252 215 HB2 ARG 33 HB2 ARG 33 8.550 3.501 4.230 216 HB3 ARG 33 HB3 ARG 33 7.516 4.341 5.392 217 HG2 ARG 33 HG2 ARG 33 8.062 2.644 7.122 218 HG3 ARG 33 HG3 ARG 33 9.103 1.797 5.958 219 HD2 ARG 33 HD2 ARG 33 10.454 3.228 7.392 220 HD3 ARG 33 HD3 ARG 33 10.480 3.849 5.731 221 HE ARG 33 HE ARG 33 8.369 5.107 7.198 222 HH11 ARG 33 HH11 ARG 33 11.890 5.075 6.948 223 HH12 ARG 33 HH12 ARG 33 12.062 6.727 7.504 224 HH21 ARG 33 HH21 ARG 33 8.615 7.252 7.911 225 HH22 ARG 33 HH22 ARG 33 10.208 7.961 8.043 226 H LYS 34 H LYS 34 4.732 3.832 5.582 227 HA LYS 34 HA LYS 34 4.557 2.504 8.168 228 HB2 LYS 34 HB2 LYS 34 4.171 4.963 7.751 229 HB3 LYS 34 HB3 LYS 34 2.720 4.546 6.833 230 HG2 LYS 34 HG2 LYS 34 1.824 3.398 8.911 231 HG3 LYS 34 HG3 LYS 34 3.246 4.007 9.781 232 HD2 LYS 34 HD2 LYS 34 1.538 5.614 10.193 233 HD3 LYS 34 HD3 LYS 34 2.560 6.344 8.929 234 HE2 LYS 34 HE2 LYS 34 0.966 5.624 7.203 235 HE3 LYS 34 HE3 LYS 34 -0.035 4.831 8.434 236 HZ1 LYS 34 HZ1 LYS 34 0.547 7.714 8.290 237 HZ2 LYS 34 HZ2 LYS 34 -0.882 6.998 7.899 238 HZ3 LYS 34 HZ3 LYS 34 -0.358 6.985 9.453 239 H TYR 35 H TYR 35 2.675 2.564 5.136 240 HA TYR 35 HA TYR 35 0.661 0.723 6.211 241 HB2 TYR 35 HB2 TYR 35 1.087 2.178 3.595 242 HB3 TYR 35 HB3 TYR 35 -0.079 0.861 3.712 243 HD1 TYR 35 HD2 TYR 35 0.745 4.227 5.154 244 HD2 TYR 35 HD1 TYR 35 -2.200 1.126 4.639 245 HE1 TYR 35 HE2 TYR 35 -1.015 5.765 5.960 246 HE2 TYR 35 HE1 TYR 35 -3.952 2.650 5.513 247 HH TYR 35 HH TYR 35 -4.425 4.741 6.327 248 H LEU 36 H LEU 36 3.766 0.165 5.406 249 HA LEU 36 HA LEU 36 3.051 -2.572 4.429 250 HB2 LEU 36 HB2 LEU 36 5.566 -0.881 4.138 251 HB3 LEU 36 HB3 LEU 36 5.552 -2.630 3.850 252 HG LEU 36 HG LEU 36 3.624 -0.791 2.406 253 HD11 LEU 36 HD11 LEU 36 6.384 -1.712 1.498 254 HD12 LEU 36 HD12 LEU 36 5.205 -0.812 0.516 255 HD13 LEU 36 HD13 LEU 36 5.953 -0.043 1.935 256 HD21 LEU 36 HD21 LEU 36 3.227 -3.291 2.477 257 HD22 LEU 36 HD22 LEU 36 3.520 -2.665 0.842 258 HD23 LEU 36 HD23 LEU 36 4.815 -3.514 1.713 259 H GLN 37 H GLN 37 3.944 -0.676 7.064 260 HA GLN 37 HA GLN 37 5.487 -2.783 8.434 261 HB2 GLN 37 HB2 GLN 37 5.267 0.113 8.548 262 HB3 GLN 37 HB3 GLN 37 5.136 -0.606 10.177 263 HG2 GLN 37 HG2 GLN 37 7.228 -1.698 9.964 264 HG3 GLN 37 HG3 GLN 37 7.204 -1.552 8.202 265 HE21 GLN 37 HE22 GLN 37 9.420 -0.760 8.528 266 HE22 GLN 37 HE21 GLN 37 9.594 0.974 8.676 267 H ARG 38 H ARG 38 2.361 -2.306 7.813 268 HA ARG 38 HA ARG 38 1.455 -3.492 10.374 269 HB2 ARG 38 HB2 ARG 38 -0.560 -2.056 10.274 270 HB3 ARG 38 HB3 ARG 38 0.932 -1.115 10.412 271 HG2 ARG 38 HG2 ARG 38 0.807 -0.853 7.850 272 HG3 ARG 38 HG3 ARG 38 -0.836 -1.530 7.986 273 HD2 ARG 38 HD2 ARG 38 0.202 0.971 9.382 274 HD3 ARG 38 HD3 ARG 38 -0.881 0.938 7.990 275 HE ARG 38 HE ARG 38 -2.599 -0.078 9.361 276 HH11 ARG 38 HH11 ARG 38 0.156 1.270 11.131 277 HH12 ARG 38 HH12 ARG 38 -0.726 1.395 12.635 278 HH21 ARG 38 HH21 ARG 38 -3.718 0.104 11.340 279 HH22 ARG 38 HH22 ARG 38 -2.911 0.747 12.750 280 H ASN 39 H ASN 39 2.075 -4.174 7.322 281 HA ASN 39 HA ASN 39 -0.209 -6.012 7.027 282 HB2 ASN 39 HB2 ASN 39 0.816 -4.165 4.829 283 HB3 ASN 39 HB3 ASN 39 -0.443 -5.374 4.650 284 HD21 ASN 39 HD22 ASN 39 0.213 -2.148 5.315 285 HD22 ASN 39 HD21 ASN 39 -1.270 -1.661 6.094 286 H HIS 40 H HIS 40 2.661 -6.259 7.828 287 HA HIS 40 HA HIS 40 4.382 -7.665 7.509 288 HB2 HIS 40 HB2 HIS 40 2.564 -9.335 5.776 289 HB3 HIS 40 HB3 HIS 40 3.840 -9.881 6.865 290 HD2 HIS 40 HD2 HIS 40 0.245 -9.872 6.701 291 HE1 HIS 40 HE1 HIS 40 0.902 -9.187 10.846 292 HE2 HIS 40 HE2 HIS 40 -0.821 -9.855 9.095 293 H TRP 41 H TRP 41 4.118 -5.486 5.568 294 HA TRP 41 HA TRP 41 5.031 -4.725 3.687 295 HB2 TRP 41 HB2 TRP 41 7.110 -6.805 4.418 296 HB3 TRP 41 HB3 TRP 41 7.312 -5.646 3.118 297 HD1 TRP 41 HD1 TRP 41 7.008 -5.728 6.928 298 HE1 TRP 41 HE1 TRP 41 7.854 -3.496 7.874 299 HE3 TRP 41 HE3 TRP 41 7.911 -3.395 2.567 300 HZ2 TRP 41 HZ2 TRP 41 8.503 -0.826 6.787 301 HZ3 TRP 41 HZ3 TRP 41 8.664 -1.002 2.495 302 HH2 TRP 41 HH2 TRP 41 8.928 0.272 4.602 303 H ASN 42 H ASN 42 2.995 -6.928 3.336 304 HA ASN 42 HA ASN 42 3.715 -7.834 0.620 305 HB2 ASN 42 HB2 ASN 42 1.348 -8.261 2.490 306 HB3 ASN 42 HB3 ASN 42 1.338 -8.723 0.784 307 HD21 ASN 42 HD22 ASN 42 2.637 -10.413 0.008 308 HD22 ASN 42 HD21 ASN 42 3.398 -11.555 1.091 309 H ILE 43 H ILE 43 3.336 -6.456 -1.092 310 HA ILE 43 HA ILE 43 1.785 -4.062 -0.671 311 HB ILE 43 HB ILE 43 3.287 -5.331 -2.936 312 HG12 ILE 43 HG12 ILE 43 4.234 -3.755 -1.155 313 HG13 ILE 43 HG13 ILE 43 4.518 -3.219 -2.828 314 HG21 ILE 43 HG21 ILE 43 1.285 -3.068 -3.333 315 HG22 ILE 43 HG22 ILE 43 2.572 -3.501 -4.478 316 HG23 ILE 43 HG23 ILE 43 1.274 -4.660 -4.122 317 HD11 ILE 43 HD11 ILE 43 2.182 -2.220 -1.184 318 HD12 ILE 43 HD12 ILE 43 3.806 -1.496 -1.189 319 HD13 ILE 43 HD13 ILE 43 2.852 -1.565 -2.697 320 H ASN 44 H ASN 44 0.901 -7.293 -1.373 321 HA ASN 44 HA ASN 44 -1.572 -6.491 -2.748 322 HB2 ASN 44 HB2 ASN 44 -0.533 -9.192 -1.800 323 HB3 ASN 44 HB3 ASN 44 -1.994 -8.962 -2.767 324 HD21 ASN 44 HD22 ASN 44 0.434 -10.497 -3.452 325 HD22 ASN 44 HD21 ASN 44 1.036 -9.793 -4.936 326 H TYR 45 H TYR 45 -0.549 -6.381 0.375 327 HA TYR 45 HA TYR 45 -3.307 -6.706 1.467 328 HB2 TYR 45 HB2 TYR 45 -0.603 -7.575 2.519 329 HB3 TYR 45 HB3 TYR 45 -1.949 -7.337 3.597 330 HD1 TYR 45 HD1 TYR 45 -3.975 -8.763 3.468 331 HD2 TYR 45 HD2 TYR 45 -0.545 -9.495 0.987 332 HE1 TYR 45 HE1 TYR 45 -4.810 -11.057 3.000 333 HE2 TYR 45 HE2 TYR 45 -1.367 -11.785 0.504 334 HH TYR 45 HH TYR 45 -4.434 -13.024 1.891 335 H ALA 46 H ALA 46 -0.773 -4.637 0.716 336 HA ALA 46 HA ALA 46 -1.124 -2.875 3.081 337 HB1 ALA 46 HB1 ALA 46 0.913 -1.792 2.080 338 HB2 ALA 46 HB2 ALA 46 1.139 -3.516 2.482 339 HB3 ALA 46 HB3 ALA 46 0.869 -3.009 0.793 340 H LEU 47 H LEU 47 -1.670 -3.060 -0.440 341 HA LEU 47 HA LEU 47 -2.199 -0.224 -0.719 342 HB2 LEU 47 HB2 LEU 47 -2.762 -2.679 -2.433 343 HB3 LEU 47 HB3 LEU 47 -3.181 -1.030 -2.933 344 HG LEU 47 HG LEU 47 -0.371 -1.955 -2.243 345 HD11 LEU 47 HD11 LEU 47 -1.731 -1.373 -4.908 346 HD12 LEU 47 HD12 LEU 47 -0.015 -1.779 -4.685 347 HD13 LEU 47 HD13 LEU 47 -1.268 -2.984 -4.309 348 HD21 LEU 47 HD21 LEU 47 0.269 0.202 -3.338 349 HD22 LEU 47 HD22 LEU 47 -1.457 0.637 -3.420 350 HD23 LEU 47 HD23 LEU 47 -0.647 0.455 -1.844 351 H ASN 48 H ASN 48 -4.138 -3.102 0.050 352 HA ASN 48 HA ASN 48 -6.692 -1.848 -0.356 353 HB2 ASN 48 HB2 ASN 48 -6.107 -4.092 1.597 354 HB3 ASN 48 HB3 ASN 48 -7.598 -3.799 0.674 355 HD21 ASN 48 HD22 ASN 48 -4.267 -4.909 0.623 356 HD22 ASN 48 HD21 ASN 48 -4.306 -5.665 -0.961 357 H ASP 49 H ASP 49 -4.436 -2.143 2.354 358 HA ASP 49 HA ASP 49 -6.117 -1.071 4.408 359 HB2 ASP 49 HB2 ASP 49 -3.812 -2.259 4.558 360 HB3 ASP 49 HB3 ASP 49 -3.096 -0.728 4.101 361 H TYR 50 H TYR 50 -4.242 0.398 1.832 362 HA TYR 50 HA TYR 50 -4.631 3.117 2.862 363 HB2 TYR 50 HB2 TYR 50 -2.588 2.399 1.688 364 HB3 TYR 50 HB3 TYR 50 -3.521 2.052 0.236 365 HD1 TYR 50 HD2 TYR 50 -2.196 4.734 2.409 366 HD2 TYR 50 HD1 TYR 50 -4.365 3.818 -1.190 367 HE1 TYR 50 HE2 TYR 50 -1.919 7.084 1.641 368 HE2 TYR 50 HE1 TYR 50 -4.102 6.155 -1.961 369 HH TYR 50 HH TYR 50 -3.263 8.237 -1.473 370 H TYR 51 H TYR 51 -6.046 0.947 0.429 371 HA TYR 51 HA TYR 51 -7.806 2.986 -0.659 372 HB2 TYR 51 HB2 TYR 51 -7.865 -0.047 -0.877 373 HB3 TYR 51 HB3 TYR 51 -8.855 1.065 -1.826 374 HD1 TYR 51 HD1 TYR 51 -6.767 3.211 -2.316 375 HD2 TYR 51 HD2 TYR 51 -6.587 -1.076 -2.619 376 HE1 TYR 51 HE1 TYR 51 -4.977 3.426 -3.985 377 HE2 TYR 51 HE2 TYR 51 -4.802 -0.875 -4.337 378 HH TYR 51 HH TYR 51 -3.567 2.295 -5.443 379 H ASP 52 H ASP 52 -7.798 1.300 2.277 380 HA ASP 52 HA ASP 52 -10.750 1.341 2.568 381 HB2 ASP 52 HB2 ASP 52 -8.405 0.296 4.196 382 HB3 ASP 52 HB3 ASP 52 -10.035 0.342 4.830 383 H LYS 53 H LYS 53 -7.821 3.097 3.443 384 HA LYS 53 HA LYS 53 -9.370 4.615 5.506 385 HB2 LYS 53 HB2 LYS 53 -6.501 3.663 5.555 386 HB3 LYS 53 HB3 LYS 53 -7.269 4.686 6.786 387 HG2 LYS 53 HG2 LYS 53 -8.911 2.953 7.297 388 HG3 LYS 53 HG3 LYS 53 -8.295 1.925 5.981 389 HD2 LYS 53 HD2 LYS 53 -6.082 1.868 7.048 390 HD3 LYS 53 HD3 LYS 53 -6.721 2.814 8.419 391 HE2 LYS 53 HE2 LYS 53 -8.304 1.054 8.971 392 HE3 LYS 53 HE3 LYS 53 -7.914 0.174 7.481 393 HZ1 LYS 53 HZ1 LYS 53 -5.733 -0.205 8.297 394 HZ2 LYS 53 HZ2 LYS 53 -6.021 0.648 9.682 395 HZ3 LYS 53 HZ3 LYS 53 -6.815 -0.764 9.398 396 H GLU 54 H GLU 54 -7.565 4.935 2.579 397 HA GLU 54 HA GLU 54 -7.352 7.865 3.056 398 HB2 GLU 54 HB2 GLU 54 -5.178 6.077 1.902 399 HB3 GLU 54 HB3 GLU 54 -5.129 7.839 1.928 400 HG2 GLU 54 HG2 GLU 54 -5.220 6.060 4.388 401 HG3 GLU 54 HG3 GLU 54 -3.782 6.853 3.743 402 H ILE 55 H ILE 55 -8.989 5.722 1.326 403 HA ILE 55 HA ILE 55 -8.211 6.235 -1.352 404 HB ILE 55 HB ILE 55 -9.504 4.300 -0.604 405 HG12 ILE 55 HG12 ILE 55 -10.942 5.966 -2.700 406 HG13 ILE 55 HG13 ILE 55 -9.450 5.042 -2.963 407 HG21 ILE 55 HG21 ILE 55 -11.901 4.470 -0.132 408 HG22 ILE 55 HG22 ILE 55 -10.986 5.464 1.012 409 HG23 ILE 55 HG23 ILE 55 -11.844 6.234 -0.344 410 HD11 ILE 55 HD11 ILE 55 -10.649 2.951 -2.342 411 HD12 ILE 55 HD12 ILE 55 -12.155 3.895 -2.169 412 HD13 ILE 55 HD13 ILE 55 -11.371 3.754 -3.752 413 H GLY 56 H GLY 56 -9.087 7.609 -2.947 414 HA2 GLY 56 HA2 GLY 56 -9.905 10.211 -1.888 415 HA3 GLY 56 HA3 GLY 56 -9.394 9.829 -3.539 416 H THR 57 H THR 57 -11.707 7.521 -2.784 417 HA THR 57 HA THR 57 -14.054 9.161 -3.391 418 HB THR 57 HB THR 57 -12.970 8.883 -5.599 419 HG1 THR 57 HG1 THR 57 -14.822 8.035 -6.585 420 HG21 THR 57 HG21 THR 57 -11.844 6.701 -5.188 421 HG22 THR 57 HG22 THR 57 -13.431 5.901 -5.146 422 HG23 THR 57 HG23 THR 57 -12.860 6.665 -6.647 423 H PHE 58 H PHE 58 -16.033 7.773 -3.544 424 HA PHE 58 HA PHE 58 -15.714 5.138 -2.222 425 HB2 PHE 58 HB2 PHE 58 -16.018 7.009 -0.539 426 HB3 PHE 58 HB3 PHE 58 -17.625 7.273 -1.219 427 HD1 PHE 58 HD2 PHE 58 -15.419 4.779 0.411 428 HD2 PHE 58 HD1 PHE 58 -19.438 5.848 -0.617 429 HE1 PHE 58 HE2 PHE 58 -16.264 2.957 1.877 430 HE2 PHE 58 HE1 PHE 58 -20.304 4.037 0.867 431 HZ PHE 58 HZ PHE 58 -18.713 2.597 2.117 432 H THR 59 H THR 59 -16.969 6.840 -4.707 433 HA THR 59 HA THR 59 -19.343 5.044 -5.005 434 HB THR 59 HB THR 59 -20.386 6.825 -6.338 435 HG1 THR 59 HG1 THR 59 -18.506 7.954 -6.935 436 HG21 THR 59 HG21 THR 59 -19.545 7.737 -3.556 437 HG22 THR 59 HG22 THR 59 -20.962 8.299 -4.466 438 HG23 THR 59 HG23 THR 59 -20.874 6.611 -3.921 439 H ASP 60 H ASP 60 -19.950 4.582 -7.265 440 HA ASP 60 HA ASP 60 -17.582 4.491 -9.070 441 HB2 ASP 60 HB2 ASP 60 -19.612 2.306 -8.479 442 HB3 ASP 60 HB3 ASP 60 -18.372 2.232 -9.737 443 H GLU 61 H GLU 61 -20.349 6.072 -8.763 444 HA GLU 61 HA GLU 61 -20.769 6.093 -11.673 445 HB2 GLU 61 HB2 GLU 61 -22.392 4.449 -10.737 446 HB3 GLU 61 HB3 GLU 61 -23.039 5.707 -9.670 447 HG2 GLU 61 HG2 GLU 61 -23.743 7.016 -11.623 448 HG3 GLU 61 HG3 GLU 61 -22.990 5.838 -12.713 449 H VAL 62 H VAL 62 -21.720 8.058 -12.436 450 HA VAL 62 HA VAL 62 -21.993 10.254 -10.456 451 HB VAL 62 HB VAL 62 -20.289 10.357 -12.982 452 HG11 VAL 62 HG11 VAL 62 -19.739 12.645 -12.192 453 HG12 VAL 62 HG12 VAL 62 -21.468 12.484 -12.549 454 HG13 VAL 62 HG13 VAL 62 -20.907 12.463 -10.864 455 HG21 VAL 62 HG21 VAL 62 -19.135 9.183 -11.140 456 HG22 VAL 62 HG22 VAL 62 -18.423 10.783 -11.392 457 HG23 VAL 62 HG23 VAL 62 -19.533 10.511 -10.026 Start of MODEL 13 1 HA ILE 6 HA ILE 6 23.548 -6.857 -7.445 2 HB ILE 6 HB ILE 6 24.109 -8.710 -8.961 3 HG12 ILE 6 HG12 ILE 6 21.139 -9.386 -8.811 4 HG13 ILE 6 HG13 ILE 6 21.997 -8.789 -10.240 5 HG21 ILE 6 HG21 ILE 6 22.389 -9.601 -6.614 6 HG22 ILE 6 HG22 ILE 6 23.738 -10.501 -7.345 7 HG23 ILE 6 HG23 ILE 6 24.051 -8.986 -6.482 8 HD11 ILE 6 HD11 ILE 6 21.747 -11.198 -10.408 9 HD12 ILE 6 HD12 ILE 6 23.466 -10.807 -10.162 10 HD13 ILE 6 HD13 ILE 6 22.479 -11.433 -8.814 11 H LYS 7 H LYS 7 20.939 -5.626 -8.814 12 HA LYS 7 HA LYS 7 22.420 -4.718 -11.238 13 HB2 LYS 7 HB2 LYS 7 19.427 -5.204 -10.973 14 HB3 LYS 7 HB3 LYS 7 20.247 -4.525 -12.393 15 HG2 LYS 7 HG2 LYS 7 21.579 -6.613 -12.618 16 HG3 LYS 7 HG3 LYS 7 20.698 -7.306 -11.237 17 HD2 LYS 7 HD2 LYS 7 18.559 -7.032 -12.459 18 HD3 LYS 7 HD3 LYS 7 19.443 -6.360 -13.847 19 HE2 LYS 7 HE2 LYS 7 20.722 -8.472 -14.056 20 HE3 LYS 7 HE3 LYS 7 19.849 -9.141 -12.666 21 HZ1 LYS 7 HZ1 LYS 7 18.621 -8.299 -15.208 22 HZ2 LYS 7 HZ2 LYS 7 18.900 -9.852 -14.748 23 HZ3 LYS 7 HZ3 LYS 7 17.815 -8.932 -13.922 24 H ARG 8 H ARG 8 21.486 -3.802 -8.259 25 HA ARG 8 HA ARG 8 21.288 -0.950 -9.040 26 HB2 ARG 8 HB2 ARG 8 19.507 -2.434 -7.056 27 HB3 ARG 8 HB3 ARG 8 19.605 -0.666 -7.209 28 HG2 ARG 8 HG2 ARG 8 18.909 -0.834 -9.564 29 HG3 ARG 8 HG3 ARG 8 18.747 -2.597 -9.358 30 HD2 ARG 8 HD2 ARG 8 16.555 -1.597 -9.146 31 HD3 ARG 8 HD3 ARG 8 17.063 -2.199 -7.556 32 HE ARG 8 HE ARG 8 17.859 0.504 -7.711 33 HH11 ARG 8 HH11 ARG 8 14.850 -1.358 -7.702 34 HH12 ARG 8 HH12 ARG 8 13.921 -0.059 -6.986 35 HH21 ARG 8 HH21 ARG 8 16.609 2.168 -6.762 36 HH22 ARG 8 HH22 ARG 8 14.902 1.909 -6.465 37 H LYS 9 H LYS 9 21.882 0.484 -7.234 38 HA LYS 9 HA LYS 9 23.533 -0.813 -5.145 39 HB2 LYS 9 HB2 LYS 9 25.337 0.893 -5.574 40 HB3 LYS 9 HB3 LYS 9 25.138 -0.348 -6.812 41 HG2 LYS 9 HG2 LYS 9 25.536 1.790 -7.859 42 HG3 LYS 9 HG3 LYS 9 23.912 1.232 -8.252 43 HD2 LYS 9 HD2 LYS 9 22.936 2.785 -6.628 44 HD3 LYS 9 HD3 LYS 9 24.566 3.261 -6.075 45 HE2 LYS 9 HE2 LYS 9 25.076 4.102 -8.346 46 HE3 LYS 9 HE3 LYS 9 23.457 3.632 -8.885 47 HZ1 LYS 9 HZ1 LYS 9 22.548 5.177 -7.286 48 HZ2 LYS 9 HZ2 LYS 9 24.054 5.598 -6.773 49 HZ3 LYS 9 HZ3 LYS 9 23.573 5.959 -8.303 50 H ASP 10 H ASP 10 20.891 0.754 -5.429 51 HA ASP 10 HA ASP 10 21.384 2.348 -2.998 52 HB2 ASP 10 HB2 ASP 10 21.535 3.833 -5.035 53 HB3 ASP 10 HB3 ASP 10 19.856 3.421 -5.409 54 H ALA 11 H ALA 11 20.031 -0.236 -3.927 55 HA ALA 11 HA ALA 11 17.193 0.334 -3.361 56 HB1 ALA 11 HB1 ALA 11 17.802 -1.037 -5.307 57 HB2 ALA 11 HB2 ALA 11 18.595 -2.214 -4.229 58 HB3 ALA 11 HB3 ALA 11 16.838 -1.965 -4.134 59 H SER 12 H SER 12 15.990 -1.120 -1.934 60 HA SER 12 HA SER 12 17.467 -2.442 0.229 61 HB2 SER 12 HB2 SER 12 16.967 -0.985 1.915 62 HB3 SER 12 HB3 SER 12 17.004 0.191 0.595 63 HG SER 12 HG SER 12 15.109 0.252 1.969 64 HA PRO 13 HA PRO 13 13.932 -5.028 0.106 65 HB2 PRO 13 HB2 PRO 13 13.244 -5.582 2.691 66 HB3 PRO 13 HB3 PRO 13 14.860 -6.062 2.052 67 HG2 PRO 13 HG2 PRO 13 14.178 -3.496 3.559 68 HG3 PRO 13 HG3 PRO 13 15.419 -4.722 4.008 69 HD2 PRO 13 HD2 PRO 13 16.121 -2.565 2.561 70 HD3 PRO 13 HD3 PRO 13 16.742 -4.175 2.072 71 H GLU 14 H GLU 14 13.664 -2.180 2.149 72 HA GLU 14 HA GLU 14 10.759 -2.110 2.185 73 HB2 GLU 14 HB2 GLU 14 12.937 -0.066 2.800 74 HB3 GLU 14 HB3 GLU 14 11.207 0.204 3.063 75 HG2 GLU 14 HG2 GLU 14 11.101 -1.663 4.641 76 HG3 GLU 14 HG3 GLU 14 12.810 -2.016 4.363 77 H GLN 15 H GLN 15 13.415 -0.867 0.166 78 HA GLN 15 HA GLN 15 11.809 1.007 -1.319 79 HB2 GLN 15 HB2 GLN 15 14.559 0.207 -1.117 80 HB3 GLN 15 HB3 GLN 15 14.106 -0.010 -2.808 81 HG2 GLN 15 HG2 GLN 15 14.937 2.294 -2.284 82 HG3 GLN 15 HG3 GLN 15 13.264 2.278 -2.906 83 HE21 GLN 15 HE22 GLN 15 14.476 1.390 0.353 84 HE22 GLN 15 HE21 GLN 15 13.469 2.516 1.227 85 H GLU 16 H GLU 16 12.478 -2.400 -1.555 86 HA GLU 16 HA GLU 16 11.537 -2.601 -4.299 87 HB2 GLU 16 HB2 GLU 16 12.035 -4.708 -2.145 88 HB3 GLU 16 HB3 GLU 16 11.492 -5.096 -3.789 89 HG2 GLU 16 HG2 GLU 16 13.458 -3.883 -4.697 90 HG3 GLU 16 HG3 GLU 16 14.065 -3.633 -3.061 91 H ALA 17 H ALA 17 9.973 -2.223 -1.331 92 HA ALA 17 HA ALA 17 7.398 -3.181 -2.524 93 HB1 ALA 17 HB1 ALA 17 8.157 -2.753 0.386 94 HB2 ALA 17 HB2 ALA 17 6.584 -3.331 -0.216 95 HB3 ALA 17 HB3 ALA 17 8.044 -4.319 -0.449 96 H ILE 18 H ILE 18 9.140 -0.382 -1.247 97 HA ILE 18 HA ILE 18 6.739 1.254 -1.004 98 HB ILE 18 HB ILE 18 9.721 1.720 -0.727 99 HG12 ILE 18 HG12 ILE 18 7.420 2.081 1.246 100 HG13 ILE 18 HG13 ILE 18 8.286 0.555 1.051 101 HG21 ILE 18 HG21 ILE 18 7.513 3.809 -0.561 102 HG22 ILE 18 HG22 ILE 18 9.185 4.041 -0.001 103 HG23 ILE 18 HG23 ILE 18 8.856 3.772 -1.721 104 HD11 ILE 18 HD11 ILE 18 9.244 1.762 2.927 105 HD12 ILE 18 HD12 ILE 18 10.430 1.727 1.613 106 HD13 ILE 18 HD13 ILE 18 9.496 3.211 1.931 107 H GLU 19 H GLU 19 9.242 0.637 -3.511 108 HA GLU 19 HA GLU 19 8.574 3.010 -5.008 109 HB2 GLU 19 HB2 GLU 19 9.947 0.400 -5.731 110 HB3 GLU 19 HB3 GLU 19 9.722 1.731 -6.882 111 HG2 GLU 19 HG2 GLU 19 10.937 3.269 -5.429 112 HG3 GLU 19 HG3 GLU 19 11.141 2.022 -4.200 113 H SER 20 H SER 20 7.200 -0.297 -4.907 114 HA SER 20 HA SER 20 5.528 0.200 -7.250 115 HB2 SER 20 HB2 SER 20 5.655 -2.004 -5.154 116 HB3 SER 20 HB3 SER 20 4.633 -2.038 -6.604 117 HG SER 20 HG SER 20 6.646 -3.107 -6.927 118 H PHE 21 H PHE 21 5.312 0.651 -3.761 119 HA PHE 21 HA PHE 21 2.417 0.733 -3.664 120 HB2 PHE 21 HB2 PHE 21 4.035 0.316 -1.762 121 HB3 PHE 21 HB3 PHE 21 4.490 1.983 -1.825 122 HD1 PHE 21 HD2 PHE 21 2.382 3.716 -1.678 123 HD2 PHE 21 HD1 PHE 21 2.377 -0.332 -0.196 124 HE1 PHE 21 HE2 PHE 21 0.453 4.238 -0.222 125 HE2 PHE 21 HE1 PHE 21 0.457 0.209 1.253 126 HZ PHE 21 HZ PHE 21 -0.530 2.478 1.225 127 H THR 22 H THR 22 5.039 3.147 -3.780 128 HA THR 22 HA THR 22 3.298 5.448 -3.980 129 HB THR 22 HB THR 22 6.095 5.426 -5.056 130 HG1 THR 22 HG1 THR 22 6.323 4.266 -3.146 131 HG21 THR 22 HG21 THR 22 4.811 7.547 -4.978 132 HG22 THR 22 HG22 THR 22 4.565 7.325 -3.223 133 HG23 THR 22 HG23 THR 22 6.195 7.603 -3.862 134 H SER 23 H SER 23 4.059 2.988 -6.213 135 HA SER 23 HA SER 23 3.804 4.761 -8.542 136 HB2 SER 23 HB2 SER 23 4.175 1.783 -8.193 137 HB3 SER 23 HB3 SER 23 3.953 2.528 -9.782 138 HG SER 23 HG SER 23 6.090 2.909 -7.980 139 H LEU 24 H LEU 24 1.842 2.873 -6.431 140 HA LEU 24 HA LEU 24 -0.404 2.789 -8.398 141 HB2 LEU 24 HB2 LEU 24 0.340 1.024 -6.039 142 HB3 LEU 24 HB3 LEU 24 -1.235 0.969 -6.851 143 HG LEU 24 HG LEU 24 1.444 0.538 -8.255 144 HD11 LEU 24 HD11 LEU 24 0.800 -1.850 -8.300 145 HD12 LEU 24 HD12 LEU 24 0.997 -1.255 -6.640 146 HD13 LEU 24 HD13 LEU 24 -0.636 -1.479 -7.314 147 HD21 LEU 24 HD21 LEU 24 0.010 -0.414 -10.061 148 HD22 LEU 24 HD22 LEU 24 -1.434 0.088 -9.151 149 HD23 LEU 24 HD23 LEU 24 -0.310 1.309 -9.796 150 H THR 25 H THR 25 0.790 4.275 -5.615 151 HA THR 25 HA THR 25 -1.866 5.522 -5.207 152 HB THR 25 HB THR 25 -1.380 5.820 -2.839 153 HG1 THR 25 HG1 THR 25 0.935 4.285 -3.359 154 HG21 THR 25 HG21 THR 25 -1.519 3.488 -2.062 155 HG22 THR 25 HG22 THR 25 -2.540 3.728 -3.495 156 HG23 THR 25 HG23 THR 25 -0.970 2.904 -3.650 157 H LYS 26 H LYS 26 -1.384 7.839 -4.106 158 HA LYS 26 HA LYS 26 1.062 8.907 -5.428 159 HB2 LYS 26 HB2 LYS 26 -1.719 10.116 -5.423 160 HB3 LYS 26 HB3 LYS 26 -0.269 10.926 -6.029 161 HG2 LYS 26 HG2 LYS 26 -1.415 8.304 -7.088 162 HG3 LYS 26 HG3 LYS 26 -1.585 9.882 -7.856 163 HD2 LYS 26 HD2 LYS 26 1.056 8.409 -7.393 164 HD3 LYS 26 HD3 LYS 26 0.197 8.511 -8.921 165 HE2 LYS 26 HE2 LYS 26 1.303 10.884 -7.353 166 HE3 LYS 26 HE3 LYS 26 2.071 10.139 -8.758 167 HZ1 LYS 26 HZ1 LYS 26 -0.570 11.444 -8.761 168 HZ2 LYS 26 HZ2 LYS 26 0.820 12.074 -9.373 169 HZ3 LYS 26 HZ3 LYS 26 0.151 10.741 -10.059 170 H CYS 27 H CYS 27 0.593 8.098 -2.614 171 HA CYS 27 HA CYS 27 0.873 10.668 -1.195 172 HB2 CYS 27 HB2 CYS 27 1.115 9.239 0.789 173 HB3 CYS 27 HB3 CYS 27 -0.325 8.775 -0.140 174 HG CYS 27 HG CYS 27 2.701 7.443 -0.211 175 H ASP 28 H ASP 28 2.901 10.629 0.442 176 HA ASP 28 HA ASP 28 5.264 10.591 -1.203 177 HB2 ASP 28 HB2 ASP 28 4.781 10.962 1.773 178 HB3 ASP 28 HB3 ASP 28 6.335 11.214 0.972 179 HA PRO 29 HA PRO 29 6.727 6.469 -0.561 180 HB2 PRO 29 HB2 PRO 29 9.313 7.805 0.261 181 HB3 PRO 29 HB3 PRO 29 9.078 6.438 -0.861 182 HG2 PRO 29 HG2 PRO 29 9.515 8.923 -1.858 183 HG3 PRO 29 HG3 PRO 29 8.144 7.980 -2.536 184 HD2 PRO 29 HD2 PRO 29 8.057 10.077 -0.332 185 HD3 PRO 29 HD3 PRO 29 7.036 9.981 -1.790 186 H LYS 30 H LYS 30 7.251 8.954 1.853 187 HA LYS 30 HA LYS 30 8.247 7.219 3.900 188 HB2 LYS 30 HB2 LYS 30 7.322 10.081 3.671 189 HB3 LYS 30 HB3 LYS 30 7.555 9.390 5.296 190 HG2 LYS 30 HG2 LYS 30 9.541 10.539 4.660 191 HG3 LYS 30 HG3 LYS 30 9.855 8.803 4.792 192 HD2 LYS 30 HD2 LYS 30 9.847 8.565 2.362 193 HD3 LYS 30 HD3 LYS 30 9.377 10.283 2.171 194 HE2 LYS 30 HE2 LYS 30 11.393 10.956 3.412 195 HE3 LYS 30 HE3 LYS 30 11.860 9.257 3.588 196 HZ1 LYS 30 HZ1 LYS 30 11.596 10.709 1.031 197 HZ2 LYS 30 HZ2 LYS 30 13.013 10.306 1.755 198 HZ3 LYS 30 HZ3 LYS 30 12.026 9.123 1.183 199 H VAL 31 H VAL 31 5.094 7.911 2.667 200 HA VAL 31 HA VAL 31 3.692 7.064 5.116 201 HB VAL 31 HB VAL 31 2.719 7.795 2.324 202 HG11 VAL 31 HG11 VAL 31 1.168 7.306 4.906 203 HG12 VAL 31 HG12 VAL 31 0.484 7.967 3.402 204 HG13 VAL 31 HG13 VAL 31 1.098 6.313 3.426 205 HG21 VAL 31 HG21 VAL 31 1.962 9.870 3.421 206 HG22 VAL 31 HG22 VAL 31 2.712 9.341 4.947 207 HG23 VAL 31 HG23 VAL 31 3.726 9.688 3.525 208 H SER 32 H SER 32 4.891 5.767 2.055 209 HA SER 32 HA SER 32 3.240 3.427 1.968 210 HB2 SER 32 HB2 SER 32 6.054 3.877 0.899 211 HB3 SER 32 HB3 SER 32 4.890 2.658 0.335 212 HG SER 32 HG SER 32 4.950 4.572 -0.974 213 H ARG 33 H ARG 33 6.152 4.311 3.755 214 HA ARG 33 HA ARG 33 7.067 1.657 4.370 215 HB2 ARG 33 HB2 ARG 33 8.525 3.608 4.491 216 HB3 ARG 33 HB3 ARG 33 7.446 4.394 5.652 217 HG2 ARG 33 HG2 ARG 33 7.959 2.674 7.344 218 HG3 ARG 33 HG3 ARG 33 8.992 1.822 6.177 219 HD2 ARG 33 HD2 ARG 33 10.367 3.184 7.662 220 HD3 ARG 33 HD3 ARG 33 10.443 3.811 6.003 221 HE ARG 33 HE ARG 33 8.378 5.107 7.577 222 HH11 ARG 33 HH11 ARG 33 11.854 5.082 6.913 223 HH12 ARG 33 HH12 ARG 33 12.065 6.760 7.361 224 HH21 ARG 33 HH21 ARG 33 8.688 7.292 8.136 225 HH22 ARG 33 HH22 ARG 33 10.284 8.004 8.058 226 H LYS 34 H LYS 34 4.849 3.942 6.029 227 HA LYS 34 HA LYS 34 4.644 2.199 8.340 228 HB2 LYS 34 HB2 LYS 34 3.450 3.898 9.303 229 HB3 LYS 34 HB3 LYS 34 4.284 4.817 8.032 230 HG2 LYS 34 HG2 LYS 34 2.272 4.660 6.600 231 HG3 LYS 34 HG3 LYS 34 1.428 3.770 7.890 232 HD2 LYS 34 HD2 LYS 34 1.763 5.699 9.421 233 HD3 LYS 34 HD3 LYS 34 2.549 6.595 8.100 234 HE2 LYS 34 HE2 LYS 34 0.488 6.414 6.748 235 HE3 LYS 34 HE3 LYS 34 -0.290 5.495 8.041 236 HZ1 LYS 34 HZ1 LYS 34 0.676 8.269 8.271 237 HZ2 LYS 34 HZ2 LYS 34 -0.896 7.809 8.123 238 HZ3 LYS 34 HZ3 LYS 34 -0.050 7.409 9.472 239 H TYR 35 H TYR 35 2.966 2.637 5.299 240 HA TYR 35 HA TYR 35 0.746 0.961 6.154 241 HB2 TYR 35 HB2 TYR 35 1.405 2.566 3.718 242 HB3 TYR 35 HB3 TYR 35 0.350 1.179 3.478 243 HD1 TYR 35 HD2 TYR 35 -1.783 0.935 4.778 244 HD2 TYR 35 HD1 TYR 35 0.526 4.562 4.708 245 HE1 TYR 35 HE2 TYR 35 -3.769 2.209 5.533 