NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25433 | 2k8s | 15347 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 HT1 VAL 1 32.592 16.336 -13.644 2 H2 VAL 1 HT2 VAL 1 33.212 15.059 -12.721 3 H3 VAL 1 HT3 VAL 1 34.053 16.529 -12.801 4 HA VAL 1 HA VAL 1 32.875 16.249 -10.697 5 HB VAL 1 HB VAL 1 31.613 18.405 -10.736 6 HG11 VAL 1 HG11 VAL 1 34.006 18.378 -10.325 7 HG12 VAL 1 HG12 VAL 1 33.557 19.807 -11.255 8 HG13 VAL 1 HG13 VAL 1 34.322 18.436 -12.059 9 HG21 VAL 1 HG21 VAL 1 31.622 19.743 -12.789 10 HG22 VAL 1 HG22 VAL 1 30.692 18.258 -12.989 11 HG23 VAL 1 HG23 VAL 1 32.313 18.382 -13.671 12 H ALA 2 HN ALA 2 30.665 16.680 -9.706 13 HA ALA 2 HA ALA 2 28.386 15.799 -11.241 14 HB1 ALA 2 HB1 ALA 2 29.407 14.106 -8.955 15 HB2 ALA 2 HB2 ALA 2 29.411 13.654 -10.661 16 HB3 ALA 2 HB3 ALA 2 27.882 13.874 -9.810 17 H SER 3 HN SER 3 26.448 15.565 -9.626 18 HA SER 3 HA SER 3 26.345 17.994 -8.101 19 HB2 SER 3 HB2 SER 3 24.325 15.751 -8.370 20 HB3 SER 3 HB1 SER 3 24.012 17.333 -7.653 21 HG SER 3 HG SER 3 23.717 16.701 -10.151 22 H LYS 4 HN LYS 4 25.496 17.969 -5.822 23 HA LYS 4 HA LYS 4 27.037 15.983 -4.306 24 HB2 LYS 4 HB2 LYS 4 27.826 18.253 -4.015 25 HB3 LYS 4 HB1 LYS 4 26.207 18.803 -3.612 26 HG2 LYS 4 HG2 LYS 4 26.243 17.595 -1.546 27 HG3 LYS 4 HG1 LYS 4 27.773 16.821 -1.974 28 HD2 LYS 4 HD2 LYS 4 27.400 19.797 -1.632 29 HD3 LYS 4 HD1 LYS 4 28.014 18.719 -0.376 30 HE2 LYS 4 HE2 LYS 4 29.274 18.992 -3.099 31 HE3 LYS 4 HE1 LYS 4 29.766 19.946 -1.702 32 HZ1 LYS 4 HZ1 LYS 4 30.635 18.115 -0.645 33 HZ2 LYS 4 HZ2 LYS 4 31.008 17.762 -2.262 34 HZ3 LYS 4 HZ3 LYS 4 29.688 17.004 -1.507 35 H ALA 5 HN ALA 5 26.001 14.568 -3.090 36 HA ALA 5 HA ALA 5 23.359 15.263 -2.009 37 HB1 ALA 5 HB1 ALA 5 24.065 12.599 -3.246 38 HB2 ALA 5 HB2 ALA 5 23.016 13.818 -3.968 39 HB3 ALA 5 HB3 ALA 5 22.536 13.015 -2.473 40 H ILE 6 HN ILE 6 23.925 15.495 0.084 41 HA ILE 6 HA ILE 6 25.813 13.594 1.265 42 HB ILE 6 HB ILE 6 24.639 16.009 2.642 43 HG12 ILE 6 HG12 ILE 6 27.170 15.895 0.980 44 HG13 ILE 6 HG11 ILE 6 25.685 16.713 0.503 45 HG21 ILE 6 HG21 ILE 6 26.716 15.873 3.952 46 HG22 ILE 6 HG22 ILE 6 27.190 14.444 3.031 47 HG23 ILE 6 HG23 ILE 6 25.763 14.394 4.067 48 HD11 ILE 6 HD11 ILE 6 25.914 18.234 2.396 49 HD12 ILE 6 HD12 ILE 6 27.335 18.284 1.352 50 HD13 ILE 6 HD13 ILE 6 27.395 17.409 2.883 51 H PHE 7 HN PHE 7 25.140 11.970 2.511 52 HA PHE 7 HA PHE 7 22.284 11.911 3.223 53 HB2 PHE 7 HB2 PHE 7 23.214 10.202 1.593 54 HB3 PHE 7 HB1 PHE 7 24.141 9.545 2.935 55 HD1 PHE 7 HD2 PHE 7 20.683 10.282 1.820 56 HD2 PHE 7 HD1 PHE 7 23.189 7.971 4.366 57 HE1 PHE 7 HE2 PHE 7 18.759 8.879 2.433 58 HE2 PHE 7 HE1 PHE 7 21.269 6.562 4.982 59 HZ PHE 7 HZ PHE 7 19.051 7.015 4.016 60 H TYR 8 HN TYR 8 22.118 12.601 5.275 61 HA TYR 8 HA TYR 8 24.073 11.731 7.276 62 HB2 TYR 8 HB2 TYR 8 21.845 13.763 7.329 63 HB3 TYR 8 HB1 TYR 8 22.690 13.264 8.785 64 HD1 TYR 8 HD1 TYR 8 23.138 14.919 5.498 65 HD2 TYR 8 HD2 TYR 8 24.772 14.200 9.357 66 HE1 TYR 8 HE1 TYR 8 24.819 16.669 5.108 67 HE2 TYR 8 HE2 TYR 8 26.466 15.941 8.974 68 HH TYR 8 HH TYR 8 27.499 17.184 7.284 69 H HIS 9 HN HIS 9 23.664 10.104 8.663 70 HA HIS 9 HA HIS 9 21.032 9.765 9.747 71 HB2 HIS 9 HB2 HIS 9 20.574 7.533 9.068 72 HB3 HIS 9 HB1 HIS 9 20.921 8.445 7.608 73 HD2 HIS 9 HD2 HIS 9 23.309 7.743 6.297 74 HE1 HIS 9 HE1 HIS 9 23.811 4.196 8.547 75 HE2 HIS 9 HE2 HIS 9 24.325 5.351 6.350 76 H ALA 10 HN ALA 10 21.006 8.119 11.496 77 HA ALA 10 HA ALA 10 23.612 8.220 12.842 78 HB1 ALA 10 HB1 ALA 10 20.854 7.866 14.009 79 HB2 ALA 10 HB2 ALA 10 21.774 9.370 13.958 80 HB3 ALA 10 HB3 ALA 10 22.356 8.013 14.922 81 H GLY 11 HN GLY 11 22.359 6.068 10.942 82 HA2 GLY 11 HA2 GLY 11 22.887 3.814 10.740 83 HA3 GLY 11 HA1 GLY 11 23.496 3.837 12.387 84 H CYS 12 HN CYS 12 20.401 5.158 12.092 85 HA CYS 12 HA CYS 12 19.182 3.142 13.654 86 HB2 CYS 12 HB2 CYS 12 17.791 5.233 11.968 87 HB3 CYS 12 HB1 CYS 12 17.159 4.424 13.399 88 HG CYS 12 HG CYS 12 19.050 5.622 15.129 89 HA PRO 13 HA PRO 13 17.899 -0.000 10.841 90 HB2 PRO 13 HB2 PRO 13 15.143 0.455 11.897 91 HB3 PRO 13 HB1 PRO 13 16.052 -1.052 11.741 92 HG2 PRO 13 HG2 PRO 13 15.782 0.100 14.114 93 HG3 PRO 13 HG1 PRO 13 17.325 -0.636 13.639 94 HD2 PRO 13 HD2 PRO 13 16.560 2.244 13.777 95 HD3 PRO 13 HD1 PRO 13 18.116 1.469 14.141 96 H VAL 14 HN VAL 14 15.519 2.625 11.116 97 HA VAL 14 HA VAL 14 14.381 2.337 8.564 98 HB VAL 14 HB VAL 14 14.603 4.892 10.166 99 HG11 VAL 14 HG11 VAL 14 12.509 5.493 9.040 100 HG12 VAL 14 HG12 VAL 14 12.593 4.000 8.102 101 HG13 VAL 14 HG13 VAL 14 13.826 5.245 7.894 102 HG21 VAL 14 HG21 VAL 14 12.447 4.263 11.161 103 HG22 VAL 14 HG22 VAL 14 13.723 3.116 11.571 104 HG23 VAL 14 HG23 VAL 14 12.531 2.706 10.337 105 H CYS 15 HN CYS 15 17.184 4.104 9.711 106 HA CYS 15 HA CYS 15 17.652 5.613 7.357 107 HB2 CYS 15 HB2 CYS 15 19.640 4.724 9.456 108 HB3 CYS 15 HB1 CYS 15 19.857 6.033 8.300 109 HG CYS 15 HG CYS 15 17.492 7.368 9.457 110 H VAL 16 HN VAL 16 18.810 2.489 8.537 111 HA VAL 16 HA VAL 16 20.643 1.929 6.496 112 HB VAL 16 HB VAL 16 18.948 -0.022 8.071 113 HG11 VAL 16 HG11 VAL 16 21.499 -0.470 6.524 114 HG12 VAL 16 HG12 VAL 16 19.897 -1.059 6.082 115 HG13 VAL 16 HG13 VAL 16 20.687 -1.663 7.539 116 HG21 VAL 16 HG21 VAL 16 20.271 1.413 9.520 117 HG22 VAL 16 HG22 VAL 16 21.724 1.040 8.592 118 HG23 VAL 16 HG23 VAL 16 20.921 -0.226 9.519 119 H SER 17 HN SER 17 17.159 1.376 6.714 120 HA SER 17 HA SER 17 16.829 -0.096 4.355 121 HB2 SER 17 HB2 SER 17 14.876 1.873 5.571 122 HB3 SER 17 HB1 SER 17 14.485 0.524 4.503 123 HG SER 17 HG SER 17 15.538 -0.796 6.230 124 H ALA 18 HN ALA 18 16.784 3.407 4.927 125 HA ALA 18 HA ALA 18 16.162 4.089 2.235 126 HB1 ALA 18 HB1 ALA 18 16.672 6.371 2.886 127 HB2 ALA 18 HB2 ALA 18 17.420 5.798 4.377 128 HB3 ALA 18 HB3 ALA 18 15.688 5.584 4.119 129 H GLU 19 HN GLU 19 19.176 3.791 4.053 130 HA GLU 19 HA GLU 19 20.891 4.817 2.058 131 HB2 GLU 19 HB2 GLU 19 21.568 4.524 4.411 132 HB3 GLU 19 HB1 GLU 19 21.479 2.779 4.218 133 HG2 GLU 19 HG2 GLU 19 23.243 2.953 2.469 134 HG3 GLU 19 HG1 GLU 19 23.397 4.662 2.871 135 H GLN 20 HN GLN 20 19.970 1.495 2.887 136 HA GLN 20 HA GLN 20 21.562 0.215 0.958 137 HB2 GLN 20 HB2 GLN 20 20.695 -0.969 2.876 138 HB3 GLN 20 HB1 GLN 20 19.041 -0.678 2.361 139 HG2 GLN 20 HG2 GLN 20 19.392 -2.092 0.409 140 HG3 GLN 20 HG1 GLN 20 21.062 -2.367 0.904 141 HE21 GLN 20 HE21 GLN 20 20.373 -2.487 3.728 142 HE22 GLN 20 HE22 GLN 20 19.629 -4.032 3.979 143 H ALA 21 HN ALA 21 18.277 1.482 0.796 144 HA ALA 21 HA ALA 21 17.925 0.322 -1.855 145 HB1 ALA 21 HB1 ALA 21 16.080 0.165 -0.257 146 HB2 ALA 21 HB2 ALA 21 15.626 1.072 -1.699 147 HB3 ALA 21 HB3 ALA 21 15.988 1.926 -0.200 148 H VAL 22 HN VAL 22 17.302 3.564 -0.484 149 HA VAL 22 HA VAL 22 17.140 4.726 -3.075 150 HB VAL 22 HB VAL 22 17.421 6.141 -0.421 151 HG11 VAL 22 HG11 VAL 22 16.296 8.003 -1.584 152 HG12 VAL 22 HG12 VAL 22 16.387 7.090 -3.090 153 HG13 VAL 22 HG13 VAL 22 17.866 7.614 -2.287 154 HG21 VAL 22 HG21 VAL 22 15.526 4.627 -0.374 155 HG22 VAL 22 HG22 VAL 22 14.941 5.276 -1.905 156 HG23 VAL 22 HG23 VAL 22 14.965 6.297 -0.467 157 H ALA 23 HN ALA 23 19.582 4.968 -0.482 158 HA ALA 23 HA ALA 23 21.210 6.808 -1.904 159 HB1 ALA 23 HB1 ALA 23 22.872 6.416 -0.178 160 HB2 ALA 23 HB2 ALA 23 21.979 5.001 0.382 161 HB3 ALA 23 HB3 ALA 23 21.269 6.609 0.532 162 H ASN 24 HN ASN 24 20.899 3.382 -2.086 163 HA ASN 24 HA ASN 24 23.444 3.128 -3.495 164 HB2 ASN 24 HB2 ASN 24 21.442 1.144 -2.473 165 HB3 ASN 24 HB1 ASN 24 22.585 0.671 -3.724 166 HD21 ASN 24 HD21 ASN 24 23.276 2.954 -1.142 167 HD22 ASN 24 HD22 ASN 24 24.450 1.968 -0.336 168 H ALA 25 HN ALA 25 20.141 3.640 -4.146 169 HA ALA 25 HA ALA 25 20.195 2.635 -6.846 170 HB1 ALA 25 HB1 ALA 25 18.201 4.453 -5.493 171 HB2 ALA 25 HB2 ALA 25 18.095 2.695 -5.594 172 HB3 ALA 25 HB3 ALA 25 17.989 3.670 -7.060 173 H ILE 26 HN ILE 26 21.043 5.529 -5.214 174 HA ILE 26 HA ILE 26 21.013 7.212 -7.551 175 HB ILE 26 HB ILE 26 22.344 7.657 -4.870 176 HG12 ILE 26 HG12 ILE 26 19.690 8.671 -5.920 177 HG13 ILE 26 HG11 ILE 26 19.885 7.392 -4.726 178 HG21 ILE 26 HG21 ILE 26 21.728 9.584 -7.106 179 HG22 ILE 26 HG22 ILE 26 23.328 9.023 -6.623 180 HG23 ILE 26 HG23 ILE 26 22.375 10.022 -5.525 181 HD11 ILE 26 HD11 ILE 26 19.303 9.492 -3.670 182 HD12 ILE 26 HD12 ILE 26 20.713 10.265 -4.393 183 HD13 ILE 26 HD13 ILE 26 20.925 8.987 -3.197 184 H ASP 27 HN ASP 27 22.606 7.473 -8.984 185 HA ASP 27 HA ASP 27 24.972 5.813 -8.705 186 HB2 ASP 27 HB2 ASP 27 25.380 6.422 -11.086 187 HB3 ASP 27 HB1 ASP 27 23.813 5.663 -10.826 188 HA PRO 28 HA PRO 28 27.497 9.222 -7.404 189 HB2 PRO 28 HB2 PRO 28 29.747 7.605 -8.410 190 HB3 PRO 28 HB1 PRO 28 29.415 8.173 -6.771 191 HG2 PRO 28 HG2 PRO 28 29.152 5.590 -7.439 192 HG3 PRO 28 HG1 PRO 28 28.061 6.368 -6.275 193 HD2 PRO 28 HD2 PRO 28 27.602 5.721 -9.165 194 HD3 PRO 28 HD1 PRO 28 26.501 5.549 -7.780 195 H SER 29 HN SER 29 27.084 8.152 -10.562 196 HA SER 29 HA SER 29 29.036 9.766 -11.871 197 HB2 SER 29 HB2 SER 29 26.448 8.671 -12.994 198 HB3 SER 29 HB1 SER 29 27.868 9.180 -13.908 199 HG SER 29 HG SER 29 28.758 7.421 -12.208 200 H LYS 30 HN LYS 30 25.533 10.094 -11.284 201 HA LYS 30 HA LYS 30 25.631 12.870 -12.135 202 HB2 LYS 30 HB2 LYS 30 23.404 11.055 -11.251 203 HB3 LYS 30 HB1 LYS 30 23.160 12.788 -11.425 204 HG2 LYS 30 HG2 LYS 30 23.890 12.609 -13.782 205 HG3 LYS 30 HG1 LYS 30 23.985 10.858 -13.580 206 HD2 LYS 30 HD2 LYS 30 21.489 12.478 -13.088 207 HD3 LYS 30 HD1 LYS 30 21.859 11.687 -14.623 208 HE2 LYS 30 HE2 LYS 30 21.502 10.342 -11.947 209 HE3 LYS 30 HE1 LYS 30 20.362 10.316 -13.291 210 HZ1 LYS 30 HZ1 LYS 30 22.367 9.322 -14.571 211 HZ2 LYS 30 HZ2 LYS 30 21.448 8.335 -13.543 212 HZ3 LYS 30 HZ3 LYS 30 22.947 8.937 -13.019 213 H TYR 31 HN TYR 31 25.127 11.032 -9.145 214 HA TYR 31 HA TYR 31 25.402 13.567 -7.673 215 HB2 TYR 31 HB2 TYR 31 23.455 11.320 -7.179 216 HB3 TYR 31 HB1 TYR 31 23.859 12.504 -5.942 217 HD1 TYR 31 HD1 TYR 31 22.402 12.131 -9.337 218 HD2 TYR 31 HD2 TYR 31 22.831 14.617 -5.912 219 HE1 TYR 31 HE1 TYR 31 20.695 13.654 -10.236 220 HE2 TYR 31 HE2 TYR 31 21.126 16.146 -6.801 221 HH TYR 31 HH TYR 31 20.106 16.764 -8.866 222 H THR 32 HN THR 32 27.085 13.580 -6.387 223 HA THR 32 HA THR 32 28.450 11.149 -5.647 224 HB THR 32 HB THR 32 28.983 13.973 -4.694 225 HG1 THR 32 HG1 THR 32 29.268 14.091 -6.859 226 HG21 THR 32 HG21 THR 32 31.263 13.135 -4.309 227 HG22 THR 32 HG22 THR 32 30.750 11.523 -4.810 228 HG23 THR 32 HG23 THR 32 30.077 12.250 -3.351 229 H VAL 33 HN VAL 33 27.502 9.927 -4.137 230 HA VAL 33 HA VAL 33 25.826 11.063 -2.088 231 HB VAL 33 HB VAL 33 26.708 8.188 -2.411 232 HG11 VAL 33 HG11 VAL 33 24.396 9.411 -0.907 233 HG12 VAL 33 HG12 VAL 33 25.834 8.673 -0.200 234 HG13 VAL 33 HG13 VAL 33 24.689 7.683 -1.104 235 HG21 VAL 33 HG21 VAL 33 24.243 9.564 -3.478 236 HG22 VAL 33 HG22 VAL 33 24.568 7.832 -3.553 237 HG23 VAL 33 HG23 VAL 33 25.597 8.962 -4.435 238 H GLU 34 HN GLU 34 26.791 12.059 -0.456 239 HA GLU 34 HA GLU 34 29.206 10.867 0.724 240 HB2 GLU 34 HB2 GLU 34 28.036 13.645 1.002 241 HB3 GLU 34 HB1 GLU 34 29.494 13.084 1.812 242 HG2 GLU 34 HG2 GLU 34 30.644 12.840 -0.250 243 HG3 GLU 34 HG1 GLU 34 29.168 13.107 -1.173 244 H ILE 35 HN ILE 35 28.397 9.320 2.083 245 HA ILE 35 HA ILE 35 26.111 9.888 3.755 246 HB ILE 35 HB ILE 35 27.906 7.457 3.673 247 HG12 ILE 35 HG12 ILE 35 25.152 7.930 2.507 248 HG13 ILE 35 HG11 ILE 35 26.650 7.861 1.586 249 HG21 ILE 35 HG21 ILE 35 25.245 7.859 5.040 250 HG22 ILE 35 HG22 ILE 35 26.809 7.694 5.838 251 HG23 ILE 35 HG23 ILE 35 26.132 6.337 4.936 252 HD11 ILE 35 HD11 ILE 35 25.403 5.785 1.419 253 HD12 ILE 35 HD12 ILE 35 25.450 5.604 3.172 254 HD13 ILE 35 HD13 ILE 35 26.944 5.533 2.239 255 H VAL 36 HN VAL 36 26.145 10.621 5.753 256 HA VAL 36 HA VAL 36 28.710 10.650 7.211 257 HB VAL 36 HB VAL 36 26.514 12.727 7.351 258 HG11 VAL 36 HG11 VAL 36 29.225 12.635 8.668 259 HG12 VAL 36 HG12 VAL 36 27.666 12.459 9.473 260 HG13 VAL 36 HG13 VAL 36 28.104 13.995 8.724 261 HG21 VAL 36 HG21 VAL 36 29.258 12.887 6.105 262 HG22 VAL 36 HG22 VAL 36 28.128 14.231 6.276 263 HG23 VAL 36 HG23 VAL 36 27.721 12.863 5.240 264 H HIS 37 HN HIS 37 28.627 9.288 8.848 265 HA HIS 37 HA HIS 37 26.097 8.429 9.951 266 HB2 HIS 37 HB2 HIS 37 28.086 6.915 9.478 267 HB3 HIS 37 HB1 HIS 37 28.859 7.640 10.883 268 HD2 HIS 37 HD2 HIS 37 25.830 5.321 10.034 269 HE1 HIS 37 HE1 HIS 37 26.770 4.983 14.144 270 HE2 HIS 37 HE2 HIS 37 25.515 3.936 12.208 271 H LEU 38 HN LEU 38 25.135 9.387 11.578 272 HA LEU 38 HA LEU 38 26.669 11.216 13.290 273 HB2 LEU 38 HB2 LEU 38 23.692 10.960 12.854 274 HB3 LEU 38 HB1 LEU 38 24.459 12.143 13.895 275 HG LEU 38 HG LEU 38 24.863 11.980 10.906 276 HD11 LEU 38 HD11 LEU 38 22.569 12.598 11.454 277 HD12 LEU 38 HD12 LEU 38 23.457 13.979 10.807 278 HD13 LEU 38 HD13 LEU 38 23.159 13.856 12.541 279 HD21 LEU 38 HD21 LEU 38 25.904 14.169 11.171 280 HD22 LEU 38 HD22 LEU 38 26.753 12.951 12.122 281 HD23 LEU 38 HD23 LEU 38 25.659 14.085 12.915 282 H GLY 39 HN GLY 39 26.107 8.121 13.446 283 HA2 GLY 39 HA2 GLY 39 24.826 8.014 16.080 284 HA3 GLY 39 HA1 GLY 39 25.180 6.639 15.044 285 H THR 40 HN THR 40 27.588 9.049 15.601 286 HA THR 40 HA THR 40 28.843 7.683 17.804 287 HB THR 40 HB THR 40 30.260 7.710 15.123 288 HG1 THR 40 HG1 THR 40 28.553 5.930 16.183 289 HG21 THR 40 HG21 THR 40 32.004 6.443 16.286 290 HG22 THR 40 HG22 THR 40 31.109 6.590 17.798 291 HG23 THR 40 HG23 THR 40 31.773 8.028 17.023 292 H ASP 41 HN ASP 41 29.412 9.913 15.098 293 HA ASP 41 HA ASP 41 31.138 11.578 16.716 294 HB2 ASP 41 HB2 ASP 41 31.476 11.107 14.238 295 HB3 ASP 41 HB1 ASP 41 30.095 12.156 13.940 296 H LYS 42 HN LYS 42 30.196 12.866 18.173 297 HA LYS 42 HA LYS 42 27.502 13.857 17.713 298 HB2 LYS 42 HB2 LYS 42 29.328 14.058 20.112 299 HB3 LYS 42 HB1 LYS 42 27.681 14.678 20.058 300 HG2 LYS 42 HG2 LYS 42 26.808 12.453 19.739 301 HG3 LYS 42 HG1 LYS 42 28.441 11.793 19.652 302 HD2 LYS 42 HD2 LYS 42 28.842 12.512 21.964 303 HD3 LYS 42 HD1 LYS 42 27.199 13.150 22.045 304 HE2 LYS 42 HE2 LYS 42 26.268 10.956 21.784 305 HE3 LYS 42 HE1 LYS 42 27.860 10.268 21.464 306 HZ1 LYS 42 HZ1 LYS 42 26.946 11.461 24.027 307 HZ2 LYS 42 HZ2 LYS 42 28.511 10.888 23.726 308 HZ3 LYS 42 HZ3 LYS 42 27.201 9.811 23.719 309 H ALA 43 HN ALA 43 30.538 14.891 16.946 310 HA ALA 43 HA ALA 43 30.129 17.708 17.504 311 HB1 ALA 43 HB1 ALA 43 32.302 16.346 15.913 312 HB2 ALA 43 HB2 ALA 43 32.382 16.747 17.629 313 HB3 ALA 43 HB3 ALA 43 32.290 18.034 16.426 314 H ARG 44 HN ARG 44 29.777 15.457 14.866 315 HA ARG 44 HA ARG 44 29.457 17.437 12.826 316 HB2 ARG 44 HB2 ARG 44 28.563 14.552 12.837 317 HB3 ARG 44 HB1 ARG 44 28.643 15.597 11.426 318 HG2 ARG 44 HG2 ARG 44 31.089 15.789 11.773 319 HG3 ARG 44 HG1 ARG 44 30.952 14.611 13.083 320 HD2 ARG 44 HD2 ARG 44 29.802 13.114 11.363 321 HD3 ARG 44 HD1 ARG 44 30.429 14.229 10.154 322 HE ARG 44 HE ARG 44 32.302 12.985 12.034 323 HH11 ARG 44 HH11 ARG 44 31.151 13.457 8.766 324 HH12 ARG 44 HH12 ARG 44 32.335 12.401 8.051 325 HH21 ARG 44 HH21 ARG 44 33.889 11.610 11.105 326 HH22 ARG 44 HH22 ARG 44 33.915 11.384 9.382 327 H ILE 45 HN ILE 45 27.448 16.384 15.335 328 HA ILE 45 HA ILE 45 24.906 16.570 14.160 329 HB ILE 45 HB ILE 45 25.726 17.259 16.991 330 HG12 ILE 45 HG12 ILE 45 24.583 14.720 15.799 331 HG13 ILE 45 HG11 ILE 45 26.246 14.946 16.327 332 HG21 ILE 45 HG21 ILE 45 23.575 18.262 16.437 333 HG22 ILE 45 HG22 ILE 45 23.365 16.923 17.564 334 HG23 ILE 45 HG23 ILE 45 22.984 16.706 15.856 335 HD11 ILE 45 HD11 ILE 45 23.799 15.008 18.079 336 HD12 ILE 45 HD12 ILE 45 25.456 15.273 18.623 337 HD13 ILE 45 HD13 ILE 45 24.984 13.704 17.972 338 H ALA 46 HN ALA 46 27.060 19.019 15.498 339 HA ALA 46 HA ALA 46 25.318 21.226 15.287 340 HB1 ALA 46 HB1 ALA 46 27.375 21.263 16.620 341 HB2 ALA 46 HB2 ALA 46 27.325 22.596 15.468 342 HB3 ALA 46 HB3 ALA 46 28.332 21.186 15.140 343 H GLU 47 HN GLU 47 27.337 19.571 12.991 344 HA GLU 47 HA GLU 47 27.209 21.542 10.927 345 HB2 GLU 47 HB2 GLU 47 29.004 19.894 10.974 346 HB3 GLU 47 HB1 GLU 47 27.841 18.583 10.856 347 HG2 GLU 47 HG2 GLU 47 27.206 19.365 8.619 348 HG3 GLU 47 HG1 GLU 47 28.414 20.644 8.741 349 H ALA 48 HN ALA 48 25.438 18.594 11.716 350 HA ALA 48 HA ALA 48 23.825 18.406 9.453 351 HB1 ALA 48 HB1 ALA 48 24.055 16.635 11.138 352 HB2 ALA 48 HB2 ALA 48 22.367 17.005 10.789 353 HB3 ALA 48 HB3 ALA 48 23.113 17.604 12.270 354 H GLU 49 HN GLU 49 23.281 20.157 12.483 355 HA GLU 49 HA GLU 49 20.691 21.041 12.162 356 HB2 GLU 49 HB2 GLU 49 22.951 22.759 13.199 357 HB3 GLU 49 HB1 GLU 49 21.247 22.901 13.598 358 HG2 GLU 49 HG2 GLU 49 