246 HE2 TYR 35 HE1 TYR 35 -1.453 5.848 5.463 247 HH TYR 35 HH TYR 35 -3.664 5.744 6.114 248 H LEU 36 H LEU 36 3.718 0.040 5.822 249 HA LEU 36 HA LEU 36 2.916 -2.566 4.608 250 HB2 LEU 36 HB2 LEU 36 5.486 -0.952 4.301 251 HB3 LEU 36 HB3 LEU 36 5.431 -2.682 3.950 252 HG LEU 36 HG LEU 36 3.575 -0.695 2.584 253 HD11 LEU 36 HD11 LEU 36 6.216 -1.845 1.595 254 HD12 LEU 36 HD12 LEU 36 5.111 -0.799 0.673 255 HD13 LEU 36 HD13 LEU 36 5.959 -0.158 2.095 256 HD21 LEU 36 HD21 LEU 36 3.306 -2.519 0.974 257 HD22 LEU 36 HD22 LEU 36 4.510 -3.503 1.839 258 HD23 LEU 36 HD23 LEU 36 2.946 -3.137 2.601 259 H GLN 37 H GLN 37 4.535 -0.759 7.146 260 HA GLN 37 HA GLN 37 5.601 -3.043 8.535 261 HB2 GLN 37 HB2 GLN 37 5.367 -0.135 8.826 262 HB3 GLN 37 HB3 GLN 37 5.257 -0.998 10.387 263 HG2 GLN 37 HG2 GLN 37 7.406 -1.929 10.143 264 HG3 GLN 37 HG3 GLN 37 7.342 -1.818 8.384 265 HE21 GLN 37 HE22 GLN 37 9.565 -0.994 8.772 266 HE22 GLN 37 HE21 GLN 37 9.691 0.752 8.824 267 H ARG 38 H ARG 38 2.546 -2.548 7.710 268 HA ARG 38 HA ARG 38 1.418 -3.538 10.274 269 HB2 ARG 38 HB2 ARG 38 -0.646 -2.256 9.742 270 HB3 ARG 38 HB3 ARG 38 0.781 -1.235 10.019 271 HG2 ARG 38 HG2 ARG 38 1.025 -1.060 7.512 272 HG3 ARG 38 HG3 ARG 38 -0.502 -1.957 7.355 273 HD2 ARG 38 HD2 ARG 38 -0.140 0.676 8.855 274 HD3 ARG 38 HD3 ARG 38 -0.826 0.509 7.232 275 HE ARG 38 HE ARG 38 -2.766 -0.485 8.095 276 HH11 ARG 38 HH11 ARG 38 -0.540 0.477 10.679 277 HH12 ARG 38 HH12 ARG 38 -1.759 0.346 11.922 278 HH21 ARG 38 HH21 ARG 38 -4.317 -0.649 9.735 279 HH22 ARG 38 HH22 ARG 38 -3.890 -0.283 11.391 280 H ASN 39 H ASN 39 2.359 -4.775 7.565 281 HA ASN 39 HA ASN 39 0.202 -6.727 7.407 282 HB2 ASN 39 HB2 ASN 39 -0.132 -6.267 4.894 283 HB3 ASN 39 HB3 ASN 39 -0.782 -5.021 5.995 284 HD21 ASN 39 HD22 ASN 39 -0.376 -3.032 5.692 285 HD22 ASN 39 HD21 ASN 39 1.001 -2.390 4.834 286 H HIS 40 H HIS 40 3.159 -6.589 7.935 287 HA HIS 40 HA HIS 40 4.999 -7.802 7.484 288 HB2 HIS 40 HB2 HIS 40 3.278 -9.734 5.937 289 HB3 HIS 40 HB3 HIS 40 4.706 -10.069 6.927 290 HD2 HIS 40 HD2 HIS 40 1.127 -10.506 7.047 291 HE1 HIS 40 HE1 HIS 40 2.035 -9.700 11.125 292 HE2 HIS 40 HE2 HIS 40 0.261 -10.582 9.523 293 H TRP 41 H TRP 41 4.229 -5.704 5.559 294 HA TRP 41 HA TRP 41 4.976 -4.801 3.666 295 HB2 TRP 41 HB2 TRP 41 7.260 -6.739 4.108 296 HB3 TRP 41 HB3 TRP 41 7.258 -5.448 2.919 297 HD1 TRP 41 HD1 TRP 41 7.052 -5.850 6.733 298 HE1 TRP 41 HE1 TRP 41 7.871 -3.673 7.828 299 HE3 TRP 41 HE3 TRP 41 7.841 -3.196 2.541 300 HZ2 TRP 41 HZ2 TRP 41 8.524 -0.943 6.925 301 HZ3 TRP 41 HZ3 TRP 41 8.596 -0.806 2.624 302 HH2 TRP 41 HH2 TRP 41 8.901 0.317 4.812 303 H ASN 42 H ASN 42 2.990 -6.928 3.325 304 HA ASN 42 HA ASN 42 3.631 -7.874 0.597 305 HB2 ASN 42 HB2 ASN 42 1.348 -8.303 2.568 306 HB3 ASN 42 HB3 ASN 42 1.236 -8.757 0.866 307 HD21 ASN 42 HD22 ASN 42 2.470 -10.463 0.020 308 HD22 ASN 42 HD21 ASN 42 3.302 -11.601 1.055 309 H ILE 43 H ILE 43 3.282 -6.450 -1.061 310 HA ILE 43 HA ILE 43 1.715 -4.078 -0.633 311 HB ILE 43 HB ILE 43 3.246 -5.315 -2.889 312 HG12 ILE 43 HG12 ILE 43 4.175 -3.761 -1.090 313 HG13 ILE 43 HG13 ILE 43 4.470 -3.208 -2.757 314 HG21 ILE 43 HG21 ILE 43 1.250 -3.050 -3.299 315 HG22 ILE 43 HG22 ILE 43 2.553 -3.478 -4.424 316 HG23 ILE 43 HG23 ILE 43 1.248 -4.637 -4.100 317 HD11 ILE 43 HD11 ILE 43 3.749 -1.494 -1.111 318 HD12 ILE 43 HD12 ILE 43 2.787 -1.556 -2.617 319 HD13 ILE 43 HD13 ILE 43 2.133 -2.232 -1.103 320 H ASN 44 H ASN 44 0.852 -7.295 -1.399 321 HA ASN 44 HA ASN 44 -1.619 -6.499 -2.788 322 HB2 ASN 44 HB2 ASN 44 -0.567 -9.210 -1.872 323 HB3 ASN 44 HB3 ASN 44 -2.018 -8.967 -2.847 324 HD21 ASN 44 HD22 ASN 44 0.424 -10.476 -3.521 325 HD22 ASN 44 HD21 ASN 44 1.047 -9.742 -4.986 326 H TYR 45 H TYR 45 -0.606 -6.428 0.329 327 HA TYR 45 HA TYR 45 -3.340 -6.735 1.429 328 HB2 TYR 45 HB2 TYR 45 -0.687 -7.826 2.411 329 HB3 TYR 45 HB3 TYR 45 -2.023 -7.590 3.512 330 HD1 TYR 45 HD2 TYR 45 -4.154 -8.886 3.200 331 HD2 TYR 45 HD1 TYR 45 -0.638 -9.673 0.853 332 HE1 TYR 45 HE2 TYR 45 -5.087 -11.092 2.549 333 HE2 TYR 45 HE1 TYR 45 -1.548 -11.880 0.206 334 HH TYR 45 HH TYR 45 -3.317 -13.342 0.387 335 H ALA 46 H ALA 46 -1.276 -4.545 0.503 336 HA ALA 46 HA ALA 46 -1.372 -2.908 3.006 337 HB1 ALA 46 HB1 ALA 46 0.675 -2.999 0.752 338 HB2 ALA 46 HB2 ALA 46 0.699 -1.853 2.104 339 HB3 ALA 46 HB3 ALA 46 0.902 -3.602 2.411 340 H LEU 47 H LEU 47 -1.675 -2.989 -0.568 341 HA LEU 47 HA LEU 47 -2.255 -0.185 -0.839 342 HB2 LEU 47 HB2 LEU 47 -2.800 -2.652 -2.541 343 HB3 LEU 47 HB3 LEU 47 -3.215 -1.009 -3.067 344 HG LEU 47 HG LEU 47 -0.416 -1.918 -2.324 345 HD11 LEU 47 HD11 LEU 47 -1.731 -1.430 -5.032 346 HD12 LEU 47 HD12 LEU 47 -0.015 -1.826 -4.761 347 HD13 LEU 47 HD13 LEU 47 -1.278 -3.016 -4.369 348 HD21 LEU 47 HD21 LEU 47 -1.476 0.632 -3.615 349 HD22 LEU 47 HD22 LEU 47 -0.730 0.505 -2.001 350 HD23 LEU 47 HD23 LEU 47 0.240 0.211 -3.455 351 H ASN 48 H ASN 48 -4.196 -3.072 -0.131 352 HA ASN 48 HA ASN 48 -6.754 -1.876 -0.560 353 HB2 ASN 48 HB2 ASN 48 -6.117 -4.060 1.456 354 HB3 ASN 48 HB3 ASN 48 -7.613 -3.828 0.527 355 HD21 ASN 48 HD22 ASN 48 -4.259 -4.852 0.510 356 HD22 ASN 48 HD21 ASN 48 -4.262 -5.619 -1.068 357 H ASP 49 H ASP 49 -4.528 -2.022 2.199 358 HA ASP 49 HA ASP 49 -6.374 -0.958 4.129 359 HB2 ASP 49 HB2 ASP 49 -3.982 -2.104 4.395 360 HB3 ASP 49 HB3 ASP 49 -3.404 -0.445 4.266 361 H TYR 50 H TYR 50 -4.352 0.480 1.653 362 HA TYR 50 HA TYR 50 -4.679 3.213 2.646 363 HB2 TYR 50 HB2 TYR 50 -2.662 2.439 1.482 364 HB3 TYR 50 HB3 TYR 50 -3.595 2.062 0.043 365 HD1 TYR 50 HD2 TYR 50 -4.526 3.817 -1.383 366 HD2 TYR 50 HD1 TYR 50 -2.084 4.757 2.025 367 HE1 TYR 50 HE2 TYR 50 -4.201 6.114 -2.263 368 HE2 TYR 50 HE1 TYR 50 -1.753 7.055 1.169 369 HH TYR 50 HH TYR 50 -2.252 8.565 -0.509 370 H TYR 51 H TYR 51 -6.154 1.024 0.290 371 HA TYR 51 HA TYR 51 -7.889 3.063 -0.856 372 HB2 TYR 51 HB2 TYR 51 -8.008 0.028 -0.996 373 HB3 TYR 51 HB3 TYR 51 -8.962 1.144 -1.973 374 HD1 TYR 51 HD1 TYR 51 -6.850 3.217 -2.540 375 HD2 TYR 51 HD2 TYR 51 -6.720 -1.082 -2.675 376 HE1 TYR 51 HE1 TYR 51 -5.036 3.334 -4.210 377 HE2 TYR 51 HE2 TYR 51 -4.910 -0.976 -4.368 378 HH TYR 51 HH TYR 51 -3.601 2.133 -5.575 379 H ASP 52 H ASP 52 -7.848 1.543 2.147 380 HA ASP 52 HA ASP 52 -10.801 1.706 2.474 381 HB2 ASP 52 HB2 ASP 52 -8.526 0.534 4.108 382 HB3 ASP 52 HB3 ASP 52 -10.170 0.663 4.704 383 H LYS 53 H LYS 53 -7.750 3.282 3.311 384 HA LYS 53 HA LYS 53 -9.169 4.879 5.401 385 HB2 LYS 53 HB2 LYS 53 -6.315 3.864 5.341 386 HB3 LYS 53 HB3 LYS 53 -7.042 4.880 6.602 387 HG2 LYS 53 HG2 LYS 53 -8.700 3.139 7.103 388 HG3 LYS 53 HG3 LYS 53 -8.020 2.093 5.830 389 HD2 LYS 53 HD2 LYS 53 -5.829 2.153 6.935 390 HD3 LYS 53 HD3 LYS 53 -6.512 3.130 8.252 391 HE2 LYS 53 HE2 LYS 53 -7.426 0.326 7.445 392 HE3 LYS 53 HE3 LYS 53 -6.375 0.688 8.818 393 HZ1 LYS 53 HZ1 LYS 53 -8.162 1.971 9.776 394 HZ2 LYS 53 HZ2 LYS 53 -9.137 1.658 8.492 395 HZ3 LYS 53 HZ3 LYS 53 -8.661 0.435 9.485 396 H GLU 54 H GLU 54 -7.449 5.077 2.415 397 HA GLU 54 HA GLU 54 -7.086 8.002 2.834 398 HB2 GLU 54 HB2 GLU 54 -5.112 6.127 1.496 399 HB3 GLU 54 HB3 GLU 54 -4.952 7.881 1.598 400 HG2 GLU 54 HG2 GLU 54 -4.988 5.968 3.969 401 HG3 GLU 54 HG3 GLU 54 -3.546 6.693 3.258 402 H ILE 55 H ILE 55 -8.873 5.845 1.239 403 HA ILE 55 HA ILE 55 -8.379 6.346 -1.498 404 HB ILE 55 HB ILE 55 -9.639 4.451 -0.665 405 HG12 ILE 55 HG12 ILE 55 -11.391 6.192 -2.431 406 HG13 ILE 55 HG13 ILE 55 -9.940 5.334 -2.987 407 HG21 ILE 55 HG21 ILE 55 -11.814 6.465 0.047 408 HG22 ILE 55 HG22 ILE 55 -11.951 4.699 0.164 409 HG23 ILE 55 HG23 ILE 55 -10.814 5.564 1.208 410 HD11 ILE 55 HD11 ILE 55 -10.949 3.176 -2.303 411 HD12 ILE 55 HD12 ILE 55 -12.434 4.033 -1.805 412 HD13 ILE 55 HD13 ILE 55 -11.937 4.028 -3.509 413 H GLY 56 H GLY 56 -9.571 7.679 -3.016 414 HA2 GLY 56 HA2 GLY 56 -9.778 10.376 -2.075 415 HA3 GLY 56 HA3 GLY 56 -10.109 9.786 -3.712 416 H THR 57 H THR 57 -12.177 7.832 -2.311 417 HA THR 57 HA THR 57 -14.226 9.698 -1.393 418 HB THR 57 HB THR 57 -14.359 9.983 -3.842 419 HG1 THR 57 HG1 THR 57 -16.552 9.567 -3.930 420 HG21 THR 57 HG21 THR 57 -13.548 7.747 -4.548 421 HG22 THR 57 HG22 THR 57 -15.017 7.004 -3.874 422 HG23 THR 57 HG23 THR 57 -15.133 8.120 -5.256 423 H PHE 58 H PHE 58 -16.213 8.601 -0.764 424 HA PHE 58 HA PHE 58 -15.809 5.712 -0.148 425 HB2 PHE 58 HB2 PHE 58 -17.058 7.906 1.530 426 HB3 PHE 58 HB3 PHE 58 -17.055 6.179 1.934 427 HD1 PHE 58 HD2 PHE 58 -14.975 5.015 2.481 428 HD2 PHE 58 HD1 PHE 58 -15.032 9.229 1.679 429 HE1 PHE 58 HE2 PHE 58 -12.709 5.212 3.449 430 HE2 PHE 58 HE1 PHE 58 -12.749 9.447 2.666 431 HZ PHE 58 HZ PHE 58 -11.592 7.440 3.558 432 H THR 59 H THR 59 -17.379 7.653 -2.151 433 HA THR 59 HA THR 59 -19.849 6.005 -2.177 434 HB THR 59 HB THR 59 -20.362 8.103 -1.027 435 HG1 THR 59 HG1 THR 59 -21.966 7.209 -2.273 436 HG21 THR 59 HG21 THR 59 -18.682 9.581 -2.074 437 HG22 THR 59 HG22 THR 59 -19.542 9.459 -3.630 438 HG23 THR 59 HG23 THR 59 -20.320 10.246 -2.241 439 H ASP 60 H ASP 60 -21.088 6.634 -4.360 440 HA ASP 60 HA ASP 60 -19.211 5.859 -6.447 441 HB2 ASP 60 HB2 ASP 60 -22.219 6.294 -6.500 442 HB3 ASP 60 HB3 ASP 60 -21.259 5.563 -7.797 443 H GLU 61 H GLU 61 -19.514 8.796 -5.266 444 HA GLU 61 HA GLU 61 -19.271 10.038 -7.949 445 HB2 GLU 61 HB2 GLU 61 -20.750 11.142 -5.522 446 HB3 GLU 61 HB3 GLU 61 -20.365 12.069 -6.986 447 HG2 GLU 61 HG2 GLU 61 -21.655 10.427 -8.332 448 HG3 GLU 61 HG3 GLU 61 -22.098 9.564 -6.848 449 H VAL 62 H VAL 62 -18.069 12.111 -7.876 450 HA VAL 62 HA VAL 62 -16.144 12.325 -5.627 451 HB VAL 62 HB VAL 62 -15.397 12.214 -8.580 452 HG11 VAL 62 HG11 VAL 62 -13.709 12.571 -6.066 453 HG12 VAL 62 HG12 VAL 62 -13.077 12.353 -7.716 454 HG13 VAL 62 HG13 VAL 62 -14.006 13.810 -7.309 455 HG21 VAL 62 HG21 VAL 62 -15.848 9.967 -7.685 456 HG22 VAL 62 HG22 VAL 62 -14.103 10.195 -7.899 457 HG23 VAL 62 HG23 VAL 62 -14.817 10.304 -6.276 Start of MODEL 14 1 HA ILE 6 HA ILE 6 17.697 -4.426 -3.325 2 HB ILE 6 HB ILE 6 18.674 -6.869 -1.797 3 HG12 ILE 6 HG12 ILE 6 16.052 -5.326 -1.568 4 HG13 ILE 6 HG13 ILE 6 16.224 -6.954 -2.239 5 HG21 ILE 6 HG21 ILE 6 18.119 -3.991 -0.944 6 HG22 ILE 6 HG22 ILE 6 18.552 -5.314 0.162 7 HG23 ILE 6 HG23 ILE 6 19.720 -4.771 -1.032 8 HD11 ILE 6 HD11 ILE 6 15.428 -7.154 0.019 9 HD12 ILE 6 HD12 ILE 6 17.105 -7.742 -0.038 10 HD13 ILE 6 HD13 ILE 6 16.735 -6.135 0.642 11 H LYS 7 H LYS 7 19.284 -6.379 -5.404 12 HA LYS 7 HA LYS 7 22.036 -5.761 -4.702 13 HB2 LYS 7 HB2 LYS 7 20.817 -6.939 -7.235 14 HB3 LYS 7 HB3 LYS 7 22.551 -6.863 -6.868 15 HG2 LYS 7 HG2 LYS 7 22.193 -8.243 -4.845 16 HG3 LYS 7 HG3 LYS 7 20.459 -8.354 -5.229 17 HD2 LYS 7 HD2 LYS 7 21.008 -9.436 -7.391 18 HD3 LYS 7 HD3 LYS 7 22.738 -9.334 -7.000 19 HE2 LYS 7 HE2 LYS 7 22.363 -10.719 -4.984 20 HE3 LYS 7 HE3 LYS 7 20.636 -10.826 -5.368 21 HZ1 LYS 7 HZ1 LYS 7 22.824 -11.844 -7.051 22 HZ2 LYS 7 HZ2 LYS 7 21.820 -12.759 -6.129 23 HZ3 LYS 7 HZ3 LYS 7 21.222 -11.924 -7.415 24 H ARG 8 H ARG 8 19.635 -3.830 -5.800 25 HA ARG 8 HA ARG 8 21.032 -2.315 -7.849 26 HB2 ARG 8 HB2 ARG 8 18.644 -1.683 -6.070 27 HB3 ARG 8 HB3 ARG 8 19.191 -0.656 -7.416 28 HG2 ARG 8 HG2 ARG 8 18.631 -2.249 -9.034 29 HG3 ARG 8 HG3 ARG 8 18.476 -3.542 -7.821 30 HD2 ARG 8 HD2 ARG 8 16.252 -2.809 -8.540 31 HD3 ARG 8 HD3 ARG 8 16.521 -2.416 -6.836 32 HE ARG 8 HE ARG 8 17.088 -0.290 -8.816 33 HH11 ARG 8 HH11 ARG 8 14.832 -1.632 -6.419 34 HH12 ARG 8 HH12 ARG 8 13.988 -0.118 -6.228 35 HH21 ARG 8 HH21 ARG 8 15.885 1.651 -8.559 36 HH22 ARG 8 HH22 ARG 8 14.524 1.680 -7.462 37 H LYS 9 H LYS 9 22.034 -0.258 -7.608 38 HA LYS 9 HA LYS 9 23.463 0.014 -5.091 39 HB2 LYS 9 HB2 LYS 9 23.573 1.600 -7.684 40 HB3 LYS 9 HB3 LYS 9 24.742 1.706 -6.349 41 HG2 LYS 9 HG2 LYS 9 25.331 -0.663 -6.633 42 HG3 LYS 9 HG3 LYS 9 24.137 -0.836 -7.941 43 HD2 LYS 9 HD2 LYS 9 25.309 0.827 -9.291 44 HD3 LYS 9 HD3 LYS 9 26.449 1.123 -7.960 45 HE2 LYS 9 HE2 LYS 9 27.203 -1.244 -8.097 46 HE3 LYS 9 HE3 LYS 9 26.068 -1.530 -9.428 47 HZ1 LYS 9 HZ1 LYS 9 28.319 0.367 -9.473 48 HZ2 LYS 9 HZ2 LYS 9 28.275 -1.090 -10.236 49 HZ3 LYS 9 HZ3 LYS 9 27.264 0.118 -10.705 50 H ASP 10 H ASP 10 20.452 0.831 -5.579 51 HA ASP 10 HA ASP 10 20.647 3.154 -3.812 52 HB2 ASP 10 HB2 ASP 10 20.788 4.055 -6.156 53 HB3 ASP 10 HB3 ASP 10 19.193 3.367 -6.483 54 H ALA 11 H ALA 11 19.631 0.370 -3.595 55 HA ALA 11 HA ALA 11 16.777 1.009 -3.003 56 HB1 ALA 11 HB1 ALA 11 17.796 -1.599 -4.167 57 HB2 ALA 11 HB2 ALA 11 16.106 -1.157 -3.849 58 HB3 ALA 11 HB3 ALA 11 17.015 -0.307 -5.116 59 H SER 12 H SER 12 15.784 -0.796 -1.675 60 HA SER 12 HA SER 12 17.529 -2.081 0.296 61 HB2 SER 12 HB2 SER 12 16.955 -0.765 2.109 62 HB3 SER 12 HB3 SER 12 16.916 0.469 0.848 63 HG SER 12 HG SER 12 15.034 0.360 2.254 64 HA PRO 13 HA PRO 13 14.134 -4.933 0.320 65 HB2 PRO 13 HB2 PRO 13 13.379 -5.384 2.892 66 HB3 PRO 13 HB3 PRO 13 15.008 -5.886 2.298 67 HG2 PRO 13 HG2 PRO 13 14.287 -3.292 3.731 68 HG3 PRO 13 HG3 PRO 13 15.556 -4.483 4.206 69 HD2 PRO 13 HD2 PRO 13 16.211 -2.343 2.743 70 HD3 PRO 13 HD3 PRO 13 16.863 -3.944 2.261 71 H GLU 14 H GLU 14 13.673 -2.064 2.325 72 HA GLU 14 HA GLU 14 10.765 -2.172 2.288 73 HB2 GLU 14 HB2 GLU 14 12.785 -0.005 3.018 74 HB3 GLU 14 HB3 GLU 14 11.030 0.143 3.240 75 HG2 GLU 14 HG2 GLU 14 11.017 -1.766 4.761 76 HG3 GLU 14 HG3 GLU 14 12.750 -1.999 4.506 77 H GLN 15 H GLN 15 13.375 -0.670 0.392 78 HA GLN 15 HA GLN 15 11.710 1.164 -1.044 79 HB2 GLN 15 HB2 GLN 15 14.478 0.448 -0.867 80 HB3 GLN 15 HB3 GLN 15 14.043 0.291 -2.568 81 HG2 GLN 15 HG2 GLN 15 14.801 2.592 -1.940 82 HG3 GLN 15 HG3 GLN 15 13.136 2.553 -2.579 83 HE21 GLN 15 HE22 GLN 15 14.367 1.572 0.648 84 HE22 GLN 15 HE21 GLN 15 13.312 2.615 1.564 85 H GLU 16 H GLU 16 12.536 -2.205 -1.436 86 HA GLU 16 HA GLU 16 11.737 -2.361 -4.207 87 HB2 GLU 16 HB2 GLU 16 12.066 -4.425 -1.995 88 HB3 GLU 16 HB3 GLU 16 11.520 -4.888 -3.613 89 HG2 GLU 16 HG2 GLU 16 14.089 -3.347 -3.070 90 HG3 GLU 16 HG3 GLU 16 13.992 -5.106 -3.222 91 H ALA 17 H ALA 17 10.016 -2.470 -1.169 92 HA ALA 17 HA ALA 17 7.487 -3.208 -2.541 93 HB1 ALA 17 HB1 ALA 17 8.054 -4.321 -0.420 94 HB2 ALA 17 HB2 ALA 17 8.137 -2.742 0.391 95 HB3 ALA 17 HB3 ALA 17 6.584 -3.342 -0.258 96 H ILE 18 H ILE 18 9.150 -0.386 -1.229 97 HA ILE 18 HA ILE 18 6.717 1.218 -1.025 98 HB ILE 18 HB ILE 18 9.676 1.722 -0.698 99 HG12 ILE 18 HG12 ILE 18 7.354 2.051 1.249 100 HG13 ILE 18 HG13 ILE 18 8.215 0.523 1.038 101 HG21 ILE 18 HG21 ILE 18 9.089 4.033 0.039 102 HG22 ILE 18 HG22 ILE 18 8.806 3.775 -1.685 103 HG23 ILE 18 HG23 ILE 18 7.433 3.778 -0.557 104 HD11 ILE 18 HD11 ILE 18 9.441 3.157 1.963 105 HD12 ILE 18 HD12 ILE 18 9.168 1.696 2.936 106 HD13 ILE 18 HD13 ILE 18 10.363 1.675 1.631 107 H GLU 19 H GLU 19 9.303 0.735 -3.483 108 HA GLU 19 HA GLU 19 8.595 3.090 -4.975 109 HB2 GLU 19 HB2 GLU 19 10.063 0.530 -5.683 110 HB3 GLU 19 HB3 GLU 19 9.795 1.839 -6.849 111 HG2 GLU 19 HG2 GLU 19 10.960 3.435 -5.434 112 HG3 GLU 19 HG3 GLU 19 11.158 2.228 -4.155 113 H SER 20 H SER 20 7.320 -0.267 -4.958 114 HA SER 20 HA SER 20 5.703 0.191 -7.336 115 HB2 SER 20 HB2 SER 20 5.821 -1.997 -5.219 116 HB3 SER 20 HB3 SER 20 4.815 -2.058 -6.679 117 HG SER 20 HG SER 20 6.860 -3.093 -6.948 118 H PHE 21 H PHE 21 5.376 0.699 -3.880 119 HA PHE 21 HA PHE 21 2.473 0.705 -3.827 120 HB2 PHE 21 HB2 PHE 21 4.088 0.337 -1.908 121 HB3 PHE 21 HB3 PHE 21 4.512 2.009 -1.985 122 HD1 PHE 21 HD2 PHE 21 2.335 3.691 -1.895 123 HD2 PHE 21 HD1 PHE 21 2.475 -0.316 -0.317 124 HE1 PHE 21 HE2 PHE 21 0.453 4.213 -0.386 125 HE2 PHE 21 HE1 PHE 21 0.598 0.223 1.196 126 HZ PHE 21 HZ PHE 21 -0.425 2.478 1.158 127 H THR 22 H THR 22 5.062 3.129 -3.985 128 HA THR 22 HA THR 22 3.276 5.407 -4.274 129 HB THR 22 HB THR 22 6.114 5.435 -5.224 130 HG1 THR 22 HG1 THR 22 6.279 4.282 -3.295 131 HG21 THR 22 HG21 THR 22 6.109 7.621 -4.007 132 HG22 THR 22 HG22 THR 22 4.794 7.543 -5.202 133 HG23 THR 22 HG23 THR 22 4.450 7.303 -3.470 134 H SER 23 H SER 23 4.168 2.909 -6.415 135 HA SER 23 HA SER 23 4.040 4.615 -8.801 136 HB2 SER 23 HB2 SER 23 4.247 1.635 -8.358 137 HB3 SER 23 HB3 SER 23 4.122 2.349 -9.971 138 HG SER 23 HG SER 23 6.191 2.733 -8.084 139 H LEU 24 H LEU 24 1.915 2.910 -6.690 140 HA LEU 24 HA LEU 24 -0.257 2.844 -8.737 141 HB2 LEU 24 HB2 LEU 24 0.289 1.166 -6.262 142 HB3 LEU 24 HB3 LEU 24 -1.223 1.119 -7.186 143 HG LEU 24 HG LEU 24 1.543 0.508 -8.349 144 HD11 LEU 24 HD11 LEU 24 -0.715 -1.348 -7.497 145 HD12 LEU 24 HD12 LEU 24 0.769 -1.839 -8.345 146 HD13 LEU 24 HD13 LEU 24 0.870 -1.181 -6.698 147 HD21 LEU 24 HD21 LEU 24 -0.045 1.299 -10.054 148 HD22 LEU 24 HD22 LEU 24 0.229 -0.445 -10.225 149 HD23 LEU 24 HD23 LEU 24 -1.269 0.151 -9.464 150 H THR 25 H THR 25 0.852 4.207 -5.764 151 HA THR 25 HA THR 25 -1.707 5.690 -5.613 152 HB THR 25 HB THR 25 -1.492 5.862 -3.198 153 HG1 THR 25 HG1 THR 25 0.756 4.178 -3.520 154 HG21 THR 25 HG21 THR 25 -1.221 2.953 -4.056 155 HG22 THR 25 HG22 THR 25 -1.923 3.543 -2.532 156 HG23 THR 25 HG23 THR 25 -2.723 3.907 -4.077 157 H LYS 26 H LYS 26 -1.332 7.945 -4.718 158 HA LYS 26 HA LYS 26 1.348 8.860 -5.638 159 HB2 LYS 26 HB2 LYS 26 -1.306 10.326 -5.744 160 HB3 LYS 26 HB3 LYS 26 0.251 10.969 -6.292 161 HG2 LYS 26 HG2 LYS 26 -1.197 8.533 -7.410 162 HG3 LYS 26 HG3 LYS 26 -1.046 10.108 -8.190 163 HD2 LYS 26 HD2 LYS 26 1.245 8.184 -7.562 164 HD3 LYS 26 HD3 LYS 26 0.554 8.473 -9.148 165 HE2 LYS 26 HE2 LYS 26 1.953 10.568 -7.432 166 HE3 LYS 26 HE3 LYS 26 2.668 9.720 -8.810 167 HZ1 LYS 26 HZ1 LYS 26 0.331 11.502 -8.944 168 HZ2 LYS 26 HZ2 LYS 26 1.852 11.862 -9.446 169 HZ3 LYS 26 HZ3 LYS 26 0.994 10.694 -10.217 170 H CYS 27 H CYS 27 0.551 7.987 -2.895 171 HA CYS 27 HA CYS 27 0.780 10.392 -1.276 172 HB2 CYS 27 HB2 CYS 27 0.985 8.817 0.578 173 HB3 CYS 27 HB3 CYS 27 -0.353 8.326 -0.483 174 HG CYS 27 HG CYS 27 0.958 6.532 -1.822 175 H ASP 28 H ASP 28 2.719 10.206 0.469 176 HA ASP 28 HA ASP 28 5.159 10.446 -1.119 177 HB2 ASP 28 HB2 ASP 28 4.446 12.032 0.673 178 HB3 ASP 28 HB3 ASP 28 4.717 10.753 1.870 179 HA PRO 29 HA PRO 29 6.635 6.358 -0.587 180 HB2 PRO 29 HB2 PRO 29 9.272 7.677 0.093 181 HB3 PRO 29 HB3 PRO 29 8.972 6.306 -1.009 182 HG2 PRO 29 HG2 PRO 29 9.343 8.781 -2.041 183 HG3 PRO 29 HG3 PRO 29 7.900 7.859 -2.616 184 HD2 PRO 29 HD2 PRO 29 8.044 9.907 -0.373 185 HD3 PRO 29 HD3 PRO 29 6.918 9.901 -1.753 186 H LYS 30 H LYS 30 7.350 8.761 1.882 187 HA LYS 30 HA LYS 30 8.310 6.839 3.805 188 HB2 LYS 30 HB2 LYS 30 7.676 9.783 3.735 189 HB3 LYS 30 HB3 LYS 30 7.882 8.997 5.323 190 HG2 LYS 30 HG2 LYS 30 9.951 9.977 4.654 191 HG3 LYS 30 HG3 LYS 30 10.090 8.215 4.734 192 HD2 LYS 30 HD2 LYS 30 9.991 8.054 2.289 193 HD3 LYS 30 HD3 LYS 30 9.699 9.815 2.164 194 HE2 LYS 30 HE2 LYS 30 11.810 10.235 3.368 195 HE3 LYS 30 HE3 LYS 30 12.101 8.491 3.477 196 HZ1 LYS 30 HZ1 LYS 30 11.916 10.043 0.972 197 HZ2 LYS 30 HZ2 LYS 30 13.304 9.477 1.639 198 HZ3 LYS 30 HZ3 LYS 30 12.182 8.422 1.067 199 H VAL 31 H VAL 31 5.191 7.886 2.737 200 HA VAL 31 HA VAL 31 3.817 6.997 5.197 201 HB VAL 31 HB VAL 31 2.785 7.933 2.485 202 HG11 VAL 31 HG11 VAL 31 1.138 6.466 3.576 203 HG12 VAL 31 HG12 VAL 31 1.313 7.389 5.090 204 HG13 VAL 31 HG13 VAL 31 0.609 8.156 3.648 205 HG21 VAL 31 HG21 VAL 31 2.189 9.985 3.712 206 HG22 VAL 31 HG22 VAL 31 2.937 9.329 5.188 207 HG23 VAL 31 HG23 VAL 31 3.940 9.703 3.767 208 H SER 32 H SER 32 4.740 5.811 1.983 209 HA SER 32 HA SER 32 3.030 3.537 1.899 210 HB2 SER 32 HB2 SER 32 5.852 3.841 0.805 211 HB3 SER 32 HB3 SER 32 4.603 2.722 0.220 212 HG SER 32 HG SER 32 4.766 4.656 -1.039 213 H ARG 33 H ARG 33 5.966 4.258 3.672 214 HA ARG 33 HA ARG 33 6.843 1.583 4.215 215 HB2 ARG 33 HB2 ARG 33 8.342 3.474 4.383 216 HB3 ARG 33 HB3 ARG 33 7.257 4.312 5.496 217 HG2 ARG 33 HG2 ARG 33 7.698 2.672 7.256 218 HG3 ARG 33 HG3 ARG 33 8.704 1.714 6.151 219 HD2 ARG 33 HD2 ARG 33 10.102 3.112 7.600 220 HD3 ARG 33 HD3 ARG 33 10.251 3.635 5.911 221 HE ARG 33 HE ARG 33 8.186 5.121 7.263 222 HH11 ARG 33 HH11 ARG 33 11.695 4.830 6.995 223 HH12 ARG 33 HH12 ARG 33 11.988 6.499 7.429 224 HH21 ARG 33 HH21 ARG 33 8.591 7.305 7.798 225 HH22 ARG 33 HH22 ARG 33 10.231 7.899 7.870 226 H LYS 34 H LYS 34 4.561 3.769 5.903 227 HA LYS 34 HA LYS 34 4.504 2.017 8.221 228 HB2 LYS 34 HB2 LYS 34 3.245 3.631 9.242 229 HB3 LYS 34 HB3 LYS 34 4.124 4.579 8.018 230 HG2 LYS 34 HG2 LYS 34 2.136 4.558 6.564 231 HG3 LYS 34 HG3 LYS 34 1.243 3.623 7.794 232 HD2 LYS 34 HD2 LYS 34 1.587 5.430 9.433 233 HD3 LYS 34 HD3 LYS 34 2.493 6.369 8.222 234 HE2 LYS 34 HE2 LYS 34 0.504 6.471 6.781 235 HE3 LYS 34 HE3 LYS 34 -0.398 5.458 7.920 236 HZ1 LYS 34 HZ1 LYS 34 -0.133 7.200 9.567 237 HZ2 LYS 34 HZ2 LYS 34 0.689 8.139 8.498 238 HZ3 LYS 34 HZ3 LYS 34 -0.891 7.778 8.230 239 H TYR 35 H TYR 35 2.553 2.493 5.310 240 HA TYR 35 HA TYR 35 0.526 0.649 6.277 241 HB2 TYR 35 HB2 TYR 35 1.017 2.072 3.637 242 HB3 TYR 35 HB3 TYR 35 -0.205 0.808 3.768 243 HD1 TYR 35 HD1 TYR 35 -2.228 1.078 5.067 244 HD2 TYR 35 HD2 TYR 35 0.635 4.262 4.673 245 HE1 TYR 35 HE1 TYR 35 -3.910 2.690 5.933 246 HE2 TYR 35 HE2 TYR 35 -1.048 5.882 5.523 247 HH TYR 35 HH TYR 35 -4.326 4.870 6.537 248 H LEU 36 H LEU 36 3.638 0.089 5.420 249 HA LEU 36 HA LEU 36 2.933 -2.637 4.397 250 HB2 LEU 36 HB2 LEU 36 5.422 -0.899 4.140 251 HB3 LEU 36 HB3 LEU 36 5.449 -2.646 3.839 252 HG LEU 36 HG LEU 36 3.502 -0.842 2.385 253 HD11 LEU 36 HD11 LEU 36 6.295 -1.703 1.508 254 HD12 LEU 36 HD12 LEU 36 5.118 -0.809 0.519 255 HD13 LEU 36 HD13 LEU 36 5.829 -0.044 1.954 256 HD21 LEU 36 HD21 LEU 36 4.771 -3.520 1.667 257 HD22 LEU 36 HD22 LEU 36 3.175 -3.351 2.427 258 HD23 LEU 36 HD23 LEU 36 3.467 -2.694 0.795 259 H GLN 37 H GLN 37 3.887 -0.773 7.063 260 HA GLN 37 HA GLN 37 5.409 -2.925 8.384 261 HB2 GLN 37 HB2 GLN 37 5.220 -0.027 8.535 262 HB3 GLN 37 HB3 GLN 37 5.025 -0.746 10.153 263 HG2 GLN 37 HG2 GLN 37 7.125 -1.846 10.023 264 HG3 GLN 37 HG3 GLN 37 7.150 -1.750 8.267 265 HE21 GLN 37 HE22 GLN 37 9.389 -1.008 8.777 266 HE22 GLN 37 HE21 GLN 37 9.589 0.733 8.816 267 H ARG 38 H ARG 38 2.256 -2.305 7.820 268 HA ARG 38 HA ARG 38 1.392 -3.598 10.349 269 HB2 ARG 38 HB2 ARG 38 -0.569 -2.180 10.411 270 HB3 ARG 38 HB3 ARG 38 0.890 -1.181 10.359 271 HG2 ARG 38 HG2 ARG 38 0.433 -1.030 7.806 272 HG3 ARG 38 HG3 ARG 38 -1.164 -1.714 8.207 273 HD2 ARG 38 HD2 ARG 38 0.068 0.882 9.199 274 HD3 ARG 38 HD3 ARG 38 -1.380 0.704 8.199 275 HE ARG 38 HE ARG 38 -1.154 0.430 11.100 276 HH11 ARG 38 HH11 ARG 38 -3.137 -0.399 8.277 277 