21.311 20.808 14.794 359 HG3 GLU 49 HG1 GLU 49 22.989 20.555 14.312 360 H LYS 50 HN LYS 50 23.648 22.412 10.839 361 HA LYS 50 HA LYS 50 22.263 24.696 9.726 362 HB2 LYS 50 HB2 LYS 50 25.165 23.858 9.602 363 HB3 LYS 50 HB1 LYS 50 24.528 25.411 9.065 364 HG2 LYS 50 HG2 LYS 50 24.088 26.126 11.216 365 HG3 LYS 50 HG1 LYS 50 24.041 24.485 11.861 366 HD2 LYS 50 HD2 LYS 50 26.485 24.318 11.451 367 HD3 LYS 50 HD1 LYS 50 26.478 26.018 10.971 368 HE2 LYS 50 HE2 LYS 50 27.160 25.642 13.335 369 HE3 LYS 50 HE1 LYS 50 25.759 26.696 13.154 370 HZ1 LYS 50 HZ1 LYS 50 24.314 24.990 13.848 371 HZ2 LYS 50 HZ2 LYS 50 25.611 24.946 14.942 372 HZ3 LYS 50 HZ3 LYS 50 25.505 23.795 13.703 373 H ALA 51 HN ALA 51 23.487 21.628 8.667 374 HA ALA 51 HA ALA 51 23.493 22.163 5.876 375 HB1 ALA 51 HB1 ALA 51 24.702 20.268 6.827 376 HB2 ALA 51 HB2 ALA 51 23.541 19.727 5.616 377 HB3 ALA 51 HB3 ALA 51 23.178 19.538 7.331 378 H GLY 52 HN GLY 52 21.024 21.520 8.186 379 HA2 GLY 52 HA2 GLY 52 18.744 22.118 7.585 380 HA3 GLY 52 HA1 GLY 52 19.041 21.415 6.002 381 H VAL 53 HN VAL 53 20.489 19.555 8.325 382 HA VAL 53 HA VAL 53 18.544 17.451 7.970 383 HB VAL 53 HB VAL 53 21.117 17.450 9.558 384 HG11 VAL 53 HG11 VAL 53 19.596 15.688 10.261 385 HG12 VAL 53 HG12 VAL 53 20.969 15.011 9.387 386 HG13 VAL 53 HG13 VAL 53 19.406 15.165 8.586 387 HG21 VAL 53 HG21 VAL 53 22.090 16.316 7.619 388 HG22 VAL 53 HG22 VAL 53 21.521 17.934 7.209 389 HG23 VAL 53 HG23 VAL 53 20.574 16.521 6.742 390 H LYS 54 HN LYS 54 16.758 17.733 9.144 391 HA LYS 54 HA LYS 54 17.062 18.363 12.002 392 HB2 LYS 54 HB2 LYS 54 14.681 18.717 10.168 393 HB3 LYS 54 HB1 LYS 54 14.678 19.064 11.895 394 HG2 LYS 54 HG2 LYS 54 16.227 20.834 11.637 395 HG3 LYS 54 HG1 LYS 54 16.583 20.370 9.973 396 HD2 LYS 54 HD2 LYS 54 14.269 20.942 9.348 397 HD3 LYS 54 HD1 LYS 54 13.967 21.460 11.009 398 HE2 LYS 54 HE2 LYS 54 15.570 23.218 10.830 399 HE3 LYS 54 HE1 LYS 54 16.144 22.614 9.278 400 HZ1 LYS 54 HZ1 LYS 54 13.459 23.762 9.823 401 HZ2 LYS 54 HZ2 LYS 54 13.968 23.130 8.336 402 HZ3 LYS 54 HZ3 LYS 54 14.715 24.510 8.964 403 H SER 55 HN SER 55 16.505 15.876 9.881 404 HA SER 55 HA SER 55 15.823 14.120 12.087 405 HB2 SER 55 HB2 SER 55 14.160 14.152 9.551 406 HB3 SER 55 HB1 SER 55 13.991 13.015 10.889 407 HG SER 55 HG SER 55 13.895 15.605 11.719 408 H VAL 56 HN VAL 56 16.012 11.780 11.353 409 HA VAL 56 HA VAL 56 17.845 11.531 9.066 410 HB VAL 56 HB VAL 56 19.091 9.763 10.301 411 HG11 VAL 56 HG11 VAL 56 20.389 11.300 11.717 412 HG12 VAL 56 HG12 VAL 56 19.107 12.502 11.562 413 HG13 VAL 56 HG13 VAL 56 20.017 11.994 10.140 414 HG21 VAL 56 HG21 VAL 56 17.545 10.774 12.685 415 HG22 VAL 56 HG22 VAL 56 18.909 9.658 12.744 416 HG23 VAL 56 HG23 VAL 56 17.407 9.176 11.955 417 HA PRO 57 HA PRO 57 18.806 10.051 8.036 418 HB2 PRO 57 HB2 PRO 57 18.622 8.849 5.658 419 HB3 PRO 57 HB1 PRO 57 18.952 7.931 7.131 420 HG2 PRO 57 HG2 PRO 57 16.414 8.199 5.592 421 HG3 PRO 57 HG1 PRO 57 17.073 6.788 6.436 422 HD2 PRO 57 HD2 PRO 57 15.108 8.511 7.422 423 HD3 PRO 57 HD1 PRO 57 16.062 7.367 8.385 424 H ALA 58 HN ALA 58 19.420 11.649 6.610 425 HA ALA 58 HA ALA 58 17.254 12.953 5.092 426 HB1 ALA 58 HB1 ALA 58 18.240 15.117 5.629 427 HB2 ALA 58 HB2 ALA 58 19.483 14.322 6.593 428 HB3 ALA 58 HB3 ALA 58 17.795 14.246 7.097 429 H LEU 59 HN LEU 59 17.638 13.174 3.006 430 HA LEU 59 HA LEU 59 20.377 12.826 2.010 431 HB2 LEU 59 HB2 LEU 59 18.656 11.339 1.095 432 HB3 LEU 59 HB1 LEU 59 17.718 12.725 0.579 433 HG LEU 59 HG LEU 59 19.534 13.345 -0.983 434 HD11 LEU 59 HD11 LEU 59 20.747 10.728 -0.111 435 HD12 LEU 59 HD12 LEU 59 21.407 12.334 0.196 436 HD13 LEU 59 HD13 LEU 59 21.304 11.723 -1.456 437 HD21 LEU 59 HD21 LEU 59 19.123 11.540 -2.585 438 HD22 LEU 59 HD22 LEU 59 17.643 12.020 -1.754 439 HD23 LEU 59 HD23 LEU 59 18.476 10.538 -1.286 440 H VAL 60 HN VAL 60 21.369 14.753 2.027 441 HA VAL 60 HA VAL 60 19.932 17.197 1.443 442 HB VAL 60 HB VAL 60 22.879 16.804 1.999 443 HG11 VAL 60 HG11 VAL 60 21.156 19.277 2.100 444 HG12 VAL 60 HG12 VAL 60 22.401 18.918 0.904 445 HG13 VAL 60 HG13 VAL 60 22.848 19.185 2.589 446 HG21 VAL 60 HG21 VAL 60 21.548 15.987 3.861 447 HG22 VAL 60 HG22 VAL 60 20.640 17.499 3.898 448 HG23 VAL 60 HG23 VAL 60 22.359 17.493 4.295 449 H ILE 61 HN ILE 61 19.443 17.405 -0.666 450 HA ILE 61 HA ILE 61 21.639 17.159 -2.621 451 HB ILE 61 HB ILE 61 18.651 17.102 -3.099 452 HG12 ILE 61 HG12 ILE 61 20.741 14.925 -3.358 453 HG13 ILE 61 HG11 ILE 61 19.536 15.038 -2.080 454 HG21 ILE 61 HG21 ILE 61 19.220 16.607 -5.429 455 HG22 ILE 61 HG22 ILE 61 20.931 16.809 -5.053 456 HG23 ILE 61 HG23 ILE 61 19.833 18.184 -4.935 457 HD11 ILE 61 HD11 ILE 61 18.899 13.407 -3.761 458 HD12 ILE 61 HD12 ILE 61 18.968 14.650 -5.010 459 HD13 ILE 61 HD13 ILE 61 17.761 14.754 -3.728 460 H ASP 62 HN ASP 62 22.512 19.039 -3.165 461 HA ASP 62 HA ASP 62 22.807 21.244 -3.642 462 HB2 ASP 62 HB2 ASP 62 20.023 20.736 -4.543 463 HB3 ASP 62 HB1 ASP 62 20.499 22.420 -4.359 464 H GLY 63 HN GLY 63 21.999 20.366 -0.926 465 HA2 GLY 63 HA2 GLY 63 22.116 21.753 1.001 466 HA3 GLY 63 HA1 GLY 63 21.338 23.037 0.087 467 H ALA 64 HN ALA 64 19.397 20.865 -0.907 468 HA ALA 64 HA ALA 64 17.490 21.269 1.244 469 HB1 ALA 64 HB1 ALA 64 17.120 19.975 -1.458 470 HB2 ALA 64 HB2 ALA 64 16.795 21.664 -1.071 471 HB3 ALA 64 HB3 ALA 64 15.839 20.389 -0.319 472 H ALA 65 HN ALA 65 17.432 19.875 2.863 473 HA ALA 65 HA ALA 65 18.455 17.185 2.527 474 HB1 ALA 65 HB1 ALA 65 17.390 18.552 4.995 475 HB2 ALA 65 HB2 ALA 65 19.083 18.481 4.505 476 HB3 ALA 65 HB3 ALA 65 18.228 17.001 4.942 477 H PHE 66 HN PHE 66 17.068 15.875 1.503 478 HA PHE 66 HA PHE 66 14.239 15.899 2.132 479 HB2 PHE 66 HB2 PHE 66 15.851 14.074 0.331 480 HB3 PHE 66 HB1 PHE 66 14.096 14.066 0.471 481 HD1 PHE 66 HD2 PHE 66 12.841 16.175 -0.172 482 HD2 PHE 66 HD1 PHE 66 16.927 15.509 -1.161 483 HE1 PHE 66 HE2 PHE 66 12.688 17.884 -1.935 484 HE2 PHE 66 HE1 PHE 66 16.782 17.218 -2.926 485 HZ PHE 66 HZ PHE 66 14.661 18.409 -3.314 486 H HIS 67 HN HIS 67 13.739 15.106 4.060 487 HA HIS 67 HA HIS 67 15.233 13.006 5.322 488 HB2 HIS 67 HB2 HIS 67 12.589 14.255 6.113 489 HB3 HIS 67 HB1 HIS 67 13.596 13.238 7.138 490 HD1 HIS 67 HD1 HIS 67 13.294 16.737 5.842 491 HD2 HIS 67 HD2 HIS 67 15.917 14.458 8.125 492 HE1 HIS 67 HE1 HIS 67 14.855 18.371 6.975 493 H ILE 68 HN ILE 68 15.083 11.092 4.239 494 HA ILE 68 HA ILE 68 12.512 10.233 3.179 495 HB ILE 68 HB ILE 68 15.220 8.904 2.978 496 HG12 ILE 68 HG12 ILE 68 13.708 10.570 0.951 497 HG13 ILE 68 HG11 ILE 68 15.095 11.127 1.880 498 HG21 ILE 68 HG21 ILE 68 13.388 7.317 2.725 499 HG22 ILE 68 HG22 ILE 68 14.198 7.584 1.181 500 HG23 ILE 68 HG23 ILE 68 12.644 8.351 1.506 501 HD11 ILE 68 HD11 ILE 68 15.736 10.505 -0.373 502 HD12 ILE 68 HD12 ILE 68 15.093 8.880 -0.121 503 HD13 ILE 68 HD13 ILE 68 16.485 9.432 0.810 504 H ASN 69 HN ASN 69 11.172 9.220 4.475 505 HA ASN 69 HA ASN 69 10.277 7.811 6.000 506 HB2 ASN 69 HB2 ASN 69 12.863 6.386 5.468 507 HB3 ASN 69 HB1 ASN 69 11.783 5.816 6.735 508 HD21 ASN 69 HD21 ASN 69 11.422 3.887 5.616 509 HD22 ASN 69 HD22 ASN 69 10.405 3.823 4.220 510 H PHE 70 HN PHE 70 9.917 8.905 7.790 511 HA PHE 70 HA PHE 70 12.006 10.048 9.352 512 HB2 PHE 70 HB2 PHE 70 9.825 11.141 9.146 513 HB3 PHE 70 HB1 PHE 70 9.048 9.771 9.933 514 HD1 PHE 70 HD1 PHE 70 11.573 12.438 10.487 515 HD2 PHE 70 HD2 PHE 70 8.800 9.732 12.246 516 HE1 PHE 70 HE1 PHE 70 11.911 13.517 12.670 517 HE2 PHE 70 HE2 PHE 70 9.133 10.807 14.434 518 HZ PHE 70 HZ PHE 70 10.691 12.702 14.649 519 H GLY 71 HN GLY 71 13.327 8.600 10.303 520 HA2 GLY 71 HA2 GLY 71 12.145 6.502 11.979 521 HA3 GLY 71 HA1 GLY 71 13.847 6.650 11.554 522 H ALA 72 HN ALA 72 14.641 9.016 12.269 523 HA ALA 72 HA ALA 72 13.603 9.640 14.935 524 HB1 ALA 72 HB1 ALA 72 16.527 9.188 14.331 525 HB2 ALA 72 HB2 ALA 72 15.497 8.141 15.307 526 HB3 ALA 72 HB3 ALA 72 15.869 9.774 15.858 527 H GLY 73 HN GLY 73 14.064 11.811 15.606 528 HA2 GLY 73 HA2 GLY 73 14.745 13.579 13.354 529 HA3 GLY 73 HA1 GLY 73 13.933 14.065 14.839 530 H ILE 74 HN ILE 74 16.003 15.617 14.055 531 HA ILE 74 HA ILE 74 18.491 14.754 15.149 532 HB ILE 74 HB ILE 74 18.283 16.589 13.449 533 HG12 ILE 74 HG12 ILE 74 19.724 17.387 15.986 534 HG13 ILE 74 HG11 ILE 74 20.325 16.206 14.828 535 HG21 ILE 74 HG21 ILE 74 16.390 17.781 14.412 536 HG22 ILE 74 HG22 ILE 74 17.775 18.856 14.222 537 HG23 ILE 74 HG23 ILE 74 17.365 18.219 15.814 538 HD11 ILE 74 HD11 ILE 74 20.420 17.938 13.114 539 HD12 ILE 74 HD12 ILE 74 21.391 18.362 14.525 540 HD13 ILE 74 HD13 ILE 74 19.817 19.119 14.277 541 H ASP 75 HN ASP 75 15.608 16.166 16.422 542 HA ASP 75 HA ASP 75 16.620 17.063 18.914 543 HB2 ASP 75 HB2 ASP 75 13.864 16.163 18.062 544 HB3 ASP 75 HB1 ASP 75 14.214 16.750 19.683 545 H ASP 76 HN ASP 76 15.670 13.948 17.668 546 HA ASP 76 HA ASP 76 15.525 12.618 20.185 547 HB2 ASP 76 HB2 ASP 76 15.850 11.573 17.369 548 HB3 ASP 76 HB1 ASP 76 15.751 10.519 18.776 549 H LEU 77 HN LEU 77 18.083 13.532 18.076 550 HA LEU 77 HA LEU 77 20.018 11.828 19.441 551 HB2 LEU 77 HB2 LEU 77 20.434 13.893 17.271 552 HB3 LEU 77 HB1 LEU 77 21.640 12.765 17.863 553 HG LEU 77 HG LEU 77 19.108 12.004 16.402 554 HD11 LEU 77 HD11 LEU 77 21.981 12.018 15.488 555 HD12 LEU 77 HD12 LEU 77 20.715 13.123 14.953 556 HD13 LEU 77 HD13 LEU 77 20.606 11.404 14.570 557 HD21 LEU 77 HD21 LEU 77 20.088 9.763 16.333 558 HD22 LEU 77 HD22 LEU 77 19.809 10.292 17.992 559 HD23 LEU 77 HD23 LEU 77 21.439 10.321 17.320 560 H LYS 78 HN LYS 78 18.664 14.925 19.616 561 HA LYS 78 HA LYS 78 20.932 16.141 20.964 562 HB2 LYS 78 HB2 LYS 78 19.586 17.403 19.290 563 HB3 LYS 78 HB1 LYS 78 18.196 17.275 20.353 564 HG2 LYS 78 HG2 LYS 78 19.221 19.459 20.531 565 HG3 LYS 78 HG1 LYS 78 19.370 18.577 22.052 566 HD2 LYS 78 HD2 LYS 78 21.659 18.138 21.689 567 HD3 LYS 78 HD1 LYS 78 21.558 18.599 19.988 568 HE2 LYS 78 HE2 LYS 78 22.662 20.311 21.381 569 HE3 LYS 78 HE1 LYS 78 21.206 20.907 20.587 570 HZ1 LYS 78 HZ1 LYS 78 21.455 20.078 23.436 571 HZ2 LYS 78 HZ2 LYS 78 20.001 20.537 22.684 572 HZ3 LYS 78 HZ3 LYS 78 21.258 21.658 22.846 573 H GLY 79 HN GLY 79 20.995 14.874 22.852 574 HA2 GLY 79 HA2 GLY 79 18.729 14.739 24.617 575 HA3 GLY 79 HA1 GLY 79 20.375 14.244 24.993 576 H SER 80 HN SER 80 21.935 15.998 25.404 577 HA SER 80 HA SER 80 20.639 18.364 26.572 578 HB2 SER 80 HB2 SER 80 23.132 16.972 27.587 579 HB3 SER 80 HB1 SER 80 22.339 18.368 28.319 580 HG SER 80 HG SER 80 20.417 16.747 28.255 581 H1 VAL 1 HT1 VAL 1 18.358 -3.995 -13.664 582 H2 VAL 1 HT2 VAL 1 18.311 -4.570 -15.257 583 H3 VAL 1 HT3 VAL 1 18.251 -5.662 -13.964 584 HA VAL 1 HA VAL 1 16.081 -5.338 -15.002 585 HB VAL 1 HB VAL 1 14.805 -4.863 -12.956 586 HG11 VAL 1 HG11 VAL 1 15.767 -7.071 -13.206 587 HG12 VAL 1 HG12 VAL 1 15.807 -6.584 -11.512 588 HG13 VAL 1 HG13 VAL 1 17.279 -6.520 -12.482 589 HG21 VAL 1 HG21 VAL 1 15.956 -4.228 -10.889 590 HG22 VAL 1 HG22 VAL 1 16.095 -2.975 -12.123 591 HG23 VAL 1 HG23 VAL 1 17.461 -4.039 -11.789 592 H ALA 2 HN ALA 2 14.114 -3.804 -14.653 593 HA ALA 2 HA ALA 2 14.828 -0.977 -14.773 594 HB1 ALA 2 HB1 ALA 2 13.582 -0.628 -16.850 595 HB2 ALA 2 HB2 ALA 2 13.295 -2.364 -16.977 596 HB3 ALA 2 HB3 ALA 2 14.937 -1.729 -17.104 597 H SER 3 HN SER 3 13.562 -2.423 -12.753 598 HA SER 3 HA SER 3 10.752 -2.446 -12.931 599 HB2 SER 3 HB2 SER 3 11.045 -2.334 -10.310 600 HB3 SER 3 HB1 SER 3 11.529 -3.774 -11.205 601 HG SER 3 HG SER 3 13.026 -2.346 -9.613 602 H LYS 4 HN LYS 4 9.231 -1.016 -11.872 603 HA LYS 4 HA LYS 4 10.030 1.718 -12.411 604 HB2 LYS 4 HB2 LYS 4 7.690 2.258 -12.468 605 HB3 LYS 4 HB1 LYS 4 7.958 0.807 -13.420 606 HG2 LYS 4 HG2 LYS 4 7.030 -0.574 -11.706 607 HG3 LYS 4 HG1 LYS 4 6.955 0.786 -10.582 608 HD2 LYS 4 HD2 LYS 4 5.365 1.910 -12.100 609 HD3 LYS 4 HD1 LYS 4 5.401 0.495 -13.152 610 HE2 LYS 4 HE2 LYS 4 4.524 -0.881 -11.338 611 HE3 LYS 4 HE1 LYS 4 4.514 0.521 -10.270 612 HZ1 LYS 4 HZ1 LYS 4 2.916 1.587 -11.757 613 HZ2 LYS 4 HZ2 LYS 4 2.322 0.105 -11.169 614 HZ3 LYS 4 HZ3 LYS 4 2.915 0.209 -12.752 615 H ALA 5 HN ALA 5 9.917 3.386 -11.028 616 HA ALA 5 HA ALA 5 9.443 2.782 -8.190 617 HB1 ALA 5 HB1 ALA 5 11.619 3.783 -8.657 618 HB2 ALA 5 HB2 ALA 5 10.611 4.907 -7.745 619 HB3 ALA 5 HB3 ALA 5 10.838 5.135 -9.480 620 H ILE 6 HN ILE 6 7.546 3.427 -7.369 621 HA ILE 6 HA ILE 6 5.821 5.013 -9.125 622 HB ILE 6 HB ILE 6 4.935 3.627 -6.603 623 HG12 ILE 6 HG12 ILE 6 5.047 2.401 -9.370 624 HG13 ILE 6 HG11 ILE 6 6.162 2.010 -8.064 625 HG21 ILE 6 HG21 ILE 6 2.785 3.552 -7.769 626 HG22 ILE 6 HG22 ILE 6 3.515 4.340 -9.167 627 HG23 ILE 6 HG23 ILE 6 3.386 5.205 -7.636 628 HD11 ILE 6 HD11 ILE 6 3.186 1.558 -8.030 629 HD12 ILE 6 HD12 ILE 6 4.312 1.149 -6.735 630 HD13 ILE 6 HD13 ILE 6 4.422 0.328 -8.293 631 H PHE 7 HN PHE 7 5.849 7.128 -8.774 632 HA PHE 7 HA PHE 7 6.349 8.117 -6.058 633 HB2 PHE 7 HB2 PHE 7 7.874 8.937 -7.787 634 HB3 PHE 7 HB1 PHE 7 6.512 9.524 -8.734 635 HD1 PHE 7 HD2 PHE 7 8.187 9.949 -5.441 636 HD2 PHE 7 HD1 PHE 7 5.757 11.697 -8.465 637 HE1 PHE 7 HE2 PHE 7 8.328 12.120 -4.294 638 HE2 PHE 7 HE1 PHE 7 5.894 13.872 -7.322 639 HZ PHE 7 HZ PHE 7 7.180 14.085 -5.235 640 H TYR 8 HN TYR 8 4.583 8.522 -4.939 641 HA TYR 8 HA TYR 8 2.165 9.457 -6.296 642 HB2 TYR 8 HB2 TYR 8 2.700 8.438 -3.509 643 HB3 TYR 8 HB1 TYR 8 1.193 9.240 -3.928 644 HD1 TYR 8 HD2 TYR 8 3.314 6.300 -4.723 645 HD2 TYR 8 HD1 TYR 8 -0.546 8.068 -4.985 646 HE1 TYR 8 HE2 TYR 8 2.387 4.155 -5.486 647 HE2 TYR 8 HE1 TYR 8 -1.484 5.925 -5.746 648 HH TYR 8 HH TYR 8 -0.746 3.845 -6.807 649 H HIS 9 HN HIS 9 1.507 11.523 -6.215 650 HA HIS 9 HA HIS 9 2.445 13.211 -4.031 651 HB2 HIS 9 HB2 HIS 9 3.206 14.994 -5.437 652 HB3 HIS 9 HB1 HIS 9 4.034 13.529 -5.942 653 HD2 HIS 9 HD2 HIS 9 2.835 12.373 -8.364 654 HE1 HIS 9 HE1 HIS 9 1.578 16.211 -9.629 655 HE2 HIS 9 HE2 HIS 9 1.786 13.772 -10.280 656 H ALA 10 HN ALA 10 1.324 15.488 -4.311 657 HA ALA 10 HA ALA 10 -1.458 15.034 -5.141 658 HB1 ALA 10 HB1 ALA 10 -0.622 16.135 -2.460 659 HB2 ALA 10 HB2 ALA 10 -1.295 14.531 -2.752 660 HB3 ALA 10 HB3 ALA 10 -2.277 15.966 -3.043 661 H GLY 11 HN GLY 11 0.983 16.736 -5.981 662 HA2 GLY 11 HA2 GLY 11 0.996 18.703 -7.225 663 HA3 GLY 11 HA1 GLY 11 -0.611 19.068 -6.619 664 H CYS 12 HN CYS 12 0.872 18.418 -3.885 665 HA CYS 12 HA CYS 12 1.133 21.036 -2.966 666 HB2 CYS 12 HB2 CYS 12 2.586 18.633 -1.848 667 HB3 CYS 12 HB1 CYS 12 2.059 20.068 -0.974 668 HG CYS 12 HG CYS 12 -0.096 18.963 -0.137 669 HA PRO 13 HA PRO 13 4.994 22.689 -4.338 670 HB2 PRO 13 HB2 PRO 13 5.642 23.133 -1.459 671 HB3 PRO 13 HB1 PRO 13 5.680 24.272 -2.810 672 HG2 PRO 13 HG2 PRO 13 3.694 24.342 -1.048 673 HG3 PRO 13 HG1 PRO 13 3.381 24.594 -2.777 674 HD2 PRO 13 HD2 PRO 13 2.846 22.200 -1.080 675 HD3 PRO 13 HD1 PRO 13 1.910 22.857 -2.438 676 H VAL 14 HN VAL 14 5.198 20.582 -1.495 677 HA VAL 14 HA VAL 14 7.931 19.980 -1.629 678 HB VAL 14 HB VAL 14 5.713 18.202 -0.592 679 HG11 VAL 14 HG11 VAL 14 7.451 17.255 0.860 680 HG12 VAL 14 HG12 VAL 14 8.660 18.256 0.054 681 HG13 VAL 14 HG13 VAL 14 7.812 16.999 -0.847 682 HG21 VAL 14 HG21 VAL 14 7.327 20.321 0.823 683 HG22 VAL 14 HG22 VAL 14 6.187 19.215 1.591 684 HG23 VAL 14 HG23 VAL 14 5.612 20.406 0.425 685 H CYS 15 HN CYS 15 5.224 18.739 -3.454 686 HA CYS 15 HA CYS 15 6.337 16.326 -4.381 687 HB2 CYS 15 HB2 CYS 15 4.508 18.106 -5.996 688 HB3 CYS 15 HB1 CYS 15 4.656 16.355 -6.076 689 HG CYS 15 HG CYS 15 2.910 18.270 -3.935 690 H VAL 16 HN VAL 16 6.485 19.630 -5.582 691 HA VAL 16 HA VAL 16 7.762 19.096 -8.028 692 HB VAL 16 HB VAL 16 8.007 21.630 -6.403 693 HG11 VAL 16 HG11 VAL 16 8.183 21.111 -9.367 694 HG12 VAL 16 HG12 VAL 16 9.516 21.538 -8.295 695 HG13 VAL 16 HG13 VAL 16 8.229 22.702 -8.607 696 HG21 VAL 16 HG21 VAL 16 5.826 20.818 -8.320 697 HG22 VAL 16 HG22 VAL 16 6.016 22.419 -7.605 698 HG23 VAL 16 HG23 VAL 16 5.661 21.030 -6.577 699 H SER 17 HN SER 17 9.057 20.110 -4.878 700 HA SER 17 HA SER 17 11.744 20.279 -5.577 701 HB2 SER 17 HB2 SER 17 10.714 19.347 -2.894 702 HB3 SER 17 HB1 SER 17 12.190 20.254 -3.232 703 HG SER 17 HG SER 17 10.873 21.847 -2.676 704 H ALA 18 HN ALA 18 9.918 17.511 -4.301 705 HA ALA 18 HA ALA 18 12.099 15.717 -4.216 706 HB1 ALA 18 HB1 ALA 18 10.014 15.371 -2.967 707 HB2 ALA 18 HB2 ALA 18 10.419 13.976 -3.968 708 HB3 ALA 18 HB3 ALA 18 9.158 15.096 -4.485 709 H GLU 19 HN GLU 19 9.727 16.492 -6.697 710 HA GLU 19 HA GLU 19 10.393 14.393 -8.475 711 HB2 GLU 19 HB2 GLU 19 8.281 15.754 -8.493 712 HB3 GLU 19 HB1 GLU 19 9.210 17.086 -9.166 713 HG2 GLU 19 HG2 GLU 19 9.816 15.578 -11.069 714 HG3 GLU 19 HG1 GLU 19 8.661 14.414 -10.422 715 H GLN 20 HN GLN 20 11.528 17.728 -8.143 716 HA GLN 20 HA