HH12 ARG 38 HH12 ARG 38 -4.577 -0.639 9.228 278 HH21 ARG 38 HH21 ARG 38 -3.065 0.127 12.298 279 HH22 ARG 38 HH22 ARG 38 -4.541 -0.325 11.485 280 H ASN 39 H ASN 39 2.003 -4.250 7.304 281 HA ASN 39 HA ASN 39 -0.257 -6.106 7.004 282 HB2 ASN 39 HB2 ASN 39 0.692 -4.207 4.816 283 HB3 ASN 39 HB3 ASN 39 -0.557 -5.436 4.648 284 HD21 ASN 39 HD22 ASN 39 0.133 -2.213 5.442 285 HD22 ASN 39 HD21 ASN 39 -1.356 -1.748 6.224 286 H HIS 40 H HIS 40 2.614 -6.365 7.737 287 HA HIS 40 HA HIS 40 4.279 -7.827 7.371 288 HB2 HIS 40 HB2 HIS 40 2.432 -9.373 5.551 289 HB3 HIS 40 HB3 HIS 40 3.688 -9.997 6.626 290 HD2 HIS 40 HD2 HIS 40 2.438 -8.044 9.150 291 HE1 HIS 40 HE1 HIS 40 -0.781 -10.806 8.861 292 HE2 HIS 40 HE2 HIS 40 0.327 -9.051 10.334 293 H TRP 41 H TRP 41 4.062 -5.565 5.519 294 HA TRP 41 HA TRP 41 4.995 -4.743 3.675 295 HB2 TRP 41 HB2 TRP 41 7.041 -6.862 4.361 296 HB3 TRP 41 HB3 TRP 41 7.269 -5.674 3.095 297 HD1 TRP 41 HD1 TRP 41 6.986 -5.852 6.894 298 HE1 TRP 41 HE1 TRP 41 7.839 -3.642 7.890 299 HE3 TRP 41 HE3 TRP 41 7.795 -3.391 2.594 300 HZ2 TRP 41 HZ2 TRP 41 8.455 -0.940 6.871 301 HZ3 TRP 41 HZ3 TRP 41 8.493 -0.973 2.576 302 HH2 TRP 41 HH2 TRP 41 8.767 0.246 4.717 303 H ASN 42 H ASN 42 2.951 -6.918 3.207 304 HA ASN 42 HA ASN 42 3.740 -7.701 0.463 305 HB2 ASN 42 HB2 ASN 42 1.402 -8.313 2.307 306 HB3 ASN 42 HB3 ASN 42 1.282 -8.540 0.562 307 HD21 ASN 42 HD22 ASN 42 0.873 -10.800 1.316 308 HD22 ASN 42 HD21 ASN 42 2.276 -11.844 1.409 309 H ILE 43 H ILE 43 3.274 -6.393 -1.255 310 HA ILE 43 HA ILE 43 1.718 -3.990 -0.830 311 HB ILE 43 HB ILE 43 3.198 -5.268 -3.117 312 HG12 ILE 43 HG12 ILE 43 4.210 -3.749 -1.338 313 HG13 ILE 43 HG13 ILE 43 4.455 -3.171 -3.005 314 HG21 ILE 43 HG21 ILE 43 1.225 -2.967 -3.438 315 HG22 ILE 43 HG22 ILE 43 2.481 -3.398 -4.617 316 HG23 ILE 43 HG23 ILE 43 1.176 -4.544 -4.255 317 HD11 ILE 43 HD11 ILE 43 2.183 -2.180 -1.271 318 HD12 ILE 43 HD12 ILE 43 3.816 -1.487 -1.282 319 HD13 ILE 43 HD13 ILE 43 2.836 -1.491 -2.780 320 H ASN 44 H ASN 44 0.856 -7.252 -1.470 321 HA ASN 44 HA ASN 44 -1.632 -6.450 -2.815 322 HB2 ASN 44 HB2 ASN 44 -0.541 -9.163 -1.937 323 HB3 ASN 44 HB3 ASN 44 -2.032 -8.930 -2.858 324 HD21 ASN 44 HD22 ASN 44 0.441 -10.397 -3.600 325 HD22 ASN 44 HD21 ASN 44 0.976 -9.673 -5.104 326 H TYR 45 H TYR 45 -0.562 -6.326 0.259 327 HA TYR 45 HA TYR 45 -3.280 -6.718 1.417 328 HB2 TYR 45 HB2 TYR 45 -0.542 -7.591 2.360 329 HB3 TYR 45 HB3 TYR 45 -1.840 -7.346 3.509 330 HD1 TYR 45 HD1 TYR 45 -3.823 -8.757 3.537 331 HD2 TYR 45 HD2 TYR 45 -0.648 -9.468 0.731 332 HE1 TYR 45 HE1 TYR 45 -4.724 -11.032 3.105 333 HE2 TYR 45 HE2 TYR 45 -1.527 -11.745 0.297 334 HH TYR 45 HH TYR 45 -4.466 -12.987 1.932 335 H ALA 46 H ALA 46 -0.827 -4.588 0.605 336 HA ALA 46 HA ALA 46 -1.158 -2.864 3.003 337 HB1 ALA 46 HB1 ALA 46 0.856 -2.974 0.735 338 HB2 ALA 46 HB2 ALA 46 0.889 -1.767 2.040 339 HB3 ALA 46 HB3 ALA 46 1.109 -3.495 2.422 340 H LEU 47 H LEU 47 -1.681 -3.019 -0.529 341 HA LEU 47 HA LEU 47 -2.235 -0.190 -0.784 342 HB2 LEU 47 HB2 LEU 47 -2.805 -2.650 -2.486 343 HB3 LEU 47 HB3 LEU 47 -3.275 -1.014 -2.980 344 HG LEU 47 HG LEU 47 -0.433 -1.864 -2.352 345 HD11 LEU 47 HD11 LEU 47 -1.853 -1.329 -5.002 346 HD12 LEU 47 HD12 LEU 47 -0.125 -1.693 -4.802 347 HD13 LEU 47 HD13 LEU 47 -1.348 -2.924 -4.396 348 HD21 LEU 47 HD21 LEU 47 -1.598 0.699 -3.529 349 HD22 LEU 47 HD22 LEU 47 -0.769 0.542 -1.959 350 HD23 LEU 47 HD23 LEU 47 0.136 0.303 -3.462 351 H ASN 48 H ASN 48 -4.182 -3.115 -0.141 352 HA ASN 48 HA ASN 48 -6.733 -1.841 -0.360 353 HB2 ASN 48 HB2 ASN 48 -6.108 -4.127 1.525 354 HB3 ASN 48 HB3 ASN 48 -7.601 -3.823 0.618 355 HD21 ASN 48 HD22 ASN 48 -4.285 -4.946 0.548 356 HD22 ASN 48 HD21 ASN 48 -4.314 -5.671 -1.046 357 H ASP 49 H ASP 49 -4.318 -2.085 2.193 358 HA ASP 49 HA ASP 49 -5.973 -1.102 4.340 359 HB2 ASP 49 HB2 ASP 49 -3.661 -2.321 4.382 360 HB3 ASP 49 HB3 ASP 49 -2.966 -0.733 4.066 361 H TYR 50 H TYR 50 -3.956 0.463 1.861 362 HA TYR 50 HA TYR 50 -4.399 3.141 2.893 363 HB2 TYR 50 HB2 TYR 50 -2.472 2.421 1.506 364 HB3 TYR 50 HB3 TYR 50 -3.542 2.136 0.147 365 HD1 TYR 50 HD1 TYR 50 -2.069 4.756 2.321 366 HD2 TYR 50 HD2 TYR 50 -4.399 3.935 -1.199 367 HE1 TYR 50 HE1 TYR 50 -1.837 7.124 1.622 368 HE2 TYR 50 HE2 TYR 50 -4.188 6.304 -1.900 369 HH TYR 50 HH TYR 50 -2.414 8.721 0.056 370 H TYR 51 H TYR 51 -6.022 0.913 0.698 371 HA TYR 51 HA TYR 51 -7.881 2.931 -0.280 372 HB2 TYR 51 HB2 TYR 51 -7.930 -0.088 -0.566 373 HB3 TYR 51 HB3 TYR 51 -8.951 1.053 -1.440 374 HD1 TYR 51 HD2 TYR 51 -6.807 3.193 -1.927 375 HD2 TYR 51 HD1 TYR 51 -6.790 -1.085 -2.437 376 HE1 TYR 51 HE2 TYR 51 -5.087 3.424 -3.672 377 HE2 TYR 51 HE1 TYR 51 -5.047 -0.862 -4.187 378 HH TYR 51 HH TYR 51 -3.741 0.566 -5.399 379 H ASP 52 H ASP 52 -7.600 1.577 2.708 380 HA ASP 52 HA ASP 52 -10.548 1.447 3.135 381 HB2 ASP 52 HB2 ASP 52 -8.162 0.134 4.456 382 HB3 ASP 52 HB3 ASP 52 -9.689 0.305 5.304 383 H LYS 53 H LYS 53 -7.598 3.214 3.996 384 HA LYS 53 HA LYS 53 -9.373 4.916 5.671 385 HB2 LYS 53 HB2 LYS 53 -7.028 5.358 6.915 386 HB3 LYS 53 HB3 LYS 53 -8.264 4.258 7.489 387 HG2 LYS 53 HG2 LYS 53 -5.981 3.373 5.704 388 HG3 LYS 53 HG3 LYS 53 -5.815 3.516 7.462 389 HD2 LYS 53 HD2 LYS 53 -7.714 1.618 6.029 390 HD3 LYS 53 HD3 LYS 53 -6.211 1.218 6.842 391 HE2 LYS 53 HE2 LYS 53 -7.737 0.660 8.467 392 HE3 LYS 53 HE3 LYS 53 -7.306 2.303 8.961 393 HZ1 LYS 53 HZ1 LYS 53 -9.314 3.061 7.840 394 HZ2 LYS 53 HZ2 LYS 53 -9.687 1.527 7.396 395 HZ3 LYS 53 HZ3 LYS 53 -9.672 1.940 8.986 396 H GLU 54 H GLU 54 -7.508 4.924 2.900 397 HA GLU 54 HA GLU 54 -7.253 7.880 3.147 398 HB2 GLU 54 HB2 GLU 54 -5.208 5.994 1.926 399 HB3 GLU 54 HB3 GLU 54 -5.139 7.753 1.840 400 HG2 GLU 54 HG2 GLU 54 -5.089 6.138 4.418 401 HG3 GLU 54 HG3 GLU 54 -3.671 6.830 3.614 402 H ILE 55 H ILE 55 -9.044 5.644 1.723 403 HA ILE 55 HA ILE 55 -8.566 6.107 -1.048 404 HB ILE 55 HB ILE 55 -9.649 4.107 -0.159 405 HG12 ILE 55 HG12 ILE 55 -11.498 5.653 -2.003 406 HG13 ILE 55 HG13 ILE 55 -9.990 4.863 -2.507 407 HG21 ILE 55 HG21 ILE 55 -11.989 4.167 0.636 408 HG22 ILE 55 HG22 ILE 55 -10.949 5.169 1.662 409 HG23 ILE 55 HG23 ILE 55 -12.007 5.936 0.461 410 HD11 ILE 55 HD11 ILE 55 -11.876 3.415 -3.012 411 HD12 ILE 55 HD12 ILE 55 -10.893 2.674 -1.730 412 HD13 ILE 55 HD13 ILE 55 -12.433 3.469 -1.327 413 H GLY 56 H GLY 56 -9.819 7.345 -2.562 414 HA2 GLY 56 HA2 GLY 56 -10.517 9.960 -1.512 415 HA3 GLY 56 HA3 GLY 56 -10.455 9.462 -3.212 416 H THR 57 H THR 57 -12.368 7.119 -1.969 417 HA THR 57 HA THR 57 -14.862 8.653 -1.769 418 HB THR 57 HB THR 57 -14.475 8.509 -4.202 419 HG1 THR 57 HG1 THR 57 -16.495 7.564 -4.628 420 HG21 THR 57 HG21 THR 57 -13.177 6.395 -4.267 421 HG22 THR 57 HG22 THR 57 -14.634 5.492 -3.780 422 HG23 THR 57 HG23 THR 57 -14.583 6.330 -5.344 423 H PHE 58 H PHE 58 -16.738 7.224 -1.349 424 HA PHE 58 HA PHE 58 -15.921 4.668 -0.058 425 HB2 PHE 58 HB2 PHE 58 -17.906 6.749 0.896 426 HB3 PHE 58 HB3 PHE 58 -17.595 5.181 1.663 427 HD1 PHE 58 HD2 PHE 58 -15.383 4.691 2.661 428 HD2 PHE 58 HD1 PHE 58 -16.364 8.576 1.132 429 HE1 PHE 58 HE2 PHE 58 -13.434 5.641 3.855 430 HE2 PHE 58 HE1 PHE 58 -14.432 9.553 2.363 431 HZ PHE 58 HZ PHE 58 -12.961 8.080 3.722 432 H THR 59 H THR 59 -17.425 5.833 -2.647 433 HA THR 59 HA THR 59 -19.341 3.583 -2.773 434 HB THR 59 HB THR 59 -20.623 5.528 -1.998 435 HG1 THR 59 HG1 THR 59 -22.165 5.396 -3.653 436 HG21 THR 59 HG21 THR 59 -20.984 7.450 -3.492 437 HG22 THR 59 HG22 THR 59 -19.275 7.337 -3.029 438 HG23 THR 59 HG23 THR 59 -19.793 6.804 -4.645 439 H ASP 60 H ASP 60 -20.197 3.316 -5.039 440 HA ASP 60 HA ASP 60 -18.245 4.207 -7.083 441 HB2 ASP 60 HB2 ASP 60 -17.628 1.937 -6.210 442 HB3 ASP 60 HB3 ASP 60 -19.214 1.349 -6.713 443 H GLU 61 H GLU 61 -21.266 4.536 -6.155 444 HA GLU 61 HA GLU 61 -22.238 4.718 -8.922 445 HB2 GLU 61 HB2 GLU 61 -24.349 3.574 -8.388 446 HB3 GLU 61 HB3 GLU 61 -22.967 2.483 -8.185 447 HG2 GLU 61 HG2 GLU 61 -23.018 2.902 -5.742 448 HG3 GLU 61 HG3 GLU 61 -24.417 3.979 -5.952 449 H VAL 62 H VAL 62 -24.303 5.948 -9.054 450 HA VAL 62 HA VAL 62 -24.766 7.779 -6.767 451 HB VAL 62 HB VAL 62 -24.274 8.665 -9.640 452 HG11 VAL 62 HG11 VAL 62 -25.998 10.017 -8.506 453 HG12 VAL 62 HG12 VAL 62 -24.924 10.228 -7.103 454 HG13 VAL 62 HG13 VAL 62 -24.496 10.944 -8.673 455 HG21 VAL 62 HG21 VAL 62 -22.341 9.879 -8.646 456 HG22 VAL 62 HG22 VAL 62 -22.665 9.102 -7.082 457 HG23 VAL 62 HG23 VAL 62 -22.157 8.126 -8.486 Start of MODEL 15 1 HA ILE 6 HA ILE 6 15.393 -0.729 -7.918 2 HB ILE 6 HB ILE 6 13.786 -3.069 -6.912 3 HG12 ILE 6 HG12 ILE 6 12.696 -0.534 -8.210 4 HG13 ILE 6 HG13 ILE 6 12.538 -2.188 -8.836 5 HG21 ILE 6 HG21 ILE 6 14.006 -0.128 -6.096 6 HG22 ILE 6 HG22 ILE 6 13.113 -1.384 -5.211 7 HG23 ILE 6 HG23 ILE 6 14.868 -1.467 -5.300 8 HD11 ILE 6 HD11 ILE 6 10.472 -1.581 -7.754 9 HD12 ILE 6 HD12 ILE 6 11.275 -2.827 -6.778 10 HD13 ILE 6 HD13 ILE 6 11.312 -1.121 -6.265 11 H LYS 7 H LYS 7 17.091 -2.729 -9.323 12 HA LYS 7 HA LYS 7 18.267 -4.192 -7.034 13 HB2 LYS 7 HB2 LYS 7 18.734 -4.524 -10.020 14 HB3 LYS 7 HB3 LYS 7 19.377 -5.557 -8.731 15 HG2 LYS 7 HG2 LYS 7 16.422 -5.165 -9.402 16 HG3 LYS 7 HG3 LYS 7 17.422 -6.575 -9.813 17 HD2 LYS 7 HD2 LYS 7 17.803 -6.956 -7.361 18 HD3 LYS 7 HD3 LYS 7 16.678 -5.623 -7.016 19 HE2 LYS 7 HE2 LYS 7 14.898 -6.803 -8.280 20 HE3 LYS 7 HE3 LYS 7 16.013 -8.141 -8.590 21 HZ1 LYS 7 HZ1 LYS 7 15.096 -7.238 -5.941 22 HZ2 LYS 7 HZ2 LYS 7 14.614 -8.604 -6.712 23 HZ3 LYS 7 HZ3 LYS 7 16.168 -8.459 -6.197 24 H ARG 8 H ARG 8 18.575 -1.229 -7.639 25 HA ARG 8 HA ARG 8 21.260 -0.816 -8.581 26 HB2 ARG 8 HB2 ARG 8 19.596 0.985 -6.772 27 HB3 ARG 8 HB3 ARG 8 21.019 1.433 -7.703 28 HG2 ARG 8 HG2 ARG 8 19.458 2.205 -9.154 29 HG3 ARG 8 HG3 ARG 8 19.536 0.545 -9.755 30 HD2 ARG 8 HD2 ARG 8 17.205 1.313 -9.482 31 HD3 ARG 8 HD3 ARG 8 17.540 -0.024 -8.371 32 HE ARG 8 HE ARG 8 18.125 2.248 -6.900 33 HH11 ARG 8 HH11 ARG 8 15.230 1.196 -8.674 34 HH12 ARG 8 HH12 ARG 8 14.147 1.961 -7.534 35 HH21 ARG 8 HH21 ARG 8 16.669 3.258 -5.491 36 HH22 ARG 8 HH22 ARG 8 14.949 3.132 -5.780 37 H LYS 9 H LYS 9 22.995 0.180 -7.228 38 HA LYS 9 HA LYS 9 23.488 -1.501 -4.894 39 HB2 LYS 9 HB2 LYS 9 25.188 0.687 -6.158 40 HB3 LYS 9 HB3 LYS 9 25.726 -0.476 -4.936 41 HG2 LYS 9 HG2 LYS 9 24.796 -1.150 -7.763 42 HG3 LYS 9 HG3 LYS 9 26.468 -1.133 -7.188 43 HD2 LYS 9 HD2 LYS 9 25.912 -2.924 -5.546 44 HD3 LYS 9 HD3 LYS 9 24.254 -2.983 -6.197 45 HE2 LYS 9 HE2 LYS 9 25.164 -3.516 -8.441 46 HE3 LYS 9 HE3 LYS 9 26.807 -3.473 -7.782 47 HZ1 LYS 9 HZ1 LYS 9 26.212 -5.298 -6.343 48 HZ2 LYS 9 HZ2 LYS 9 24.678 -5.329 -6.943 49 HZ3 LYS 9 HZ3 LYS 9 25.952 -5.709 -7.909 50 H ASP 10 H ASP 10 21.433 0.810 -4.980 51 HA ASP 10 HA ASP 10 22.219 1.835 -2.322 52 HB2 ASP 10 HB2 ASP 10 22.684 3.506 -4.163 53 HB3 ASP 10 HB3 ASP 10 20.959 3.521 -4.529 54 H ALA 11 H ALA 11 20.328 -0.213 -3.628 55 HA ALA 11 HA ALA 11 17.674 0.809 -2.880 56 HB1 ALA 11 HB1 ALA 11 18.582 -1.840 -4.058 57 HB2 ALA 11 HB2 ALA 11 16.894 -1.300 -3.875 58 HB3 ALA 11 HB3 ALA 11 17.999 -0.429 -4.970 59 H SER 12 H SER 12 16.223 -0.818 -1.692 60 HA SER 12 HA SER 12 17.604 -2.285 0.463 61 HB2 SER 12 HB2 SER 12 16.965 -0.922 2.173 62 HB3 SER 12 HB3 SER 12 17.011 0.312 0.907 63 HG SER 12 HG SER 12 15.058 0.234 2.183 64 HA PRO 13 HA PRO 13 14.160 -4.982 0.049 65 HB2 PRO 13 HB2 PRO 13 13.412 -5.686 2.583 66 HB3 PRO 13 HB3 PRO 13 15.060 -6.082 1.974 67 HG2 PRO 13 HG2 PRO 13 14.238 -3.615 3.569 68 HG3 PRO 13 HG3 PRO 13 15.513 -4.822 4.004 69 HD2 PRO 13 HD2 PRO 13 16.185 -2.577 2.697 70 HD3 PRO 13 HD3 PRO 13 16.873 -4.140 2.140 71 H GLU 14 H GLU 14 13.735 -2.252 2.214 72 HA GLU 14 HA GLU 14 10.825 -2.280 2.159 73 HB2 GLU 14 HB2 GLU 14 12.910 -0.203 2.961 74 HB3 GLU 14 HB3 GLU 14 11.159 -0.001 3.158 75 HG2 GLU 14 HG2 GLU 14 11.041 -1.936 4.633 76 HG3 GLU 14 HG3 GLU 14 12.771 -2.248 4.399 77 H GLN 15 H GLN 15 13.495 -0.883 0.274 78 HA GLN 15 HA GLN 15 11.890 1.023 -1.161 79 HB2 GLN 15 HB2 GLN 15 14.634 0.285 -0.911 80 HB3 GLN 15 HB3 GLN 15 14.256 0.094 -2.624 81 HG2 GLN 15 HG2 GLN 15 15.009 2.402 -2.033 82 HG3 GLN 15 HG3 GLN 15 13.357 2.352 -2.710 83 HE21 GLN 15 HE22 GLN 15 14.458 1.425 0.561 84 HE22 GLN 15 HE21 GLN 15 13.389 2.508 1.425 85 H GLU 16 H GLU 16 12.527 -2.349 -1.486 86 HA GLU 16 HA GLU 16 11.650 -2.466 -4.264 87 HB2 GLU 16 HB2 GLU 16 12.138 -4.643 -2.180 88 HB3 GLU 16 HB3 GLU 16 11.644 -4.978 -3.852 89 HG2 GLU 16 HG2 GLU 16 13.594 -3.720 -4.683 90 HG3 GLU 16 HG3 GLU 16 14.158 -3.479 -3.025 91 H ALA 17 H ALA 17 10.065 -2.287 -1.266 92 HA ALA 17 HA ALA 17 7.497 -3.159 -2.539 93 HB1 ALA 17 HB1 ALA 17 8.227 -2.800 0.392 94 HB2 ALA 17 HB2 ALA 17 6.658 -3.358 -0.237 95 HB3 ALA 17 HB3 ALA 17 8.109 -4.349 -0.478 96 H ILE 18 H ILE 18 9.241 -0.396 -1.206 97 HA ILE 18 HA ILE 18 6.847 1.225 -0.879 98 HB ILE 18 HB ILE 18 9.827 1.673 -0.648 99 HG12 ILE 18 HG12 ILE 18 7.558 2.012 1.367 100 HG13 ILE 18 HG13 ILE 18 8.414 0.486 1.129 101 HG21 ILE 18 HG21 ILE 18 9.349 3.988 0.126 102 HG22 ILE 18 HG22 ILE 18 8.966 3.762 -1.586 103 HG23 ILE 18 HG23 ILE 18 7.658 3.798 -0.385 104 HD11 ILE 18 HD11 ILE 18 9.643 3.116 2.054 105 HD12 ILE 18 HD12 ILE 18 9.420 1.629 3.003 106 HD13 ILE 18 HD13 ILE 18 10.573 1.647 1.661 107 H GLU 19 H GLU 19 9.327 0.759 -3.459 108 HA GLU 19 HA GLU 19 8.479 3.193 -4.787 109 HB2 GLU 19 HB2 GLU 19 10.177 0.845 -5.697 110 HB3 GLU 19 HB3 GLU 19 9.811 2.264 -6.706 111 HG2 GLU 19 HG2 GLU 19 10.709 3.749 -4.927 112 HG3 GLU 19 HG3 GLU 19 11.189 2.327 -3.994 113 H SER 20 H SER 20 7.328 -0.165 -4.812 114 HA SER 20 HA SER 20 5.745 0.237 -7.235 115 HB2 SER 20 HB2 SER 20 5.871 -1.935 -5.099 116 HB3 SER 20 HB3 SER 20 4.899 -2.021 -6.580 117 HG SER 20 HG SER 20 6.952 -3.030 -6.807 118 H PHE 21 H PHE 21 5.398 0.764 -3.788 119 HA PHE 21 HA PHE 21 2.499 0.742 -3.743 120 HB2 PHE 21 HB2 PHE 21 4.134 0.405 -1.819 121 HB3 PHE 21 HB3 PHE 21 4.511 2.089 -1.901 122 HD1 PHE 21 HD1 PHE 21 2.272 3.694 -1.855 123 HD2 PHE 21 HD2 PHE 21 2.590 -0.253 -0.167 124 HE1 PHE 21 HE1 PHE 21 0.361 4.172 -0.359 125 HE2 PHE 21 HE2 PHE 21 0.677 0.236 1.321 126 HZ PHE 21 HZ PHE 21 -0.446 2.442 1.225 127 H THR 22 H THR 22 5.067 3.199 -3.891 128 HA THR 22 HA THR 22 3.269 5.457 -4.193 129 HB THR 22 HB THR 22 6.108 5.517 -5.128 130 HG1 THR 22 HG1 THR 22 6.313 4.323 -3.236 131 HG21 THR 22 HG21 THR 22 4.446 7.329 -3.322 132 HG22 THR 22 HG22 THR 22 6.106 7.665 -3.842 133 HG23 THR 22 HG23 THR 22 4.794 7.616 -5.046 134 H SER 23 H SER 23 4.165 2.969 -6.313 135 HA SER 23 HA SER 23 4.053 4.649 -8.716 136 HB2 SER 23 HB2 SER 23 4.253 1.676 -8.240 137 HB3 SER 23 HB3 SER 23 4.115 2.368 -9.866 138 HG SER 23 HG SER 23 6.208 2.768 -8.015 139 H LEU 24 H LEU 24 1.933 2.944 -6.592 140 HA LEU 24 HA LEU 24 -0.248 2.858 -8.627 141 HB2 LEU 24 HB2 LEU 24 0.314 1.208 -6.137 142 HB3 LEU 24 HB3 LEU 24 -1.207 1.160 -7.040 143 HG LEU 24 HG LEU 24 1.540 0.527 -8.230 144 HD11 LEU 24 HD11 LEU 24 -0.713 -1.322 -7.334 145 HD12 LEU 24 HD12 LEU 24 0.765 -1.827 -8.190 146 HD13 LEU 24 HD13 LEU 24 0.881 -1.148 -6.556 147 HD21 LEU 24 HD21 LEU 24 -0.051 1.296 -9.931 148 HD22 LEU 24 HD22 LEU 24 0.209 -0.449 -10.084 149 HD23 LEU 24 HD23 LEU 24 -1.281 0.160 -9.321 150 H THR 25 H THR 25 0.881 4.291 -5.692 151 HA THR 25 HA THR 25 -1.688 5.751 -5.539 152 HB THR 25 HB THR 25 -1.415 5.983 -3.122 153 HG1 THR 25 HG1 THR 25 0.800 4.252 -3.464 154 HG21 THR 25 HG21 THR 25 -1.880 3.672 -2.430 155 HG22 THR 25 HG22 THR 25 -2.705 4.035 -3.960 156 HG23 THR 25 HG23 THR 25 -1.225 3.057 -3.964 157 H LYS 26 H LYS 26 -1.342 8.022 -4.787 158 HA LYS 26 HA LYS 26 1.315 8.949 -5.758 159 HB2 LYS 26 HB2 LYS 26 -1.364 10.372 -5.887 160 HB3 LYS 26 HB3 LYS 26 0.175 10.995 -6.497 161 HG2 LYS 26 HG2 LYS 26 -1.317 8.524 -7.481 162 HG3 LYS 26 HG3 LYS 26 -1.119 10.051 -8.341 163 HD2 LYS 26 HD2 LYS 26 1.116 8.101 -7.618 164 HD3 LYS 26 HD3 LYS 26 0.417 8.337 -9.223 165 HE2 LYS 26 HE2 LYS 26 1.170 10.702 -9.204 166 HE3 LYS 26 HE3 LYS 26 1.876 10.454 -7.595 167 HZ1 LYS 26 HZ1 LYS 26 3.517 10.236 -9.321 168 HZ2 LYS 26 HZ2 LYS 26 3.322 8.796 -8.554 169 HZ3 LYS 26 HZ3 LYS 26 2.671 9.027 -10.046 170 H CYS 27 H CYS 27 0.578 8.182 -2.984 171 HA CYS 27 HA CYS 27 0.811 10.713 -1.516 172 HB2 CYS 27 HB2 CYS 27 -0.451 8.640 -0.741 173 HB3 CYS 27 HB3 CYS 27 1.133 7.875 -0.473 174 HG CYS 27 HG CYS 27 -0.071 10.712 0.738 175 H ASP 28 H ASP 28 2.664 10.284 0.387 176 HA ASP 28 HA ASP 28 5.169 10.513 -1.081 177 HB2 ASP 28 HB2 ASP 28 4.397 10.727 1.844 178 HB3 ASP 28 HB3 ASP 28 6.030 11.006 1.233 179 HA PRO 29 HA PRO 29 6.613 6.372 -0.553 180 HB2 PRO 29 HB2 PRO 29 9.173 7.703 0.348 181 HB3 PRO 29 HB3 PRO 29 8.977 6.376 -0.822 182 HG2 PRO 29 HG2 PRO 29 9.404 8.908 -1.710 183 HG3 PRO 29 HG3 PRO 29 8.051 7.977 -2.461 184 HD2 PRO 29 HD2 PRO 29 7.914 9.963 -0.158 185 HD3 PRO 29 HD3 PRO 29 6.925 9.944 -1.647 186 H LYS 30 H LYS 30 7.166 8.807 1.925 187 HA LYS 30 HA LYS 30 8.154 7.112 3.961 188 HB2 LYS 30 HB2 LYS 30 6.965 9.880 3.851 189 HB3 LYS 30 HB3 LYS 30 7.638 9.161 5.348 190 HG2 LYS 30 HG2 LYS 30 9.759 8.663 4.040 191 HG3 LYS 30 HG3 LYS 30 9.081 9.629 2.696 192 HD2 LYS 30 HD2 LYS 30 8.826 11.545 4.206 193 HD3 LYS 30 HD3 LYS 30 9.446 10.543 5.549 194 HE2 LYS 30 HE2 LYS 30 11.605 10.286 4.368 195 HE3 LYS 30 HE3 LYS 30 10.995 11.256 3.015 196 HZ1 LYS 30 HZ1 LYS 30 12.326 12.572 4.509 197 HZ2 LYS 30 HZ2 LYS 30 10.776 13.109 4.521 198 HZ3 LYS 30 HZ3 LYS 30 11.344 12.216 5.779 199 H VAL 31 H VAL 31 4.959 7.700 2.729 200 HA VAL 31 HA VAL 31 3.599 6.727 5.176 201 HB VAL 31 HB VAL 31 2.587 7.702 2.479 202 HG11 VAL 31 HG11 VAL 31 1.005 6.096 3.433 203 HG12 VAL 31 HG12 VAL 31 1.082 6.923 5.013 204 HG13 VAL 31 HG13 VAL 31 0.365 7.738 3.600 205 HG21 VAL 31 HG21 VAL 31 2.589 8.952 5.259 206 HG22 VAL 31 HG22 VAL 31 3.589 9.473 3.879 207 HG23 VAL 31 HG23 VAL 31 1.821 9.649 3.815 208 H SER 32 H SER 32 4.741 5.651 1.995 209 HA SER 32 HA SER 32 3.145 3.281 1.818 210 HB2 SER 32 HB2 SER 32 5.960 3.800 0.777 211 HB3 SER 32 HB3 SER 32 4.798 2.594 0.168 212 HG SER 32 HG SER 32 4.856 4.556 -1.070 213 H ARG 33 H ARG 33 6.212 4.104 3.400 214 HA ARG 33 HA ARG 33 7.030 1.491 4.228 215 HB2 ARG 33 HB2 ARG 33 8.518 3.454 4.229 216 HB3 ARG 33 HB3 ARG 33 7.422 4.325 5.302 217 HG2 ARG 33 HG2 ARG 33 7.894 2.658 7.111 218 HG3 ARG 33 HG3 ARG 33 9.056 1.858 6.035 219 HD2 ARG 33 HD2 ARG 33 10.234 3.384 7.520 220 HD3 ARG 33 HD3 ARG 33 10.335 3.968 5.847 221 HE ARG 33 HE ARG 33 8.081 5.156 7.149 222 HH11 ARG 33 HH11 ARG 33 11.612 5.274 7.137 223 HH12 ARG 33 HH12 ARG 33 11.675 6.947 7.650 224 HH21 ARG 33 HH21 ARG 33 8.188 7.325 7.820 225 HH22 ARG 33 HH22 ARG 33 9.739 8.099 8.043 226 H LYS 34 H LYS 34 4.755 3.828 5.513 227 HA LYS 34 HA LYS 34 4.455 2.527 8.104 228 HB2 LYS 34 HB2 LYS 34 4.250 4.941 7.882 229 HB3 LYS 34 HB3 LYS 34 3.084 4.769 6.575 230 HG2 LYS 34 HG2 LYS 34 1.477 3.722 8.214 231 HG3 LYS 34 HG3 LYS 34 2.610 4.190 9.514 232 HD2 LYS 34 HD2 LYS 34 2.502 6.542 8.715 233 HD3 LYS 34 HD3 LYS 34 1.413 6.054 7.404 234 HE2 LYS 34 HE2 LYS 34 0.821 5.950 10.380 235 HE3 LYS 34 HE3 LYS 34 0.144 7.070 9.177 236 HZ1 LYS 34 HZ1 LYS 34 -0.258 4.154 9.218 237 HZ2 LYS 34 HZ2 LYS 34 -1.371 5.280 9.653 238 HZ3 LYS 34 HZ3 LYS 34 -0.875 5.183 8.091 239 H TYR 35 H TYR 35 2.718 2.532 4.976 240 HA TYR 35 HA TYR 35 0.562 0.925 6.148 241 HB2 TYR 35 HB2 TYR 35 1.028 2.279 3.515 242 HB3 TYR 35 HB3 TYR 35 -0.114 0.933 3.600 243 HD1 TYR 35 HD1 TYR 35 0.574 4.345 4.904 244 HD2 TYR 35 HD2 TYR 35 -2.214 1.074 4.687 245 HE1 TYR 35 HE1 TYR 35 -1.204 5.805 5.832 246 HE2 TYR 35 HE2 TYR 35 -3.994 2.526 5.615 247 HH TYR 35 HH TYR 35 -3.407 5.948 6.502 248 H LEU 36 H LEU 36 3.657 0.207 4.991 249 HA LEU 36 HA LEU 36 2.825 -2.553 4.237 250 HB2 LEU 36 HB2 LEU 36 5.406 -0.953 4.116 251 HB3 LEU 36 HB3 LEU 36 5.393 -2.703 3.869 252 HG LEU 36 HG LEU 36 3.607 -0.859 2.241 253 HD11 LEU 36 HD11 LEU 36 6.416 -1.842 1.582 254 HD12 LEU 36 HD12 LEU 36 5.327 -0.960 0.483 255 HD13 LEU 36 HD13 LEU 36 5.966 -0.155 1.930 256 HD21 LEU 36 HD21 LEU 36 3.152 -3.356 2.329 257 HD22 LEU 36 HD22 LEU 36 3.581 -2.765 0.708 258 HD23 LEU 36 HD23 LEU 36 4.787 -3.620 1.692 259 H GLN 37 H GLN 37 3.761 -0.672 6.919 260 HA GLN 37 HA GLN 37 5.153 -2.831 8.306 261 HB2 GLN 37 HB2 GLN 37 5.050 0.047 8.436 262 HB3 GLN 37 HB3 GLN 37 4.692 -0.623 10.053 263 HG2 GLN 37 HG2 GLN 37 6.711 -1.942 10.020 264 HG3 GLN 37 HG3 GLN 37 6.938 -1.629 8.292 265 HE21 GLN 37 HE22 GLN 37 7.395 0.578 7.618 266 HE22 GLN 37 HE21 GLN 37 8.519 1.469 8.613 267 H ARG 38 H ARG 38 1.990 -2.386 7.701 268 HA ARG 38 HA ARG 38 1.183 -3.555 10.333 269 HB2 ARG 38 HB2 ARG 38 -0.883 -2.396 8.518 270 HB3 ARG 38 HB3 ARG 38 -0.819 -2.411 10.274 271 HG2 ARG 38 HG2 ARG 38 0.755 -0.593 8.412 272 HG3 ARG 38 HG3 ARG 38 -0.691 -0.142 9.314 273 HD2 ARG 38 HD2 ARG 38 1.970 -0.940 10.571 274 HD3 ARG 38 HD3 ARG 38 1.316 0.694 10.444 275 HE ARG 38 HE ARG 38 -0.527 0.027 11.927 276 HH11 ARG 38 HH11 ARG 38 2.291 -2.133 11.856 277 HH12 ARG 38 HH12 ARG 38 1.950 -2.796 13.436 278 HH21 ARG 38 HH21 ARG 38 -0.928 -0.865 13.972 279 HH22 ARG 38 HH22 ARG 38 0.132 -2.096 14.616 280 H ASN 39 H ASN 39 2.011 -4.383 7.284 281 HA ASN 39 HA ASN 39 -0.101 -6.442 6.947 282 HB2 ASN 39 HB2 ASN 39 0.807 -4.415 4.866 283 HB3 ASN 39 HB3 ASN 39 -0.386 -5.689 4.611 284 HD21 ASN 39 HD22 ASN 39 0.118 -2.460 5.511 285 HD22 ASN 39 HD21 ASN 39 -1.376 -2.103 6.323 286 H HIS 40 H HIS 40 2.629 -6.729 7.853 287 HA HIS 40 HA HIS 40 4.533 -7.874 7.421 288 HB2 HIS 40 HB2 HIS 40 4.072 -10.127 6.292 289 HB3 HIS 40 HB3 HIS 40 3.226 -9.717 7.782 290 HD2 HIS 40 HD2 HIS 40 0.627 -9.510 7.774 291 HE1 HIS 40 HE1 HIS 40 -0.064 -10.369 3.668 292 HE2 HIS 40 HE2 HIS 40 -1.171 -10.032 5.936 293 H TRP 41 H TRP 41 4.142 -5.707 5.608 294 HA TRP 41 HA TRP 41 4.993 -4.802 3.764 295 HB2 TRP 41 HB2 TRP 41 7.160 -6.814 4.401 296 HB3 TRP 41 HB3 TRP 41 7.309 -5.588 3.152 297 HD1 TRP 41 HD1 TRP 41 6.818 -5.787 6.956 298 HE1 TRP 41 HE1 TRP 41 7.611 -3.586 8.002 299 HE3 TRP 41 HE3 TRP 41 7.930 -3.351 2.705 300 HZ2 TRP 41 HZ2 TRP 41 8.373 -0.909 7.019 301 HZ3 TRP 41 HZ3 TRP 41 8.724 -0.975 2.731 302 HH2 TRP 41 HH2 TRP 41 8.939 0.233 4.872 303 H ASN 42 H ASN 42 3.037 -7.013 3.244 304 HA ASN 42 HA ASN 42 3.827 -7.683 0.469 305 HB2 ASN 42 HB2 ASN 42 1.511 -8.383 2.300 306 HB3 ASN 42 HB3 ASN 42 1.370 -8.538 0.551 307 HD21 ASN 42 HD22 ASN 42 1.008 -10.840 1.127 308 HD22 ASN 42 