GLN 20 13.061 17.784 -10.514 717 HB2 GLN 20 HB2 GLN 20 13.393 19.356 -7.955 718 HB3 GLN 20 HB1 GLN 20 14.235 19.705 -9.458 719 HG2 GLN 20 HG2 GLN 20 12.105 20.139 -10.559 720 HG3 GLN 20 HG1 GLN 20 11.254 19.774 -9.058 721 HE21 GLN 20 HE21 GLN 20 13.370 21.089 -7.454 722 HE22 GLN 20 HE22 GLN 20 13.085 22.783 -7.642 723 H ALA 21 HN ALA 21 14.043 17.198 -7.138 724 HA ALA 21 HA ALA 21 16.755 16.667 -7.992 725 HB1 ALA 21 HB1 ALA 21 15.532 16.539 -5.243 726 HB2 ALA 21 HB2 ALA 21 16.334 17.940 -5.954 727 HB3 ALA 21 HB3 ALA 21 17.254 16.473 -5.620 728 H VAL 22 HN VAL 22 14.421 14.811 -6.021 729 HA VAL 22 HA VAL 22 16.062 12.517 -5.952 730 HB VAL 22 HB VAL 22 13.090 12.647 -5.424 731 HG11 VAL 22 HG11 VAL 22 13.908 10.373 -5.640 732 HG12 VAL 22 HG12 VAL 22 13.521 10.722 -3.955 733 HG13 VAL 22 HG13 VAL 22 15.202 10.706 -4.488 734 HG21 VAL 22 HG21 VAL 22 14.266 14.325 -4.108 735 HG22 VAL 22 HG22 VAL 22 15.399 13.101 -3.534 736 HG23 VAL 22 HG23 VAL 22 13.698 13.012 -3.077 737 H ALA 23 HN ALA 23 13.240 13.338 -7.946 738 HA ALA 23 HA ALA 23 13.060 10.735 -9.107 739 HB1 ALA 23 HB1 ALA 23 11.365 11.668 -10.552 740 HB2 ALA 23 HB2 ALA 23 11.834 13.304 -10.092 741 HB3 ALA 23 HB3 ALA 23 11.118 12.224 -8.896 742 H ASN 24 HN ASN 24 15.175 13.318 -9.702 743 HA ASN 24 HA ASN 24 15.740 12.304 -12.396 744 HB2 ASN 24 HB2 ASN 24 16.379 14.880 -11.022 745 HB3 ASN 24 HB1 ASN 24 17.432 14.321 -12.318 746 HD21 ASN 24 HD21 ASN 24 14.319 15.579 -11.500 747 HD22 ASN 24 HD22 ASN 24 13.760 15.826 -13.123 748 H ALA 25 HN ALA 25 16.986 12.434 -9.165 749 HA ALA 25 HA ALA 25 19.605 11.500 -9.756 750 HB1 ALA 25 HB1 ALA 25 19.044 12.511 -7.597 751 HB2 ALA 25 HB2 ALA 25 19.720 10.895 -7.393 752 HB3 ALA 25 HB3 ALA 25 17.981 11.151 -7.233 753 H ILE 26 HN ILE 26 16.505 9.972 -9.176 754 HA ILE 26 HA ILE 26 17.673 7.370 -9.873 755 HB ILE 26 HB ILE 26 14.867 7.954 -8.899 756 HG12 ILE 26 HG12 ILE 26 17.248 6.869 -7.373 757 HG13 ILE 26 HG11 ILE 26 16.584 8.488 -7.195 758 HG21 ILE 26 HG21 ILE 26 15.062 5.906 -10.221 759 HG22 ILE 26 HG22 ILE 26 14.742 5.540 -8.525 760 HG23 ILE 26 HG23 ILE 26 16.371 5.352 -9.176 761 HD11 ILE 26 HD11 ILE 26 15.863 7.041 -5.392 762 HD12 ILE 26 HD12 ILE 26 15.164 5.915 -6.556 763 HD13 ILE 26 HD13 ILE 26 14.489 7.535 -6.381 764 H ASP 27 HN ASP 27 17.997 7.944 -12.056 765 HA ASP 27 HA ASP 27 15.826 8.885 -13.669 766 HB2 ASP 27 HB2 ASP 27 17.434 8.744 -15.520 767 HB3 ASP 27 HB1 ASP 27 18.122 9.586 -14.136 768 HA PRO 28 HA PRO 28 13.868 5.228 -14.942 769 HB2 PRO 28 HB2 PRO 28 13.926 6.202 -17.735 770 HB3 PRO 28 HB1 PRO 28 12.547 5.823 -16.699 771 HG2 PRO 28 HG2 PRO 28 13.174 8.350 -17.260 772 HG3 PRO 28 HG1 PRO 28 12.601 7.887 -15.646 773 HD2 PRO 28 HD2 PRO 28 15.396 8.437 -16.579 774 HD3 PRO 28 HD1 PRO 28 14.593 8.930 -15.072 775 H SER 29 HN SER 29 16.936 5.933 -16.323 776 HA SER 29 HA SER 29 17.144 3.600 -17.959 777 HB2 SER 29 HB2 SER 29 18.619 5.610 -18.203 778 HB3 SER 29 HB1 SER 29 19.380 5.193 -16.671 779 HG SER 29 HG SER 29 20.652 3.985 -17.810 780 H LYS 30 HN LYS 30 17.441 4.306 -14.607 781 HA LYS 30 HA LYS 30 18.417 1.596 -14.033 782 HB2 LYS 30 HB2 LYS 30 18.023 3.950 -12.169 783 HB3 LYS 30 HB1 LYS 30 18.743 2.404 -11.739 784 HG2 LYS 30 HG2 LYS 30 20.622 2.815 -13.175 785 HG3 LYS 30 HG1 LYS 30 19.873 4.287 -13.799 786 HD2 LYS 30 HD2 LYS 30 20.738 3.808 -10.946 787 HD3 LYS 30 HD1 LYS 30 21.585 4.804 -12.134 788 HE2 LYS 30 HE2 LYS 30 19.574 6.237 -12.301 789 HE3 LYS 30 HE1 LYS 30 18.818 5.276 -11.031 790 HZ1 LYS 30 HZ1 LYS 30 20.611 5.928 -9.537 791 HZ2 LYS 30 HZ2 LYS 30 19.793 7.288 -10.136 792 HZ3 LYS 30 HZ3 LYS 30 21.310 6.874 -10.765 793 H TYR 31 HN TYR 31 15.933 3.898 -12.939 794 HA TYR 31 HA TYR 31 14.031 1.677 -12.709 795 HB2 TYR 31 HB2 TYR 31 14.451 3.806 -10.593 796 HB3 TYR 31 HB1 TYR 31 13.163 2.609 -10.587 797 HD1 TYR 31 HD1 TYR 31 13.820 0.149 -10.424 798 HD2 TYR 31 HD2 TYR 31 16.539 3.328 -9.647 799 HE1 TYR 31 HE1 TYR 31 15.265 -1.399 -9.175 800 HE2 TYR 31 HE2 TYR 31 17.992 1.788 -8.399 801 HH TYR 31 HH TYR 31 17.745 -0.374 -7.155 802 H THR 32 HN THR 32 12.289 2.147 -13.877 803 HA THR 32 HA THR 32 11.855 4.710 -15.023 804 HB THR 32 HB THR 32 9.834 2.470 -14.836 805 HG1 THR 32 HG1 THR 32 11.705 2.798 -16.956 806 HG21 THR 32 HG21 THR 32 9.059 3.368 -16.989 807 HG22 THR 32 HG22 THR 32 10.278 4.639 -16.893 808 HG23 THR 32 HG23 THR 32 8.969 4.580 -15.711 809 H VAL 33 HN VAL 33 11.169 6.417 -13.851 810 HA VAL 33 HA VAL 33 9.658 6.034 -11.426 811 HB VAL 33 HB VAL 33 10.395 8.629 -12.793 812 HG11 VAL 33 HG11 VAL 33 10.053 9.624 -10.582 813 HG12 VAL 33 HG12 VAL 33 9.545 8.055 -9.955 814 HG13 VAL 33 HG13 VAL 33 8.577 8.869 -11.186 815 HG21 VAL 33 HG21 VAL 33 12.384 7.319 -12.272 816 HG22 VAL 33 HG22 VAL 33 11.836 7.133 -10.606 817 HG23 VAL 33 HG23 VAL 33 12.264 8.729 -11.222 818 H GLU 34 HN GLU 34 7.551 5.862 -11.349 819 HA GLU 34 HA GLU 34 5.930 6.879 -13.578 820 HB2 GLU 34 HB2 GLU 34 5.730 4.476 -13.072 821 HB3 GLU 34 HB1 GLU 34 5.259 4.860 -11.423 822 HG2 GLU 34 HG2 GLU 34 3.198 5.781 -12.131 823 HG3 GLU 34 HG1 GLU 34 3.696 5.766 -13.822 824 H ILE 35 HN ILE 35 5.144 8.834 -13.227 825 HA ILE 35 HA ILE 35 4.834 9.897 -10.564 826 HB ILE 35 HB ILE 35 4.147 11.137 -13.236 827 HG12 ILE 35 HG12 ILE 35 6.533 10.617 -13.060 828 HG13 ILE 35 HG11 ILE 35 6.270 12.356 -12.996 829 HG21 ILE 35 HG21 ILE 35 4.437 12.404 -10.516 830 HG22 ILE 35 HG22 ILE 35 2.936 12.191 -11.417 831 HG23 ILE 35 HG23 ILE 35 4.186 13.272 -12.032 832 HD11 ILE 35 HD11 ILE 35 7.960 11.648 -11.403 833 HD12 ILE 35 HD12 ILE 35 6.798 10.567 -10.635 834 HD13 ILE 35 HD13 ILE 35 6.551 12.313 -10.578 835 H VAL 36 HN VAL 36 3.099 9.384 -9.397 836 HA VAL 36 HA VAL 36 0.502 9.122 -10.766 837 HB VAL 36 HB VAL 36 1.317 8.001 -8.078 838 HG11 VAL 36 HG11 VAL 36 -0.799 6.777 -8.188 839 HG12 VAL 36 HG12 VAL 36 -1.198 7.602 -9.694 840 HG13 VAL 36 HG13 VAL 36 -1.060 8.521 -8.196 841 HG21 VAL 36 HG21 VAL 36 2.467 6.853 -9.882 842 HG22 VAL 36 HG22 VAL 36 0.940 6.618 -10.733 843 HG23 VAL 36 HG23 VAL 36 1.224 5.811 -9.190 844 H HIS 37 HN HIS 37 -0.708 10.867 -10.574 845 HA HIS 37 HA HIS 37 -0.385 12.606 -8.237 846 HB2 HIS 37 HB2 HIS 37 -0.129 13.618 -10.477 847 HB3 HIS 37 HB1 HIS 37 -1.765 13.122 -10.882 848 HD2 HIS 37 HD2 HIS 37 -2.682 15.683 -11.188 849 HE1 HIS 37 HE1 HIS 37 -1.989 16.874 -7.190 850 HE2 HIS 37 HE2 HIS 37 -3.170 17.457 -9.359 851 H LEU 38 HN LEU 38 -1.737 12.173 -6.624 852 HA LEU 38 HA LEU 38 -4.208 10.783 -7.006 853 HB2 LEU 38 HB2 LEU 38 -3.100 12.200 -4.582 854 HB3 LEU 38 HB1 LEU 38 -4.547 11.210 -4.579 855 HG LEU 38 HG LEU 38 -1.735 10.261 -5.132 856 HD11 LEU 38 HD11 LEU 38 -2.008 9.009 -3.062 857 HD12 LEU 38 HD12 LEU 38 -3.616 9.700 -2.845 858 HD13 LEU 38 HD13 LEU 38 -2.193 10.740 -2.779 859 HD21 LEU 38 HD21 LEU 38 -2.701 8.022 -5.231 860 HD22 LEU 38 HD22 LEU 38 -3.356 9.051 -6.504 861 HD23 LEU 38 HD23 LEU 38 -4.318 8.705 -5.066 862 H GLY 39 HN GLY 39 -3.287 14.022 -7.255 863 HA2 GLY 39 HA2 GLY 39 -5.743 15.276 -6.543 864 HA3 GLY 39 HA1 GLY 39 -4.484 15.963 -7.564 865 H THR 40 HN THR 40 -4.611 13.605 -9.373 866 HA THR 40 HA THR 40 -6.811 14.527 -11.017 867 HB THR 40 HB THR 40 -4.815 12.330 -11.599 868 HG1 THR 40 HG1 THR 40 -4.722 15.147 -12.018 869 HG21 THR 40 HG21 THR 40 -5.388 12.793 -13.947 870 HG22 THR 40 HG22 THR 40 -6.592 13.966 -13.412 871 HG23 THR 40 HG23 THR 40 -6.792 12.258 -13.023 872 H ASP 41 HN ASP 41 -5.747 11.474 -9.523 873 HA ASP 41 HA ASP 41 -8.471 10.427 -9.939 874 HB2 ASP 41 HB2 ASP 41 -6.657 9.282 -11.250 875 HB3 ASP 41 HB1 ASP 41 -5.931 8.799 -9.721 876 H LYS 42 HN LYS 42 -9.553 10.442 -8.087 877 HA LYS 42 HA LYS 42 -8.104 10.549 -5.574 878 HB2 LYS 42 HB2 LYS 42 -10.005 12.093 -6.126 879 HB3 LYS 42 HB1 LYS 42 -11.085 10.708 -6.041 880 HG2 LYS 42 HG2 LYS 42 -10.533 10.382 -3.708 881 HG3 LYS 42 HG1 LYS 42 -9.368 11.705 -3.777 882 HD2 LYS 42 HD2 LYS 42 -11.232 13.234 -4.386 883 HD3 LYS 42 HD1 LYS 42 -12.356 11.896 -4.135 884 HE2 LYS 42 HE2 LYS 42 -11.679 11.722 -1.817 885 HE3 LYS 42 HE1 LYS 42 -10.471 12.984 -2.052 886 HZ1 LYS 42 HZ1 LYS 42 -12.332 13.987 -1.043 887 HZ2 LYS 42 HZ2 LYS 42 -13.421 13.267 -2.127 888 HZ3 LYS 42 HZ3 LYS 42 -12.365 14.478 -2.669 889 H ALA 43 HN ALA 43 -9.964 8.297 -7.420 890 HA ALA 43 HA ALA 43 -10.612 6.545 -5.248 891 HB1 ALA 43 HB1 ALA 43 -11.944 6.585 -7.290 892 HB2 ALA 43 HB2 ALA 43 -11.295 4.972 -6.989 893 HB3 ALA 43 HB3 ALA 43 -10.558 6.005 -8.215 894 H ARG 44 HN ARG 44 -7.700 7.346 -6.352 895 HA ARG 44 HA ARG 44 -6.577 4.667 -6.533 896 HB2 ARG 44 HB2 ARG 44 -5.970 6.660 -8.042 897 HB3 ARG 44 HB1 ARG 44 -5.033 7.242 -6.673 898 HG2 ARG 44 HG2 ARG 44 -3.449 5.641 -6.899 899 HG3 ARG 44 HG1 ARG 44 -4.588 4.444 -7.525 900 HD2 ARG 44 HD2 ARG 44 -3.437 6.802 -9.009 901 HD3 ARG 44 HD1 ARG 44 -3.072 5.098 -9.284 902 HE ARG 44 HE ARG 44 -5.814 6.131 -9.649 903 HH11 ARG 44 HH11 ARG 44 -2.958 4.521 -10.919 904 HH12 ARG 44 HH12 ARG 44 -3.736 4.063 -12.403 905 HH21 ARG 44 HH21 ARG 44 -6.826 5.509 -11.588 906 HH22 ARG 44 HH22 ARG 44 -5.929 4.626 -12.788 907 H ILE 45 HN ILE 45 -7.385 6.718 -4.099 908 HA ILE 45 HA ILE 45 -5.220 6.645 -2.333 909 HB ILE 45 HB ILE 45 -8.183 6.561 -1.733 910 HG12 ILE 45 HG12 ILE 45 -6.186 8.836 -1.693 911 HG13 ILE 45 HG11 ILE 45 -7.401 8.566 -2.937 912 HG21 ILE 45 HG21 ILE 45 -5.885 7.096 0.146 913 HG22 ILE 45 HG22 ILE 45 -6.949 5.690 0.173 914 HG23 ILE 45 HG23 ILE 45 -7.594 7.291 0.535 915 HD11 ILE 45 HD11 ILE 45 -8.090 10.306 -1.396 916 HD12 ILE 45 HD12 ILE 45 -7.944 9.185 -0.041 917 HD13 ILE 45 HD13 ILE 45 -9.165 8.912 -1.284 918 H ALA 46 HN ALA 46 -7.773 4.283 -2.947 919 HA ALA 46 HA ALA 46 -7.104 2.442 -0.936 920 HB1 ALA 46 HB1 ALA 46 -9.233 2.415 -2.155 921 HB2 ALA 46 HB2 ALA 46 -8.432 0.844 -2.192 922 HB3 ALA 46 HB3 ALA 46 -8.384 1.891 -3.610 923 H GLU 47 HN GLU 47 -5.836 2.935 -4.169 924 HA GLU 47 HA GLU 47 -4.306 0.538 -4.277 925 HB2 GLU 47 HB2 GLU 47 -4.846 1.701 -6.331 926 HB3 GLU 47 HB1 GLU 47 -4.029 3.153 -5.770 927 HG2 GLU 47 HG2 GLU 47 -1.895 1.975 -5.803 928 HG3 GLU 47 HG1 GLU 47 -2.708 0.512 -6.351 929 H ALA 48 HN ALA 48 -3.603 3.891 -3.416 930 HA ALA 48 HA ALA 48 -0.872 3.674 -2.947 931 HB1 ALA 48 HB1 ALA 48 -1.093 5.683 -1.598 932 HB2 ALA 48 HB2 ALA 48 -2.838 5.449 -1.507 933 HB3 ALA 48 HB3 ALA 48 -2.075 5.805 -3.057 934 H GLU 49 HN GLU 49 -3.591 3.146 -0.727 935 HA GLU 49 HA GLU 49 -2.222 2.679 1.632 936 HB2 GLU 49 HB2 GLU 49 -4.671 1.216 0.633 937 HB3 GLU 49 HB1 GLU 49 -4.120 1.260 2.299 938 HG2 GLU 49 HG2 GLU 49 -4.498 3.680 2.347 939 HG3 GLU 49 HG1 GLU 49 -5.090 3.604 0.684 940 H LYS 50 HN LYS 50 -3.099 0.321 -0.875 941 HA LYS 50 HA LYS 50 -1.927 -1.878 0.509 942 HB2 LYS 50 HB2 LYS 50 -2.807 -1.630 -2.372 943 HB3 LYS 50 HB1 LYS 50 -2.408 -3.137 -1.557 944 HG2 LYS 50 HG2 LYS 50 -4.251 -2.792 0.002 945 HG3 LYS 50 HG1 LYS 50 -4.647 -1.271 -0.798 946 HD2 LYS 50 HD2 LYS 50 -5.090 -2.499 -2.879 947 HD3 LYS 50 HD1 LYS 50 -4.722 -4.015 -2.053 948 HE2 LYS 50 HE2 LYS 50 -7.122 -3.685 -2.161 949 HE3 LYS 50 HE1 LYS 50 -6.571 -3.594 -0.489 950 HZ1 LYS 50 HZ1 LYS 50 -8.162 -1.853 -0.980 951 HZ2 LYS 50 HZ2 LYS 50 -7.187 -1.273 -2.241 952 HZ3 LYS 50 HZ3 LYS 50 -6.645 -1.179 -0.635 953 H ALA 51 HN ALA 51 -0.726 0.485 -1.702 954 HA ALA 51 HA ALA 51 1.594 -0.994 -2.511 955 HB1 ALA 51 HB1 ALA 51 1.072 1.977 -2.623 956 HB2 ALA 51 HB2 ALA 51 0.681 0.815 -3.890 957 HB3 ALA 51 HB3 ALA 51 2.364 1.115 -3.460 958 H GLY 52 HN GLY 52 0.696 0.887 0.223 959 HA2 GLY 52 HA2 GLY 52 1.982 0.691 2.258 960 HA3 GLY 52 HA1 GLY 52 3.440 0.639 1.275 961 H VAL 53 HN VAL 53 1.276 2.875 0.076 962 HA VAL 53 HA VAL 53 2.999 5.052 0.851 963 HB VAL 53 HB VAL 53 0.470 5.100 -0.803 964 HG11 VAL 53 HG11 VAL 53 1.288 7.235 -1.641 965 HG12 VAL 53 HG12 VAL 53 2.693 7.125 -0.581 966 HG13 VAL 53 HG13 VAL 53 1.079 7.290 0.110 967 HG21 VAL 53 HG21 VAL 53 2.138 3.642 -1.797 968 HG22 VAL 53 HG22 VAL 53 3.352 4.914 -1.666 969 HG23 VAL 53 HG23 VAL 53 1.970 5.122 -2.742 970 H LYS 54 HN LYS 54 2.755 5.755 2.867 971 HA LYS 54 HA LYS 54 0.095 5.996 4.043 972 HB2 LYS 54 HB2 LYS 54 2.842 6.464 5.218 973 HB3 LYS 54 HB1 LYS 54 1.333 6.563 6.113 974 HG2 LYS 54 HG2 LYS 54 0.926 4.226 5.811 975 HG3 LYS 54 HG1 LYS 54 2.307 4.081 4.721 976 HD2 LYS 54 HD2 LYS 54 3.823 4.638 6.530 977 HD3 LYS 54 HD1 LYS 54 2.462 4.879 7.626 978 HE2 LYS 54 HE2 LYS 54 1.861 2.546 7.450 979 HE3 LYS 54 HE1 LYS 54 3.126 2.281 6.251 980 HZ1 LYS 54 HZ1 LYS 54 3.731 1.562 8.521 981 HZ2 LYS 54 HZ2 LYS 54 3.635 3.176 9.039 982 HZ3 LYS 54 HZ3 LYS 54 4.791 2.721 7.882 983 H SER 55 HN SER 55 2.440 7.881 2.451 984 HA SER 55 HA SER 55 0.798 10.250 2.810 985 HB2 SER 55 HB2 SER 55 3.758 10.261 3.469 986 HB3 SER 55 HB1 SER 55 2.690 11.665 3.470 987 HG SER 55 HG SER 55 1.680 9.672 4.995 988 H VAL 56 HN VAL 56 1.054 11.780 1.151 989 HA VAL 56 HA VAL 56 2.280 10.849 -1.269 990 HB VAL 56 HB VAL 56 1.651 13.148 -2.150 991 HG11 VAL 56 HG11 VAL 56 0.285 11.186 -2.535 992 HG12 VAL 56 HG12 VAL 56 -0.740 12.591 -2.245 993 HG13 VAL 56 HG13 VAL 56 -0.500 11.397 -0.970 994 HG21 VAL 56 HG21 VAL 56 1.596 14.343 -0.027 995 HG22 VAL 56 HG22 VAL 56 0.262 13.327 0.519 996 HG23 VAL 56 HG23 VAL 56 0.033 14.428 -0.841 997 HA PRO 57 HA PRO 57 5.546 12.900 -2.999 998 HB2 PRO 57 HB2 PRO 57 6.188 14.417 -0.483 999 HB3 PRO 57 HB1 PRO 57 6.809 14.671 -2.126 1000 HG2 PRO 57 HG2 PRO 57 4.519 15.898 -1.042 1001 HG3 PRO 57 HG1 PRO 57 4.938 15.821 -2.761 1002 HD2 PRO 57 HD2 PRO 57 2.684 14.618 -1.600 1003 HD3 PRO 57 HD1 PRO 57 3.392 14.149 -3.167 1004 H ALA 58 HN ALA 58 5.535 10.667 -2.734 1005 HA ALA 58 HA ALA 58 7.793 9.718 -1.192 1006 HB1 ALA 58 HB1 ALA 58 6.557 7.839 -0.212 1007 HB2 ALA 58 HB2 ALA 58 5.051 8.493 -0.856 1008 HB3 ALA 58 HB3 ALA 58 5.944 9.385 0.377 1009 H LEU 59 HN LEU 59 8.524 7.609 -2.009 1010 HA LEU 59 HA LEU 59 7.304 6.916 -4.590 1011 HB2 LEU 59 HB2 LEU 59 9.342 6.833 -5.737 1012 HB3 LEU 59 HB1 LEU 59 9.371 8.345 -4.858 1013 HG LEU 59 HG LEU 59 10.810 5.839 -3.973 1014 HD11 LEU 59 HD11 LEU 59 11.723 6.656 -6.070 1015 HD12 LEU 59 HD12 LEU 59 12.840 6.973 -4.743 1016 HD13 LEU 59 HD13 LEU 59 11.855 8.281 -5.398 1017 HD21 LEU 59 HD21 LEU 59 10.277 7.371 -2.142 1018 HD22 LEU 59 HD22 LEU 59 11.030 8.696 -3.029 1019 HD23 LEU 59 HD23 LEU 59 12.010 7.341 -2.470 1020 H VAL 60 HN VAL 60 7.150 4.825 -5.057 1021 HA VAL 60 HA VAL 60 8.042 2.914 -3.017 1022 HB VAL 60 HB VAL 60 6.058 2.517 -5.268 1023 HG11 VAL 60 HG11 VAL 60 6.680 0.817 -2.858 1024 HG12 VAL 60 HG12 VAL 60 7.073 0.437 -4.534 1025 HG13 VAL 60 HG13 VAL 60 5.388 0.516 -4.020 1026 HG21 VAL 60 HG21 VAL 60 4.327 2.683 -3.546 1027 HG22 VAL 60 HG22 VAL 60 5.252 4.179 -3.678 1028 HG23 VAL 60 HG23 VAL 60 5.561 3.067 -2.345 1029 H ILE 61 HN ILE 61 9.925 1.955 -3.438 1030 HA ILE 61 HA ILE 61 10.716 1.528 -6.243 1031 HB ILE 61 HB ILE 61 12.453 1.493 -3.767 1032 HG12 ILE 61 HG12 ILE 61 12.216 3.600 -5.928 1033 HG13 ILE 61 HG11 ILE 61 11.550 3.743 -4.306 1034 HG21 ILE 61 HG21 ILE 61 14.323 1.502 -5.351 1035 HG22 ILE 61 HG22 ILE 61 13.184 1.405 -6.692 1036 HG23 ILE 61 HG23 ILE 61 13.310 0.070 -5.548 1037 HD11 ILE 61 HD11 ILE 61 14.469 3.485 -4.990 1038 HD12 ILE 61 HD12 ILE 61 13.796 3.653 -3.369 1039 HD13 ILE 61 HD13 ILE 61 13.637 4.971 -4.531 1040 H ASP 62 HN ASP 62 10.204 -0.437 -6.937 1041 HA ASP 62 HA ASP 62 10.119 -2.694 -7.151 1042 HB2 ASP 62 HB2 ASP 62 12.402 -2.262 -5.343 1043 HB3 ASP 62 HB1 ASP 62 11.703 -3.875 -5.270 1044 H GLY 63 HN GLY 63 8.685 -1.152 -4.781 1045 HA2 GLY 63 HA2 GLY 63 6.641 -2.359 -3.975 1046 HA3 GLY 63 HA1 GLY 63 7.754 -3.604 -3.424 1047 H ALA 64 HN ALA 64 9.713 -1.468 -2.643 1048 HA ALA 64 HA ALA 64 8.642 -1.067 0.025 1049 HB1 ALA 64 HB1 ALA 64 11.370 -0.404 -1.079 1050 HB2 ALA 64 HB2 ALA 64 10.934 -1.904 -0.260 1051 HB3 ALA 64 HB3 ALA 64 10.897 -0.375 0.619 1052 H ALA 65 HN ALA 65 7.659 0.734 0.628 1053 HA ALA 65 HA ALA 65 7.711 3.049 -1.134 1054 HB1 ALA 65 HB1 ALA 65 5.846 3.866 0.194 1055 HB2 ALA 65 HB2 ALA 65 6.061 2.543 1.340 1056 HB3 ALA 65 HB3 ALA 65 5.559 2.202 -0.316 1057 H PHE 66 HN PHE 66 8.951 4.752 -0.805 1058 HA PHE 66 HA PHE 66 9.940 5.273 1.921 1059 HB2 PHE 66 HB2 PHE 66 11.295 5.819 -0.729 1060 HB3 PHE 66 HB1 PHE 66 11.905 6.357 0.832 1061 HD1 PHE 66 HD2 PHE 66 12.478 4.604 2.563 1062 HD2 PHE 66 HD1 PHE 66 11.773 3.676 -1.530 1063 HE1 PHE 66 HE2 PHE 66 13.639 2.456 2.855 1064 HE2 PHE 66 HE1 PHE 66 12.932 1.524 -1.244 1065 HZ PHE 66 HZ PHE 66 13.865 0.913 0.951 1066 H HIS 67 HN HIS 67 9.296 7.095 2.802 1067 HA HIS 67 HA HIS 67 7.742 8.964 1.203 1068 HB2 HIS 67 HB2 HIS 67 8.203 8.756 4.187 1069 HB3 HIS 67 HB1 HIS 67 7.168 