HD21 ASN 42 2.429 -11.859 1.202 309 H ILE 43 H ILE 43 3.334 -6.349 -1.207 310 HA ILE 43 HA ILE 43 1.805 -3.949 -0.698 311 HB ILE 43 HB ILE 43 3.239 -5.196 -3.029 312 HG12 ILE 43 HG12 ILE 43 4.278 -3.674 -1.274 313 HG13 ILE 43 HG13 ILE 43 4.484 -3.091 -2.943 314 HG21 ILE 43 HG21 ILE 43 1.251 -2.898 -3.333 315 HG22 ILE 43 HG22 ILE 43 2.489 -3.342 -4.529 316 HG23 ILE 43 HG23 ILE 43 1.189 -4.480 -4.139 317 HD11 ILE 43 HD11 ILE 43 2.233 -2.126 -1.165 318 HD12 ILE 43 HD12 ILE 43 3.860 -1.413 -1.208 319 HD13 ILE 43 HD13 ILE 43 2.849 -1.422 -2.683 320 H ASN 44 H ASN 44 0.931 -7.188 -1.441 321 HA ASN 44 HA ASN 44 -1.573 -6.337 -2.715 322 HB2 ASN 44 HB2 ASN 44 -0.515 -9.094 -1.949 323 HB3 ASN 44 HB3 ASN 44 -1.983 -8.805 -2.894 324 HD21 ASN 44 HD22 ASN 44 0.383 -10.328 -3.696 325 HD22 ASN 44 HD21 ASN 44 1.014 -9.537 -5.126 326 H TYR 45 H TYR 45 -0.520 -6.292 0.344 327 HA TYR 45 HA TYR 45 -3.220 -6.811 1.500 328 HB2 TYR 45 HB2 TYR 45 -0.462 -7.687 2.365 329 HB3 TYR 45 HB3 TYR 45 -1.727 -7.477 3.556 330 HD1 TYR 45 HD2 TYR 45 -3.715 -8.886 3.584 331 HD2 TYR 45 HD1 TYR 45 -0.579 -9.534 0.719 332 HE1 TYR 45 HE2 TYR 45 -4.623 -11.157 3.108 333 HE2 TYR 45 HE1 TYR 45 -1.477 -11.800 0.236 334 HH TYR 45 HH TYR 45 -3.098 -13.345 0.720 335 H ALA 46 H ALA 46 -0.851 -4.580 0.756 336 HA ALA 46 HA ALA 46 -1.277 -2.952 3.217 337 HB1 ALA 46 HB1 ALA 46 0.855 -3.000 1.058 338 HB2 ALA 46 HB2 ALA 46 0.788 -1.789 2.372 339 HB3 ALA 46 HB3 ALA 46 1.029 -3.509 2.758 340 H LEU 47 H LEU 47 -1.626 -2.980 -0.347 341 HA LEU 47 HA LEU 47 -2.235 -0.159 -0.513 342 HB2 LEU 47 HB2 LEU 47 -2.751 -2.545 -2.331 343 HB3 LEU 47 HB3 LEU 47 -3.187 -0.881 -2.764 344 HG LEU 47 HG LEU 47 -0.367 -1.799 -2.121 345 HD11 LEU 47 HD11 LEU 47 -1.749 -1.115 -4.761 346 HD12 LEU 47 HD12 LEU 47 -0.023 -1.495 -4.558 347 HD13 LEU 47 HD13 LEU 47 -1.256 -2.741 -4.237 348 HD21 LEU 47 HD21 LEU 47 0.243 0.408 -3.103 349 HD22 LEU 47 HD22 LEU 47 -1.486 0.833 -3.182 350 HD23 LEU 47 HD23 LEU 47 -0.690 0.578 -1.606 351 H ASN 48 H ASN 48 -4.113 -3.108 0.118 352 HA ASN 48 HA ASN 48 -6.700 -1.961 -0.289 353 HB2 ASN 48 HB2 ASN 48 -6.009 -4.152 1.695 354 HB3 ASN 48 HB3 ASN 48 -7.522 -3.930 0.788 355 HD21 ASN 48 HD22 ASN 48 -4.157 -4.887 0.706 356 HD22 ASN 48 HD21 ASN 48 -4.167 -5.648 -0.876 357 H ASP 49 H ASP 49 -4.459 -2.100 2.451 358 HA ASP 49 HA ASP 49 -6.290 -1.049 4.411 359 HB2 ASP 49 HB2 ASP 49 -4.001 -2.225 4.742 360 HB3 ASP 49 HB3 ASP 49 -3.280 -0.658 4.405 361 H TYR 50 H TYR 50 -4.149 0.426 2.011 362 HA TYR 50 HA TYR 50 -4.571 3.145 2.956 363 HB2 TYR 50 HB2 TYR 50 -2.583 2.382 1.713 364 HB3 TYR 50 HB3 TYR 50 -3.572 2.037 0.301 365 HD1 TYR 50 HD2 TYR 50 -2.086 4.727 2.350 366 HD2 TYR 50 HD1 TYR 50 -4.484 3.782 -1.092 367 HE1 TYR 50 HE2 TYR 50 -1.803 7.050 1.518 368 HE2 TYR 50 HE1 TYR 50 -4.220 6.109 -1.926 369 HH TYR 50 HH TYR 50 -3.317 8.178 -1.529 370 H TYR 51 H TYR 51 -6.109 0.939 0.667 371 HA TYR 51 HA TYR 51 -7.877 2.962 -0.441 372 HB2 TYR 51 HB2 TYR 51 -7.951 -0.070 -0.597 373 HB3 TYR 51 HB3 TYR 51 -8.949 1.027 -1.556 374 HD1 TYR 51 HD2 TYR 51 -6.826 3.141 -2.103 375 HD2 TYR 51 HD1 TYR 51 -6.739 -1.155 -2.357 376 HE1 TYR 51 HE2 TYR 51 -5.058 3.290 -3.810 377 HE2 TYR 51 HE1 TYR 51 -4.961 -1.020 -4.082 378 HH TYR 51 HH TYR 51 -3.643 0.362 -5.351 379 H ASP 52 H ASP 52 -7.767 1.519 2.566 380 HA ASP 52 HA ASP 52 -10.721 1.630 2.936 381 HB2 ASP 52 HB2 ASP 52 -8.407 0.449 4.519 382 HB3 ASP 52 HB3 ASP 52 -10.047 0.562 5.137 383 H LYS 53 H LYS 53 -7.679 3.222 3.649 384 HA LYS 53 HA LYS 53 -8.982 4.753 5.865 385 HB2 LYS 53 HB2 LYS 53 -6.246 3.526 5.622 386 HB3 LYS 53 HB3 LYS 53 -6.613 4.801 6.803 387 HG2 LYS 53 HG2 LYS 53 -8.182 3.508 7.958 388 HG3 LYS 53 HG3 LYS 53 -8.442 2.404 6.590 389 HD2 LYS 53 HD2 LYS 53 -7.162 1.327 8.370 390 HD3 LYS 53 HD3 LYS 53 -6.270 1.437 6.836 391 HE2 LYS 53 HE2 LYS 53 -5.048 3.421 7.692 392 HE3 LYS 53 HE3 LYS 53 -5.901 3.271 9.242 393 HZ1 LYS 53 HZ1 LYS 53 -4.139 1.227 8.054 394 HZ2 LYS 53 HZ2 LYS 53 -3.739 2.232 9.296 395 HZ3 LYS 53 HZ3 LYS 53 -4.915 1.099 9.492 396 H GLU 54 H GLU 54 -7.427 5.021 2.791 397 HA GLU 54 HA GLU 54 -7.138 7.951 3.196 398 HB2 GLU 54 HB2 GLU 54 -5.091 6.126 1.898 399 HB3 GLU 54 HB3 GLU 54 -5.006 7.892 1.914 400 HG2 GLU 54 HG2 GLU 54 -4.968 6.118 4.383 401 HG3 GLU 54 HG3 GLU 54 -3.544 6.830 3.622 402 H ILE 55 H ILE 55 -8.887 5.741 1.644 403 HA ILE 55 HA ILE 55 -8.356 6.238 -1.099 404 HB ILE 55 HB ILE 55 -9.511 4.272 -0.239 405 HG12 ILE 55 HG12 ILE 55 -11.230 5.887 -2.153 406 HG13 ILE 55 HG13 ILE 55 -9.732 5.049 -2.598 407 HG21 ILE 55 HG21 ILE 55 -11.868 6.138 0.274 408 HG22 ILE 55 HG22 ILE 55 -11.863 4.373 0.466 409 HG23 ILE 55 HG23 ILE 55 -10.865 5.376 1.527 410 HD11 ILE 55 HD11 ILE 55 -10.730 2.885 -1.902 411 HD12 ILE 55 HD12 ILE 55 -12.259 3.721 -1.530 412 HD13 ILE 55 HD13 ILE 55 -11.658 3.670 -3.198 413 H GLY 56 H GLY 56 -9.468 7.569 -2.619 414 HA2 GLY 56 HA2 GLY 56 -10.181 10.169 -1.541 415 HA3 GLY 56 HA3 GLY 56 -10.040 9.706 -3.248 416 H THR 57 H THR 57 -12.053 7.373 -2.119 417 HA THR 57 HA THR 57 -14.525 8.939 -2.039 418 HB THR 57 HB THR 57 -14.033 8.865 -4.442 419 HG1 THR 57 HG1 THR 57 -15.997 7.883 -5.027 420 HG21 THR 57 HG21 THR 57 -12.656 6.827 -4.530 421 HG22 THR 57 HG22 THR 57 -14.077 5.836 -4.117 422 HG23 THR 57 HG23 THR 57 -14.024 6.717 -5.658 423 H PHE 58 H PHE 58 -16.427 7.559 -1.700 424 HA PHE 58 HA PHE 58 -15.679 5.041 -0.301 425 HB2 PHE 58 HB2 PHE 58 -18.044 6.887 0.149 426 HB3 PHE 58 HB3 PHE 58 -17.639 5.455 1.097 427 HD1 PHE 58 HD1 PHE 58 -14.548 6.055 1.067 428 HD2 PHE 58 HD2 PHE 58 -18.019 8.399 2.022 429 HE1 PHE 58 HE1 PHE 58 -13.182 7.442 2.604 430 HE2 PHE 58 HE2 PHE 58 -16.653 9.792 3.558 431 HZ PHE 58 HZ PHE 58 -14.237 9.320 3.846 432 H THR 59 H THR 59 -16.707 5.885 -3.191 433 HA THR 59 HA THR 59 -18.481 3.511 -3.474 434 HB THR 59 HB THR 59 -19.918 4.750 -5.023 435 HG1 THR 59 HG1 THR 59 -18.459 6.415 -5.555 436 HG21 THR 59 HG21 THR 59 -19.755 6.098 -2.294 437 HG22 THR 59 HG22 THR 59 -21.172 6.030 -3.362 438 HG23 THR 59 HG23 THR 59 -20.549 4.537 -2.628 439 H ASP 60 H ASP 60 -18.606 2.693 -5.669 440 HA ASP 60 HA ASP 60 -16.407 3.586 -7.440 441 HB2 ASP 60 HB2 ASP 60 -15.608 1.729 -5.952 442 HB3 ASP 60 HB3 ASP 60 -16.884 0.695 -6.615 443 H GLU 61 H GLU 61 -19.620 3.168 -7.151 444 HA GLU 61 HA GLU 61 -19.899 2.838 -10.050 445 HB2 GLU 61 HB2 GLU 61 -20.093 0.531 -9.118 446 HB3 GLU 61 HB3 GLU 61 -21.410 1.079 -8.063 447 HG2 GLU 61 HG2 GLU 61 -22.767 1.639 -10.027 448 HG3 GLU 61 HG3 GLU 61 -21.424 1.217 -11.106 449 H VAL 62 H VAL 62 -21.828 3.785 -10.855 450 HA VAL 62 HA VAL 62 -23.578 5.186 -8.922 451 HB VAL 62 HB VAL 62 -23.413 7.265 -10.247 452 HG11 VAL 62 HG11 VAL 62 -20.716 6.327 -9.193 453 HG12 VAL 62 HG12 VAL 62 -21.258 8.009 -9.376 454 HG13 VAL 62 HG13 VAL 62 -22.053 6.946 -8.199 455 HG21 VAL 62 HG21 VAL 62 -21.073 5.886 -11.635 456 HG22 VAL 62 HG22 VAL 62 -22.630 6.298 -12.389 457 HG23 VAL 62 HG23 VAL 62 -21.549 7.584 -11.824 Start of MODEL 16 1 HA ILE 6 HA ILE 6 13.923 -0.464 -7.376 2 HB ILE 6 HB ILE 6 12.585 -2.102 -6.170 3 HG12 ILE 6 HG12 ILE 6 12.355 -3.531 -8.853 4 HG13 ILE 6 HG13 ILE 6 13.224 -4.122 -7.421 5 HG21 ILE 6 HG21 ILE 6 11.261 -1.253 -8.782 6 HG22 ILE 6 HG22 ILE 6 10.458 -1.533 -7.217 7 HG23 ILE 6 HG23 ILE 6 11.570 -0.168 -7.410 8 HD11 ILE 6 HD11 ILE 6 10.224 -3.630 -7.623 9 HD12 ILE 6 HD12 ILE 6 11.045 -5.199 -7.548 10 HD13 ILE 6 HD13 ILE 6 11.087 -4.112 -6.142 11 H LYS 7 H LYS 7 15.871 -2.374 -9.096 12 HA LYS 7 HA LYS 7 17.160 -3.599 -6.705 13 HB2 LYS 7 HB2 LYS 7 17.137 -4.597 -9.575 14 HB3 LYS 7 HB3 LYS 7 18.037 -5.331 -8.229 15 HG2 LYS 7 HG2 LYS 7 15.910 -5.663 -6.997 16 HG3 LYS 7 HG3 LYS 7 15.013 -5.009 -8.387 17 HD2 LYS 7 HD2 LYS 7 15.939 -6.790 -9.826 18 HD3 LYS 7 HD3 LYS 7 16.804 -7.474 -8.434 19 HE2 LYS 7 HE2 LYS 7 13.779 -7.132 -8.645 20 HE3 LYS 7 HE3 LYS 7 14.651 -8.645 -8.924 21 HZ1 LYS 7 HZ1 LYS 7 13.804 -8.563 -6.709 22 HZ2 LYS 7 HZ2 LYS 7 15.444 -8.531 -6.651 23 HZ3 LYS 7 HZ3 LYS 7 14.576 -7.158 -6.380 24 H ARG 8 H ARG 8 17.456 -0.883 -7.782 25 HA ARG 8 HA ARG 8 19.941 -0.570 -9.157 26 HB2 ARG 8 HB2 ARG 8 18.432 1.248 -7.236 27 HB3 ARG 8 HB3 ARG 8 19.779 1.767 -8.278 28 HG2 ARG 8 HG2 ARG 8 18.572 1.328 -10.259 29 HG3 ARG 8 HG3 ARG 8 17.264 0.519 -9.361 30 HD2 ARG 8 HD2 ARG 8 18.012 3.456 -9.044 31 HD3 ARG 8 HD3 ARG 8 16.693 2.860 -10.065 32 HE ARG 8 HE ARG 8 15.533 2.060 -8.107 33 HH11 ARG 8 HH11 ARG 8 18.287 4.179 -7.435 34 HH12 ARG 8 HH12 ARG 8 17.722 4.585 -5.831 35 HH21 ARG 8 HH21 ARG 8 14.838 2.597 -6.000 36 HH22 ARG 8 HH22 ARG 8 15.781 3.700 -5.028 37 H LYS 9 H LYS 9 21.907 0.465 -8.203 38 HA LYS 9 HA LYS 9 22.880 -1.054 -5.949 39 HB2 LYS 9 HB2 LYS 9 24.098 1.226 -7.546 40 HB3 LYS 9 HB3 LYS 9 24.969 0.171 -6.409 41 HG2 LYS 9 HG2 LYS 9 24.422 -1.799 -7.778 42 HG3 LYS 9 HG3 LYS 9 23.510 -0.786 -8.924 43 HD2 LYS 9 HD2 LYS 9 25.532 0.515 -9.421 44 HD3 LYS 9 HD3 LYS 9 26.445 -0.438 -8.239 45 HE2 LYS 9 HE2 LYS 9 25.088 -1.543 -10.743 46 HE3 LYS 9 HE3 LYS 9 26.816 -1.179 -10.605 47 HZ1 LYS 9 HZ1 LYS 9 26.374 -3.493 -10.230 48 HZ2 LYS 9 HZ2 LYS 9 26.965 -2.812 -8.857 49 HZ3 LYS 9 HZ3 LYS 9 25.361 -3.157 -8.978 50 H ASP 10 H ASP 10 20.669 1.118 -5.688 51 HA ASP 10 HA ASP 10 21.770 2.187 -3.172 52 HB2 ASP 10 HB2 ASP 10 21.961 3.894 -5.023 53 HB3 ASP 10 HB3 ASP 10 20.203 3.847 -5.191 54 H ALA 11 H ALA 11 19.801 0.072 -4.226 55 HA ALA 11 HA ALA 11 17.229 1.021 -3.169 56 HB1 ALA 11 HB1 ALA 11 16.370 -1.055 -4.128 57 HB2 ALA 11 HB2 ALA 11 17.344 -0.166 -5.323 58 HB3 ALA 11 HB3 ALA 11 18.024 -1.589 -4.503 59 H SER 12 H SER 12 15.966 -0.691 -1.889 60 HA SER 12 HA SER 12 17.584 -2.141 0.102 61 HB2 SER 12 HB2 SER 12 17.044 -0.819 1.898 62 HB3 SER 12 HB3 SER 12 17.012 0.428 0.649 63 HG SER 12 HG SER 12 15.143 0.340 2.044 64 HA PRO 13 HA PRO 13 14.172 -4.910 -0.027 65 HB2 PRO 13 HB2 PRO 13 13.555 -5.589 2.545 66 HB3 PRO 13 HB3 PRO 13 15.187 -5.958 1.871 67 HG2 PRO 13 HG2 PRO 13 14.386 -3.482 3.462 68 HG3 PRO 13 HG3 PRO 13 15.694 -4.658 3.865 69 HD2 PRO 13 HD2 PRO 13 16.275 -2.432 2.497 70 HD3 PRO 13 HD3 PRO 13 16.963 -3.986 1.931 71 H GLU 14 H GLU 14 13.789 -2.152 2.113 72 HA GLU 14 HA GLU 14 10.880 -2.232 2.150 73 HB2 GLU 14 HB2 GLU 14 12.977 -0.152 2.904 74 HB3 GLU 14 HB3 GLU 14 11.228 0.080 3.106 75 HG2 GLU 14 HG2 GLU 14 11.081 -1.832 4.601 76 HG3 GLU 14 HG3 GLU 14 12.794 -2.193 4.354 77 H GLN 15 H GLN 15 13.475 -0.785 0.186 78 HA GLN 15 HA GLN 15 11.790 1.067 -1.220 79 HB2 GLN 15 HB2 GLN 15 14.558 0.372 -1.058 80 HB3 GLN 15 HB3 GLN 15 14.118 0.170 -2.753 81 HG2 GLN 15 HG2 GLN 15 14.853 2.493 -2.201 82 HG3 GLN 15 HG3 GLN 15 13.176 2.417 -2.817 83 HE21 GLN 15 HE22 GLN 15 14.426 1.520 0.416 84 HE22 GLN 15 HE21 GLN 15 13.377 2.587 1.318 85 H GLU 16 H GLU 16 12.542 -2.302 -1.558 86 HA GLU 16 HA GLU 16 11.597 -2.483 -4.295 87 HB2 GLU 16 HB2 GLU 16 12.137 -4.592 -2.153 88 HB3 GLU 16 HB3 GLU 16 11.545 -5.004 -3.776 89 HG2 GLU 16 HG2 GLU 16 13.447 -3.771 -4.768 90 HG3 GLU 16 HG3 GLU 16 14.124 -3.522 -3.156 91 H ALA 17 H ALA 17 10.034 -2.236 -1.282 92 HA ALA 17 HA ALA 17 7.454 -3.142 -2.504 93 HB1 ALA 17 HB1 ALA 17 8.220 -2.717 0.407 94 HB2 ALA 17 HB2 ALA 17 6.641 -3.281 -0.184 95 HB3 ALA 17 HB3 ALA 17 8.091 -4.285 -0.425 96 H ILE 18 H ILE 18 9.210 -0.372 -1.202 97 HA ILE 18 HA ILE 18 6.805 1.261 -0.922 98 HB ILE 18 HB ILE 18 9.777 1.744 -0.636 99 HG12 ILE 18 HG12 ILE 18 7.500 1.983 1.375 100 HG13 ILE 18 HG13 ILE 18 8.391 0.486 1.107 101 HG21 ILE 18 HG21 ILE 18 7.523 3.773 -0.371 102 HG22 ILE 18 HG22 ILE 18 9.195 4.036 0.176 103 HG23 ILE 18 HG23 ILE 18 8.856 3.817 -1.546 104 HD11 ILE 18 HD11 ILE 18 9.380 1.625 3.003 105 HD12 ILE 18 HD12 ILE 18 10.529 1.687 1.657 106 HD13 ILE 18 HD13 ILE 18 9.571 3.126 2.074 107 H GLU 19 H GLU 19 9.318 0.752 -3.458 108 HA GLU 19 HA GLU 19 8.551 3.166 -4.858 109 HB2 GLU 19 HB2 GLU 19 10.080 0.680 -5.688 110 HB3 GLU 19 HB3 GLU 19 9.743 2.030 -6.793 111 HG2 GLU 19 HG2 GLU 19 10.818 3.598 -5.171 112 HG3 GLU 19 HG3 GLU 19 11.280 2.207 -4.174 113 H SER 20 H SER 20 7.323 -0.185 -4.818 114 HA SER 20 HA SER 20 5.689 0.196 -7.191 115 HB2 SER 20 HB2 SER 20 5.785 -1.912 -4.992 116 HB3 SER 20 HB3 SER 20 4.811 -2.024 -6.477 117 HG SER 20 HG SER 20 6.846 -3.078 -6.661 118 H PHE 21 H PHE 21 5.381 0.808 -3.750 119 HA PHE 21 HA PHE 21 2.486 0.828 -3.668 120 HB2 PHE 21 HB2 PHE 21 4.168 0.567 -1.744 121 HB3 PHE 21 HB3 PHE 21 4.527 2.241 -1.912 122 HD1 PHE 21 HD1 PHE 21 2.521 3.934 -1.651 123 HD2 PHE 21 HD2 PHE 21 2.422 -0.143 -0.286 124 HE1 PHE 21 HE1 PHE 21 0.577 4.458 -0.191 125 HE2 PHE 21 HE2 PHE 21 0.494 0.383 1.158 126 HZ PHE 21 HZ PHE 21 -0.447 2.661 1.200 127 H THR 22 H THR 22 5.075 3.245 -3.955 128 HA THR 22 HA THR 22 3.294 5.521 -4.271 129 HB THR 22 HB THR 22 6.124 5.517 -5.251 130 HG1 THR 22 HG1 THR 22 6.307 4.374 -3.313 131 HG21 THR 22 HG21 THR 22 6.160 7.709 -4.086 132 HG22 THR 22 HG22 THR 22 4.798 7.623 -5.225 133 HG23 THR 22 HG23 THR 22 4.520 7.407 -3.476 134 H SER 23 H SER 23 4.164 2.974 -6.342 135 HA SER 23 HA SER 23 4.029 4.592 -8.787 136 HB2 SER 23 HB2 SER 23 4.234 1.631 -8.246 137 HB3 SER 23 HB3 SER 23 4.117 2.294 -9.882 138 HG SER 23 HG SER 23 6.175 2.768 -7.996 139 H LEU 24 H LEU 24 1.909 2.944 -6.628 140 HA LEU 24 HA LEU 24 -0.278 2.851 -8.656 141 HB2 LEU 24 HB2 LEU 24 0.277 1.188 -6.174 142 HB3 LEU 24 HB3 LEU 24 -1.234 1.135 -7.097 143 HG LEU 24 HG LEU 24 1.528 0.524 -8.258 144 HD11 LEU 24 HD11 LEU 24 0.872 -1.165 -6.606 145 HD12 LEU 24 HD12 LEU 24 -0.714 -1.345 -7.399 146 HD13 LEU 24 HD13 LEU 24 0.773 -1.829 -8.250 147 HD21 LEU 24 HD21 LEU 24 -1.288 0.152 -9.365 148 HD22 LEU 24 HD22 LEU 24 -0.064 1.294 -9.972 149 HD23 LEU 24 HD23 LEU 24 0.201 -0.450 -10.128 150 H THR 25 H THR 25 0.858 4.256 -5.707 151 HA THR 25 HA THR 25 -1.707 5.726 -5.553 152 HB THR 25 HB THR 25 -1.459 5.939 -3.138 153 HG1 THR 25 HG1 THR 25 0.786 4.246 -3.456 154 HG21 THR 25 HG21 THR 25 -1.221 3.016 -3.974 155 HG22 THR 25 HG22 THR 25 -1.894 3.625 -2.445 156 HG23 THR 25 HG23 THR 25 -2.711 3.985 -3.982 157 H LYS 26 H LYS 26 -1.374 7.994 -4.802 158 HA LYS 26 HA LYS 26 1.292 8.924 -5.746 159 HB2 LYS 26 HB2 LYS 26 -1.382 10.358 -5.889 160 HB3 LYS 26 HB3 LYS 26 0.165 10.980 -6.480 161 HG2 LYS 26 HG2 LYS 26 -1.325 8.525 -7.494 162 HG3 LYS 26 HG3 LYS 26 -1.092 10.059 -8.342 163 HD2 LYS 26 HD2 LYS 26 1.089 8.054 -7.605 164 HD3 LYS 26 HD3 LYS 26 0.436 8.340 -9.213 165 HE2 LYS 26 HE2 LYS 26 1.246 10.684 -9.132 166 HE3 LYS 26 HE3 LYS 26 1.903 10.406 -7.511 167 HZ1 LYS 26 HZ1 LYS 26 2.727 8.992 -9.954 168 HZ2 LYS 26 HZ2 LYS 26 3.585 10.168 -9.185 169 HZ3 LYS 26 HZ3 LYS 26 3.337 8.716 -8.454 170 H CYS 27 H CYS 27 0.526 8.134 -2.978 171 HA CYS 27 HA CYS 27 0.816 10.645 -1.486 172 HB2 CYS 27 HB2 CYS 27 -0.450 8.578 -0.710 173 HB3 CYS 27 HB3 CYS 27 1.126 7.789 -0.481 174 HG CYS 27 HG CYS 27 0.140 8.622 1.805 175 H ASP 28 H ASP 28 2.711 10.193 0.374 176 HA ASP 28 HA ASP 28 5.177 10.408 -1.153 177 HB2 ASP 28 HB2 ASP 28 4.501 10.583 1.797 178 HB3 ASP 28 HB3 ASP 28 6.108 10.886 1.124 179 HA PRO 29 HA PRO 29 6.611 6.242 -0.675 180 HB2 PRO 29 HB2 PRO 29 9.204 7.566 0.135 181 HB3 PRO 29 HB3 PRO 29 8.960 6.245 -1.038 182 HG2 PRO 29 HG2 PRO 29 9.372 8.765 -1.932 183 HG3 PRO 29 HG3 PRO 29 7.995 7.835 -2.631 184 HD2 PRO 29 HD2 PRO 29 7.925 9.844 -0.346 185 HD3 PRO 29 HD3 PRO 29 6.896 9.800 -1.804 186 H LYS 30 H LYS 30 7.228 8.669 1.796 187 HA LYS 30 HA LYS 30 8.241 6.835 3.755 188 HB2 LYS 30 HB2 LYS 30 7.423 9.735 3.636 189 HB3 LYS 30 HB3 LYS 30 7.648 8.988 5.237 190 HG2 LYS 30 HG2 LYS 30 9.670 10.068 4.609 191 HG3 LYS 30 HG3 LYS 30 9.907 8.317 4.682 192 HD2 LYS 30 HD2 LYS 30 9.860 8.158 2.242 193 HD3 LYS 30 HD3 LYS 30 9.460 9.896 2.114 194 HE2 LYS 30 HE2 LYS 30 11.514 10.447 3.354 195 HE3 LYS 30 HE3 LYS 30 11.922 8.728 3.465 196 HZ1 LYS 30 HZ1 LYS 30 11.672 10.253 0.947 197 HZ2 LYS 30 HZ2 LYS 30 13.089 9.801 1.640 198 HZ3 LYS 30 HZ3 LYS 30 12.061 8.660 1.060 199 H VAL 31 H VAL 31 5.072 7.562 2.637 200 HA VAL 31 HA VAL 31 3.761 6.755 5.166 201 HB VAL 31 HB VAL 31 2.664 7.592 2.460 202 HG11 VAL 31 HG11 VAL 31 1.270 7.015 5.111 203 HG12 VAL 31 HG12 VAL 31 0.506 7.796 3.706 204 HG13 VAL 31 HG13 VAL 31 1.060 6.120 3.584 205 HG21 VAL 31 HG21 VAL 31 2.037 9.654 3.686 206 HG22 VAL 31 HG22 VAL 31 2.826 9.020 5.150 207 HG23 VAL 31 HG23 VAL 31 3.793 9.412 3.711 208 H SER 32 H SER 32 4.768 5.412 2.044 209 HA SER 32 HA SER 32 3.103 3.073 2.152 210 HB2 SER 32 HB2 SER 32 4.260 3.709 0.103 211 HB3 SER 32 HB3 SER 32 5.834 3.612 0.889 212 HG SER 32 HG SER 32 4.030 1.458 0.526 213 H ARG 33 H ARG 33 6.320 3.885 3.388 214 HA ARG 33 HA ARG 33 7.077 1.410 4.536 215 HB2 ARG 33 HB2 ARG 33 8.557 3.378 4.389 216 HB3 ARG 33 HB3 ARG 33 7.478 4.286 5.462 217 HG2 ARG 33 HG2 ARG 33 8.012 2.709 7.323 218 HG3 ARG 33 HG3 ARG 33 9.088 1.814 6.238 219 HD2 ARG 33 HD2 ARG 33 10.375 3.362 7.619 220 HD3 ARG 33 HD3 ARG 33 10.458 3.839 5.911 221 HE ARG 33 HE ARG 33 8.292 5.199 7.225 222 HH11 ARG 33 HH11 ARG 33 11.828 5.190 7.038 223 HH12 ARG 33 HH12 ARG 33 11.966 6.883 7.445 224 HH21 ARG 33 HH21 ARG 33 8.504 7.411 7.735 225 HH22 ARG 33 HH22 ARG 33 10.093 8.132 7.837 226 H LYS 34 H LYS 34 4.665 3.735 5.535 227 HA LYS 34 HA LYS 34 4.382 2.559 8.225 228 HB2 LYS 34 HB2 LYS 34 4.394 4.946 8.101 229 HB3 LYS 34 HB3 LYS 34 3.276 4.959 6.739 230 HG2 LYS 34 HG2 LYS 34 1.437 4.195 8.155 231 HG3 LYS 34 HG3 LYS 34 2.532 4.098 9.561 232 HD2 LYS 34 HD2 LYS 34 2.895 6.480 9.530 233 HD3 LYS 34 HD3 LYS 34 2.158 6.635 7.924 234 HE2 LYS 34 HE2 LYS 34 0.613 7.421 9.648 235 HE3 LYS 34 HE3 LYS 34 -0.013 5.997 8.799 236 HZ1 LYS 34 HZ1 LYS 34 -0.313 5.858 11.188 237 HZ2 LYS 34 HZ2 LYS 34 0.690 4.661 10.673 238 HZ3 LYS 34 HZ3 LYS 34 1.305 5.979 11.441 239 H TYR 35 H TYR 35 2.888 2.337 5.054 240 HA TYR 35 HA TYR 35 0.574 0.911 6.248 241 HB2 TYR 35 HB2 TYR 35 1.062 2.265 3.614 242 HB3 TYR 35 HB3 TYR 35 -0.088 0.931 3.699 243 HD1 TYR 35 HD2 TYR 35 0.607 4.360 4.915 244 HD2 TYR 35 HD1 TYR 35 -2.179 1.085 4.836 245 HE1 TYR 35 HE2 TYR 35 -1.171 5.855 5.783 246 HE2 TYR 35 HE1 TYR 35 -3.955 2.566 5.733 247 HH TYR 35 HH TYR 35 -4.491 4.677 6.437 248 H LEU 36 H LEU 36 3.663 0.163 5.133 249 HA LEU 36 HA LEU 36 2.817 -2.581 4.334 250 HB2 LEU 36 HB2 LEU 36 5.418 -1.003 4.245 251 HB3 LEU 36 HB3 LEU 36 5.373 -2.745 3.947 252 HG LEU 36 HG LEU 36 3.631 -0.815 2.375 253 HD11 LEU 36 HD11 LEU 36 6.419 -1.849 1.709 254 HD12 LEU 36 HD12 LEU 36 5.362 -0.926 0.614 255 HD13 LEU 36 HD13 LEU 36 6.000 -0.164 2.089 256 HD21 LEU 36 HD21 LEU 36 3.111 -3.303 2.389 257 HD22 LEU 36 HD22 LEU 36 3.551 -2.672 0.787 258 HD23 LEU 36 HD23 LEU 36 4.738 -3.587 1.738 259 H GLN 37 H GLN 37 3.683 -0.744 7.042 260 HA GLN 37 HA GLN 37 5.168 -2.859 8.422 261 HB2 GLN 37 HB2 GLN 37 4.897 0.008 8.569 262 HB3 GLN 37 HB3 GLN 37 4.659 -0.711 10.187 263 HG2 GLN 37 HG2 GLN 37 6.776 -1.811 10.090 264 HG3 GLN 37 HG3 GLN 37 6.864 -1.606 8.334 265 HE21 GLN 37 HE22 GLN 37 9.063 -0.880 8.917 266 HE22 GLN 37 HE21 GLN 37 9.256 0.848 9.101 267 H ARG 38 H ARG 38 1.969 -2.369 7.804 268 HA ARG 38 HA ARG 38 1.103 -3.561 10.399 269 HB2 ARG 38 HB2 ARG 38 -0.888 -2.393 8.499 270 HB3 ARG 38 HB3 ARG 38 -0.894 -2.402 10.257 271 HG2 ARG 38 HG2 ARG 38 0.781 -0.606 8.452 272 HG3 ARG 38 HG3 ARG 38 -0.694 -0.138 9.295 273 HD2 ARG 38 HD2 ARG 38 1.870 -1.022 10.679 274 HD3 ARG 38 HD3 ARG 38 1.326 0.652 10.491 275 HE ARG 38 HE ARG 38 -0.815 -0.607 11.699 276 HH11 ARG 38 HH11 ARG 38 2.624 -0.251 12.471 277 HH12 ARG 38 HH12 ARG 38 2.359 -0.332 14.195 278 HH21 ARG 38 HH21 ARG 38 -1.121 -0.709 13.960 279 HH22 ARG 38 HH22 ARG 38 0.252 -0.579 15.030 280 H ASN 39 H ASN 39 1.961 -4.355 7.314 281 HA ASN 39 HA ASN 39 -0.148 -6.408 6.990 282 HB2 ASN 39 HB2 ASN 39 0.758 -4.389 4.903 283 HB3 ASN 39 HB3 ASN 39 -0.420 -5.674 4.629 284 HD21 ASN 39 HD22 ASN 39 0.055 -2.449 5.548 285 HD22 ASN 39 HD21 ASN 39 -1.460 -2.106 6.327 286 H HIS 40 H HIS 40 2.691 -6.580 7.815 287 HA HIS 40 HA HIS 40 4.472 -7.906 7.447 288 HB2 HIS 40 HB2 HIS 40 2.725 -9.553 5.617 289 HB3 HIS 40 HB3 HIS 40 4.022 -10.095 6.687 290 HD2 HIS 40 HD2 HIS 40 0.435 -10.231 6.499 291 HE1 HIS 40 HE1 HIS 40 1.033 -9.712 10.678 292 HE2 HIS 40 HE2 HIS 40 -0.652 -10.363 8.878 293 H TRP 41 H TRP 41 4.102 -5.644 5.578 294 HA TRP 41 HA TRP 41 5.023 -4.766 3.752 295 HB2 TRP 41 HB2 TRP 41 7.163 -6.784 4.446 296 HB3 TRP 41 HB3 TRP 41 7.337 -5.566 3.195 297 HD1 TRP 41 HD1 TRP 41 6.773 -5.738 6.985 298 HE1 TRP 41 HE1 TRP 41 7.532 -3.524 8.034 299 HE3 TRP 41 HE3 TRP 41 7.996 -3.334 2.744 300 HZ2 TRP 41 HZ2 TRP 41 8.276 -0.841 7.043 301 HZ3 TRP 41 HZ3 TRP 41 8.785 -0.951 2.774 302 HH2 TRP 41 HH2 TRP 41 8.940 0.270 4.914 303 H ASN 42 H ASN 42 3.045 -6.926 3.264 304 HA ASN 42 HA ASN 42 3.809 -7.684 0.510 305 HB2 ASN 42 HB2 ASN 42 1.427 -8.234 2.332 306 HB3 ASN 42 HB3 ASN 42 1.424 -8.609 0.603 307 HD21 ASN 42 HD22 ASN 42 2.693 -10.285 -0.229 308 HD22 ASN 42 HD21 ASN 42 3.473 -11.462 0.806 309 H ILE 43 H ILE 43 3.422 -6.228 -1.121 310 HA ILE 43 HA ILE 43 1.878 -3.850 -0.626 311 HB ILE 43 HB ILE 43 3.321 -5.079 -2.956 312 HG12 ILE 43 HG12 ILE 43 4.312 -3.525 -1.191 313 HG13 ILE 43 HG13 ILE 43 4.538 -2.954 -2.865 314 HG21 ILE 43 HG21 ILE 43 2.558 -3.231 -4.453 315 HG22 ILE 43 HG22 ILE 43 1.275 -4.397 -4.083 316 HG23 ILE 43 HG23 ILE 43 1.303 -2.815 -3.270 317 HD11 ILE 43 HD11 ILE 43 3.849 -1.272 -1.158 318 HD12 ILE 43 HD12 ILE 43 2.869 -1.318 -2.658 319 HD13 ILE 43 HD13 ILE 43 2.236 -2.017 -1.151 320 H ASN 44 H ASN 44 1.028 -7.084 -1.487 321 HA ASN 44 HA ASN 44 -1.456 -6.243 -2.781 322 HB2 ASN 44 HB2 ASN 44 -0.411 -8.996 -1.968 323 HB3 ASN 44 HB3 ASN 44 -1.851 -8.717 -2.950 324 HD21 ASN 44 HD22 ASN 44 0.516 -10.242 -3.693 325 HD22 ASN 44 HD21 ASN 44 1.189 -9.457 -5.107 326 H TYR 45 H TYR 45 -0.474 -6.246 0.337 327 HA TYR 45 HA TYR 45 -3.233 -6.688 1.377 328 HB2 TYR 45 HB2 TYR 45 -0.535 -7.615 2.387 329 HB3 TYR 45 HB3 TYR 45 -1.871 -7.415 3.491 330 HD1 TYR 45 HD2 TYR 45 -3.929 -8.812 3.268 331 HD2 TYR 45 HD1 TYR 45 -0.458 -9.475 0.815 332 HE1 TYR 45 HE2 TYR 45 -4.773 -11.073 2.683 333 HE2 TYR 45 HE1 TYR 45 -1.291 -11.727 0.227 334 HH TYR 45 HH TYR 45 -2.971 -13.267 0.502 335 H ALA 46 H ALA 46 -0.834 -4.490 0.699 336 HA ALA 46 HA ALA 46 -1.340 -2.837 3.130 337 HB1 ALA 46 HB1 ALA 46 0.868 -2.869 1.047 338 HB2 ALA 46 HB2 ALA 46 0.726 -1.654 2.347 339 HB3 ALA 46 HB3 ALA 46 0.988 -3.365 2.761 340 H LEU 47 H LEU 47 -1.668 -2.940 -0.422 341 HA LEU 47 HA LEU 47 -2.235 -0.108 -0.657 342 HB2 LEU 47 HB2 LEU 47 -2.803 -2.529 -2.417 343 HB3 LEU 47 HB3 LEU 47 -3.216 -0.873 -2.882 344 HG LEU 47 HG LEU 47 -0.408 -1.813 -2.234 345 HD11 LEU 47 HD11 LEU 47 -1.777 -1.188 -4.885 346 HD12 LEU 47 HD12 LEU 47 -0.057 -1.588 -4.672 347 HD13 LEU 47 HD13 LEU 47 -1.306 -2.806 -4.312 348 HD21 LEU 47 HD21 LEU 47 -1.482 0.805 -3.371 349 HD22 LEU 47 HD22 LEU 47 -0.696 0.593 -1.790 350 HD23 LEU 47 HD23 LEU 47 0.241 0.357 -3.272 351 H ASN 48 H ASN 48 -4.142 -3.044 -0.012 352 HA ASN 48 HA ASN 48 -6.717 -1.838 -0.329 353 HB2 ASN 48 HB2 ASN 48 -6.038 -4.083 1.594 354 HB3 ASN 48 HB3 ASN 48 -7.549 -3.820 0.698 355 HD21 ASN 48 HD22 ASN 48 -4.197 -4.852 0.587 356 HD22 ASN 48 HD21 ASN 48 -4.237 -5.594 -1.001 357 H ASP 49 H ASP 49 -4.385 -2.063 2.317 358 HA ASP 49 HA ASP 49 -6.079 -1.084 4.413 359 HB2 ASP 49 HB2 ASP 49 -3.786 -2.273 4.525 360 HB3 ASP 49 HB3 ASP 49 -3.066 -0.720 4.126 361 H TYR 50 H TYR 50 -4.152 0.469 1.893 362 HA TYR 50 HA TYR 50 -4.568 3.169 2.937 363 HB2 TYR 50 HB2 TYR 50 -2.578 2.485 1.675 364 HB3 TYR 50 HB3 TYR 50 -3.556 2.132 0.262 365 HD1 TYR 50 HD2 TYR 50 -2.129 4.810 2.356 366 HD2 TYR 50 HD1 TYR 50 -4.506 3.909 -1.108 367 HE1 TYR 50 HE2 TYR 50 -1.891 7.166 1.581 368 HE2 TYR 50 HE1 TYR 50 -4.283 6.253 -1.886 369 HH TYR 50 HH TYR 50 -3.412 8.326 -1.444 370 H TYR 51 H TYR 51 -6.074 0.968 0.621 371 HA TYR 51 HA TYR 51 -7.919 2.964 -0.420 372 HB2 TYR 51 HB2 TYR 51 -7.934 -0.060 -0.654 373 HB3 TYR 51 HB3 TYR 51 -8.948 1.053 -1.574 374 HD1 TYR 51 HD2 TYR 51 -6.836 3.207 -2.059 375 HD2 TYR 51 HD1 TYR 51 -6.746 -1.075 -2.471 376 HE1 TYR 51 HE2 TYR 51 -5.080 3.422 -3.777 377 HE2 TYR 51 HE1 TYR 51 -4.968 -0.872 -4.197 378 HH TYR 51 HH TYR 51 -3.668 0.552 -5.423 379 H ASP 52 H ASP 52 -7.721 1.490 2.561 380 HA ASP 52 HA ASP 52 -10.667 1.399 2.949 381 HB2 ASP 52 HB2 ASP 52 -8.248 0.448 4.537 382 HB3 ASP 52 HB3 ASP 52 -9.864 0.484 5.210 383 H LYS 53 H LYS 53 -7.702 3.139 3.772 384 HA LYS 53 HA LYS 53 -9.208 4.733 5.801 385 HB2 LYS 53 HB2 LYS 53 -6.307 3.878 5.704 386 HB3 LYS 53 HB3 LYS 53 -7.037 4.930 6.941 387 HG2 LYS 53 HG2 LYS 53 -8.598 3.149 7.585 388 HG3 LYS 53 HG3 LYS 53 -7.914 2.072 6.340 389 HD2 LYS 53 HD2 LYS 53 -5.717 2.196 7.407 390 HD3 LYS 53 HD3 LYS 53 -6.356 3.330 8.621 391 HE2 LYS 53 HE2 LYS 53 -6.249 1.079 9.578 392 HE3 LYS 53 HE3 LYS 53 -7.938 1.573 9.408 393 HZ1 LYS 53 HZ1 LYS 53 -7.574 -0.667 8.647 394 HZ2 LYS 53 HZ2 LYS 53 -8.033 0.283 7.382 395 HZ3 LYS 53 HZ3 LYS 53 -6.461 -0.163 7.545 396 H GLU 54 H GLU 54 -7.591 4.992 2.764 397 HA GLU 54 HA GLU 54 -7.453 7.942 3.107 398 HB2 GLU 54 HB2 GLU 54 -5.338 6.175 1.837 399 HB3 GLU 54 HB3 GLU 54 -5.331 7.938 1.796 400 HG2 GLU 54 HG2 GLU 54 -5.195 6.255 4.332 401 HG3 GLU 54 HG3 GLU 54 -3.825 7.037 3.546 402 H ILE 55 H ILE 55 -9.130 5.654 1.622 403 HA ILE 55 HA ILE 55 -8.669 6.167 -1.137 404 HB ILE 55 HB ILE 55 -9.697 4.128 -0.273 405 HG12 ILE 55 HG12 ILE 55 -11.598 5.643 -2.098 406 HG13 ILE 55 HG13 ILE 55 -10.056 4.923 -2.614 407 HG21 ILE 55 HG21 ILE 55 -11.058 5.163 1.548 408 HG22 ILE 55 HG22 ILE 55 -12.151 5.840 0.322 409 HG23 ILE 55 HG23 ILE 55 -12.010 4.081 0.524 410 HD11 ILE 55 HD11 ILE 55 -12.459 3.424 -1.475 411 HD12 ILE 55 HD12 ILE 55 -11.897 3.420 -3.156 412 HD13 ILE 55 HD13 ILE 55 -10.887 2.692 -1.892 413 H GLY 56 H GLY 56 -9.953 7.366 -2.650 414 HA2 GLY 56 HA2 GLY 56 -11.083 9.856 -1.591 415 HA3 GLY 56 HA3 GLY 56 -10.777 9.430 -3.283 416 H THR 57 H THR 57 -12.635 9.542 -4.336 417 HA THR 57 HA THR 57 -14.903 7.867 -3.480 418 HB THR 57 HB THR 57 -15.320 10.049 -2.405 419 HG1 THR 57 HG1 THR 57 -17.377 10.306 -3.354 420 HG21 THR 57 HG21 THR 57 -15.362 11.134 -5.257 421 HG22 THR 57 HG22 THR 57 -15.813 12.031 -3.791 422 HG23 THR 57 HG23 THR 57 -14.132 11.513 -4.026 423 H PHE 58 H PHE 58 -16.614 7.798 -5.204 424 HA PHE 58 HA PHE 58 -15.361 8.017 -7.889 425 HB2 PHE 58 HB2 PHE 58 -17.347 5.985 -6.832 426 HB3 PHE 58 HB3 PHE 58 -16.698 6.039 -8.476 427 HD1 PHE 58 HD2 PHE 58 -14.200 5.812 -8.819 428 HD2 PHE 58 HD1 PHE 58 -16.121 4.957 -5.077 429 HE1 PHE 58 HE2 PHE 58 -12.198 4.548 -8.090 430 HE2 PHE 58 HE1 PHE 58 -14.132 3.654 -4.350 431 HZ PHE 58 HZ PHE 58 -12.169 3.448 -5.857 432 H THR 59 H THR 59 -17.553 9.444 -5.943 433 HA THR 59 HA THR 59 -19.677 9.836 -7.972 434 HB THR 59 HB THR 59 -20.901 10.951 -6.186 435 HG1 THR 59 HG1 THR 59 -19.981 10.982 -4.104 436 HG21 THR 59 HG21 THR 59 -19.679 8.323 -5.239 437 HG22 THR 59 HG22 THR 59 -21.231 9.013 -4.718 438 HG23 THR 59 HG23 THR 59 -21.016 8.471 -6.401 439 H ASP 60 H ASP 60 -20.541 12.121 -8.167 440 HA ASP 60 HA ASP 60 -18.248 13.924 -8.679 441 HB2 ASP 60 HB2 ASP 60 -21.075 13.933 -9.789 442 HB3 ASP 60 HB3 ASP 60 -19.786 15.054 -10.240 443 H GLU 61 H GLU 61 -19.870 13.461 -6.051 444 HA GLU 61 HA GLU 61 -20.305 16.361 -5.561 445 HB2 GLU 61 HB2 GLU 61 -21.962 14.009 -4.561 446 HB3 GLU 61 HB3 GLU 61 -22.136 15.670 -3.986 447 HG2 GLU 61 HG2 GLU 61 -22.551 14.736 -6.858 448 HG3 GLU 61 HG3 GLU 61 -23.828 15.084 -5.692 449 H VAL 62 H VAL 62 -20.150 16.949 -3.250 450 HA VAL 62 HA VAL 62 -18.401 15.173 -1.648 451 HB VAL 62 HB VAL 62 -16.936 17.090 -1.117 452 HG11 VAL 62 HG11 VAL 62 -17.083 16.508 -4.103 453 HG12 VAL 62 HG12 VAL 62 -15.665 17.078 -3.199 454 HG13 VAL 62 HG13 VAL 62 -16.321 15.458 -2.883 455 HG21 VAL 62 HG21 VAL 62 -18.495 18.936 -1.661 456 HG22 VAL 62 HG22 VAL 62 -16.963 19.100 -2.542 457 HG23 VAL 62 HG23 VAL 62 -18.405 18.504 -3.385 Start of MODEL 17 1 HA ILE 6 HA ILE 6 16.918 -5.981 -9.416 2 HB ILE 6 HB ILE 6 17.098 -3.735 -8.415 3 HG12 ILE 6 HG12 ILE 6 16.089 -5.086 -5.873 4 HG13 ILE 6 HG13 ILE 6 17.725 -4.450 -6.120 5 HG21 ILE 6 HG21 ILE 6 14.975 -4.604 -9.405 6 HG22 ILE 6 HG22 ILE 6 14.444 -5.079 -7.772 7 HG23 ILE 6 HG23 ILE 6 14.715 -3.366 -8.161 8 HD11 ILE 6 HD11 ILE 6 16.778 -2.180 -6.468 9 HD12 ILE 6 HD12 ILE 6 15.146 -2.827 -6.147 10 HD13 ILE 6 HD13 ILE 6 16.369 -2.852 -4.867 11 H LYS 7 H LYS 7 18.944 -4.573 -9.486 12 HA LYS 7 HA LYS 7 21.109 -5.836 -7.884 13 HB2 LYS 7 HB2 LYS 7 22.515 -5.827 -9.893 14 HB3 LYS 7 HB3 LYS 7 21.053 -6.806 -10.105 15 HG2 LYS 7 HG2 LYS 7 19.977 -4.966 -11.355 16 HG3 LYS 7 HG3 LYS 7 21.397 -3.933 -11.084 17 HD2 LYS 7 HD2 LYS 7 21.467 -4.896 -13.336 18 HD3 LYS 7 HD3 LYS 7 22.801 -5.525 -12.358 19 HE2 LYS 7 HE2 LYS 7 21.510 -7.590 -11.914 20 HE3 LYS 7 HE3 LYS 7 20.153 -6.958 -12.860 21 HZ1 LYS 7 HZ1 LYS 7 22.860 -7.508 -13.889 22 HZ2 LYS 7 HZ2 LYS 7 21.529 -8.435 -14.150 23 HZ3 LYS 7 HZ3 LYS 7 21.612 -6.915 -14.776 24 H ARG 8 H ARG 8 19.567 -3.166 -7.734 25 HA ARG 8 HA ARG 8 21.445 -1.105 -8.430 26 HB2 ARG 8 HB2 ARG 8 19.123 -1.120 -6.455 27 HB3 ARG 8 HB3 ARG 8 19.982 0.328 -7.032 28 HG2 ARG 8 HG2 ARG 8 19.300 -0.165 -9.329 29 HG3 ARG 8 HG3 ARG 8 18.409 -1.593 -8.732 30 HD2 ARG 8 HD2 ARG 8 17.065 -0.112 -7.257 31 HD3 ARG 8 HD3 ARG 8 17.905 1.303 -7.918 32 HE ARG 8 HE ARG 8 16.912 0.040 -10.155 33 HH11 ARG 8 HH11 ARG 8 15.500 1.203 -7.136 34 HH12 ARG 8 HH12 ARG 8 13.928 1.497 -7.829 35 HH21 ARG 8 HH21 ARG 8 14.840 0.455 -11.063 36 HH22 ARG 8 HH22 ARG 8 13.560 1.075 -10.049 37 H LYS 9 H LYS 9 22.551 0.318 -6.893 38 HA LYS 9 HA LYS 9 23.596 -1.168 -4.531 39 HB2 LYS 9 HB2 LYS 9 24.973 0.848 -6.358 40 HB3 LYS 9 HB3 LYS 9 25.640 0.229 -4.852 41 HG2 LYS 9 HG2 LYS 9 26.666 -1.116 -6.413 42 HG3 LYS 9 HG3 LYS 9 25.320 -2.134 -5.880 43 HD2 LYS 9 HD2 LYS 9 24.031 -1.452 -7.909 44 HD3 LYS 9 HD3 LYS 9 25.382 -0.417 -8.410 45 HE2 LYS 9 HE2 LYS 9 25.516 -3.433 -8.000 46 HE3 LYS 9 HE3 LYS 9 25.340 -2.627 -9.566 47 HZ1 LYS 9 HZ1 LYS 9 27.630 -2.308 -7.736 48 HZ2 LYS 9 HZ2 LYS 9 27.622 -3.186 -9.120 49 HZ3 LYS 9 HZ3 LYS 9 27.449 -1.552 -9.191 50 H ASP 10 H ASP 10 21.272 0.852 -4.976 51 HA ASP 10 HA ASP 10 21.953 2.412 -2.568 52 HB2 ASP 10 HB2 ASP 10 22.463 3.783 -4.613 53 HB3 ASP 10 HB3 ASP 10 20.764 3.658 -5.080 54 H ALA 11 H ALA 11 20.193 0.062 -3.348 55 HA ALA 11 HA ALA 11 17.517 1.198 -2.686 56 HB1 ALA 11 HB1 ALA 11 18.280 -1.428 -4.008 57 HB2 ALA 11 HB2 ALA 11 16.624 -0.842 -3.701 58 HB3 ALA 11 HB3 ALA 11 17.678 0.029 -4.835 59 H SER 12 H SER 12 16.097 -0.543 -1.542 60 HA SER 12 HA SER 12 17.571 -1.988 0.564 61 HB2 SER 12 HB2 SER 12 16.882 -0.670 2.299 62 HB3 SER 12 HB3 SER 12 16.869 0.572 1.047 63 HG SER 12 HG SER 12 14.916 0.389 2.334 64 HA PRO 13 HA PRO 13 14.226 -4.818 0.161 65 HB2 PRO 13 HB2 PRO 13 13.470 -5.555 2.669 66 HB3 PRO 13 HB3 PRO 13 15.153 -5.865 2.102 67 HG2 PRO 13 HG2 PRO 13 14.167 -3.446 3.682 68 HG3 PRO 13 HG3 PRO 13 15.487 -4.585 4.145 69 HD2 PRO 13 HD2 PRO 13 16.065 -2.302 2.845 70 HD3 PRO 13 HD3 PRO 13 16.864 -3.823 2.327 71 H GLU 14 H GLU 14 13.656 -2.093 2.309 72 HA GLU 14 HA GLU 14 10.751 -2.275 2.162 73 HB2 GLU 14 HB2 GLU 14 12.645 -0.059 3.050 74 HB3 GLU 14 HB3 GLU 14 10.874 -0.032 3.217 75 HG2 GLU 14 HG2 GLU 14 10.988 -2.089 4.603 76 HG3 GLU 14 HG3 GLU 14 12.751 -2.042 4.501 77 H GLN 15 H GLN 15 13.404 -0.751 0.366 78 HA GLN 15 HA GLN 15 11.773 1.116 -1.088 79 HB2 GLN 15 HB2 GLN 15 14.539 0.449 -0.804 80 HB3 GLN 15 HB3 GLN 15 14.185 0.263 -2.517 81 HG2 GLN 15 HG2 GLN 15 14.864 2.593 -1.895 82 HG3 GLN 15 HG3 GLN 15 13.219 2.505 -2.592 83 HE21 GLN 15 HE22 GLN 15 14.283 1.555 0.686 84 HE22 GLN 15 HE21 GLN 15 13.186 2.616 1.539 85 H GLU 16 H GLU 16 12.536 -2.236 -1.444 86 HA GLU 16 HA GLU 16 11.731 -2.370 -4.229 87 HB2 GLU 16 HB2 GLU 16 12.117 -4.520 -2.101 88 HB3 GLU 16 HB3 GLU 16 11.643 -4.886 -3.770 89 HG2 GLU 16 HG2 GLU 16 13.640 -3.696 -4.594 90 HG3 GLU 16 HG3 GLU 16 14.182 -3.434 -2.929 91 H ALA 17 H ALA 17 10.060 -2.275 -1.240 92 HA ALA 17 HA ALA 17 7.511 -3.126 -2.553 93 HB1 ALA 17 HB1 ALA 17 8.193 -2.710 0.378 94 HB2 ALA 17 HB2 ALA 17 6.637 -3.290 -0.263 95 HB3 ALA 17 HB3 ALA 17 8.102 -4.277 -0.461 96 H ILE 18 H ILE 18 9.196 -0.331 -1.184 97 HA ILE 18 HA ILE 18 6.764 1.249 -0.967 98 HB ILE 18 HB ILE 18 9.725 1.798 -0.626 99 HG12 ILE 18 HG12 ILE 18 7.409 2.022 1.344 100 HG13 ILE 18 HG13 ILE 18 8.307 0.522 1.092 101 HG21 ILE 18 HG21 ILE 18 8.774 3.849 -1.559 102 HG22 ILE 18 HG22 ILE 18 7.437 3.796 -0.388 103 HG23 ILE 18 HG23 ILE 18 9.107 4.068 0.165 104 HD11 ILE 18 HD11 ILE 18 9.464 3.166 2.070 105 HD12 ILE 18 HD12 ILE 18 9.235 1.676 3.010 106 HD13 ILE 18 HD13 ILE 18 10.423 1.708 1.695 107 H GLU 19 H GLU 19 9.318 0.770 -3.452 108 HA GLU 19 HA GLU 19 8.601 3.154 -4.904 109 HB2 GLU 19 HB2 GLU 19 10.050 0.603 -5.663 110 HB3 GLU 19 HB3 GLU 19 9.740 1.911 -6.822 111 HG2 GLU 19 HG2 GLU 19 10.898 3.530 -5.387 112 HG3 GLU 19 HG3 GLU 19 11.204 2.282 -4.176 113 H SER 20 H SER 20 7.336 -0.209 -4.918 114 HA SER 20 HA SER 20 5.679 0.243 -7.260 115 HB2 SER 20 HB2 SER 20 5.737 -1.901 -5.093 116 HB3 SER 20 HB3 SER 20 4.785 -1.978 -6.588 117 HG SER 20 HG SER 20 6.812 -3.058 -6.762 118 H PHE 21 H PHE 21 5.382 0.761 -3.787 119 HA PHE 21 HA PHE 21 2.494 0.884 -3.726 120 HB2 PHE 21 HB2 PHE 21 4.176 0.611 -1.786 121 HB3 PHE 21 HB3 PHE 21 4.518 2.289 -1.953 122 HD1 PHE 21 HD1 PHE 21 2.452 3.950 -1.746 123 HD2 PHE 21 HD2 PHE 21 2.462 -0.112 -0.330 124 HE1 PHE 21 HE1 PHE 21 0.490 4.436 -0.301 125 HE2 PHE 21 HE2 PHE 21 0.514 0.379 1.109 126 HZ PHE 21 HZ PHE 21 -0.485 2.648 1.111 127 H THR 22 H THR 22 5.143 3.262 -3.965 128 HA THR 22 HA THR 22 3.435 5.571 -4.263 129 HB THR 22 HB THR 22 6.243 5.454 -5.318 130 HG1 THR 22 HG1 THR 22 6.381 4.372 -3.318 131 HG21 THR 22 HG21 THR 22 6.372 7.684 -4.236 132 HG22 THR 22 HG22 THR 22 4.980 7.604 -5.343 133 HG23 THR 22 HG23 THR 22 4.736 7.459 -3.586 134 H SER 23 H SER 23 4.187 3.007 -6.385 135 HA SER 23 HA SER 23 4.033 4.671 -8.792 136 HB2 SER 23 HB2 SER 23 4.201 1.690 -8.312 137 HB3 SER 23 HB3 SER 23 4.112 2.394 -9.934 138 HG SER 23 HG SER 23 6.144 2.799 -8.005 139 H LEU 24 H LEU 24 1.970 2.739 -6.711 140 HA LEU 24 HA LEU 24 -0.226 2.718 -8.718 141 HB2 LEU 24 HB2 LEU 24 0.295 1.177 -6.151 142 HB3 LEU 24 HB3 LEU 24 -1.224 1.105 -7.055 143 HG LEU 24 HG LEU 24 1.519 0.406 -8.214 144 HD11 LEU 24 HD11 LEU 24 -0.733 -1.390 -7.231 145 HD12 LEU 24 HD12 LEU 24 0.736 -1.936 -8.074 146 HD13 LEU 24 HD13 LEU 24 0.869 -1.191 -6.468 147 HD21 LEU 24 HD21 LEU 24 -0.082 1.108 -9.949 148 HD22 LEU 24 HD22 LEU 24 0.163 -0.641 -10.023 149 HD23 LEU 24 HD23 LEU 24 -1.313 0.009 -9.273 150 H THR 25 H THR 25 0.777 4.064 -5.633 151 HA THR 25 HA THR 25 -1.653 5.762 -5.774 152 HB THR 25 HB THR 25 -1.699 5.963 -3.372 153 HG1 THR 25 HG1 THR 25 -0.294 4.614 -2.137 154 HG21 THR 25 HG21 THR 25 -1.506 3.023 -4.151 155 HG22 THR 25 HG22 THR 25 -2.333 3.680 -2.718 156 HG23 THR 25 HG23 THR 25 -2.941 4.059 -4.346 157 H LYS 26 H LYS 26 -1.192 8.033 -5.194 158 HA LYS 26 HA LYS 26 1.626 8.605 -5.906 159 HB2 LYS 26 HB2 LYS 26 -0.762 10.435 -6.202 160 HB3 LYS 26 HB3 LYS 26 0.867 10.677 -6.842 161 HG2 LYS 26 HG2 LYS 26 -1.149 8.570 -7.697 162 HG3 LYS 26 HG3 LYS 26 -0.522 9.916 -8.649 163 HD2 LYS 26 HD2 LYS 26 1.770 8.848 -8.546 164 HD3 LYS 26 HD3 LYS 26 1.026 7.456 -7.727 165 HE2 LYS 26 HE2 LYS 26 -0.512 7.162 -9.654 166 HE3 LYS 26 HE3 LYS 26 0.251 8.538 -10.465 167 HZ1 LYS 26 HZ1 LYS 26 1.573 6.012 -9.730 168 HZ2 LYS 26 HZ2 LYS 26 1.164 6.489 -11.244 169 HZ3 LYS 26 HZ3 LYS 26 2.327 7.304 -10.423 170 H CYS 27 H CYS 27 0.547 8.082 -3.129 171 HA CYS 27 HA CYS 27 0.899 10.563 -1.679 172 HB2 CYS 27 HB2 CYS 27 0.922 9.116 0.288 173 HB3 CYS 27 HB3 CYS 27 -0.375 8.606 -0.811 174 HG CYS 27 HG CYS 27 0.956 6.684 -1.962 175 H ASP 28 H ASP 28 2.747 10.387 0.193 176 HA ASP 28 HA ASP 28 5.250 10.500 -1.268 177 HB2 ASP 28 HB2 ASP 28 4.481 12.042 0.581 178 HB3 ASP 28 HB3 ASP 28 4.774 10.729 1.725 179 HA PRO 29 HA PRO 29 6.587 6.347 -0.724 180 HB2 PRO 29 HB2 PRO 29 9.223 7.572 0.127 181 HB3 PRO 29 HB3 PRO 29 8.941 6.234 -1.014 182 HG2 PRO 29 HG2 PRO 29 9.447 8.718 -1.984 183 HG3 PRO 29 HG3 PRO 29 8.023 7.836 -2.651 184 HD2 PRO 29 HD2 PRO 29 8.090 9.843 -0.367 185 HD3 PRO 29 HD3 PRO 29 7.042 9.904 -1.814 186 H LYS 30 H LYS 30 7.309 8.736 1.780 187 HA LYS 30 HA LYS 30 8.166 6.920 3.781 188 HB2 LYS 30 HB2 LYS 30 7.180 9.767 3.728 189 HB3 LYS 30 HB3 LYS 30 7.785 8.961 5.214 190 HG2 LYS 30 HG2 LYS 30 9.888 8.370 3.943 191 HG3 LYS 30 HG3 LYS 30 9.293 9.367 2.586 192 HD2 LYS 30 HD2 LYS 30 9.110 11.300 4.109 193 HD3 LYS 30 HD3 LYS 30 9.638 10.256 5.454 194 HE2 LYS 30 HE2 LYS 30 11.534 11.608 4.672 195 HE3 LYS 30 HE3 LYS 30 11.818 9.900 4.297 196 HZ1 LYS 30 HZ1 LYS 30 12.346 11.336 2.451 197 HZ2 LYS 30 HZ2 LYS 30 11.100 10.346 2.050 198 HZ3 LYS 30 HZ3 LYS 30 10.813 11.926 2.406 199 H VAL 31 H VAL 31 5.013 7.803 2.556 200 HA VAL 31 HA VAL 31 3.565 7.055 4.995 201 HB VAL 31 HB VAL 31 2.634 7.659 2.157 202 HG11 VAL 31 HG11 VAL 31 0.408 7.962 3.222 203 HG12 VAL 31 HG12 VAL 31 0.963 6.281 3.299 204 HG13 VAL 31 HG13 VAL 31 1.058 7.325 4.744 205 HG21 VAL 31 HG21 VAL 31 3.688 9.580 3.312 206 HG22 VAL 31 HG22 VAL 31 1.931 9.811 3.157 207 HG23 VAL 31 HG23 VAL 31 2.626 9.322 4.717 208 H SER 32 H SER 32 4.674 5.519 1.979 209 HA SER 32 HA SER 32 2.974 3.213 2.148 210 HB2 SER 32 HB2 SER 32 4.133 3.778 0.098 211 HB3 SER 32 HB3 SER 32 5.707 3.701 0.883 212 HG SER 32 HG SER 32 5.168 1.767 -0.249 213 H ARG 33 H ARG 33 6.142 4.039 3.442 214 HA ARG 33 HA ARG 33 6.988 1.547 4.455 215 HB2 ARG 33 HB2 ARG 33 8.376 3.593 4.416 216 HB3 ARG 33 HB3 ARG 33 7.298 4.366 5.587 217 HG2 ARG 33 HG2 ARG 33 7.929 2.649 7.294 218 HG3 ARG 33 HG3 ARG 33 9.014 1.897 6.110 219 HD2 ARG 33 HD2 ARG 33 10.275 3.367 7.597 220 HD3 ARG 33 HD3 ARG 33 10.291 4.010 5.941 221 HE ARG 33 HE ARG 33 8.119 5.132 7.465 222 HH11 ARG 33 HH11 ARG 33 11.622 5.333 7.042 223 HH12 ARG 33 HH12 ARG 33 11.707 6.993 7.590 224 HH21 ARG 33 HH21 ARG 33 8.262 7.296 8.172 225 HH22 ARG 33 HH22 ARG 33 9.814 8.100 8.217 226 H LYS 34 H LYS 34 4.560 3.769 5.808 227 HA LYS 34 HA LYS 34 4.433 2.178 8.269 228 HB2 LYS 34 HB2 LYS 34 3.348 3.926 9.167 229 HB3 LYS 34 HB3 LYS 34 4.030 4.787 7.776 230 HG2 LYS 34 HG2 LYS 34 1.897 4.417 6.533 231 HG3 LYS 34 HG3 LYS 34 1.220 3.646 7.988 232 HD2 LYS 34 HD2 LYS 34 1.536 5.709 9.268 233 HD3 LYS 34 HD3 LYS 34 2.319 6.489 7.880 234 HE2 LYS 34 HE2 LYS 34 0.259 6.267 6.556 235 HE3 LYS 34 HE3 LYS 34 -0.527 5.409 7.888 236 HZ1 LYS 34 HZ1 LYS 34 0.434 8.193 7.985 237 HZ2 LYS 34 HZ2 LYS 34 -1.136 7.719 7.862 238 HZ3 LYS 34 HZ3 LYS 34 -0.281 7.399 9.228 239 H TYR 35 H TYR 35 2.706 2.437 5.194 240 HA TYR 35 HA TYR 35 0.500 0.832 6.210 241 HB2 TYR 35 HB2 TYR 35 1.146 2.153 3.588 242 HB3 TYR 35 HB3 TYR 35 -0.037 0.843 3.624 243 HD1 TYR 35 HD1 TYR 35 -1.983 0.948 5.221 244 HD2 TYR 35 HD2 TYR 35 0.451 4.354 4.242 245 HE1 TYR 35 HE1 TYR 35 -3.757 2.458 6.083 246 HE2 TYR 35 HE2 TYR 35 -1.319 5.870 5.107 247 HH TYR 35 HH TYR 35 -4.352 4.622 6.542 248 H LEU 36 H LEU 36 3.631 0.124 5.064 249 HA LEU 36 HA LEU 36 2.837 -2.631 4.274 250 HB2 LEU 36 HB2 LEU 36 5.406 -1.005 4.212 251 HB3 LEU 36 HB3 LEU 36 5.395 -2.743 3.886 252 HG LEU 36 HG LEU 36 3.595 -0.844 2.340 253 HD11 LEU 36 HD11 LEU 36 5.930 -0.085 2.070 254 HD12 LEU 36 HD12 LEU 36 6.422 -1.744 1.649 255 HD13 LEU 36 HD13 LEU 36 5.319 -0.842 0.580 256 HD21 LEU 36 HD21 LEU 36 4.831 -3.550 1.648 257 HD22 LEU 36 HD22 LEU 36 3.196 -3.358 2.311 258 HD23 LEU 36 HD23 LEU 36 3.601 -2.673 0.717 259 H GLN 37 H GLN 37 3.703 -0.795 6.994 260 HA GLN 37 HA GLN 37 5.164 -2.928 8.363 261 HB2 GLN 37 HB2 GLN 37 4.935 -0.055 8.529 262 HB3 GLN 37 HB3 GLN 37 4.660 -0.772 10.136 263 HG2 GLN 37 HG2 GLN 37 6.773 -1.890 10.088 264 HG3 GLN 37 HG3 GLN 37 6.883 -1.742 8.336 265 HE21 GLN 37 HE22 GLN 37 9.095 -1.038 8.972 266 HE22 GLN 37 HE21 GLN 37 9.323 0.686 9.113 267 H ARG 38 H ARG 38 1.967 -2.511 7.760 268 HA ARG 38 HA ARG 38 1.216 -3.822 10.337 269 HB2 ARG 38 HB2 ARG 38 -0.953 -2.621 8.731 270 HB3 ARG 38 HB3 ARG 38 -0.720 -2.601 10.473 271 HG2 ARG 38 HG2 ARG 38 0.674 -0.795 8.456 272 HG3 ARG 38 HG3 ARG 38 -0.737 -0.358 9.418 273 HD2 ARG 38 HD2 ARG 38 1.998 -1.052 10.567 274 HD3 ARG 38 HD3 ARG 38 1.317 0.560 10.401 275 HE ARG 38 HE ARG 38 -0.401 -0.007 12.020 276 HH11 ARG 38 HH11 ARG 38 2.300 -2.309 11.830 277 HH12 ARG 38 HH12 ARG 38 2.005 -2.940 13.429 278 HH21 ARG 38 HH21 ARG 38 -0.738 -0.868 14.096 279 HH22 ARG 38 HH22 ARG 38 0.305 -2.131 14.703 280 H ASN 39 H ASN 39 1.967 -4.463 7.225 281 HA ASN 39 HA ASN 39 -0.180 -6.466 6.863 282 HB2 ASN 39 HB2 ASN 39 0.702 -4.368 4.835 283 HB3 ASN 39 HB3 ASN 39 -0.484 -5.635 4.532 284 HD21 ASN 39 HD22 ASN 39 0.081 -2.488 5.790 285 HD22 ASN 39 HD21 ASN 39 -1.468 -2.173 6.517 286 H HIS 40 H HIS 40 2.594 -6.764 7.665 287 HA HIS 40 HA HIS 40 4.340 -8.140 7.248 288 HB2 HIS 40 HB2 HIS 40 2.610 -9.592 5.249 289 HB3 HIS 40 HB3 HIS 40 3.833 -10.255 6.334 290 HD2 HIS 40 HD2 HIS 40 2.450 -8.553 8.947 291 HE1 HIS 40 HE1 HIS 40 -0.720 -11.309 8.300 292 HE2 HIS 40 HE2 HIS 40 0.310 -9.674 9.957 293 H TRP 41 H TRP 41 4.071 -5.743 5.548 294 HA TRP 41 HA TRP 41 4.975 -4.770 3.767 295 HB2 TRP 41 HB2 TRP 41 7.104 -6.822 4.388 296 HB3 TRP 41 HB3 TRP 41 7.289 -5.602 3.145 297 HD1 TRP 41 HD1 TRP 41 6.840 -5.825 6.940 298 HE1 TRP 41 HE1 TRP 41 7.620 -3.617 7.995 299 HE3 TRP 41 HE3 TRP 41 7.893 -3.333 2.700 300 HZ2 TRP 41 HZ2 TRP 41 8.291 -0.917 7.033 301 HZ3 TRP 41 HZ3 TRP 41 8.621 -0.932 2.745 302 HH2 TRP 41 HH2 TRP 41 8.799 0.263 4.901 303 H ASN 42 H ASN 42 3.015 -6.946 3.177 304 HA ASN 42 HA ASN 42 3.791 -7.578 0.394 305 HB2 ASN 42 HB2 ASN 42 1.431 -8.237 2.201 306 HB3 ASN 42 HB3 ASN 42 1.316 -8.395 0.457 307 HD21 ASN 42 HD22 ASN 42 0.890 -10.680 1.076 308 HD22 ASN 42 HD21 ASN 42 2.282 -11.740 1.151 309 H ILE 43 H ILE 43 3.381 -6.155 -1.234 310 HA ILE 43 HA ILE 43 1.848 -3.767 -0.707 311 HB ILE 43 HB ILE 43 3.219 -5.011 -3.084 312 HG12 ILE 43 HG12 ILE 43 4.314 -3.499 -1.339 313 HG13 ILE 43 HG13 ILE 43 4.492 -2.905 -3.010 314 HG21 ILE 43 HG21 ILE 43 1.226 -2.713 -3.304 315 HG22 ILE 43 HG22 ILE 43 2.439 -3.134 -4.537 316 HG23 ILE 43 HG23 ILE 43 1.155 -4.286 -4.122 317 HD11 ILE 43 HD11 ILE 43 2.895 -1.235 -2.724 318 HD12 ILE 43 HD12 ILE 43 2.270 -1.948 -1.212 319 HD13 ILE 43 HD13 ILE 43 3.901 -1.247 -1.247 320 H ASN 44 H ASN 44 0.968 -7.016 -1.531 321 HA ASN 44 HA ASN 44 -1.513 -6.148 -2.802 322 HB2 ASN 44 HB2 ASN 44 -0.465 -8.894 -1.992 323 HB3 ASN 44 HB3 ASN 44 -1.936 -8.628 -2.935 324 HD21 ASN 44 HD22 ASN 44 0.369 -10.162 -3.779 325 HD22 ASN 44 HD21 ASN 44 1.009 -9.369 -5.205 326 H TYR 45 H TYR 45 -0.423 -6.427 0.343 327 HA TYR 45 HA TYR 45 -3.173 -6.816 1.458 328 HB2 TYR 45 HB2 TYR 45 -0.368 -7.213 2.573 329 HB3 TYR 45 HB3 TYR 45 -1.801 -7.328 3.555 330 HD1 TYR 45 HD1 TYR 45 -3.016 -8.781 0.694 331 HD2 TYR 45 HD2 TYR 45 -0.057 -9.491 3.733 332 HE1 TYR 45 HE1 TYR 45 -3.137 -11.207 0.236 333 HE2 TYR 45 HE2 TYR 45 -0.200 -11.932 3.300 334 HH TYR 45 HH TYR 45 -2.371 -13.293 0.799 335 H ALA 46 H ALA 46 -0.494 -4.632 0.970 336 HA ALA 46 HA ALA 46 -1.189 -2.901 3.234 337 HB1 ALA 46 HB1 ALA 46 0.867 -2.812 1.009 338 HB2 ALA 46 HB2 ALA 46 0.773 -1.620 2.339 339 HB3 ALA 46 HB3 ALA 46 1.128 -3.327 2.698 340 H LEU 47 H LEU 47 -1.700 -2.983 -0.310 341 HA LEU 47 HA LEU 47 -2.341 -0.164 -0.457 342 HB2 LEU 47 HB2 LEU 47 -2.855 -2.546 -2.280 343 HB3 LEU 47 HB3 LEU 47 -3.344 -0.894 -2.693 344 HG LEU 47 HG LEU 47 -0.490 -1.716 -2.105 345 HD11 LEU 47 HD11 LEU 47 -0.195 -1.426 -4.551 346 HD12 LEU 47 HD12 LEU 47 -1.356 -2.721 -4.185 347 HD13 LEU 47 HD13 LEU 47 -1.944 -1.131 -4.722 348 HD21 LEU 47 HD21 LEU 47 -1.713 0.863 -3.187 349 HD22 LEU 47 HD22 LEU 47 -0.903 0.668 -1.616 350 HD23 LEU 47 HD23 LEU 47 0.028 0.507 -3.112 351 H ASN 48 H ASN 48 -4.160 -3.104 0.325 352 HA ASN 48 HA ASN 48 -6.772 -1.958 -0.006 353 HB2 ASN 48 HB2 ASN 48 -5.960 -4.140 1.950 354 HB3 ASN 48 HB3 ASN 48 -7.539 -3.918 1.168 355 HD21 ASN 48 HD22 ASN 48 -4.210 -4.910 0.871 356 HD22 ASN 48 HD21 ASN 48 -4.314 -5.670 -0.705 357 H ASP 49 H ASP 49 -4.419 -2.137 2.622 358 HA ASP 49 HA ASP 49 -6.067 -1.011 4.690 359 HB2 ASP 49 HB2 ASP 49 -3.795 -2.277 4.788 360 HB3 ASP 49 HB3 ASP 49 -3.046 -0.739 4.387 361 H TYR 50 H TYR 50 -4.232 0.356 2.042 362 HA TYR 50 HA TYR 50 -4.500 3.105 3.016 363 HB2 TYR 50 HB2 TYR 50 -2.560 2.326 1.714 364 HB3 TYR 50 HB3 TYR 50 -3.598 1.963 0.341 365 HD1 TYR 50 HD2 TYR 50 -2.120 4.684 2.365 366 HD2 TYR 50 HD1 TYR 50 -4.463 3.685 -1.099 367 HE1 TYR 50 HE2 TYR 50 -1.866 7.011 1.528 368 HE2 TYR 50 HE1 TYR 50 -4.218 