9.962 3.426 1070 HD1 HIS 67 HD1 HIS 67 7.196 6.437 4.578 1071 HD2 HIS 67 HD2 HIS 67 4.823 8.892 2.206 1072 HE1 HIS 67 HE1 HIS 67 5.001 5.227 4.277 1073 H ILE 68 HN ILE 68 8.548 10.790 0.417 1074 HA ILE 68 HA ILE 68 11.290 11.479 1.076 1075 HB ILE 68 HB ILE 68 9.475 12.734 -0.989 1076 HG12 ILE 68 HG12 ILE 68 11.583 10.586 -1.331 1077 HG13 ILE 68 HG11 ILE 68 9.845 10.315 -1.388 1078 HG21 ILE 68 HG21 ILE 68 11.347 14.154 -0.322 1079 HG22 ILE 68 HG22 ILE 68 11.554 13.567 -1.972 1080 HG23 ILE 68 HG23 ILE 68 12.473 12.837 -0.656 1081 HD11 ILE 68 HD11 ILE 68 11.425 12.026 -3.293 1082 HD12 ILE 68 HD12 ILE 68 9.685 11.745 -3.357 1083 HD13 ILE 68 HD13 ILE 68 10.804 10.408 -3.616 1084 H ASN 69 HN ASN 69 11.282 12.472 3.025 1085 HA ASN 69 HA ASN 69 11.337 14.251 4.423 1086 HB2 ASN 69 HB2 ASN 69 11.857 15.472 2.245 1087 HB3 ASN 69 HB1 ASN 69 10.160 15.937 2.209 1088 HD21 ASN 69 HD21 ASN 69 9.458 17.569 3.509 1089 HD22 ASN 69 HD22 ASN 69 10.499 18.497 4.528 1090 H PHE 70 HN PHE 70 8.815 12.634 3.684 1091 HA PHE 70 HA PHE 70 6.644 12.449 4.299 1092 HB2 PHE 70 HB2 PHE 70 7.585 12.734 6.560 1093 HB3 PHE 70 HB1 PHE 70 7.421 14.479 6.409 1094 HD1 PHE 70 HD1 PHE 70 5.439 11.335 6.401 1095 HD2 PHE 70 HD2 PHE 70 5.472 15.531 7.105 1096 HE1 PHE 70 HE1 PHE 70 3.171 11.192 7.345 1097 HE2 PHE 70 HE2 PHE 70 3.204 15.396 8.047 1098 HZ PHE 70 HZ PHE 70 2.051 13.224 8.170 1099 H GLY 71 HN GLY 71 5.916 13.327 2.333 1100 HA2 GLY 71 HA2 GLY 71 5.574 16.089 1.869 1101 HA3 GLY 71 HA1 GLY 71 4.761 14.792 1.002 1102 H ALA 72 HN ALA 72 2.758 14.011 1.770 1103 HA ALA 72 HA ALA 72 1.569 15.525 3.991 1104 HB1 ALA 72 HB1 ALA 72 0.915 16.769 1.991 1105 HB2 ALA 72 HB2 ALA 72 -0.478 16.018 2.767 1106 HB3 ALA 72 HB3 ALA 72 0.208 15.305 1.307 1107 H GLY 73 HN GLY 73 0.178 14.351 5.234 1108 HA2 GLY 73 HA2 GLY 73 0.275 11.548 5.079 1109 HA3 GLY 73 HA1 GLY 73 -0.844 12.469 6.073 1110 H ILE 74 HN ILE 74 -1.082 9.993 4.293 1111 HA ILE 74 HA ILE 74 -2.710 10.680 2.081 1112 HB ILE 74 HB ILE 74 -1.547 8.488 2.323 1113 HG12 ILE 74 HG12 ILE 74 -4.543 8.277 1.940 1114 HG13 ILE 74 HG11 ILE 74 -3.396 8.798 0.710 1115 HG21 ILE 74 HG21 ILE 74 -2.599 6.718 3.665 1116 HG22 ILE 74 HG22 ILE 74 -3.728 7.902 4.321 1117 HG23 ILE 74 HG23 ILE 74 -2.004 8.044 4.664 1118 HD11 ILE 74 HD11 ILE 74 -3.497 6.078 1.995 1119 HD12 ILE 74 HD12 ILE 74 -2.342 6.597 0.767 1120 HD13 ILE 74 HD13 ILE 74 -4.057 6.490 0.374 1121 H ASP 75 HN ASP 75 -3.353 10.292 5.461 1122 HA ASP 75 HA ASP 75 -6.210 9.989 5.111 1123 HB2 ASP 75 HB2 ASP 75 -4.847 8.900 6.969 1124 HB3 ASP 75 HB1 ASP 75 -4.741 10.497 7.701 1125 H ASP 76 HN ASP 76 -4.086 12.530 4.974 1126 HA ASP 76 HA ASP 76 -5.798 14.543 6.141 1127 HB2 ASP 76 HB2 ASP 76 -3.302 14.683 4.451 1128 HB3 ASP 76 HB1 ASP 76 -4.212 16.124 4.890 1129 H LEU 77 HN LEU 77 -5.369 12.999 3.090 1130 HA LEU 77 HA LEU 77 -7.069 14.919 1.691 1131 HB2 LEU 77 HB2 LEU 77 -5.787 12.366 0.700 1132 HB3 LEU 77 HB1 LEU 77 -6.602 13.558 -0.292 1133 HG LEU 77 HG LEU 77 -4.056 14.049 1.256 1134 HD11 LEU 77 HD11 LEU 77 -3.701 12.488 -0.574 1135 HD12 LEU 77 HD12 LEU 77 -2.977 14.054 -0.940 1136 HD13 LEU 77 HD13 LEU 77 -4.505 13.592 -1.690 1137 HD21 LEU 77 HD21 LEU 77 -3.954 16.124 -0.031 1138 HD22 LEU 77 HD22 LEU 77 -5.404 16.061 0.971 1139 HD23 LEU 77 HD23 LEU 77 -5.515 15.750 -0.762 1140 H LYS 78 HN LYS 78 -7.502 12.455 3.737 1141 HA LYS 78 HA LYS 78 -9.883 11.379 2.384 1142 HB2 LYS 78 HB2 LYS 78 -8.334 9.609 2.422 1143 HB3 LYS 78 HB1 LYS 78 -7.739 10.043 4.015 1144 HG2 LYS 78 HG2 LYS 78 -9.929 9.330 4.955 1145 HG3 LYS 78 HG1 LYS 78 -10.370 8.751 3.347 1146 HD2 LYS 78 HD2 LYS 78 -8.716 7.094 3.366 1147 HD3 LYS 78 HD1 LYS 78 -7.847 7.854 4.701 1148 HE2 LYS 78 HE2 LYS 78 -10.567 6.559 4.876 1149 HE3 LYS 78 HE1 LYS 78 -9.049 5.848 5.428 1150 HZ1 LYS 78 HZ1 LYS 78 -10.344 8.303 6.493 1151 HZ2 LYS 78 HZ2 LYS 78 -8.816 7.747 6.966 1152 HZ3 LYS 78 HZ3 LYS 78 -10.197 6.811 7.287 1153 H GLY 79 HN GLY 79 -11.742 11.125 3.612 1154 HA2 GLY 79 HA2 GLY 79 -11.725 12.362 6.270 1155 HA3 GLY 79 HA1 GLY 79 -13.152 11.941 5.327 1156 H SER 80 HN SER 80 -14.276 10.360 6.249 1157 HA SER 80 HA SER 80 -12.811 7.986 7.141 1158 HB2 SER 80 HB2 SER 80 -15.111 9.237 8.670 1159 HB3 SER 80 HB1 SER 80 -14.236 7.772 9.115 1160 HG SER 80 HG SER 80 -12.373 9.534 8.841 Start of MODEL 2 1 H1 VAL 1 HT1 VAL 1 29.219 15.004 -15.421 2 H2 VAL 1 HT2 VAL 1 28.463 15.930 -16.621 3 H3 VAL 1 HT3 VAL 1 27.724 14.516 -16.056 4 HA VAL 1 HA VAL 1 28.242 16.942 -14.443 5 HB VAL 1 HB VAL 1 25.609 15.880 -15.491 6 HG11 VAL 1 HG11 VAL 1 26.251 18.362 -13.900 7 HG12 VAL 1 HG12 VAL 1 25.394 16.937 -13.311 8 HG13 VAL 1 HG13 VAL 1 24.669 17.948 -14.562 9 HG21 VAL 1 HG21 VAL 1 26.907 16.888 -17.282 10 HG22 VAL 1 HG22 VAL 1 27.171 18.330 -16.301 11 HG23 VAL 1 HG23 VAL 1 25.545 17.923 -16.851 12 H ALA 2 HN ALA 2 28.671 16.300 -12.462 13 HA ALA 2 HA ALA 2 26.979 14.220 -11.264 14 HB1 ALA 2 HB1 ALA 2 28.903 13.244 -10.130 15 HB2 ALA 2 HB2 ALA 2 29.974 14.387 -10.941 16 HB3 ALA 2 HB3 ALA 2 29.105 13.174 -11.881 17 H SER 3 HN SER 3 25.836 15.396 -9.874 18 HA SER 3 HA SER 3 26.949 17.603 -8.407 19 HB2 SER 3 HB2 SER 3 24.310 16.179 -7.975 20 HB3 SER 3 HB1 SER 3 24.742 17.799 -7.430 21 HG SER 3 HG SER 3 24.285 18.557 -9.336 22 H LYS 4 HN LYS 4 26.042 17.361 -5.852 23 HA LYS 4 HA LYS 4 27.447 14.959 -4.885 24 HB2 LYS 4 HB2 LYS 4 28.491 17.247 -4.430 25 HB3 LYS 4 HB1 LYS 4 27.142 17.523 -3.333 26 HG2 LYS 4 HG2 LYS 4 27.781 15.613 -2.005 27 HG3 LYS 4 HG1 LYS 4 29.078 15.229 -3.137 28 HD2 LYS 4 HD2 LYS 4 30.043 17.497 -2.623 29 HD3 LYS 4 HD1 LYS 4 28.853 17.616 -1.321 30 HE2 LYS 4 HE2 LYS 4 29.737 15.531 -0.359 31 HE3 LYS 4 HE1 LYS 4 30.950 15.476 -1.635 32 HZ1 LYS 4 HZ1 LYS 4 30.677 17.632 0.388 33 HZ2 LYS 4 HZ2 LYS 4 31.859 17.549 -0.826 34 HZ3 LYS 4 HZ3 LYS 4 31.836 16.394 0.415 35 H ALA 5 HN ALA 5 26.610 13.892 -3.041 36 HA ALA 5 HA ALA 5 23.927 14.696 -2.174 37 HB1 ALA 5 HB1 ALA 5 23.611 13.059 -3.971 38 HB2 ALA 5 HB2 ALA 5 23.085 12.420 -2.413 39 HB3 ALA 5 HB3 ALA 5 24.627 11.910 -3.100 40 H ILE 6 HN ILE 6 24.155 14.981 -0.058 41 HA ILE 6 HA ILE 6 26.009 13.272 1.441 42 HB ILE 6 HB ILE 6 24.525 15.727 2.397 43 HG12 ILE 6 HG12 ILE 6 26.122 16.273 0.597 44 HG13 ILE 6 HG11 ILE 6 26.647 16.921 2.147 45 HG21 ILE 6 HG21 ILE 6 25.147 14.230 4.201 46 HG22 ILE 6 HG22 ILE 6 26.145 15.683 4.244 47 HG23 ILE 6 HG23 ILE 6 26.808 14.176 3.611 48 HD11 ILE 6 HD11 ILE 6 28.518 16.005 0.936 49 HD12 ILE 6 HD12 ILE 6 27.702 14.448 0.797 50 HD13 ILE 6 HD13 ILE 6 28.207 15.042 2.379 51 H PHE 7 HN PHE 7 25.270 11.620 2.599 52 HA PHE 7 HA PHE 7 22.368 11.465 3.070 53 HB2 PHE 7 HB2 PHE 7 23.435 9.729 1.599 54 HB3 PHE 7 HB1 PHE 7 24.369 9.196 2.990 55 HD1 PHE 7 HD1 PHE 7 20.974 9.467 1.589 56 HD2 PHE 7 HD2 PHE 7 23.422 7.780 4.634 57 HE1 PHE 7 HE1 PHE 7 19.146 7.944 2.210 58 HE2 PHE 7 HE2 PHE 7 21.596 6.255 5.262 59 HZ PHE 7 HZ PHE 7 19.456 6.335 4.048 60 H TYR 8 HN TYR 8 22.031 12.272 5.062 61 HA TYR 8 HA TYR 8 23.824 11.562 7.262 62 HB2 TYR 8 HB2 TYR 8 21.484 13.459 7.047 63 HB3 TYR 8 HB1 TYR 8 22.238 13.067 8.584 64 HD1 TYR 8 HD1 TYR 8 24.797 13.510 8.747 65 HD2 TYR 8 HD2 TYR 8 22.268 15.250 5.801 66 HE1 TYR 8 HE1 TYR 8 26.429 15.320 8.425 67 HE2 TYR 8 HE2 TYR 8 23.898 17.062 5.466 68 HH TYR 8 HH TYR 8 27.068 16.946 6.734 69 H HIS 9 HN HIS 9 23.349 9.985 8.718 70 HA HIS 9 HA HIS 9 20.602 9.474 9.412 71 HB2 HIS 9 HB2 HIS 9 20.464 7.187 8.812 72 HB3 HIS 9 HB1 HIS 9 21.022 8.034 7.377 73 HD2 HIS 9 HD2 HIS 9 23.907 7.727 6.962 74 HE1 HIS 9 HE1 HIS 9 23.865 4.012 8.982 75 HE2 HIS 9 HE2 HIS 9 25.056 5.412 7.240 76 H ALA 10 HN ALA 10 20.496 7.688 11.137 77 HA ALA 10 HA ALA 10 22.789 8.137 12.930 78 HB1 ALA 10 HB1 ALA 10 21.226 7.932 14.787 79 HB2 ALA 10 HB2 ALA 10 19.907 7.630 13.656 80 HB3 ALA 10 HB3 ALA 10 20.715 9.198 13.671 81 H GLY 11 HN GLY 11 21.921 5.834 10.956 82 HA2 GLY 11 HA2 GLY 11 22.716 3.647 10.927 83 HA3 GLY 11 HA1 GLY 11 23.042 3.766 12.648 84 H CYS 12 HN CYS 12 19.929 4.795 12.039 85 HA CYS 12 HA CYS 12 18.780 2.536 13.339 86 HB2 CYS 12 HB2 CYS 12 17.369 4.788 11.893 87 HB3 CYS 12 HB1 CYS 12 16.683 3.730 13.123 88 HG CYS 12 HG CYS 12 17.305 5.189 15.139 89 HA PRO 13 HA PRO 13 17.836 -0.266 10.081 90 HB2 PRO 13 HB2 PRO 13 15.032 -0.259 11.103 91 HB3 PRO 13 HB1 