6.001 -1.948 369 HH TYR 50 HH TYR 50 -3.343 8.087 -1.560 370 H TYR 51 H TYR 51 -6.110 0.924 0.709 371 HA TYR 51 HA TYR 51 -7.865 2.989 -0.328 372 HB2 TYR 51 HB2 TYR 51 -8.026 -0.041 -0.481 373 HB3 TYR 51 HB3 TYR 51 -9.032 1.083 -1.402 374 HD1 TYR 51 HD2 TYR 51 -6.973 3.156 -2.100 375 HD2 TYR 51 HD1 TYR 51 -6.822 -1.141 -2.212 376 HE1 TYR 51 HE2 TYR 51 -5.259 3.278 -3.875 377 HE2 TYR 51 HE1 TYR 51 -5.108 -1.034 -4.004 378 HH TYR 51 HH TYR 51 -3.859 0.323 -5.370 379 H ASP 52 H ASP 52 -7.765 1.293 2.616 380 HA ASP 52 HA ASP 52 -10.679 1.456 3.077 381 HB2 ASP 52 HB2 ASP 52 -8.283 0.434 4.648 382 HB3 ASP 52 HB3 ASP 52 -9.897 0.520 5.323 383 H LYS 53 H LYS 53 -7.678 3.188 3.726 384 HA LYS 53 HA LYS 53 -9.087 4.816 5.808 385 HB2 LYS 53 HB2 LYS 53 -6.237 3.816 5.725 386 HB3 LYS 53 HB3 LYS 53 -6.901 4.907 6.956 387 HG2 LYS 53 HG2 LYS 53 -8.536 3.239 7.655 388 HG3 LYS 53 HG3 LYS 53 -8.021 2.132 6.358 389 HD2 LYS 53 HD2 LYS 53 -5.754 2.078 7.286 390 HD3 LYS 53 HD3 LYS 53 -6.275 3.137 8.625 391 HE2 LYS 53 HE2 LYS 53 -7.821 1.465 9.435 392 HE3 LYS 53 HE3 LYS 53 -7.600 0.468 7.984 393 HZ1 LYS 53 HZ1 LYS 53 -5.365 0.074 8.620 394 HZ2 LYS 53 HZ2 LYS 53 -5.489 1.043 9.945 395 HZ3 LYS 53 HZ3 LYS 53 -6.347 -0.362 9.861 396 H GLU 54 H GLU 54 -7.464 5.020 2.769 397 HA GLU 54 HA GLU 54 -7.185 7.956 3.149 398 HB2 GLU 54 HB2 GLU 54 -5.074 6.094 1.997 399 HB3 GLU 54 HB3 GLU 54 -5.000 7.859 1.915 400 HG2 GLU 54 HG2 GLU 54 -5.047 6.236 4.484 401 HG3 GLU 54 HG3 GLU 54 -3.607 6.939 3.743 402 H ILE 55 H ILE 55 -8.896 5.774 1.524 403 HA ILE 55 HA ILE 55 -8.205 6.212 -1.179 404 HB ILE 55 HB ILE 55 -9.560 4.348 -0.335 405 HG12 ILE 55 HG12 ILE 55 -10.993 6.023 -2.422 406 HG13 ILE 55 HG13 ILE 55 -9.547 5.039 -2.718 407 HG21 ILE 55 HG21 ILE 55 -11.817 6.391 -0.070 408 HG22 ILE 55 HG22 ILE 55 -11.929 4.645 0.214 409 HG23 ILE 55 HG23 ILE 55 -10.943 5.643 1.290 410 HD11 ILE 55 HD11 ILE 55 -12.262 3.989 -1.798 411 HD12 ILE 55 HD12 ILE 55 -11.531 3.796 -3.403 412 HD13 ILE 55 HD13 ILE 55 -10.789 3.008 -1.993 413 H GLY 56 H GLY 56 -9.093 7.590 -2.780 414 HA2 GLY 56 HA2 GLY 56 -9.576 10.264 -1.767 415 HA3 GLY 56 HA3 GLY 56 -9.412 9.764 -3.460 416 H THR 57 H THR 57 -11.715 7.676 -2.631 417 HA THR 57 HA THR 57 -14.005 9.476 -2.409 418 HB THR 57 HB THR 57 -13.426 9.677 -4.810 419 HG1 THR 57 HG1 THR 57 -15.491 9.053 -5.537 420 HG21 THR 57 HG21 THR 57 -13.977 6.676 -4.913 421 HG22 THR 57 HG22 THR 57 -13.664 7.743 -6.302 422 HG23 THR 57 HG23 THR 57 -12.381 7.434 -5.119 423 H PHE 58 H PHE 58 -16.076 8.237 -2.454 424 HA PHE 58 HA PHE 58 -15.708 5.416 -1.578 425 HB2 PHE 58 HB2 PHE 58 -17.537 7.556 -0.445 426 HB3 PHE 58 HB3 PHE 58 -17.531 5.848 0.028 427 HD1 PHE 58 HD2 PHE 58 -15.570 4.866 1.165 428 HD2 PHE 58 HD1 PHE 58 -15.802 9.060 0.281 429 HE1 PHE 58 HE2 PHE 58 -13.703 5.288 2.727 430 HE2 PHE 58 HE1 PHE 58 -13.946 9.506 1.873 431 HZ PHE 58 HZ PHE 58 -12.885 7.616 3.094 432 H THR 59 H THR 59 -16.744 7.228 -4.026 433 HA THR 59 HA THR 59 -18.883 5.328 -4.795 434 HB THR 59 HB THR 59 -20.015 7.234 -3.730 435 HG1 THR 59 HG1 THR 59 -21.373 7.632 -5.495 436 HG21 THR 59 HG21 THR 59 -18.774 8.880 -5.981 437 HG22 THR 59 HG22 THR 59 -19.985 9.448 -4.811 438 HG23 THR 59 HG23 THR 59 -18.359 9.016 -4.256 439 H ASP 60 H ASP 60 -19.449 5.546 -7.137 440 HA ASP 60 HA ASP 60 -17.318 6.738 -8.788 441 HB2 ASP 60 HB2 ASP 60 -16.855 4.647 -9.946 442 HB3 ASP 60 HB3 ASP 60 -16.518 4.460 -8.221 443 H GLU 61 H GLU 61 -17.798 6.698 -11.090 444 HA GLU 61 HA GLU 61 -20.628 6.262 -11.758 445 HB2 GLU 61 HB2 GLU 61 -20.444 8.591 -10.912 446 HB3 GLU 61 HB3 GLU 61 -19.215 8.936 -12.144 447 HG2 GLU 61 HG2 GLU 61 -20.851 8.491 -13.917 448 HG3 GLU 61 HG3 GLU 61 -22.065 8.021 -12.713 449 H VAL 62 H VAL 62 -21.010 6.069 -14.026 450 HA VAL 62 HA VAL 62 -18.626 6.005 -15.794 451 HB VAL 62 HB VAL 62 -20.657 3.751 -15.505 452 HG11 VAL 62 HG11 VAL 62 -18.220 4.085 -17.308 453 HG12 VAL 62 HG12 VAL 62 -19.203 2.611 -17.167 454 HG13 VAL 62 HG13 VAL 62 -19.921 4.085 -17.836 455 HG21 VAL 62 HG21 VAL 62 -19.009 3.726 -13.670 456 HG22 VAL 62 HG22 VAL 62 -18.676 2.414 -14.817 457 HG23 VAL 62 HG23 VAL 62 -17.683 3.889 -14.846 Start of MODEL 18 1 HA ILE 6 HA ILE 6 18.657 0.643 -13.703 2 HB ILE 6 HB ILE 6 16.629 0.860 -12.336 3 HG12 ILE 6 HG12 ILE 6 16.996 -2.107 -11.732 4 HG13 ILE 6 HG13 ILE 6 17.251 -0.789 -10.576 5 HG21 ILE 6 HG21 ILE 6 16.527 -1.588 -14.135 6 HG22 ILE 6 HG22 ILE 6 15.186 -0.488 -13.747 7 HG23 ILE 6 HG23 ILE 6 16.557 0.096 -14.709 8 HD11 ILE 6 HD11 ILE 6 14.621 -1.501 -11.937 9 HD12 ILE 6 HD12 ILE 6 15.043 -1.744 -10.232 10 HD13 ILE 6 HD13 ILE 6 14.872 -0.092 -10.871 11 H LYS 7 H LYS 7 17.948 2.012 -11.458 12 HA LYS 7 HA LYS 7 20.467 2.407 -10.188 13 HB2 LYS 7 HB2 LYS 7 19.209 4.127 -8.876 14 HB3 LYS 7 HB3 LYS 7 19.074 4.264 -10.631 15 HG2 LYS 7 HG2 LYS 7 16.922 4.689 -9.541 16 HG3 LYS 7 HG3 LYS 7 16.840 3.284 -10.604 17 HD2 LYS 7 HD2 LYS 7 16.931 1.764 -8.698 18 HD3 LYS 7 HD3 LYS 7 17.208 3.117 -7.582 19 HE2 LYS 7 HE2 LYS 7 14.722 2.748 -9.305 20 HE3 LYS 7 HE3 LYS 7 14.863 2.254 -7.610 21 HZ1 LYS 7 HZ1 LYS 7 15.067 5.010 -8.623 22 HZ2 LYS 7 HZ2 LYS 7 13.852 4.360 -7.711 23 HZ3 LYS 7 HZ3 LYS 7 15.337 4.563 -7.066 24 H ARG 8 H ARG 8 19.012 -0.270 -9.658 25 HA ARG 8 HA ARG 8 18.317 -0.221 -6.868 26 HB2 ARG 8 HB2 ARG 8 18.076 -2.651 -7.128 27 HB3 ARG 8 HB3 ARG 8 17.265 -1.773 -8.446 28 HG2 ARG 8 HG2 ARG 8 19.219 -2.145 -9.892 29 HG3 ARG 8 HG3 ARG 8 19.965 -3.110 -8.593 30 HD2 ARG 8 HD2 ARG 8 18.158 -4.729 -8.690 31 HD3 ARG 8 HD3 ARG 8 17.242 -3.714 -9.821 32 HE ARG 8 HE ARG 8 19.709 -4.180 -11.058 33 HH11 ARG 8 HH11 ARG 8 17.012 -6.148 -9.907 34 HH12 ARG 8 HH12 ARG 8 17.254 -7.393 -11.109 35 HH21 ARG 8 HH21 ARG 8 20.001 -5.795 -12.613 36 HH22 ARG 8 HH22 ARG 8 18.964 -7.205 -12.629 37 H LYS 9 H LYS 9 21.304 0.214 -8.087 38 HA LYS 9 HA LYS 9 22.811 -1.608 -6.419 39 HB2 LYS 9 HB2 LYS 9 24.745 -0.342 -7.100 40 HB3 LYS 9 HB3 LYS 9 23.721 -0.753 -8.485 41 HG2 LYS 9 HG2 LYS 9 22.763 1.536 -8.473 42 HG3 LYS 9 HG3 LYS 9 23.790 1.952 -7.065 43 HD2 LYS 9 HD2 LYS 9 25.791 1.348 -8.352 44 HD3 LYS 9 HD3 LYS 9 24.780 0.942 -9.754 45 HE2 LYS 9 HE2 LYS 9 23.959 3.286 -9.842 46 HE3 LYS 9 HE3 LYS 9 24.956 3.692 -8.436 47 HZ1 LYS 9 HZ1 LYS 9 25.978 2.760 -11.036 48 HZ2 LYS 9 HZ2 LYS 9 26.030 4.308 -10.485 49 HZ3 LYS 9 HZ3 LYS 9 26.895 3.134 -9.723 50 H ASP 10 H ASP 10 20.733 0.539 -5.424 51 HA ASP 10 HA ASP 10 22.207 1.020 -2.928 52 HB2 ASP 10 HB2 ASP 10 22.392 3.033 -4.473 53 HB3 ASP 10 HB3 ASP 10 20.643 3.217 -4.361 54 H ALA 11 H ALA 11 19.938 -0.661 -4.068 55 HA ALA 11 HA ALA 11 17.491 0.412 -2.943 56 HB1 ALA 11 HB1 ALA 11 18.180 -2.259 -4.213 57 HB2 ALA 11 HB2 ALA 11 16.533 -1.676 -3.851 58 HB3 ALA 11 HB3 ALA 11 17.544 -0.818 -5.039 59 H SER 12 H SER 12 16.074 -1.074 -1.624 60 HA SER 12 HA SER 12 17.503 -2.689 0.388 61 HB2 SER 12 HB2 SER 12 17.011 -1.337 2.182 62 HB3 SER 12 HB3 SER 12 17.132 -0.081 0.942 63 HG SER 12 HG SER 12 15.216 -0.023 2.273 64 HA PRO 13 HA PRO 13 13.912 -5.184 0.107 65 HB2 PRO 13 HB2 PRO 13 13.145 -5.827 2.645 66 HB3 PRO 13 HB3 PRO 13 14.762 -6.327 2.020 67 HG2 PRO 13 HG2 PRO 13 14.112 -3.811 3.618 68 HG3 PRO 13 HG3 PRO 13 15.306 -5.097 4.048 69 HD2 PRO 13 HD2 PRO 13 16.114 -2.907 2.729 70 HD3 PRO 13 HD3 PRO 13 16.685 -4.511 2.158 71 H GLU 14 H GLU 14 13.661 -2.427 2.268 72 HA GLU 14 HA GLU 14 10.754 -2.290 2.224 73 HB2 GLU 14 HB2 GLU 14 12.962 -0.347 3.029 74 HB3 GLU 14 HB3 GLU 14 11.226 -0.033 3.238 75 HG2 GLU 14 HG2 GLU 14 10.994 -1.983 4.698 76 HG3 GLU 14 HG3 GLU 14 12.699 -2.376 4.463 77 H GLN 15 H GLN 15 13.505 -0.914 0.404 78 HA GLN 15 HA GLN 15 11.953 1.035 -1.016 79 HB2 GLN 15 HB2 GLN 15 14.687 0.195 -0.791 80 HB3 GLN 15 HB3 GLN 15 14.287 0.102 -2.504 81 HG2 GLN 15 HG2 GLN 15 15.097 2.366 -1.815 82 HG3 GLN 15 HG3 GLN 15 13.430 2.384 -2.463 83 HE21 GLN 15 HE22 GLN 15 14.614 1.287 0.739 84 HE22 GLN 15 HE21 GLN 15 13.579 2.338 1.679 85 H GLU 16 H GLU 16 12.510 -2.352 -1.410 86 HA GLU 16 HA GLU 16 11.758 -2.375 -4.214 87 HB2 GLU 16 HB2 GLU 16 12.077 -4.589 -2.143 88 HB3 GLU 16 HB3 GLU 16 11.564 -4.909 -3.813 89 HG2 GLU 16 HG2 GLU 16 13.582 -3.737 -4.635 90 HG3 GLU 16 HG3 GLU 16 14.166 -3.567 -2.981 91 H ALA 17 H ALA 17 9.987 -2.312 -1.267 92 HA ALA 17 HA ALA 17 7.505 -2.916 -2.818 93 HB1 ALA 17 HB1 ALA 17 7.937 -2.961 0.188 94 HB2 ALA 17 HB2 ALA 17 6.409 -3.303 -0.657 95 HB3 ALA 17 HB3 ALA 17 7.805 -4.376 -0.889 96 H ILE 18 H ILE 18 9.270 -0.364 -1.161 97 HA ILE 18 HA ILE 18 6.939 1.333 -0.798 98 HB ILE 18 HB ILE 18 9.929 1.754 -0.669 99 HG12 ILE 18 HG12 ILE 18 7.764 2.130 1.447 100 HG13 ILE 18 HG13 ILE 18 8.537 0.571 1.160 101 HG21 ILE 18 HG21 ILE 18 9.009 3.843 -1.563 102 HG22 ILE 18 HG22 ILE 18 7.745 3.848 -0.315 103 HG23 ILE 18 HG23 ILE 18 9.455 4.066 0.131 104 HD11 ILE 18 HD11 ILE 18 9.953 3.144 2.005 105 HD12 ILE 18 HD12 ILE 18 9.680 1.695 2.991 106 HD13 ILE 18 HD13 ILE 18 10.772 1.612 1.603 107 H GLU 19 H GLU 19 9.412 0.882 -3.407 108 HA GLU 19 HA GLU 19 8.524 3.314 -4.713 109 HB2 GLU 19 HB2 GLU 19 10.268 1.011 -5.657 110 HB3 GLU 19 HB3 GLU 19 9.889 2.445 -6.630 111 HG2 GLU 19 HG2 GLU 19 10.762 3.885 -4.762 112 HG3 GLU 19 HG3 GLU 19 11.313 2.421 -3.937 113 H SER 20 H SER 20 7.569 -0.133 -4.942 114 HA SER 20 HA SER 20 5.985 0.372 -7.348 115 HB2 SER 20 HB2 SER 20 6.403 -2.014 -5.504 116 HB3 SER 20 HB3 SER 20 5.365 -2.035 -6.944 117 HG SER 20 HG SER 20 7.514 -2.755 -7.374 118 H PHE 21 H PHE 21 5.528 0.509 -3.877 119 HA PHE 21 HA PHE 21 2.625 0.240 -3.989 120 HB2 PHE 21 HB2 PHE 21 3.968 -0.285 -1.983 121 HB3 PHE 21 HB3 PHE 21 4.549 1.333 -1.890 122 HD1 PHE 21 HD2 PHE 21 2.730 3.246 -1.586 123 HD2 PHE 21 HD1 PHE 21 2.000 -0.927 -0.842 124 HE1 PHE 21 HE2 PHE 21 0.817 3.840 -0.139 125 HE2 PHE 21 HE1 PHE 21 0.076 -0.324 0.598 126 HZ PHE 21 HZ PHE 21 -0.510 2.054 0.964 127 H THR 22 H THR 22 4.996 2.857 -3.677 128 HA THR 22 HA THR 22 3.103 5.034 -3.862 129 HB THR 22 HB THR 22 5.981 5.198 -4.762 130 HG1 THR 22 HG1 THR 22 6.136 4.135 -2.820 131 HG21 THR 22 HG21 THR 22 4.681 7.264 -4.905 132 HG22 THR 22 HG22 THR 22 4.130 7.064 -3.226 133 HG23 THR 22 HG23 THR 22 5.839 7.399 -3.567 134 H SER 23 H SER 23 4.324 2.815 -6.228 135 HA SER 23 HA SER 23 4.072 4.644 -8.464 136 HB2 SER 23 HB2 SER 23 4.191 1.638 -8.232 137 HB3 SER 23 HB3 SER 23 4.060 2.469 -9.790 138 HG SER 23 HG SER 23 6.159 2.762 -7.910 139 H LEU 24 H LEU 24 1.948 2.695 -6.508 140 HA LEU 24 HA LEU 24 -0.261 2.860 -8.498 141 HB2 LEU 24 HB2 LEU 24 0.238 1.087 -6.074 142 HB3 LEU 24 HB3 LEU 24 -1.264 1.107 -7.009 143 HG LEU 24 HG LEU 24 1.495 0.461 -8.162 144 HD11 LEU 24 HD11 LEU 24 -0.816 -1.366 -7.385 145 HD12 LEU 24 HD12 LEU 24 0.669 -1.868 -8.233 146 HD13 LEU 24 HD13 LEU 24 0.766 -1.255 -6.573 147 HD21 LEU 24 HD21 LEU 24 0.172 -0.402 -10.085 148 HD22 LEU 24 HD22 LEU 24 -1.314 0.205 -9.324 149 HD23 LEU 24 HD23 LEU 24 -0.056 1.346 -9.864 150 H THR 25 H THR 25 0.901 4.091 -5.473 151 HA THR 25 HA THR 25 -1.617 5.639 -5.291 152 HB THR 25 HB THR 25 -1.363 5.696 -2.818 153 HG1 THR 25 HG1 THR 25 0.584 3.697 -3.321 154 HG21 THR 25 HG21 THR 25 -2.920 4.102 -3.831 155 HG22 THR 25 HG22 THR 25 -1.611 2.909 -4.020 156 HG23 THR 25 HG23 THR 25 -2.151 3.392 -2.394 157 H LYS 26 H LYS 26 -1.246 7.828 -5.279 158 HA LYS 26 HA LYS 26 1.552 8.545 -5.775 159 HB2 LYS 26 HB2 LYS 26 -0.918 10.258 -6.109 160 HB3 LYS 26 HB3 LYS 26 0.707 10.561 -6.760 161 HG2 LYS 26 HG2 LYS 26 -1.232 8.357 -7.553 162 HG3 LYS 26 HG3 LYS 26 -0.670 9.711 -8.535 163 HD2 LYS 26 HD2 LYS 26 1.674 8.744 -8.415 164 HD3 LYS 26 HD3 LYS 26 0.983 7.333 -7.586 165 HE2 LYS 26 HE2 LYS 26 -0.533 6.949 -9.508 166 HE3 LYS 26 HE3 LYS 26 0.156 8.356 -10.332 167 HZ1 LYS 26 HZ1 LYS 26 1.155 6.350 -11.106 168 HZ2 LYS 26 HZ2 LYS 26 2.287 7.228 -10.296 169 HZ3 LYS 26 HZ3 LYS 26 1.606 5.906 -9.593 170 H CYS 27 H CYS 27 0.579 8.006 -3.000 171 HA CYS 27 HA CYS 27 0.794 10.576 -1.647 172 HB2 CYS 27 HB2 CYS 27 -0.489 8.533 -0.844 173 HB3 CYS 27 HB3 CYS 27 1.072 7.777 -0.473 174 HG CYS 27 HG CYS 27 -0.149 10.670 0.580 175 H ASP 28 H ASP 28 2.580 10.191 0.382 176 HA ASP 28 HA ASP 28 5.126 10.481 -0.993 177 HB2 ASP 28 HB2 ASP 28 4.264 10.612 1.913 178 HB3 ASP 28 HB3 ASP 28 5.907 10.944 1.348 179 HA PRO 29 HA PRO 29 6.581 6.315 -0.548 180 HB2 PRO 29 HB2 PRO 29 9.147 7.669 0.315 181 HB3 PRO 29 HB3 PRO 29 8.938 6.345 -0.854 182 HG2 PRO 29 HG2 PRO 29 9.326 8.874 -1.741 183 HG3 PRO 29 HG3 PRO 29 7.978 7.928 -2.470 184 HD2 PRO 29 HD2 PRO 29 7.845 9.931 -0.184 185 HD3 PRO 29 HD3 PRO 29 6.832 9.875 -1.659 186 H LYS 30 H LYS 30 7.131 8.726 1.949 187 HA LYS 30 HA LYS 30 8.105 6.921 3.943 188 HB2 LYS 30 HB2 LYS 30 7.149 9.787 3.812 189 HB3 LYS 30 HB3 LYS 30 7.388 9.034 5.408 190 HG2 LYS 30 HG2 LYS 30 9.356 10.228 4.828 191 HG3 LYS 30 HG3 LYS 30 9.694 8.491 4.875 192 HD2 LYS 30 HD2 LYS 30 9.696 8.374 2.435 193 HD3 LYS 30 HD3 LYS 30 9.204 10.096 2.330 194 HE2 LYS 30 HE2 LYS 30 11.198 10.732 3.609 195 HE3 LYS 30 HE3 LYS 30 11.702 9.035 3.694 196 HZ1 LYS 30 HZ1 LYS 30 12.831 10.210 1.927 197 HZ2 LYS 30 HZ2 LYS 30 11.875 9.034 1.290 198 HZ3 LYS 30 HZ3 LYS 30 11.405 10.609 1.214 199 H VAL 31 H VAL 31 4.959 7.624 2.707 200 HA VAL 31 HA VAL 31 3.569 6.630 5.123 201 HB VAL 31 HB VAL 31 2.534 7.615 2.435 202 HG11 VAL 31 HG11 VAL 31 0.952 6.038 3.444 203 HG12 VAL 31 HG12 VAL 31 1.073 6.884 5.008 204 HG13 VAL 31 HG13 VAL 31 0.338 7.691 3.604 205 HG21 VAL 31 HG21 VAL 31 3.581 9.392 3.794 206 HG22 VAL 31 HG22 VAL 31 1.816 9.580 3.759 207 HG23 VAL 31 HG23 VAL 31 2.604 8.902 5.202 208 H SER 32 H SER 32 4.682 5.575 1.912 209 HA SER 32 HA SER 32 3.098 3.184 1.813 210 HB2 SER 32 HB2 SER 32 5.868 3.531 0.625 211 HB3 SER 32 HB3 SER 32 4.537 2.543 0.023 212 HG SER 32 HG SER 32 4.825 4.578 -1.090 213 H ARG 33 H ARG 33 6.208 4.080 3.276 214 HA ARG 33 HA ARG 33 7.015 1.471 4.168 215 HB2 ARG 33 HB2 ARG 33 8.534 3.407 4.026 216 HB3 ARG 33 HB3 ARG 33 7.509 4.326 5.128 217 HG2 ARG 33 HG2 ARG 33 8.053 2.759 6.974 218 HG3 ARG 33 HG3 ARG 33 9.085 1.821 5.866 219 HD2 ARG 33 HD2 ARG 33 10.464 3.335 7.177 220 HD3 ARG 33 HD3 ARG 33 10.465 3.863 5.483 221 HE ARG 33 HE ARG 33 8.374 5.217 6.866 222 HH11 ARG 33 HH11 ARG 33 11.904 5.103 6.745 223 HH12 ARG 33 HH12 ARG 33 12.090 6.770 7.241 224 HH21 ARG 33 HH21 ARG 33 8.649 7.375 7.548 225 HH22 ARG 33 HH22 ARG 33 10.254 8.047 7.702 226 H LYS 34 H LYS 34 4.691 3.800 5.323 227 HA LYS 34 HA LYS 34 4.532 2.627 8.008 228 HB2 LYS 34 HB2 LYS 34 4.460 5.022 7.775 229 HB3 LYS 34 HB3 LYS 34 3.194 4.930 6.543 230 HG2 LYS 34 HG2 LYS 34 1.575 4.135 8.190 231 HG3 LYS 34 HG3 LYS 34 2.831 4.151 9.455 232 HD2 LYS 34 HD2 LYS 34 3.094 6.560 9.232 233 HD3 LYS 34 HD3 LYS 34 2.073 6.587 7.785 234 HE2 LYS 34 HE2 LYS 34 0.811 7.387 9.724 235 HE3 LYS 34 HE3 LYS 34 0.133 5.882 9.079 236 HZ1 LYS 34 HZ1 LYS 34 1.264 4.699 10.845 237 HZ2 LYS 34 HZ2 LYS 34 1.906 6.097 11.428 238 HZ3 LYS 34 HZ3 LYS 34 0.284 5.849 11.482 239 H TYR 35 H TYR 35 2.862 2.359 4.930 240 HA TYR 35 HA TYR 35 0.703 0.780 6.229 241 HB2 TYR 35 HB2 TYR 35 0.998 2.140 3.554 242 HB3 TYR 35 HB3 TYR 35 -0.103 0.779 3.728 243 HD1 TYR 35 HD2 TYR 35 0.556 4.242 4.846 244 HD2 TYR 35 HD1 TYR 35 -2.138 0.895 4.961 245 HE1 TYR 35 HE2 TYR 35 -1.220 5.711 5.772 246 HE2 TYR 35 HE1 TYR 35 -3.912 2.344 5.912 247 HH TYR 35 HH TYR 35 -4.467 4.453 6.624 248 H LEU 36 H LEU 36 3.789 0.191 5.106 249 HA LEU 36 HA LEU 36 3.007 -2.583 4.319 250 HB2 LEU 36 HB2 LEU 36 5.545 -0.934 4.015 251 HB3 LEU 36 HB3 LEU 36 5.513 -2.682 3.733 252 HG LEU 36 HG LEU 36 3.634 -0.789 2.272 253 HD11 LEU 36 HD11 LEU 36 6.347 -1.860 1.391 254 HD12 LEU 36 HD12 LEU 36 5.208 -0.935 0.379 255 HD13 LEU 36 HD13 LEU 36 5.988 -0.166 1.782 256 HD21 LEU 36 HD21 LEU 36 3.471 -2.658 0.704 257 HD22 LEU 36 HD22 LEU 36 4.659 -3.591 1.645 258 HD23 LEU 36 HD23 LEU 36 3.066 -3.231 2.341 259 H GLN 37 H GLN 37 3.841 -0.698 6.950 260 HA GLN 37 HA GLN 37 5.439 -2.748 8.338 261 HB2 GLN 37 HB2 GLN 37 5.155 0.137 8.413 262 HB3 GLN 37 HB3 GLN 37 4.984 -0.545 10.055 263 HG2 GLN 37 HG2 GLN 37 7.105 -1.625 9.908 264 HG3 GLN 37 HG3 GLN 37 7.123 -1.484 8.150 265 HE21 GLN 37 HE22 GLN 37 9.333 -0.707 8.599 266 HE22 GLN 37 HE21 GLN 37 9.502 1.031 8.703 267 H ARG 38 H ARG 38 2.325 -2.420 7.707 268 HA ARG 38 HA ARG 38 1.460 -3.647 10.258 269 HB2 ARG 38 HB2 ARG 38 -0.709 -2.267 9.953 270 HB3 ARG 38 HB3 ARG 38 0.727 -1.449 10.589 271 HG2 ARG 38 HG2 ARG 38 1.206 -0.554 8.305 272 HG3 ARG 38 HG3 ARG 38 -0.277 -1.326 7.720 273 HD2 ARG 38 HD2 ARG 38 -0.208 0.690 9.995 274 HD3 ARG 38 HD3 ARG 38 -0.514 1.110 8.306 275 HE ARG 38 HE ARG 38 -2.508 -0.284 8.337 276 HH11 ARG 38 HH11 ARG 38 -1.180 0.534 11.516 277 HH12 ARG 38 HH12 ARG 38 -2.695 0.238 12.341 278 HH21 ARG 38 HH21 ARG 38 -4.423 -0.675 9.424 279 HH22 ARG 38 HH22 ARG 38 -4.531 -0.455 11.160 280 H ASN 39 H ASN 39 2.081 -4.289 7.222 281 HA ASN 39 HA ASN 39 -0.170 -6.153 6.924 282 HB2 ASN 39 HB2 ASN 39 0.744 -4.196 4.776 283 HB3 ASN 39 HB3 ASN 39 -0.440 -5.471 4.545 284 HD21 ASN 39 HD22 ASN 39 0.070 -2.258 5.425 285 HD22 ASN 39 HD21 ASN 39 -1.431 -1.872 6.213 286 H HIS 40 H HIS 40 2.642 -6.447 7.699 287 HA HIS 40 HA HIS 40 4.307 -7.911 7.355 288 HB2 HIS 40 HB2 HIS 40 2.525 -9.378 5.412 289 HB3 HIS 40 HB3 HIS 40 3.746 -10.046 6.495 290 HD2 HIS 40 HD2 HIS 40 2.451 -8.205 9.066 291 HE1 HIS 40 HE1 HIS 40 -0.784 -10.919 8.577 292 HE2 HIS 40 HE2 HIS 40 0.303 -9.241 10.152 293 H TRP 41 H TRP 41 4.125 -5.578 5.526 294 HA TRP 41 HA TRP 41 5.143 -4.723 3.740 295 HB2 TRP 41 HB2 TRP 41 7.153 -6.822 4.549 296 HB3 TRP 41 HB3 TRP 41 7.440 -5.699 3.230 297 HD1 TRP 41 HD1 TRP 41 7.010 -5.664 7.023 298 HE1 TRP 41 HE1 TRP 41 7.815 -3.397 7.920 299 HE3 TRP 41 HE3 TRP 41 7.966 -3.451 2.614 300 HZ2 TRP 41 HZ2 TRP 41 8.443 -0.748 6.766 301 HZ3 TRP 41 HZ3 TRP 41 8.702 -1.057 2.483 302 HH2 TRP 41 HH2 TRP 41 8.926 0.279 4.556 303 H ASN 42 H ASN 42 2.996 -6.375 2.993 304 HA ASN 42 HA ASN 42 3.946 -7.095 0.267 305 HB2 ASN 42 HB2 ASN 42 1.630 -8.089 2.008 306 HB3 ASN 42 HB3 ASN 42 1.681 -8.296 0.253 307 HD21 ASN 42 HD22 ASN 42 3.099 -9.777 -0.706 308 HD22 ASN 42 HD21 ASN 42 4.012 -10.939 0.231 309 H ILE 43 H ILE 43 3.361 -5.788 -1.286 310 HA ILE 43 HA ILE 43 1.779 -3.447 -0.836 311 HB ILE 43 HB ILE 43 2.721 -4.925 -3.322 312 HG12 ILE 43 HG12 ILE 43 3.705 -2.481 -1.794 313 HG13 ILE 43 HG13 ILE 43 4.522 -3.999 -1.944 314 HG21 ILE 43 HG21 ILE 43 1.441 -2.173 -3.145 315 HG22 ILE 43 HG22 ILE 43 2.131 -2.918 -4.612 316 HG23 ILE 43 HG23 ILE 43 0.708 -3.631 -3.877 317 HD11 ILE 43 HD11 ILE 43 5.557 -2.509 -3.525 318 HD12 ILE 43 HD12 ILE 43 4.633 -3.702 -4.452 319 HD13 ILE 43 HD13 ILE 43 3.993 -2.058 -4.231 320 H ASN 44 H ASN 44 1.013 -6.761 -1.768 321 HA ASN 44 HA ASN 44 -1.573 -6.018 -2.887 322 HB2 ASN 44 HB2 ASN 44 -0.298 -8.714 -2.263 323 HB3 ASN 44 HB3 ASN 44 -1.821 -8.508 -3.139 324 HD21 ASN 44 HD22 ASN 44 0.774 -9.687 -4.037 325 HD22 ASN 44 HD21 ASN 44 1.205 -8.792 -5.480 326 H TYR 45 H TYR 45 -0.481 -6.134 0.195 327 HA TYR 45 HA TYR 45 -3.167 -6.780 1.308 328 HB2 TYR 45 HB2 TYR 45 -0.360 -7.510 2.203 329 HB3 TYR 45 HB3 TYR 45 -1.686 -7.501 3.339 330 HD1 TYR 45 HD2 TYR 45 -3.620 -9.075 3.055 331 HD2 TYR 45 HD1 TYR 45 -0.122 -9.283 0.560 332 HE1 TYR 45 HE2 TYR 45 -4.250 -11.373 2.365 333 HE2 TYR 45 HE1 TYR 45 -0.735 -11.580 -0.122 334 HH TYR 45 HH TYR 45 -2.256 -13.288 0.090 335 H ALA 46 H ALA 46 -0.930 -4.427 0.613 336 HA ALA 46 HA ALA 46 -1.441 -2.865 3.102 337 HB1 ALA 46 HB1 ALA 46 0.724 -2.757 0.971 338 HB2 ALA 46 HB2 ALA 46 0.581 -1.599 2.310 339 HB3 ALA 46 HB3 ALA 46 0.899 -3.317 2.656 340 H LEU 47 H LEU 47 -1.771 -2.865 -0.464 341 HA LEU 47 HA LEU 47 -2.468 -0.068 -0.624 342 HB2 LEU 47 HB2 LEU 47 -3.027 -2.463 -2.422 343 HB3 LEU 47 HB3 LEU 47 -3.445 -0.792 -2.844 344 HG LEU 47 HG LEU 47 -0.622 -1.682 -2.185 345 HD11 LEU 47 HD11 LEU 47 -1.991 -1.288 -4.886 346 HD12 LEU 47 HD12 LEU 47 -0.256 -1.597 -4.635 347 HD13 LEU 47 HD13 LEU 47 -1.448 -2.842 -4.202 348 HD21 LEU 47 HD21 LEU 47 -1.055 0.743 -1.913 349 HD22 LEU 47 HD22 LEU 47 -0.005 0.421 -3.302 350 HD23 LEU 47 HD23 LEU 47 -1.731 0.797 -3.559 351 H ASN 48 H ASN 48 -4.255 -3.073 0.037 352 HA ASN 48 HA ASN 48 -6.883 -1.982 -0.218 353 HB2 ASN 48 HB2 ASN 48 -6.018 -4.193 1.687 354 HB3 ASN 48 HB3 ASN 48 -7.590 -4.000 0.886 355 HD21 ASN 48 HD22 ASN 48 -4.218 -4.891 0.597 356 HD22 ASN 48 HD21 ASN 48 -4.298 -5.618 -0.994 357 H ASP 49 H ASP 49 -4.520 -2.152 2.399 358 HA ASP 49 HA ASP 49 -6.218 -1.143 4.493 359 HB2 ASP 49 HB2 ASP 49 -3.946 -2.362 4.623 360 HB3 ASP 49 HB3 ASP 49 -3.199 -0.821 4.222 361 H TYR 50 H TYR 50 -4.298 0.352 1.954 362 HA TYR 50 HA TYR 50 -4.630 3.068 2.985 363 HB2 TYR 50 HB2 TYR 50 -2.675 2.309 1.677 364 HB3 TYR 50 HB3 TYR 50 -3.708 1.990 0.289 365 HD1 TYR 50 HD1 TYR 50 -2.195 4.640 2.380 366 HD2 TYR 50 HD2 TYR 50 -4.583 3.765 -1.086 367 HE1 TYR 50 HE1 TYR 50 -1.927 6.992 1.605 368 HE2 TYR 50 HE2 TYR 50 -4.320 6.105 -1.871 369 HH TYR 50 HH TYR 50 -2.462 8.536 0.000 370 H TYR 51 H TYR 51 -6.217 0.913 0.660 371 HA TYR 51 HA TYR 51 -8.011 2.965 -0.342 372 HB2 TYR 51 HB2 TYR 51 -8.099 -0.064 -0.557 373 HB3 TYR 51 HB3 TYR 51 -9.132 1.048 -1.457 374 HD1 TYR 51 HD1 TYR 51 -7.057 3.187 -2.056 375 HD2 TYR 51 HD2 TYR 51 -6.926 -1.106 -2.364 376 HE1 TYR 51 HE1 TYR 51 -5.331 3.377 -3.809 377 HE2 TYR 51 HE2 TYR 51 -5.208 -0.923 -4.148 378 HH TYR 51 HH TYR 51 -3.977 2.241 -5.294 379 H ASP 52 H ASP 52 -7.846 1.336 2.606 380 HA ASP 52 HA ASP 52 -10.778 1.394 3.057 381 HB2 ASP 52 HB2 ASP 52 -8.363 0.400 4.622 382 HB3 ASP 52 HB3 ASP 52 -9.977 0.479 5.302 383 H LYS 53 H LYS 53 -7.766 3.102 3.822 384 HA LYS 53 HA LYS 53 -9.249 4.725 5.853 385 HB2 LYS 53 HB2 LYS 53 -6.370 3.785 5.794 386 HB3 LYS 53 HB3 LYS 53 -7.090 4.857 7.021 387 HG2 LYS 53 HG2 LYS 53 -8.718 3.119 7.632 388 HG3 LYS 53 HG3 LYS 53 -8.052 2.031 6.384 389 HD2 LYS 53 HD2 LYS 53 -5.862 2.088 7.493 390 HD3 LYS 53 HD3 LYS 53 -6.503 3.206 8.718 391 HE2 LYS 53 HE2 LYS 53 -6.472 0.938 9.620 392 HE3 LYS 53 HE3 LYS 53 -8.147 1.477 9.415 393 HZ1 LYS 53 HZ1 LYS 53 -6.673 -0.253 7.546 394 HZ2 LYS 53 HZ2 LYS 53 -7.814 -0.760 8.616 395 HZ3 LYS 53 HZ3 LYS 53 -8.236 0.225 7.369 396 H GLU 54 H GLU 54 -7.587 4.955 2.836 397 HA GLU 54 HA GLU 54 -7.327 7.893 3.225 398 HB2 GLU 54 HB2 GLU 54 -5.234 6.053 2.017 399 HB3 GLU 54 HB3 GLU 54 -5.168 7.814 1.975 400 HG2 GLU 54 HG2 GLU 54 -5.142 6.111 4.497 401 HG3 GLU 54 HG3 GLU 54 -3.738 6.869 3.756 402 H ILE 55 H ILE 55 -9.052 5.696 1.606 403 HA ILE 55 HA ILE 55 -8.387 6.227 -1.106 404 HB ILE 55 HB ILE 55 -9.596 4.245 -0.264 405 HG12 ILE 55 HG12 ILE 55 -11.057 5.815 -2.409 406 HG13 ILE 55 HG13 ILE 55 -9.538 4.932 -2.647 407 HG21 ILE 55 HG21 ILE 55 -12.020 6.095 -0.120 408 HG22 ILE 55 HG22 ILE 55 -11.995 4.350 0.201 409 HG23 ILE 55 HG23 ILE 55 -11.149 5.455 1.292 410 HD11 ILE 55 HD11 ILE 55 -11.425 3.578 -3.416 411 HD12 ILE 55 HD12 ILE 55 -10.657 2.815 -2.005 412 HD13 ILE 55 HD13 ILE 55 -12.200 3.689 -1.822 413 H GLY 56 H GLY 56 -9.362 7.588 -2.651 414 HA2 GLY 56 HA2 GLY 56 -10.480 10.072 -1.488 415 HA3 GLY 56 HA3 GLY 56 -9.711 9.883 -3.067 416 H THR 57 H THR 57 -11.839 7.285 -2.711 417 HA THR 57 HA THR 57 -14.255 8.682 -3.605 418 HB THR 57 HB THR 57 -12.826 8.603 -5.631 419 HG1 THR 57 HG1 THR 57 -14.415 7.619 -6.908 420 HG21 THR 57 HG21 THR 57 -13.054 5.575 -5.330 421 HG22 THR 57 HG22 THR 57 -12.351 6.446 -6.710 422 HG23 THR 57 HG23 THR 57 -11.559 6.525 -5.128 423 H PHE 58 H PHE 58 -15.964 6.934 -4.245 424 HA PHE 58 HA PHE 58 -15.497 4.294 -3.096 425 HB2 PHE 58 HB2 PHE 58 -16.091 5.818 -1.158 426 HB3 PHE 58 HB3 PHE 58 -17.659 6.087 -1.923 427 HD1 PHE 58 HD1 PHE 58 -15.350 3.397 -0.737 428 HD2 PHE 58 HD2 PHE 58 -19.425 4.559 -1.464 429 HE1 PHE 58 HE1 PHE 58 -16.139 1.286 0.318 430 HE2 PHE 58 HE2 PHE 58 -20.214 2.460 -0.401 431 HZ PHE 58 HZ PHE 58 -18.572 0.826 0.485 432 H THR 59 H THR 59 -16.194 3.132 -4.745 433 HA THR 59 HA THR 59 -18.912 3.634 -5.857 434 HB THR 59 HB THR 59 -18.104 3.255 -8.116 435 HG1 THR 59 HG1 THR 59 -15.851 3.196 -8.464 436 HG21 THR 59 HG21 THR 59 -16.476 5.449 -6.768 437 HG22 THR 59 HG22 THR 59 -16.907 5.356 -8.489 438 HG23 THR 59 HG23 THR 59 -18.177 5.592 -7.267 439 H ASP 60 H ASP 60 -19.525 1.710 -7.335 440 HA ASP 60 HA ASP 60 -19.126 -0.739 -5.806 441 HB2 ASP 60 HB2 ASP 60 -20.750 -0.162 -8.314 442 HB3 ASP 60 HB3 ASP 60 -20.815 -1.651 -7.363 443 H GLU 61 H GLU 61 -16.945 0.597 -7.601 444 HA GLU 61 HA GLU 61 -16.272 -1.912 -9.036 445 HB2 GLU 61 HB2 GLU 61 -15.483 0.954 -9.709 446 HB3 GLU 61 HB3 GLU 61 -14.928 -0.501 -10.573 447 HG2 GLU 61 HG2 GLU 61 -17.283 -1.052 -11.111 448 HG3 GLU 61 HG3 GLU 61 -17.816 0.437 -10.318 449 H VAL 62 H VAL 62 -15.717 -0.713 -6.189 450 HA VAL 62 HA VAL 62 -12.803 -1.349 -6.203 451 HB VAL 62 HB VAL 62 -14.222 0.734 -4.495 452 HG11 VAL 62 HG11 VAL 62 -11.296 -0.111 -4.678 453 HG12 VAL 62 HG12 VAL 62 -11.921 1.252 -3.719 454 HG13 VAL 62 HG13 VAL 62 -12.381 -0.410 -3.301 455 HG21 VAL 62 HG21 VAL 62 -13.894 1.503 -6.820 456 HG22 VAL 62 HG22 VAL 62 -12.789 2.346 -5.723 457 HG23 VAL 62 HG23 VAL 62 -12.183 1.020 -6.746 Start of MODEL 19 1 HA ILE 6 HA ILE 6 20.429 -8.231 -7.307 2 HB ILE 6 HB ILE 6 22.151 -9.831 -7.991 3 HG12 ILE 6 HG12 ILE 6 21.640 -8.795 -10.820 4 HG13 ILE 6 HG13 ILE 6 23.112 -8.517 -9.870 5 HG21 ILE 6 HG21 ILE 6 19.722 -10.388 -8.033 6 HG22 ILE 6 HG22 ILE 6 19.673 -9.973 -9.762 7 HG23 ILE 6 HG23 ILE 6 20.662 -11.340 -9.194 8 HD11 ILE 6 HD11 ILE 6 23.493 -10.975 -9.767 9 HD12 ILE 6 HD12 ILE 6 22.069 -11.221 -10.813 10 HD13 ILE 6 HD13 ILE 6 23.483 -10.345 -11.428 11 H LYS 7 H LYS 7 22.530 -8.158 -6.200 12 HA LYS 7 HA LYS 7 24.102 -6.883 -5.235 13 HB2 LYS 7 HB2 LYS 7 25.103 -6.797 -8.098 14 HB3 LYS 7 HB3 LYS 7 26.071 -6.514 -6.633 15 HG2 LYS 7 HG2 LYS 7 25.615 -8.784 -5.839 16 HG3 LYS 7 HG3 LYS 7 24.560 -9.090 -7.241 17 HD2 LYS 7 HD2 LYS 7 26.440 -8.723 -8.771 18 HD3 LYS 7 HD3 LYS 7 27.532 -8.429 -7.402 19 HE2 LYS 7 HE2 LYS 7 25.989 -11.009 -7.915 20 HE3 LYS 7 HE3 LYS 7 27.703 -10.758 -8.283 21 HZ1 LYS 7 HZ1 LYS 7 27.419 -11.863 -6.191 22 HZ2 LYS 7 HZ2 LYS 7 28.100 -10.386 -5.955 23 HZ3 LYS 7 HZ3 LYS 7 26.514 -10.627 -5.593 24 H ARG 8 H ARG 8 21.759 -5.313 -5.965 25 HA ARG 8 HA ARG 8 22.621 -2.745 -6.943 26 HB2 ARG 8 HB2 ARG 8 20.387 -1.992 -6.071 27 HB3 ARG 8 HB3 ARG 8 20.320 -3.387 -7.170 28 HG2 ARG 8 HG2 ARG 8 20.210 -4.876 -5.151 29 HG3 ARG 8 HG3 ARG 8 20.049 -3.390 -4.176 30 HD2 ARG 8 HD2 ARG 8 18.043 -2.769 -5.547 31 HD3 ARG 8 HD3 ARG 8 18.177 -4.301 -6.411 32 HE ARG 8 HE ARG 8 17.222 -3.886 -3.665 33 HH11 ARG 8 HH11 ARG 8 18.344 -6.234 -6.061 34 HH12 ARG 8 HH12 ARG 8 17.638 -7.595 -5.219 35 HH21 ARG 8 HH21 ARG 8 16.316 -5.681 -2.602 36 HH22 ARG 8 HH22 ARG 8 16.491 -7.284 -3.284 37 H LYS 9 H LYS 9 23.506 -1.038 -5.947 38 HA LYS 9 HA LYS 9 24.105 -1.286 -3.052 39 HB2 LYS 9 HB2 LYS 9 25.522 0.193 -5.296 40 HB3 LYS 9 HB3 LYS 9 26.088 0.060 -3.618 41 HG2 LYS 9 HG2 LYS 9 26.371 -2.332 -3.828 42 HG3 LYS 9 HG3 LYS 9 25.593 -2.347 -5.435 43 HD2 LYS 9 HD2 LYS 9 27.347 -0.958 -6.369 44 HD3 LYS 9 HD3 LYS 9 28.066 -0.774 -4.762 45 HE2 LYS 9 HE2 LYS 9 29.313 -2.471 -6.066 46 HE3 LYS 9 HE3 LYS 9 28.481 -3.247 -4.708 47 HZ1 LYS 9 HZ1 LYS 9 28.195 -4.475 -6.744 48 HZ2 LYS 9 HZ2 LYS 9 26.739 -3.888 -6.254 49 HZ3 LYS 9 HZ3 LYS 9 27.534 -3.172 -7.497 50 H ASP 10 H ASP 10 21.751 0.078 -4.648 51 HA ASP 10 HA ASP 10 21.854 2.521 -2.999 52 HB2 ASP 10 HB2 ASP 10 22.662 3.059 -5.306 53 HB3 ASP 10 HB3 ASP 10 21.105 2.520 -5.948 54 H ALA 11 H ALA 11 20.468 -0.060 -2.767 55 HA ALA 11 HA ALA 11 17.674 0.943 -2.692 56 HB1 ALA 11 HB1 ALA 11 18.557 -1.719 -3.840 57 HB2 ALA 11 HB2 ALA 11 16.875 -1.153 -3.671 58 HB3 ALA 11 HB3 ALA 11 17.977 -0.331 -4.795 59 H SER 12 H SER 12 16.278 -0.812 -1.551 60 HA SER 12 HA SER 12 17.695 -2.257 0.590 61 HB2 SER 12 HB2 SER 12 16.957 -0.955 2.329 62 HB3 SER 12 HB3 SER 12 17.036 0.300 1.091 63 HG SER 12 HG SER 12 15.025 0.171 2.289 64 HA PRO 13 HA PRO 13 14.258 -5.011 0.093 65 HB2 PRO 13 HB2 PRO 13 13.376 -5.695 2.561 66 HB3 PRO 13 HB3 PRO 13 15.059 -6.091 2.061 67 HG2 PRO 13 HG2 PRO 13 14.133 -3.629 3.608 68 HG3 PRO 13 HG3 PRO 13 15.386 -4.825 4.112 69 HD2 PRO 13 HD2 PRO 13 16.089 -2.554 2.845 70 HD3 PRO 13 HD3 PRO 13 16.859 -4.096 2.353 71 H GLU 14 H GLU 14 13.720 -2.263 2.226 72 HA GLU 14 HA GLU 14 10.816 -2.318 2.011 73 HB2 GLU 14 HB2 GLU 14 12.789 -0.179 2.922 74 HB3 GLU 14 HB3 GLU 14 11.023 -0.085 3.070 75 HG2 GLU 14 HG2 GLU 14 11.033 -2.133 4.469 76 HG3 GLU 14 HG3 GLU 14 12.804 -2.149 4.396 77 H GLN 15 H GLN 15 13.560 -0.874 0.283 78 HA GLN 15 HA GLN 15 12.019 1.074 -1.150 79 HB2 GLN 15 HB2 GLN 15 14.750 0.344 -0.823 80 HB3 GLN 15 HB3 GLN 15 14.442 0.161 -2.549 81 HG2 GLN 15 HG2 GLN 15 15.141 2.477 -1.926 82 HG3 GLN 15 HG3 GLN 15 13.501 2.416 -2.645 83 HE21 GLN 15 HE22 GLN 15 14.477 1.424 0.643 84 HE22 GLN 15 HE21 GLN 15 13.388 2.501 1.486 85 H GLU 16 H GLU 16 12.490 -2.282 -1.519 86 HA GLU 16 HA GLU 16 11.773 -2.309 -4.365 87 HB2 GLU 16 HB2 GLU 16 11.995 -4.505 -2.265 88 HB3 GLU 16 HB3 GLU 16 11.588 -4.825 -3.957 89 HG2 GLU 16 HG2 GLU 16 14.119 -3.373 -3.097 90 HG3 GLU 16 HG3 GLU 16 14.018 -5.122 -3.333 91 H ALA 17 H ALA 17 10.114 -2.465 -1.297 92 HA ALA 17 HA ALA 17 7.548 -3.153 -2.626 93 HB1 ALA 17 HB1 ALA 17 6.690 -3.297 -0.329 94 HB2 ALA 17 HB2 ALA 17 8.152 -4.293 -0.531 95 HB3 ALA 17 HB3 ALA 17 8.252 -2.725 0.300 96 H ILE 18 H ILE 18 9.233 -0.379 -1.192 97 HA ILE 18 HA ILE 18 6.834 1.232 -0.939 98 HB ILE 18 HB ILE 18 9.812 1.741 -0.705 99 HG12 ILE 18 HG12 ILE 18 7.545 1.900 1.339 100 HG13 ILE 18 HG13 ILE 18 8.488 0.435 1.054 101 HG21 ILE 18 HG21 ILE 18 7.555 3.751 -0.352 102 HG22 ILE 18 HG22 ILE 18 9.243 4.003 0.161 103 HG23 ILE 18 HG23 ILE 18 8.863 3.819 -1.554 104 HD11 ILE 18 HD11 ILE 18 10.573 1.698 1.645 105 HD12 ILE 18 HD12 ILE 18 9.561 3.107 2.053 106 HD13 ILE 18 HD13 ILE 18 9.402 1.598 2.973 107 H GLU 19 H GLU 19 9.325 0.758 -3.472 108 HA GLU 19 HA GLU 19 8.558 3.182 -4.862 109 HB2 GLU 19 HB2 GLU 19 10.148 0.721 -5.658 110 HB3 GLU 19 HB3 GLU 19 9.876 2.089 -6.753 111 HG2 GLU 19 HG2 GLU 19 11.097 2.393 -3.978 112 HG3 GLU 19 HG3 GLU 19 12.051 2.184 -5.444 113 H SER 20 H SER 20 7.349 -0.167 -4.846 114 HA SER 20 HA SER 20 5.726 0.241 -7.241 115 HB2 SER 20 HB2 SER 20 5.892 -1.924 -5.105 116 HB3 SER 20 HB3 SER 20 4.872 -2.006 -6.558 117 HG SER 20 HG SER 20 6.928 -3.034 -6.826 118 H PHE 21 H PHE 21 5.449 0.787 -3.790 119 HA PHE 21 HA PHE 21 2.553 0.769 -3.682 120 HB2 PHE 21 HB2 PHE 21 4.238 0.517 -1.755 121 HB3 PHE 21 HB3 PHE 21 4.596 2.189 -1.938 122 HD1 PHE 21 HD1 PHE 21 2.616 3.892 -1.650 123 HD2 PHE 21 HD2 PHE 21 2.476 -0.191 -0.312 124 HE1 PHE 21 HE1 PHE 21 0.693 4.430 -0.184 125 HE2 PHE 21 HE2 PHE 21 0.559 0.343 1.143 126 HZ PHE 21 HZ PHE 21 -0.357 2.655 1.196 127 H THR 22 H THR 22 5.095 3.252 -3.906 128 HA THR 22 HA THR 22 3.287 5.492 -4.198 129 HB THR 22 HB THR 22 6.085 5.537 -5.248 130 HG1 THR 22 HG1 THR 22 6.335 4.368 -3.320 131 HG21 THR 22 HG21 THR 22 4.505 7.386 -3.403 132 HG22 THR 22 HG22 THR 22 6.133 7.713 -4.020 133 HG23 THR 22 HG23 THR 22 4.762 7.633 -5.151 134 H SER 23 H SER 23 4.133 2.973 -6.317 135 HA SER 23 HA SER 23 3.915 4.620 -8.734 136 HB2 SER 23 HB2 SER 23 4.198 1.657 -8.227 137 HB3 SER 23 HB3 SER 23 4.018 2.330 -9.853 138 HG SER 23 HG SER 23 6.124 2.790 -8.028 139 H LEU 24 H LEU 24 1.892 2.919 -6.526 140 HA LEU 24 HA LEU 24 -0.358 2.798 -8.485 141 HB2 LEU 24 HB2 LEU 24 0.333 1.099 -6.055 142 HB3 LEU 24 HB3 LEU 24 -1.223 1.048 -6.892 143 HG LEU 24 HG LEU 24 1.472 0.496 -8.227 144 HD11 LEU 24 HD11 LEU 24 -0.675 -1.423 -7.249 145 HD12 LEU 24 HD12 LEU 24 0.762 -1.867 -8.200 146 HD13 LEU 24 HD13 LEU 24 0.953 -1.221 -6.554 147 HD21 LEU 24 HD21 LEU 24 -0.240 1.259 -9.824 148 HD22 LEU 24 HD22 LEU 24 0.063 -0.472 -10.031 149 HD23 LEU 24 HD23 LEU 24 -1.394 0.073 -9.167 150 H THR 25 H THR 25 0.890 4.309 -5.693 151 HA THR 25 HA THR 25 -1.726 5.644 -5.334 152 HB THR 25 HB THR 25 -1.280 5.896 -2.939 153 HG1 THR 25 HG1 THR 25 0.945 4.224 -3.456 154 HG21 THR 25 HG21 THR 25 -1.615 3.571 -2.217 155 HG22 THR 25 HG22 THR 25 -2.573 3.914 -3.674 156 HG23 THR 25 HG23 THR 25 -1.063 2.976 -3.795 157 H LYS 26 H LYS 26 -1.382 7.944 -4.547 158 HA LYS 26 HA LYS 26 1.190 8.944 -5.674 159 HB2 LYS 26 HB2 LYS 26 -1.541 10.260 -5.744 160 HB3 LYS 26 HB3 LYS 26 -0.044 10.935 -6.401 161 HG2 LYS 26 HG2 LYS 26 -1.439 8.381 -7.305 162 HG3 LYS 26 HG3 LYS 26 -1.357 9.912 -8.189 163 HD2 LYS 26 HD2 LYS 26 1.013 8.097 -7.537 164 HD3 LYS 26 HD3 LYS 26 0.240 8.278 -9.109 165 HE2 LYS 26 HE2 LYS 26 0.855 10.681 -9.148 166 HE3 LYS 26 HE3 LYS 26 1.620 10.508 -7.561 167 HZ1 LYS 26 HZ1 LYS 26 3.224 10.357 -9.325 168 HZ2 LYS 26 HZ2 LYS 26 3.138 8.919 -8.535 169 HZ3 LYS 26 HZ3 LYS 26 2.433 9.094 -10.012 170 H CYS 27 H CYS 27 0.611 8.196 -2.859 171 HA CYS 27 HA CYS 27 0.858 10.778 -1.466 172 HB2 CYS 27 HB2 CYS 27 0.990 9.375 0.547 173 HB3 CYS 27 HB3 CYS 27 -0.408 8.922 -0.446 174 HG CYS 27 HG CYS 27 2.602 7.539 -0.378 175 H ASP 28 H ASP 28 2.836 10.678 0.289 176 HA ASP 28 HA ASP 28 5.258 10.627 -1.252 177 HB2 ASP 28 HB2 ASP 28 4.690 10.836 1.724 178 HB3 ASP 28 HB3 ASP 28 6.265 11.116 0.978 179 HA PRO 29 HA PRO 29 6.577 6.437 -0.793 180 HB2 PRO 29 HB2 PRO 29 9.170 7.626 0.209 181 HB3 PRO 29 HB3 PRO 29 8.943 6.354 -1.018 182 HG2 PRO 29 HG2 PRO 29 9.497 8.891 -1.800 183 HG3 PRO 29 HG3 PRO 29 8.119 8.053 -2.605 184 HD2 PRO 29 HD2 PRO 29 8.024 9.955 -0.230 185 HD3 PRO 29 HD3 PRO 29 7.065 10.044 -1.735 186 H LYS 30 H LYS 30 7.172 8.759 1.782 187 HA LYS 30 HA LYS 30 8.058 6.958 3.770 188 HB2 LYS 30 HB2 LYS 30 6.965 9.769 3.748 189 HB3 LYS 30 HB3 LYS 30 7.594 8.963 5.222 190 HG2 LYS 30 HG2 LYS 30 9.713 8.460 3.917 191 HG3 LYS 30 HG3 LYS 30 9.082 9.503 2.613 192 HD2 LYS 30 HD2 LYS 30 8.860 11.353 4.222 193 HD3 LYS 30 HD3 LYS 30 9.435 10.266 5.513 194 HE2 LYS 30 HE2 LYS 30 11.595 10.000 4.322 195 HE3 LYS 30 HE3 LYS 30 11.027 11.062 3.025 196 HZ1 LYS 30 HZ1 LYS 30 12.397 12.244 4.586 197 HZ2 LYS 30 HZ2 LYS 30 10.862 12.835 4.648 198 HZ3 LYS 30 HZ3 LYS 30 11.411 11.844 5.841 199 H VAL 31 H VAL 31 4.906 7.619 2.483 200 HA VAL 31 HA VAL 31 3.438 6.815 4.905 201 HB VAL 31 HB VAL 31 2.538 7.384 2.053 202 HG11 VAL 31 HG11 VAL 31 0.904 5.970 3.207 203 HG12 VAL 31 HG12 VAL 31 0.954 7.033 4.637 204 HG13 VAL 31 HG13 VAL 31 0.286 7.626 3.101 205 HG21 VAL 31 HG21 VAL 31 3.500 9.373 3.176 206 HG22 VAL 31 HG22 VAL 31 1.741 9.526 3.016 207 HG23 VAL 31 HG23 VAL 31 2.451 9.084 4.584 208 H SER 32 H SER 32 4.805 5.342 2.000 209 HA SER 32 HA SER 32 3.139 2.989 2.039 210 HB2 SER 32 HB2 SER 32 4.370 3.636 0.041 211 HB3 SER 32 HB3 SER 32 5.910 3.535 0.897 212 HG SER 32 HG SER 32 4.117 1.386 0.463 213 H ARG 33 H ARG 33 6.344 3.811 3.378 214 HA ARG 33 HA ARG 33 6.995 1.315 4.549 215 HB2 ARG 33 HB2 ARG 33 8.607 3.117 4.485 216 HB3 ARG 33 HB3 ARG 33 7.534 4.191 5.397 217 HG2 ARG 33 HG2 ARG 33 7.758 2.823 7.405 218 HG3 ARG 33 HG3 ARG 33 8.715 1.619 6.531 219 HD2 ARG 33 HD2 ARG 33 9.527 4.537 6.824 220 HD3 ARG 33 HD3 ARG 33 10.036 3.259 7.943 221 HE ARG 33 HE ARG 33 10.979 2.091 5.872 222 HH11 ARG 33 HH11 ARG 33 10.809 5.621 6.098 223 HH12 ARG 33 HH12 ARG 33 12.193 5.852 5.055 224 HH21 ARG 33 HH21 ARG 33 12.730 2.413 4.572 225 HH22 ARG 33 HH22 ARG 33 13.279 4.031 4.162 226 H LYS 34 H LYS 34 4.678 3.760 5.518 227 HA LYS 34 HA LYS 34 4.283 2.618 8.194 228 HB2 LYS 34 HB2 LYS 34 4.262 5.007 7.988 229 HB3 LYS 34 HB3 LYS 34 3.163 4.945 6.601 230 HG2 LYS 34 HG2 LYS 34 1.327 4.188 8.020 231 HG3 LYS 34 HG3 LYS 34 2.397 4.172 9.441 232 HD2 LYS 34 HD2 LYS 34 2.713 6.573 9.303 233 HD3 LYS 34 HD3 LYS 34 1.944 6.634 7.703 234 HE2 LYS 34 HE2 LYS 34 0.405 7.443 9.423 235 HE3 LYS 34 HE3 LYS 34 -0.196 5.962 8.659 236 HZ1 LYS 34 HZ1 LYS 34 0.598 4.735 10.562 237 HZ2 LYS 34 HZ2 LYS 34 1.192 6.098 11.262 238 HZ3 LYS 34 HZ3 LYS 34 -0.426 5.920 11.058 239 H TYR 35 H TYR 35 2.866 2.283 4.994 240 HA TYR 35 HA TYR 35 0.537 0.886 6.202 241 HB2 TYR 35 HB2 TYR 35 1.009 2.254 3.586 242 HB3 TYR 35 HB3 TYR 35 -0.109 0.894 3.645 243 HD1 TYR 35 HD2 TYR 35 -2.121 0.916 5.002 244 HD2 TYR 35 HD1 TYR 35 0.419 4.374 4.723 245 HE1 TYR 35 HE2 TYR 35 -3.925 2.312 5.980 246 HE2 TYR 35 HE1 TYR 35 -1.386 5.782 5.674 247 HH TYR 35 HH TYR 35 -3.526 5.825 6.542 248 H LEU 36 H LEU 36 3.625 0.159 5.011 249 HA LEU 36 HA LEU 36 2.801 -2.599 4.269 250 HB2 LEU 36 HB2 LEU 36 5.398 -1.012 4.214 251 HB3 LEU 36 HB3 LEU 36 5.373 -2.762 3.949 252 HG LEU 36 HG LEU 36 3.666 -0.872 2.294 253 HD11 LEU 36 HD11 LEU 36 6.042 -0.220 2.062 254 HD12 LEU 36 HD12 LEU 36 6.474 -1.908 1.708 255 HD13 LEU 36 HD13 LEU 36 5.440 -0.995 0.581 256 HD21 LEU 36 HD21 LEU 36 3.168 -3.366 2.334 257 HD22 LEU 36 HD22 LEU 36 3.649 -2.750 0.736 258 HD23 LEU 36 HD23 LEU 36 4.813 -3.647 1.731 259 H GLN 37 H GLN 37 3.567 -0.751 6.993 260 HA GLN 37 HA GLN 37 5.053 -2.847 8.404 261 HB2 GLN 37 HB2 GLN 37 4.757 0.026 8.544 262 HB3 GLN 37 HB3 GLN 37 4.505 -0.695 10.160 263 HG2 GLN 37 HG2 GLN 37 6.632 -1.785 10.077 264 HG3 GLN 37 HG3 GLN 37 6.732 -1.574 8.322 265 HE21 GLN 37 HE22 GLN 37 8.934 -0.864 8.986 266 HE22 GLN 37 HE21 GLN 37 9.127 0.864 9.146 267 H ARG 38 H ARG 38 1.855 -2.305 7.757 268 HA ARG 38 HA ARG 38 0.965 -3.546 10.324 269 HB2 ARG 38 HB2 ARG 38 -1.004 -2.327 8.443 270 HB3 ARG 38 HB3 ARG 38 -1.016 -2.370 10.201 271 HG2 ARG 38 HG2 ARG 38 0.683 -0.563 8.430 272 HG3 ARG 38 HG3 ARG 38 -0.780 -0.082 9.281 273 HD2 ARG 38 HD2 ARG 38 1.775 -1.031 10.639 274 HD3 ARG 38 HD3 ARG 38 1.242 0.649 10.488 275 HE ARG 38 HE ARG 38 -0.905 -0.558 11.687 276 HH11 ARG 38 HH11 ARG 38 2.551 -0.481 12.432 277 HH12 ARG 38 HH12 ARG 38 2.301 -0.641 14.155 278 HH21 ARG 38 HH21 ARG 38 -1.200 -0.783 13.939 279 HH22 ARG 38 HH22 ARG 38 0.186 -0.815 15.004 280 H ASN 39 H ASN 39 1.862 -4.369 7.269 281 HA ASN 39 HA ASN 39 -0.288 -6.372 6.902 282 HB2 ASN 39 HB2 ASN 39 0.688 -4.350 4.847 283 HB3 ASN 39 HB3 ASN 39 -0.486 -5.634 4.528 284 HD21 ASN 39 HD22 ASN 39 0.015 -2.442 5.678 285 HD22 ASN 39 HD21 ASN 39 -1.564 -2.110 6.325 286 H HIS 40 H HIS 40 2.509 -6.621 7.793 287 HA HIS 40 HA HIS 40 4.275 -7.984 7.458 288 HB2 HIS 40 HB2 HIS 40 2.534 -9.545 5.553 289 HB3 HIS 40 HB3 HIS 40 3.795 -10.148 6.644 290 HD2 HIS 40 HD2 HIS 40 0.212 -10.209 6.367 291 HE1 HIS 40 HE1 HIS 40 0.720 -9.760 10.565 292 HE2 HIS 40 HE2 HIS 40 -0.929 -10.354 8.717 293 H TRP 41 H TRP 41 4.013 -5.683 5.645 294 HA TRP 41 HA TRP 41 4.960 -4.781 3.848 295 HB2 TRP 41 HB2 TRP 41 7.064 -6.809 4.587 296 HB3 TRP 41 HB3 TRP 41 7.284 -5.627 3.312 297 HD1 TRP 41 HD1 TRP 41 6.676 -5.706 7.097 298 HE1 TRP 41 HE1 TRP 41 7.415 -3.461 8.101 299 HE3 TRP 41 HE3 TRP 41 7.958 -3.405 2.819 300 HZ2 TRP 41 HZ2 TRP 41 8.174 -0.808 7.058 301 HZ3 TRP 41 HZ3 TRP 41 8.772 -1.029 2.802 302 HH2 TRP 41 HH2 TRP 41 8.902 0.245 4.910 303 H ASN 42 H ASN 42 2.991 -6.956 3.290 304 HA ASN 42 HA ASN 42 3.811 -7.651 0.534 305 HB2 ASN 42 HB2 ASN 42 1.418 -8.264 2.310 306 HB3 ASN 42 HB3 ASN 42 1.336 -8.461 0.566 307 HD21 ASN 42 HD22 ASN 42 0.903 -10.722 1.173 308 HD22 ASN 42 HD21 ASN 42 2.289 -11.786 1.305 309 H ILE 43 H ILE 43 3.432 -6.247 -1.125 310 HA ILE 43 HA ILE 43 1.893 -3.845 -0.671 311 HB ILE 43 HB ILE 43 3.323 -5.116 -2.989 312 HG12 ILE 43 HG12 ILE 43 4.368 -3.574 -1.247 313 HG13 ILE 43 HG13 ILE 43 4.575 -3.014 -2.928 314 HG21 ILE 43 HG21 ILE 43 1.325 -2.828 -3.287 315 HG22 ILE 43 HG22 ILE 43 2.561 -3.264 -4.489 316 HG23 ILE 43 HG23 ILE 43 1.267 -4.408 -4.089 317 HD11 ILE 43 HD11 ILE 43 2.317 -2.029 -1.185 318 HD12 ILE 43 HD12 ILE 43 3.946 -1.323 -1.200 319 HD13 ILE 43 HD13 ILE 43 2.966 -1.336 -2.696 320 H ASN 44 H ASN 44 1.039 -7.105 -1.461 321 HA ASN 44 HA ASN 44 -1.415 -6.249 -2.800 322 HB2 ASN 44 HB2 ASN 44 -0.392 -8.991 -1.933 323 HB3 ASN 44 HB3 ASN 44 -1.846 -8.733 -2.904 324 HD21 ASN 44 HD22 ASN 44 0.474 -10.277 -3.679 325 HD22 ASN 44 HD21 ASN 44 1.141 -9.508 -5.109 326 H TYR 45 H TYR 45 -0.399 -6.480 0.369 327 HA TYR 45 HA TYR 45 -3.173 -6.845 1.425 328 HB2 TYR 45 HB2 TYR 45 -0.392 -7.249 2.602 329 HB3 TYR 45 HB3 TYR 45 -1.849 -7.341 3.557 330 HD1 TYR 45 HD2 TYR 45 -3.028 -8.821 0.697 331 HD2 TYR 45 HD1 TYR 45 -0.112 -9.510 3.783 332 HE1 TYR 45 HE2 TYR 45 -3.165 -11.254 0.275 333 HE2 TYR 45 HE1 TYR 45 -0.257 -11.950 3.380 334 HH TYR 45 HH TYR 45 -1.216 -13.624 2.128 335 H ALA 46 H ALA 46 -0.489 -4.678 0.965 336 HA ALA 46 HA ALA 46 -1.236 -2.920 3.194 337 HB1 ALA 46 HB1 ALA 46 0.907 -2.890 1.051 338 HB2 ALA 46 HB2 ALA 46 0.760 -1.658 2.337 339 HB3 ALA 46 HB3 ALA 46 1.092 -3.352 2.769 340 H LEU 47 H LEU 47 -1.640 -3.048 -0.355 341 HA LEU 47 HA LEU 47 -2.262 -0.228 -0.577 342 HB2 LEU 47 HB2 LEU 47 -2.804 -2.639 -2.356 343 HB3 LEU 47 HB3 LEU 47 -3.250 -0.982 -2.795 344 HG LEU 47 HG LEU 47 -0.417 -1.875 -2.185 345 HD11 LEU 47 HD11 LEU 47 -1.826 -1.250 -4.816 346 HD12 LEU 47 HD12 LEU 47 -0.093 -1.615 -4.626 347 HD13 LEU 47 HD13 LEU 47 -1.308 -2.862 -4.271 348 HD21 LEU 47 HD21 LEU 47 -1.562 0.738 -3.275 349 HD22 LEU 47 HD22 LEU 47 -0.761 0.512 -1.701 350 HD23 LEU 47 HD23 LEU 47 0.170 0.331 -3.196 351 H ASN 48 H ASN 48 -4.139 -3.153 0.153 352 HA ASN 48 HA ASN 48 -6.730 -1.979 -0.195 353 HB2 ASN 48 HB2 ASN 48 -5.971 -4.172 1.772 354 HB3 ASN 48 HB3 ASN 48 -7.536 -3.931 0.963 355 HD21 ASN 48 HD22 ASN 48 -4.199 -4.939 0.705 356 HD22 ASN 48 HD21 ASN 48 -4.294 -5.709 -0.866 357 H ASP 49 H ASP 49 -4.426 -2.186 2.473 358 HA ASP 49 HA ASP 49 -6.107 -1.062 4.514 359 HB2 ASP 49 HB2 ASP 49 -3.878 -2.340 4.708 360 HB3 ASP 49 HB3 ASP 49 -3.079 -0.846 4.240 361 H TYR 50 H TYR 50 -4.098 0.336 1.973 362 HA TYR 50 HA TYR 50 -4.410 3.073 2.938 363 HB2 TYR 50 HB2 TYR 50 -2.446 2.287 1.683 364 HB3 TYR 50 HB3 TYR 50 -3.444 1.926 0.285 365 HD1 TYR 50 HD2 TYR 50 -1.882 4.605 2.274 366 HD2 TYR 50 HD1 TYR 50 -4.361 3.692 -1.119 367 HE1 TYR 50 HE2 TYR 50 -1.564 6.915 1.423 368 HE2 TYR 50 HE1 TYR 50 -4.070 6.006 -1.968 369 HH TYR 50 HH TYR 50 -3.112 8.048 -1.611 370 H TYR 51 H TYR 51 -6.011 0.908 0.636 371 HA TYR 51 HA TYR 51 -7.750 2.981 -0.436 372 HB2 TYR 51 HB2 TYR 51 -7.918 -0.050 -0.589 373 HB3 TYR 51 HB3 TYR 51 -8.898 1.084 -1.526 374 HD1 TYR 51 HD1 TYR 51 -6.743 3.133 -2.127 375 HD2 TYR 51 HD2 TYR 51 -6.762 -1.165 -2.359 376 HE1 TYR 51 HE1 TYR 51 -5.003 3.235 -3.873 377 HE2 TYR 51 HE2 TYR 51 -5.009 -1.071 -4.124 378 HH TYR 51 HH TYR 51 -3.671 2.022 -5.323 379 H ASP 52 H ASP 52 -7.646 1.485 2.560 380 HA ASP 52 HA ASP 52 -10.589 1.614 2.965 381 HB2 ASP 52 HB2 ASP 52 -8.236 0.498 4.534 382 HB3 ASP 52 HB3 ASP 52 -9.845 0.633 5.210 383 H LYS 53 H LYS 53 -7.538 3.228 3.715 384 HA LYS 53 HA LYS 53 -8.946 4.904 5.754 385 HB2 LYS 53 HB2 LYS 53 -6.314 3.460 5.819 386 HB3 LYS 53 HB3 LYS 53 -6.601 4.861 6.864 387 HG2 LYS 53 HG2 LYS 53 -8.219 3.803 8.118 388 HG3 LYS 53 HG3 LYS 53 -8.758 2.773 6.778 389 HD2 LYS 53 HD2 LYS 53 -7.612 1.478 8.542 390 HD3 LYS 53 HD3 LYS 53 -6.839 1.367 6.946 391 HE2 LYS 53 HE2 LYS 53 -5.167 3.057 7.638 392 HE3 LYS 53 HE3 LYS 53 -5.922 3.145 9.241 393 HZ1 LYS 53 HZ1 LYS 53 -4.764 0.710 8.057 394 HZ2 LYS 53 HZ2 LYS 53 -4.014 1.659 9.178 395 HZ3 LYS 53 HZ3 LYS 53 -5.390 0.844 9.566 396 H GLU 54 H GLU 54 -7.270 5.008 2.789 397 HA GLU 54 HA GLU 54 -6.793 7.912 3.177 398 HB2 GLU 54 HB2 GLU 54 -4.855 5.974 1.859 399 HB3 GLU 54 HB3 GLU 54 -4.661 7.726 1.910 400 HG2 GLU 54 HG2 GLU 54 -4.714 5.898 4.339 401 HG3 GLU 54 HG3 GLU 54 -3.266 6.561 3.592 402 H ILE 55 H ILE 55 -8.677 5.828 1.657 403 HA ILE 55 HA ILE 55 -8.155 6.254 -1.098 404 HB ILE 55 HB ILE 55 -9.435 4.387 -0.226 405 HG12 ILE 55 HG12 ILE 55 -11.115 6.142 -2.056 406 HG13 ILE 55 HG13 ILE 55 -9.702 5.193 -2.562 407 HG21 ILE 55 HG21 ILE 55 -11.740 4.650 0.587 408 HG22 ILE 55 HG22 ILE 55 -10.630 5.571 1.607 409 HG23 ILE 55 HG23 ILE 55 -11.622 6.416 0.401 410 HD11 ILE 55 HD11 ILE 55 -10.841 3.112 -1.812 411 HD12 ILE 55 HD12 ILE 55 -12.286 4.068 -1.398 412 HD13 ILE 55 HD13 ILE 55 -11.743 3.966 -3.082 413 H GLY 56 H GLY 56 -9.119 7.634 -2.623 414 HA2 GLY 56 HA2 GLY 56 -9.712 10.291 -1.549 415 HA3 GLY 56 HA3 GLY 56 -9.398 9.842 -3.238 416 H THR 57 H THR 57 -11.757 7.738 -1.998 417 HA THR 57 HA THR 57 -14.044 9.479 -2.554 418 HB THR 57 HB THR 57 -13.206 8.818 -4.806 419 HG1 THR 57 HG1 THR 57 -15.379 9.168 -4.563 420 HG21 THR 57 HG21 THR 57 -13.441 6.489 -5.547 421 HG22 THR 57 HG22 THR 57 -12.256 6.598 -4.237 422 HG23 THR 57 HG23 THR 57 -13.891 5.987 -3.900 423 H PHE 58 H PHE 58 -16.125 8.164 -2.362 424 HA PHE 58 HA PHE 58 -15.757 5.810 -0.585 425 HB2 PHE 58 HB2 PHE 58 -15.885 7.995 0.697 426 HB3 PHE 58 HB3 PHE 58 -17.538 8.169 0.093 427 HD1 PHE 58 HD1 PHE 58 -15.248 5.975 2.032 428 HD2 PHE 58 HD2 PHE 58 -19.316 6.984 1.122 429 HE1 PHE 58 HE1 PHE 58 -16.014 4.510 3.891 430 HE2 PHE 58 HE2 PHE 58 -20.094 5.537 3.005 431 HZ PHE 58 HZ PHE 58 -18.442 4.320 4.393 432 H THR 59 H THR 59 -17.199 7.071 -3.243 433 HA THR 59 HA THR 59 -19.458 5.128 -3.130 434 HB THR 59 HB THR 59 -20.886 6.755 -4.285 435 HG1 THR 59 HG1 THR 59 -20.202 8.921 -4.340 436 HG21 THR 59 HG21 THR 59 -19.778 7.845 -1.665 437 HG22 THR 59 HG22 THR 59 -21.381 8.177 -2.362 438 HG23 THR 59 HG23 THR 59 -20.978 6.538 -1.814 439 H ASP 60 H ASP 60 -20.371 4.714 -5.333 440 HA ASP 60 HA ASP 60 -18.261 4.863 -7.429 441 HB2 ASP 60 HB2 ASP 60 -18.775 2.594 -8.081 442 HB3 ASP 60 HB3 ASP 60 -18.341 2.621 -6.372 443 H GLU 61 H GLU 61 -21.193 6.044 -6.624 444 HA GLU 61 HA GLU 61 -21.884 6.395 -9.457 445 HB2 GLU 61 HB2 GLU 61 -23.189 4.427 -8.634 446 HB3 GLU 61 HB3 GLU 61 -23.841 5.421 -7.325 447 HG2 GLU 61 HG2 GLU 61 -25.454 5.229 -9.119 448 HG3 GLU 61 HG3 GLU 61 -24.919 6.906 -9.000 449 H VAL 62 H VAL 62 -23.156 8.298 -9.823 450 HA VAL 62 HA VAL 62 -23.518 10.128 -7.510 451 HB VAL 62 HB VAL 62 -22.088 10.864 -10.095 452 HG11 VAL 62 HG11 VAL 62 -21.756 13.045 -8.946 453 HG12 VAL 62 HG12 VAL 62 -23.479 12.701 -9.188 454 HG13 VAL 62 HG13 VAL 62 -22.743 12.474 -7.584 455 HG21 VAL 62 HG21 VAL 62 -20.611 9.576 -8.601 456 HG22 VAL 62 HG22 VAL 62 -20.149 11.286 -8.584 457 HG23 VAL 62 HG23 VAL 62 -21.076 10.606 -7.227 Start of MODEL 20 1 HA ILE 6 HA ILE 6 17.429 -5.123 -1.414 2 HB ILE 6 HB ILE 6 16.751 -6.414 0.562 3 HG12 ILE 6 HG12 ILE 6 17.221 -8.870 -1.178 4 HG13 ILE 6 HG13 ILE 6 18.194 -8.382 0.231 5 HG21 ILE 6 HG21 ILE 6 15.144 -5.774 -1.241 6 HG22 ILE 6 HG22 ILE 6 15.366 -7.377 -1.979 7 HG23 ILE 6 HG23 ILE 6 14.642 -7.230 -0.363 8 HD11 ILE 6 HD11 ILE 6 16.155 -8.570 1.662 9 HD12 ILE 6 HD12 ILE 6 15.260 -9.191 0.253 10 HD13 ILE 6 HD13 ILE 6 16.629 -10.108 0.895 11 H LYS 7 H LYS 7 20.067 -6.711 -2.355 12 HA LYS 7 HA LYS 7 21.565 -6.119 0.153 13 HB2 LYS 7 HB2 LYS 7 22.149 -8.265 -1.920 14 HB3 LYS 7 HB3 LYS 7 23.137 -7.900 -0.489 15 HG2 LYS 7 HG2 LYS 7 21.180 -8.408 0.971 16 HG3 LYS 7 HG3 LYS 7 20.254 -8.879 -0.472 17 HD2 LYS 7 HD2 LYS 7 21.945 -10.617 -0.988 18 HD3 LYS 7 HD3 LYS 7 22.888 -10.132 0.432 19 HE2 LYS 7 HE2 LYS 7 21.605 -12.093 1.005 20 HE3 LYS 7 HE3 LYS 7 20.959 -10.707 1.899 21 HZ1 LYS 7 HZ1 LYS 7 19.226 -12.061 0.936 22 HZ2 LYS 7 HZ2 LYS 7 19.208 -10.563 0.258 23 HZ3 LYS 7 HZ3 LYS 7 19.824 -11.838 -0.579 24 H ARG 8 H ARG 8 20.939 -4.714 -2.656 25 HA ARG 8 HA ARG 8 23.679 -4.105 -3.521 26 HB2 ARG 8 HB2 ARG 8 20.968 -3.015 -4.377 27 HB3 ARG 8 HB3 ARG 8 22.524 -2.577 -5.119 28 HG2 ARG 8 HG2 ARG 8 22.931 -4.895 -5.717 29 HG3 ARG 8 HG3 ARG 8 21.369 -5.356 -4.980 30 HD2 ARG 8 HD2 ARG 8 20.187 -3.873 -6.570 31 HD3 ARG 8 HD3 ARG 8 21.735 -3.412 -7.307 32 HE ARG 8 HE ARG 8 21.661 -6.192 -7.448 33 HH11 ARG 8 HH11 ARG 8 19.682 -3.514 -8.640 34 HH12 ARG 8 HH12 ARG 8 19.132 -4.399 -10.047 35 HH21 ARG 8 HH21 ARG 8 20.926 -7.314 -9.287 36 HH22 ARG 8 HH22 ARG 8 19.829 -6.541 -10.406 37 H LYS 9 H LYS 9 24.350 -1.790 -3.741 38 HA LYS 9 HA LYS 9 24.047 -0.499 -1.128 39 HB2 LYS 9 HB2 LYS 9 25.804 0.216 -3.513 40 HB3 LYS 9 HB3 LYS 9 25.911 0.926 -1.900 41 HG2 LYS 9 HG2 LYS 9 26.412 -1.987 -2.633 42 HG3 LYS 9 HG3 LYS 9 27.641 -0.783 -2.225 43 HD2 LYS 9 HD2 LYS 9 25.488 -1.874 -0.365 44 HD3 LYS 9 HD3 LYS 9 27.211 -2.257 -0.315 45 HE2 LYS 9 HE2 LYS 9 26.010 0.515 0.110 46 HE3 LYS 9 HE3 LYS 9 26.545 -0.576 1.396 47 HZ1 LYS 9 HZ1 LYS 9 28.231 1.032 0.859 48 HZ2 LYS 9 HZ2 LYS 9 28.761 -0.476 0.475 49 HZ3 LYS 9 HZ3 LYS 9 28.267 0.548 -0.710 50 H ASP 10 H ASP 10 21.975 -0.488 -3.466 51 HA ASP 10 HA ASP 10 21.256 2.329 -3.013 52 HB2 ASP 10 HB2 ASP 10 22.555 2.197 -5.157 53 HB3 ASP 10 HB3 ASP 10 21.336 1.080 -5.789 54 H ALA 11 H ALA 11 20.354 -0.521 -2.285 55 HA ALA 11 HA ALA 11 17.484 -0.011 -2.727 56 HB1 ALA 11 HB1 ALA 11 18.835 -2.637 -3.476 57 HB2 ALA 11 HB2 ALA 11 17.086 -2.315 -3.500 58 HB3 ALA 11 HB3 ALA 11 18.162 -1.456 -4.625 59 H SER 12 H SER 12 16.120 -1.454 -1.390 60 HA SER 12 HA SER 12 17.420 -2.848 0.841 61 HB2 SER 12 HB2 SER 12 16.846 -1.396 2.517 62 HB3 SER 12 HB3 SER 12 16.994 -0.208 1.219 63 HG SER 12 HG SER 12 15.020 -0.135 2.484 64 HA PRO 13 HA PRO 13 13.793 -5.316 0.502 65 HB2 PRO 13 HB2 PRO 13 12.881 -5.798 3.020 66 HB3 PRO 13 HB3 PRO 13 14.505 -6.387 2.502 67 HG2 PRO 13 HG2 PRO 13 13.866 -3.781 3.954 68 HG3 PRO 13 HG3 PRO 13 15.017 -5.067 4.482 69 HD2 PRO 13 HD2 PRO 13 15.911 -2.937 3.096 70 HD3 PRO 13 HD3 PRO 13 16.493 -4.572 2.649 71 H GLU 14 H GLU 14 13.492 -2.465 2.543 72 HA GLU 14 HA GLU 14 10.590 -2.295 2.387 73 HB2 GLU 14 HB2 GLU 14 12.785 -0.343 3.202 74 HB3 GLU 14 HB3 GLU 14 11.048 -0.003 3.332 75 HG2 GLU 14 HG2 GLU 14 10.735 -1.858 4.874 76 HG3 GLU 14 HG3 GLU 14 12.423 -2.335 4.694 77 H GLN 15 H GLN 15 13.388 -1.164 0.527 78 HA GLN 15 HA GLN 15 11.958 0.871 -0.921 79 HB2 GLN 15 HB2 GLN 15 14.648 -0.057 -0.611 80 HB3 GLN 15 HB3 GLN 15 14.293 -0.155 -2.335 81 HG2 GLN 15 HG2 GLN 15 15.177 2.079 -1.639 82 HG3 GLN 15 HG3 GLN 15 13.539 2.155 -2.358 83 HE21 GLN 15 HE22 GLN 15 14.423 1.009 0.898 84 HE22 GLN 15 HE21 GLN 15 13.436 2.162 1.772 85 H GLU 16 H GLU 16 12.350 -2.537 -1.284 86 HA GLU 16 HA GLU 16 11.708 -2.541 -4.128 87 HB2 GLU 16 HB2 GLU 16 11.743 -4.726 -2.004 88 HB3 GLU 16 HB3 GLU 16 11.363 -5.051 -3.702 89 HG2 GLU 16 HG2 GLU 16 13.944 -3.712 -2.814 90 HG3 GLU 16 HG3 GLU 16 13.758 -5.461 -3.037 91 H ALA 17 H ALA 17 9.891 -2.625 -1.145 92 HA ALA 17 HA ALA 17 7.379 -3.192 -2.619 93 HB1 ALA 17 HB1 ALA 17 7.948 -2.852 0.346 94 HB2 ALA 17 HB2 ALA 17 6.391 -3.328 -0.372 95 HB3 ALA 17 HB3 ALA 17 7.807 -4.394 -0.529 96 H ILE 18 H ILE 18 9.075 -0.517 -0.977 97 HA ILE 18 HA ILE 18 6.760 1.212 -0.866 98 HB ILE 18 HB ILE 18 9.742 1.568 -0.509 99 HG12 ILE 18 HG12 ILE 18 7.385 1.917 1.408 100 HG13 ILE 18 HG13 ILE 18 8.242 0.389 1.201 101 HG21 ILE 18 HG21 ILE 18 9.272 3.882 0.283 102 HG22 ILE 18 HG22 ILE 18 8.971 3.683 -1.449 103 HG23 ILE 18 HG23 ILE 18 7.602 3.730 -0.315 104 HD11 ILE 18 HD11 ILE 18 9.411 3.009 2.229 105 HD12 ILE 18 HD12 ILE 18 9.158 1.496 3.129 106 HD13 ILE 18 HD13 ILE 18 10.383 1.569 1.852 107 H GLU 19 H GLU 19 9.357 0.643 -3.291 108 HA GLU 19 HA GLU 19 8.693 3.069 -4.730 109 HB2 GLU 19 HB2 GLU 19 10.269 0.578 -5.444 110 HB3 GLU 19 HB3 GLU 19 10.094 1.964 -6.539 111 HG2 GLU 19 HG2 GLU 19 11.178 2.211 -3.704 112 HG3 GLU 19 HG3 GLU 19 12.203 1.989 -5.127 113 H SER 20 H SER 20 7.381 -0.234 -4.713 114 HA SER 20 HA SER 20 5.918 0.215 -7.211 115 HB2 SER 20 HB2 SER 20 5.947 -1.988 -5.105 116 HB3 SER 20 HB3 SER 20 4.963 -2.017 -6.577 117 HG SER 20 HG SER 20 7.794 -1.865 -6.418 118 H PHE 21 H PHE 21 5.478 0.733 -3.767 119 HA PHE 21 HA PHE 21 2.583 0.770 -3.783 120 HB2 PHE 21 HB2 PHE 21 4.204 0.474 -1.821 121 HB3 PHE 21 HB3 PHE 21 4.566 2.150 -1.944 122 HD1 PHE 21 HD2 PHE 21 2.365 3.765 -1.933 123 HD2 PHE 21 HD1 PHE 21 2.566 -0.192 -0.253 124 HE1 PHE 21 HE2 PHE 21 0.465 4.299 -0.437 125 HE2 PHE 21 HE1 PHE 21 0.680 0.356 1.249 126 HZ PHE 21 HZ PHE 21 -0.374 2.594 1.158 127 H THR 22 H THR 22 5.175 3.208 -3.913 128 HA THR 22 HA THR 22 3.400 5.469 -4.285 129 HB THR 22 HB THR 22 6.249 5.522 -5.186 130 HG1 THR 22 HG1 THR 22 6.416 4.291 -3.302 131 HG21 THR 22 HG21 THR 22 4.620 7.302 -3.311 132 HG22 THR 22 HG22 THR 22 6.237 7.666 -3.923 133 HG23 THR 22 HG23 THR 22 4.864 7.605 -5.054 134 H SER 23 H SER 23 4.324 2.950 -6.357 135 HA SER 23 HA SER 23 4.216 4.620 -8.773 136 HB2 SER 23 HB2 SER 23 4.524 1.660 -8.292 137 HB3 SER 23 HB3 SER 23 4.418 2.354 -9.916 138 HG SER 23 HG SER 23 6.436 2.784 -7.989 139 H LEU 24 H LEU 24 2.166 2.689 -6.723 140 HA LEU 24 HA LEU 24 0.029 2.513 -8.791 141 HB2 LEU 24 HB2 LEU 24 0.565 1.031 -6.188 142 HB3 LEU 24 HB3 LEU 24 -0.923 0.872 -7.129 143 HG LEU 24 HG LEU 24 1.874 0.286 -8.214 144 HD11 LEU 24 HD11 LEU 24 1.254 -1.304 -6.429 145 HD12 LEU 24 HD12 LEU 24 -0.305 -1.609 -7.237 146 HD13 LEU 24 HD13 LEU 24 1.217 -2.095 -8.014 147 HD21 LEU 24 HD21 LEU 24 0.265 0.858 -9.983 148 HD22 LEU 24 HD22 LEU 24 0.609 -0.878 -10.014 149 HD23 LEU 24 HD23 LEU 24 -0.914 -0.297 -9.310 150 H THR 25 H THR 25 0.992 4.107 -5.878 151 HA THR 25 HA THR 25 -1.605 5.530 -5.919 152 HB THR 25 HB THR 25 -1.443 5.898 -3.506 153 HG1 THR 25 HG1 THR 25 0.782 4.154 -3.677 154 HG21 THR 25 HG21 THR 25 -1.247 2.940 -4.208 155 HG22 THR 25 HG22 THR 25 -1.947 3.623 -2.724 156 HG23 THR 25 HG23 THR 25 -2.714 3.938 -4.291 157 H LYS 26 H LYS 26 -1.295 7.825 -5.040 158 HA LYS 26 HA LYS 26 1.353 8.810 -5.996 159 HB2 LYS 26 HB2 LYS 26 -1.353 10.171 -6.183 160 HB3 LYS 26 HB3 LYS 26 0.183 10.842 -6.744 161 HG2 LYS 26 HG2 LYS 26 -1.183 8.330 -7.789 162 HG3 LYS 26 HG3 LYS 26 -1.040 9.880 -8.625 163 HD2 LYS 26 HD2 LYS 26 1.262 8.017 -7.901 164 HD3 LYS 26 HD3 LYS 26 0.584 8.265 -9.507 165 HE2 LYS 26 HE2 LYS 26 1.245 10.647 -9.426 166 HE3 LYS 26 HE3 LYS 26 1.922 10.410 -7.799 167 HZ1 LYS 26 HZ1 LYS 26 3.455 8.818 -8.748 168 HZ2 LYS 26 HZ2 LYS 26 2.836 9.062 -10.251 169 HZ3 LYS 26 HZ3 LYS 26 3.617 10.285 -9.475 170 H CYS 27 H CYS 27 0.479 8.013 -3.223 171 HA CYS 27 HA CYS 27 0.630 10.554 -1.768 172 HB2 CYS 27 HB2 CYS 27 -0.673 8.502 -1.042 173 HB3 CYS 27 HB3 CYS 27 0.880 7.726 -0.661 174 HG CYS 27 HG CYS 27 -0.346 10.605 0.418 175 H ASP 28 H ASP 28 2.378 10.190 0.226 176 HA ASP 28 HA ASP 28 4.947 10.419 -1.128 177 HB2 ASP 28 HB2 ASP 28 4.032 10.740 1.747 178 HB3 ASP 28 HB3 ASP 28 5.682 11.043 1.189 179 HA PRO 29 HA PRO 29 6.463 6.326 -0.285 180 HB2 PRO 29 HB2 PRO 29 8.942 7.826 0.583 181 HB3 PRO 29 HB3 PRO 29 8.836 6.393 -0.469 182 HG2 PRO 29 HG2 PRO 29 9.209 8.845 -1.577 183 HG3 PRO 29 HG3 PRO 29 7.909 7.812 -2.277 184 HD2 PRO 29 HD2 PRO 29 7.641 9.978 -0.155 185 HD3 PRO 29 HD3 PRO 29 6.694 9.804 -1.665 186 H LYS 30 H LYS 30 6.766 8.970 1.971 187 HA LYS 30 HA LYS 30 7.725 7.486 4.199 188 HB2 LYS 30 HB2 LYS 30 6.332 10.168 3.815 189 HB3 LYS 30 HB3 LYS 30 6.957 9.655 5.402 190 HG2 LYS 30 HG2 LYS 30 8.594 10.010 2.854 191 HG3 LYS 30 HG3 LYS 30 8.514 11.161 4.194 192 HD2 LYS 30 HD2 LYS 30 9.611 8.319 4.364 193 HD3 LYS 30 HD3 LYS 30 10.553 9.814 4.313 194 HE2 LYS 30 HE2 LYS 30 9.452 10.562 6.421 195 HE3 LYS 30 HE3 LYS 30 8.569 9.029 6.485 196 HZ1 LYS 30 HZ1 LYS 30 10.539 8.984 7.844 197 HZ2 LYS 30 HZ2 LYS 30 10.669 7.887 6.630 198 HZ3 LYS 30 HZ3 LYS 30 11.500 9.304 6.549 199 H VAL 31 H VAL 31 4.617 7.735 2.728 200 HA VAL 31 HA VAL 31 3.207 6.811 5.176 201 HB VAL 31 HB VAL 31 2.197 7.564 2.403 202 HG11 VAL 31 HG11 VAL 31 -0.032 7.535 3.501 203 HG12 VAL 31 HG12 VAL 31 0.717 5.929 3.449 204 HG13 VAL 31 HG13 VAL 31 0.718 6.861 4.967 205 HG21 VAL 31 HG21 VAL 31 3.061 9.497 3.684 206 HG22 VAL 31 HG22 VAL 31 1.286 9.543 3.600 207 HG23 VAL 31 HG23 VAL 31 2.094 9.008 5.090 208 H SER 32 H SER 32 4.566 5.733 2.094 209 HA SER 32 HA SER 32 3.181 3.220 1.973 210 HB2 SER 32 HB2 SER 32 5.939 3.941 0.915 211 HB3 SER 32 HB3 SER 32 4.853 2.666 0.305 212 HG SER 32 HG SER 32 3.373 4.353 -0.226 213 H ARG 33 H ARG 33 6.098 4.411 3.581 214 HA ARG 33 HA ARG 33 6.999 1.825 4.514 215 HB2 ARG 33 HB2 ARG 33 8.347 3.989 4.075 216 HB3 ARG 33 HB3 ARG 33 7.694 4.576 5.611 217 HG2 ARG 33 HG2 ARG 33 8.719 2.501 6.704 218 HG3 ARG 33 HG3 ARG 33 9.482 2.150 5.139 219 HD2 ARG 33 HD2 ARG 33 9.836 4.677 6.797 220 HD3 ARG 33 HD3 ARG 33 11.007 3.364 6.669 221 HE ARG 33 HE ARG 33 10.374 5.400 4.626 222 HH11 ARG 33 HH11 ARG 33 12.032 2.347 5.333 223 HH12 ARG 33 HH12 ARG 33 13.232 2.582 4.092 224 HH21 ARG 33 HH21 ARG 33 11.897 5.631 2.957 225 HH22 ARG 33 HH22 ARG 33 13.114 4.408 2.702 226 H LYS 34 H LYS 34 4.233 3.337 5.231 227 HA LYS 34 HA LYS 34 4.293 2.573 8.122 228 HB2 LYS 34 HB2 LYS 34 4.090 4.989 7.828 229 HB3 LYS 34 HB3 LYS 34 2.843 4.777 6.597 230 HG2 LYS 34 HG2 LYS 34 1.341 3.775 8.356 231 HG3 LYS 34 HG3 LYS 34 2.565 4.245 9.568 232 HD2 LYS 34 HD2 LYS 34 2.408 6.598 8.795 233 HD3 LYS 34 HD3 LYS 34 1.240 6.125 7.558 234 HE2 LYS 34 HE2 LYS 34 0.841 5.958 10.565 235 HE3 LYS 34 HE3 LYS 34 0.089 7.111 9.443 236 HZ1 LYS 34 HZ1 LYS 34 -0.326 4.195 9.407 237 HZ2 LYS 34 HZ2 LYS 34 -1.389 5.311 9.982 238 HZ3 LYS 34 HZ3 LYS 34 -1.021 5.277 8.382 239 H TYR 35 H TYR 35 2.684 2.258 4.990 240 HA TYR 35 HA TYR 35 0.590 0.565 6.262 241 HB2 TYR 35 HB2 TYR 35 0.744 2.065 3.641 242 HB3 TYR 35 HB3 TYR 35 -0.378 0.722 3.866 243 HD1 TYR 35 HD2 TYR 35 0.464 4.142 5.012 244 HD2 TYR 35 HD1 TYR 35 -2.320 0.875 5.238 245 HE1 TYR 35 HE2 TYR 35 -1.172 5.626 6.148 246 HE2 TYR 35 HE1 TYR 35 -3.961 2.347 6.377 247 HH TYR 35 HH TYR 35 -4.364 4.433 7.248 248 H LEU 36 H LEU 36 3.618 0.233 4.785 249 HA LEU 36 HA LEU 36 2.950 -2.566 3.973 250 HB2 LEU 36 HB2 LEU 36 5.379 -0.736 3.743 251 HB3 LEU 36 HB3 LEU 36 5.519 -2.472 3.480 252 HG LEU 36 HG LEU 36 3.492 -0.813 1.949 253 HD11 LEU 36 HD11 LEU 36 6.381 -1.474 1.222 254 HD12 LEU 36 HD12 LEU 36 5.178 -0.767 0.116 255 HD13 LEU 36 HD13 LEU 36 5.722 0.144 1.536 256 HD21 LEU 36 HD21 LEU 36 3.288 -3.339 2.050 257 HD22 LEU 36 HD22 LEU 36 3.610 -2.724 0.417 258 HD23 LEU 36 HD23 LEU 36 4.925 -3.453 1.373 259 H GLN 37 H GLN 37 3.677 -0.737 6.652 260 HA GLN 37 HA GLN 37 5.644 -2.574 7.863 261 HB2 GLN 37 HB2 GLN 37 5.931 -0.068 7.622 262 HB3 GLN 37 HB3 GLN 37 4.561 0.140 8.708 263 HG2 GLN 37 HG2 GLN 37 6.144 0.362 10.235 264 HG3 GLN 37 HG3 GLN 37 6.132 -1.429 10.284 265 HE21 GLN 37 HE22 GLN 37 7.648 1.404 8.683 266 HE22 GLN 37 HE21 GLN 37 9.255 0.715 8.582 267 H ARG 38 H ARG 38 2.472 -2.558 7.521 268 HA ARG 38 HA ARG 38 1.896 -3.787 10.149 269 HB2 ARG 38 HB2 ARG 38 -0.300 -2.483 10.157 270 HB3 ARG 38 HB3 ARG 38 1.165 -1.545 10.494 271 HG2 ARG 38 HG2 ARG 38 1.189 -0.779 8.119 272 HG3 ARG 38 HG3 ARG 38 -0.300 -1.694 7.835 273 HD2 ARG 38 HD2 ARG 38 -0.058 0.476 9.948 274 HD3 ARG 38 HD3 ARG 38 -0.616 0.767 8.293 275 HE ARG 38 HE ARG 38 -2.513 -0.643 8.655 276 HH11 ARG 38 HH11 ARG 38 -0.721 0.118 11.610 277 HH12 ARG 38 HH12 ARG 38 -2.070 -0.262 12.657 278 HH21 ARG 38 HH21 ARG 38 -4.232 -1.133 10.030 279 HH22 ARG 38 HH22 ARG 38 -4.058 -0.959 11.763 280 H ASN 39 H ASN 39 2.224 -4.393 7.061 281 HA ASN 39 HA ASN 39 -0.077 -6.231 6.913 282 HB2 ASN 39 HB2 ASN 39 0.721 -4.214 4.774 283 HB3 ASN 39 HB3 ASN 39 -0.426 -5.523 4.523 284 HD21 ASN 39 HD22 ASN 39 -0.097 -2.317 5.334 285 HD22 ASN 39 HD21 ASN 39 -1.555 -2.019 6.242 286 H HIS 40 H HIS 40 2.678 -6.696 7.558 287 HA HIS 40 HA HIS 40 4.323 -8.160 7.095 288 HB2 HIS 40 HB2 HIS 40 2.468 -9.493 5.124 289 HB3 HIS 40 HB3 HIS 40 3.688 -10.243 6.157 290 HD2 HIS 40 HD2 HIS 40 2.500 -8.523 8.852 291 HE1 HIS 40 HE1 HIS 40 -0.858 -11.059 8.259 292 HE2 HIS 40 HE2 HIS 40 0.336 -9.529 9.915 293 H TRP 41 H TRP 41 4.058 -5.740 5.359 294 HA TRP 41 HA TRP 41 5.004 -4.801 3.579 295 HB2 TRP 41 HB2 TRP 41 7.104 -6.873 4.244 296 HB3 TRP 41 HB3 TRP 41 7.327 -5.606 3.047 297 HD1 TRP 41 HD1 TRP 41 6.724 -5.983 6.823 298 HE1 TRP 41 HE1 TRP 41 7.410 -3.807 7.993 299 HE3 TRP 41 HE3 TRP 41 7.960 -3.310 2.732 300 HZ2 TRP 41 HZ2 TRP 41 7.938 -1.054 7.163 301 HZ3 TRP 41 HZ3 TRP 41 8.617 -0.895 2.914 302 HH2 TRP 41 HH2 TRP 41 8.613 0.221 5.117 303 H ASN 42 H ASN 42 3.012 -6.906 2.964 304 HA ASN 42 HA ASN 42 3.835 -7.560 0.192 305 HB2 ASN 42 HB2 ASN 42 1.489 -8.276 1.989 306 HB3 ASN 42 HB3 ASN 42 1.384 -8.427 0.239 307 HD21 ASN 42 HD22 ASN 42 0.986 -10.735 0.950 308 HD22 ASN 42 HD21 ASN 42 2.406 -11.760 0.956 309 H ILE 43 H ILE 43 3.227 -6.282 -1.518 310 HA ILE 43 HA ILE 43 1.740 -3.857 -0.932 311 HB ILE 43 HB ILE 43 3.105 -5.055 -3.324 312 HG12 ILE 43 HG12 ILE 43 4.189 -3.583 -1.547 313 HG13 ILE 43 HG13 ILE 43 4.368 -2.966 -3.207 314 HG21 ILE 43 HG21 ILE 43 1.131 -2.735 -3.498 315 HG22 ILE 43 HG22 ILE 43 2.336 -3.136 -4.735 316 HG23 ILE 43 HG23 ILE 43 1.036 -4.287 -4.362 317 HD11 ILE 43 HD11 ILE 43 2.752 -1.286 -2.877 318 HD12 ILE 43 HD12 ILE 43 2.146 -2.024 -1.376 319 HD13 ILE 43 HD13 ILE 43 3.775 -1.331 -1.408 320 H ASN 44 H ASN 44 0.820 -7.084 -1.667 321 HA ASN 44 HA ASN 44 -1.707 -6.196 -2.871 322 HB2 ASN 44 HB2 ASN 44 -0.644 -8.960 -2.143 323 HB3 ASN 44 HB3 ASN 44 -2.144 -8.665 -3.031 324 HD21 ASN 44 HD22 ASN 44 0.283 -10.145 -3.871 325 HD22 ASN 44 HD21 ASN 44 0.821 -9.364 -5.347 326 H TYR 45 H TYR 45 -0.539 -6.202 0.168 327 HA TYR 45 HA TYR 45 -3.217 -6.656 1.400 328 HB2 TYR 45 HB2 TYR 45 -0.438 -7.537 2.216 329 HB3 TYR 45 HB3 TYR 45 -1.694 -7.365 3.410 330 HD1 TYR 45 HD1 TYR 45 -3.678 -8.798 3.410 331 HD2 TYR 45 HD2 TYR 45 -0.537 -9.354 0.537 332 HE1 TYR 45 HE1 TYR 45 -4.560 -11.067 2.891 333 HE2 TYR 45 HE2 TYR 45 -1.406 -11.624 0.006 334 HH TYR 45 HH TYR 45 -4.296 -12.971 1.637 335 H ALA 46 H ALA 46 -0.719 -4.503 0.665 336 HA ALA 46 HA ALA 46 -1.037 -2.875 3.122 337 HB1 ALA 46 HB1 ALA 46 0.879 -2.864 0.768 338 HB2 ALA 46 HB2 ALA 46 0.944 -1.694 2.107 339 HB3 ALA 46 HB3 ALA 46 1.213 -3.429 2.424 340 H LEU 47 H LEU 47 -1.686 -2.881 -0.389 341 HA LEU 47 HA LEU 47 -2.266 -0.044 -0.496 342 HB2 LEU 47 HB2 LEU 47 -2.823 -2.402 -2.339 343 HB3 LEU 47 HB3 LEU 47 -3.288 -0.735 -2.724 344 HG LEU 47 HG LEU 47 -0.445 -1.644 -2.186 345 HD11 LEU 47 HD11 LEU 47 -1.920 -0.898 -4.752 346 HD12 LEU 47 HD12 LEU 47 -0.177 -1.233 -4.625 347 HD13 LEU 47 HD13 LEU 47 -1.358 -2.528 -4.303 348 HD21 LEU 47 HD21 LEU 47 -1.629 1.009 -3.108 349 HD22 LEU 47 HD22 LEU 47 -0.747 0.712 -1.590 350 HD23 LEU 47 HD23 LEU 47 0.108 0.611 -3.135 351 H ASN 48 H ASN 48 -4.159 -3.002 0.125 352 HA ASN 48 HA ASN 48 -6.736 -1.768 -0.150 353 HB2 ASN 48 HB2 ASN 48 -6.070 -4.085 1.694 354 HB3 ASN 48 HB3 ASN 48 -7.587 -3.770 0.830 355 HD21 ASN 48 HD22 ASN 48 -4.264 -4.849 0.641 356 HD22 ASN 48 HD21 ASN 48 -4.327 -5.528 -0.971 357 H ASP 49 H ASP 49 -4.440 -2.158 2.502 358 HA ASP 49 HA ASP 49 -6.142 -1.178 4.595 359 HB2 ASP 49 HB2 ASP 49 -3.910 -2.465 4.725 360 HB3 ASP 49 HB3 ASP 49 -3.110 -0.936 4.393 361 H TYR 50 H TYR 50 -4.097 0.386 2.186 362 HA TYR 50 HA TYR 50 -4.413 3.061 3.310 363 HB2 TYR 50 HB2 TYR 50 -2.460 2.364 1.978 364 HB3 TYR 50 HB3 TYR 50 -3.495 2.058 0.587 365 HD1 TYR 50 HD1 TYR 50 -2.000 4.701 2.715 366 HD2 TYR 50 HD2 TYR 50 -4.367 3.833 -0.770 367 HE1 TYR 50 HE1 TYR 50 -1.772 7.064 1.962 368 HE2 TYR 50 HE2 TYR 50 -4.170 6.190 -1.508 369 HH TYR 50 HH TYR 50 -2.367 8.627 0.404 370 H TYR 51 H TYR 51 -5.996 1.044 0.851 371 HA TYR 51 HA TYR 51 -7.731 3.161 -0.109 372 HB2 TYR 51 HB2 TYR 51 -7.935 0.141 -0.379 373 HB3 TYR 51 HB3 TYR 51 -8.908 1.318 -1.264 374 HD1 TYR 51 HD2 TYR 51 -6.705 3.365 -1.801 375 HD2 TYR 51 HD1 TYR 51 -6.824 -0.919 -2.209 376 HE1 TYR 51 HE2 TYR 51 -4.990 3.497 -3.561 377 HE2 TYR 51 HE1 TYR 51 -5.108 -0.796 -4.000 378 HH TYR 51 HH TYR 51 -3.782 0.566 -5.267 379 H ASP 52 H ASP 52 -7.656 1.454 2.804 380 HA ASP 52 HA ASP 52 -10.589 1.593 3.204 381 HB2 ASP 52 HB2 ASP 52 -8.247 0.431 4.755 382 HB3 ASP 52 HB3 ASP 52 -9.874 0.517 5.406 383 H LYS 53 H LYS 53 -7.527 3.143 4.122 384 HA LYS 53 HA LYS 53 -8.989 4.702 6.207 385 HB2 LYS 53 HB2 LYS 53 -6.156 3.647 6.179 386 HB3 LYS 53 HB3 LYS 53 -6.863 4.669 7.449 387 HG2 LYS 53 HG2 LYS 53 -8.593 2.976 7.895 388 HG3 LYS 53 HG3 LYS 53 -7.919 1.932 6.619 389 HD2 LYS 53 HD2 LYS 53 -5.767 1.851 7.794 390 HD3 LYS 53 HD3 LYS 53 -6.418 2.908 9.070 391 HE2 LYS 53 HE2 LYS 53 -6.491 0.586 9.828 392 HE3 LYS 53 HE3 LYS 53 -8.140 1.194 9.596 393 HZ1 LYS 53 HZ1 LYS 53 -8.184 0.081 7.476 394 HZ2 LYS 53 HZ2 LYS 53 -6.650 -0.474 7.685 395 HZ3 LYS 53 HZ3 LYS 53 -7.857 -0.997 8.671 396 H GLU 54 H GLU 54 -7.267 5.026 3.245 397 HA GLU 54 HA GLU 54 -6.912 7.927 3.789 398 HB2 GLU 54 HB2 GLU 54 -4.865 6.070 2.524 399 HB3 GLU 54 HB3 GLU 54 -4.736 7.828 2.544 400 HG2 GLU 54 HG2 GLU 54 -4.809 6.045 5.009 401 HG3 GLU 54 HG3 GLU 54 -3.366 6.774 4.304 402 H ILE 55 H ILE 55 -8.668 5.864 2.043 403 HA ILE 55 HA ILE 55 -7.982 6.469 -0.631 404 HB ILE 55 HB ILE 55 -9.326 4.549 0.098 405 HG12 ILE 55 HG12 ILE 55 -10.764 6.340 -1.887 406 HG13 ILE 55 HG13 ILE 55 -9.311 5.387 -2.238 407 HG21 ILE 55 HG21 ILE 55 -11.702 4.802 0.657 408 HG22 ILE 55 HG22 ILE 55 -10.712 5.729 1.798 409 HG23 ILE 55 HG23 ILE 55 -11.581 6.564 0.496 410 HD11 ILE 55 HD11 ILE 55 -12.019 4.257 -1.389 411 HD12 ILE 55 HD12 ILE 55 -11.300 4.184 -3.005 412 HD13 ILE 55 HD13 ILE 55 -10.539 3.305 -1.663 413 H GLY 56 H GLY 56 -8.844 7.966 -2.125 414 HA2 GLY 56 HA2 GLY 56 -9.422 10.546 -0.921 415 HA3 GLY 56 HA3 GLY 56 -9.172 10.190 -2.644 416 H THR 57 H THR 57 -11.449 7.980 -1.959 417 HA THR 57 HA THR 57 -13.800 9.718 -1.831 418 HB THR 57 HB THR 57 -13.110 9.914 -4.191 419 HG1 THR 57 HG1 THR 57 -15.120 9.243 -5.012 420 HG21 THR 57 HG21 THR 57 -13.231 7.960 -5.681 421 HG22 THR 57 HG22 THR 57 -11.980 7.714 -4.441 422 HG23 THR 57 HG23 THR 57 -13.551 6.895 -4.294 423 H PHE 58 H PHE 58 -15.835 8.418 -1.973 424 HA PHE 58 HA PHE 58 -15.410 5.640 -0.989 425 HB2 PHE 58 HB2 PHE 58 -17.454 7.709 -0.130 426 HB3 PHE 58 HB3 PHE 58 -17.405 6.023 0.412 427 HD1 PHE 58 HD2 PHE 58 -15.516 5.196 1.783 428 HD2 PHE 58 HD1 PHE 58 -15.867 9.331 0.687 429 HE1 PHE 58 HE2 PHE 58 -13.827 5.784 3.491 430 HE2 PHE 58 HE1 PHE 58 -14.197 9.936 2.428 431 HZ PHE 58 HZ PHE 58 -13.171 8.159 3.835 432 H THR 59 H THR 59 -16.302 7.293 -3.606 433 HA THR 59 HA THR 59 -18.213 5.212 -4.486 434 HB THR 59 HB THR 59 -19.588 7.081 -3.708 435 HG1 THR 59 HG1 THR 59 -20.704 7.330 -5.665 436 HG21 THR 59 HG21 THR 59 -18.123 8.711 -5.828 437 HG22 THR 59 HG22 THR 59 -19.535 9.246 -4.886 438 HG23 THR 59 HG23 THR 59 -17.989 8.938 -4.066 439 H ASP 60 H ASP 60 -18.536 5.306 -6.887 440 HA ASP 60 HA ASP 60 -16.157 6.378 -8.298 441 HB2 ASP 60 HB2 ASP 60 -15.886 4.282 -9.506 442 HB3 ASP 60 HB3 ASP 60 -15.751 3.995 -7.772 443 H GLU 61 H GLU 61 -19.288 6.825 -8.019 444 HA GLU 61 HA GLU 61 -19.571 7.451 -10.881 445 HB2 GLU 61 HB2 GLU 61 -21.827 6.476 -10.980 446 HB3 GLU 61 HB3 GLU 61 -20.612 5.236 -10.624 447 HG2 GLU 61 HG2 GLU 61 -21.193 5.366 -8.222 448 HG3 GLU 61 HG3 GLU 61 -22.409 6.607 -8.580 449 H VAL 62 H VAL 62 -21.501 8.857 -11.283 450 HA VAL 62 HA VAL 62 -22.272 10.509 -8.939 451 HB VAL 62 HB VAL 62 -21.139 11.579 -11.559 452 HG11 VAL 62 HG11 VAL 62 -22.186 13.000 -9.069 453 HG12 VAL 62 HG12 VAL 62 -21.393 13.787 -10.453 454 HG13 VAL 62 HG13 VAL 62 -22.962 12.994 -10.673 455 HG21 VAL 62 HG21 VAL 62 -20.074 11.663 -8.701 456 HG22 VAL 62 HG22 VAL 62 -19.369 10.758 -10.057 457 HG23 VAL 62 HG23 VAL 62 -19.371 12.526 -10.092
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