PRO 13 16.114 -1.621 10.792 92 HG2 PRO 13 HG2 PRO 13 15.664 -0.822 13.279 93 HG3 PRO 13 HG1 PRO 13 17.294 -1.306 12.772 94 HD2 PRO 13 HD2 PRO 13 16.179 1.433 13.212 95 HD3 PRO 13 HD1 PRO 13 17.797 0.800 13.578 96 H VAL 14 HN VAL 14 15.313 2.176 10.630 97 HA VAL 14 HA VAL 14 14.116 2.126 8.107 98 HB VAL 14 HB VAL 14 14.468 4.590 9.824 99 HG11 VAL 14 HG11 VAL 14 12.346 5.291 8.831 100 HG12 VAL 14 HG12 VAL 14 12.315 3.821 7.857 101 HG13 VAL 14 HG13 VAL 14 13.578 5.024 7.595 102 HG21 VAL 14 HG21 VAL 14 13.625 2.778 11.206 103 HG22 VAL 14 HG22 VAL 14 12.362 2.438 10.022 104 HG23 VAL 14 HG23 VAL 14 12.355 3.964 10.907 105 H CYS 15 HN CYS 15 16.979 3.785 9.275 106 HA CYS 15 HA CYS 15 17.387 5.411 6.978 107 HB2 CYS 15 HB2 CYS 15 19.416 4.492 9.025 108 HB3 CYS 15 HB1 CYS 15 19.579 5.858 7.928 109 HG CYS 15 HG CYS 15 17.368 7.233 9.141 110 H VAL 16 HN VAL 16 18.600 2.271 8.041 111 HA VAL 16 HA VAL 16 20.503 1.889 6.010 112 HB VAL 16 HB VAL 16 18.942 -0.248 7.478 113 HG11 VAL 16 HG11 VAL 16 20.898 -1.659 7.029 114 HG12 VAL 16 HG12 VAL 16 21.621 -0.350 6.094 115 HG13 VAL 16 HG13 VAL 16 20.130 -1.112 5.538 116 HG21 VAL 16 HG21 VAL 16 20.817 -0.273 9.057 117 HG22 VAL 16 HG22 VAL 16 19.998 1.289 9.045 118 HG23 VAL 16 HG23 VAL 16 21.543 1.095 8.215 119 H SER 17 HN SER 17 17.049 1.160 6.174 120 HA SER 17 HA SER 17 16.821 -0.276 3.780 121 HB2 SER 17 HB2 SER 17 14.788 1.592 5.024 122 HB3 SER 17 HB1 SER 17 14.450 0.305 3.867 123 HG SER 17 HG SER 17 15.663 -0.990 5.654 124 H ALA 18 HN ALA 18 16.559 3.213 4.415 125 HA ALA 18 HA ALA 18 16.008 3.957 1.744 126 HB1 ALA 18 HB1 ALA 18 15.534 5.429 3.632 127 HB2 ALA 18 HB2 ALA 18 16.575 6.226 2.452 128 HB3 ALA 18 HB3 ALA 18 17.262 5.590 3.948 129 H GLU 19 HN GLU 19 18.978 3.482 3.547 130 HA GLU 19 HA GLU 19 20.773 4.559 1.663 131 HB2 GLU 19 HB2 GLU 19 21.358 4.036 4.012 132 HB3 GLU 19 HB1 GLU 19 21.227 2.321 3.646 133 HG2 GLU 19 HG2 GLU 19 23.026 2.677 1.919 134 HG3 GLU 19 HG1 GLU 19 23.249 4.282 2.612 135 H GLN 20 HN GLN 20 19.770 1.191 2.254 136 HA GLN 20 HA GLN 20 21.374 0.219 0.094 137 HB2 GLN 20 HB2 GLN 20 19.282 -1.178 1.764 138 HB3 GLN 20 HB1 GLN 20 20.392 -1.974 0.654 139 HG2 GLN 20 HG2 GLN 20 22.284 -1.157 1.981 140 HG3 GLN 20 HG1 GLN 20 21.155 -0.402 3.103 141 HE21 GLN 20 HE21 GLN 20 23.166 -2.433 3.573 142 HE22 GLN 20 HE22 GLN 20 22.331 -3.792 4.243 143 H ALA 21 HN ALA 21 18.326 1.646 0.153 144 HA ALA 21 HA ALA 21 17.640 0.332 -2.391 145 HB1 ALA 21 HB1 ALA 21 15.925 0.166 -0.641 146 HB2 ALA 21 HB2 ALA 21 15.361 1.051 -2.058 147 HB3 ALA 21 HB3 ALA 21 15.820 1.926 -0.598 148 H VAL 22 HN VAL 22 17.299 3.573 -0.891 149 HA VAL 22 HA VAL 22 16.953 4.803 -3.449 150 HB VAL 22 HB VAL 22 17.541 6.183 -0.827 151 HG11 VAL 22 HG11 VAL 22 16.406 8.090 -1.858 152 HG12 VAL 22 HG12 VAL 22 16.195 7.164 -3.344 153 HG13 VAL 22 HG13 VAL 22 17.816 7.600 -2.800 154 HG21 VAL 22 HG21 VAL 22 15.108 6.410 -0.592 155 HG22 VAL 22 HG22 VAL 22 15.613 4.720 -0.572 156 HG23 VAL 22 HG23 VAL 22 14.883 5.406 -2.023 157 H ALA 23 HN ALA 23 19.618 4.703 -1.088 158 HA ALA 23 HA ALA 23 21.341 6.285 -2.773 159 HB1 ALA 23 HB1 ALA 23 23.079 5.804 -1.110 160 HB2 ALA 23 HB2 ALA 23 21.992 4.669 -0.309 161 HB3 ALA 23 HB3 ALA 23 21.594 6.387 -0.357 162 H ASN 24 HN ASN 24 20.251 3.216 -2.996 163 HA ASN 24 HA ASN 24 22.644 2.182 -4.336 164 HB2 ASN 24 HB2 ASN 24 21.237 0.752 -2.771 165 HB3 ASN 24 HB1 ASN 24 19.955 0.837 -3.969 166 HD21 ASN 24 HD21 ASN 24 21.437 -1.430 -2.881 167 HD22 ASN 24 HD22 ASN 24 22.103 -2.259 -4.248 168 H ALA 25 HN ALA 25 19.497 3.520 -4.859 169 HA ALA 25 HA ALA 25 19.344 2.926 -7.656 170 HB1 ALA 25 HB1 ALA 25 17.416 4.421 -7.654 171 HB2 ALA 25 HB2 ALA 25 17.815 4.946 -6.019 172 HB3 ALA 25 HB3 ALA 25 17.329 3.277 -6.314 173 H ILE 26 HN ILE 26 20.518 5.563 -5.679 174 HA ILE 26 HA ILE 26 21.017 7.346 -7.853 175 HB ILE 26 HB ILE 26 22.237 7.295 -5.084 176 HG12 ILE 26 HG12 ILE 26 19.953 8.936 -6.205 177 HG13 ILE 26 HG11 ILE 26 19.777 7.568 -5.111 178 HG21 ILE 26 HG21 ILE 26 22.229 9.479 -7.166 179 HG22 ILE 26 HG22 ILE 26 23.628 8.538 -6.650 180 HG23 ILE 26 HG23 ILE 26 22.835 9.633 -5.518 181 HD11 ILE 26 HD11 ILE 26 19.570 9.680 -3.934 182 HD12 ILE 26 HD12 ILE 26 21.176 10.158 -4.484 183 HD13 ILE 26 HD13 ILE 26 20.991 8.790 -3.386 184 H ASP 27 HN ASP 27 22.703 7.407 -9.207 185 HA ASP 27 HA ASP 27 24.589 5.209 -9.094 186 HB2 ASP 27 HB2 ASP 27 23.413 5.876 -11.208 187 HB3 ASP 27 HB1 ASP 27 24.338 7.373 -11.193 188 HA PRO 28 HA PRO 28 27.757 7.556 -7.086 189 HB2 PRO 28 HB2 PRO 28 29.896 6.034 -7.896 190 HB3 PRO 28 HB1 PRO 28 28.822 5.611 -6.559 191 HG2 PRO 28 HG2 PRO 28 28.796 4.644 -9.390 192 HG3 PRO 28 HG1 PRO 28 28.553 3.727 -7.891 193 HD2 PRO 28 HD2 PRO 28 26.487 4.465 -9.436 194 HD3 PRO 28 HD1 PRO 28 26.358 4.440 -7.664 195 H SER 29 HN SER 29 27.711 6.971 -10.516 196 HA SER 29 HA SER 29 29.800 8.983 -10.952 197 HB2 SER 29 HB2 SER 29 28.368 7.221 -12.954 198 HB3 SER 29 HB1 SER 29 29.758 8.257 -13.283 199 HG SER 29 HG SER 29 30.368 6.688 -11.230 200 H LYS 30 HN LYS 30 26.692 9.064 -10.265 201 HA LYS 30 HA LYS 30 26.116 11.268 -12.133 202 HB2 LYS 30 HB2 LYS 30 24.524 9.338 -12.205 203 HB3 LYS 30 HB1 LYS 30 24.133 9.646 -10.518 204 HG2 LYS 30 HG2 LYS 30 23.327 11.885 -11.138 205 HG3 LYS 30 HG1 LYS 30 23.667 11.518 -12.830 206 HD2 LYS 30 HD2 LYS 30 22.095 9.614 -12.693 207 HD3 LYS 30 HD1 LYS 30 21.716 10.081 -11.033 208 HE2 LYS 30 HE2 LYS 30 20.012 10.957 -12.478 209 HE3 LYS 30 HE1 LYS 30 20.988 12.298 -11.880 210 HZ1 LYS 30 HZ1 LYS 30 20.582 12.582 -14.208 211 HZ2 LYS 30 HZ2 LYS 30 21.163 11.034 -14.565 212 HZ3 LYS 30 HZ3 LYS 30 22.227 12.234 -13.999 213 H TYR 31 HN TYR 31 26.053 10.178 -8.790 214 HA TYR 31 HA TYR 31 26.206 12.983 -7.944 215 HB2 TYR 31 HB2 TYR 31 24.371 10.859 -6.856 216 HB3 TYR 31 HB1 TYR 31 24.875 12.225 -5.869 217 HD1 TYR 31 HD2 TYR 31 22.976 11.235 -8.873 218 HD2 TYR 31 HD1 TYR 31 23.969 14.405 -6.216 219 HE1 TYR 31 HE2 TYR 31 21.181 12.606 -9.844 220 HE2 TYR 31 HE1 TYR 31 22.177 15.784 -7.180 221 HH TYR 31 HH TYR 31 20.892 15.946 -9.249 222 H THR 32 HN THR 32 27.588 13.389 -6.306 223 HA THR 32 HA THR 32 29.418 11.285 -5.526 224 HB THR 32 HB THR 32 29.405 14.140 -4.534 225 HG1 THR 32 HG1 THR 32 29.367 14.063 -6.865 226 HG21 THR 32 HG21 THR 32 31.619 12.118 -4.916 227 HG22 THR 32 HG22 THR 32 30.916 12.609 -3.374 228 HG23 THR 32 HG23 THR 32 31.828 13.771 -4.339 229 H VAL 33 HN VAL 33 28.421 9.914 -4.111 230 HA VAL 33 HA VAL 33 26.639 11.001 -2.083 231 HB VAL 33 HB VAL 33 27.293 8.114 -2.697 232 HG11 VAL 33 HG11 VAL 33 25.230 7.629 -1.446 233 HG12 VAL 33 HG12 VAL 33 25.087 9.340 -1.043 234 HG13 VAL 33 HG13 VAL 33 26.452 8.402 -0.437 235 HG21 VAL 33 HG21 VAL 33 26.255 9.181 -4.611 236 HG22 VAL 33 HG22 VAL 33 24.971 9.821 -3.585 237 HG23 VAL 33 HG23 VAL 33 25.113 8.081 -3.838 238 H GLU 34 HN GLU 34 27.430 11.616 -0.205 239 HA GLU 34 HA GLU 34 29.531 9.957 1.034 240 HB2 GLU 34 HB2 GLU 34 28.970 12.888 1.536 241 HB3 GLU 34 HB1 GLU 34 30.193 11.925 2.352 242 HG2 GLU 34 HG2 GLU 34 31.128 11.518 -0.013 243 HG3 GLU 34 HG1 GLU 34 30.138 12.904 -0.470 244 H ILE 35 HN ILE 35 28.682 8.702 2.544 245 HA ILE 35 HA ILE 35 26.201 9.479 3.844 246 HB ILE 35 HB ILE 35 27.807 6.925 4.036 247 HG12 ILE 35 HG12 ILE 35 25.236 7.559 2.563 248 HG13 ILE 35 HG11 ILE 35 26.814 7.344 1.814 249 HG21 ILE 35 HG21 ILE 35 25.817 5.992 5.121 250 HG22 ILE 35 HG22 ILE 35 25.060 7.584 5.092 251 HG23 ILE 35 HG23 ILE 35 26.511 7.315 6.058 252 HD11 ILE 35 HD11 ILE 35 26.849 5.021 2.563 253 HD12 ILE 35 HD12 ILE 35 25.441 5.362 1.559 254 HD13 ILE 35 HD13 ILE 35 25.267 5.240 3.310 255 H VAL 36 HN VAL 36 26.065 10.250 5.842 256 HA VAL 36 HA VAL 36 28.530 10.333 7.461 257 HB VAL 36 HB VAL 36 26.327 12.403 7.366 258 HG11 VAL 36 HG11 VAL 36 27.839 13.749 8.749 259 HG12 VAL 36 HG12 VAL 36 28.966 12.394 8.825 260 HG13 VAL 36 HG13 VAL 36 27.367 12.253 9.557 261 HG21 VAL 36 HG21 VAL 36 28.001 13.850 6.300 262 HG22 VAL 36 HG22 VAL 36 27.641 12.429 5.321 263 HG23 VAL 36 HG23 VAL 36 29.132 12.497 6.259 264 H HIS 37 HN HIS 37 28.377 9.134 9.214 265 HA HIS 37 HA HIS 37 25.795 8.303 10.227 266 HB2 HIS 37 HB2 HIS 37 27.904 6.841 9.988 267 HB3 HIS 37 HB1 HIS 37 28.469 7.647 11.447 268 HD2 HIS 37 HD2 HIS 37 25.954 4.950 10.318 269 HE1 HIS 37 HE1 HIS 37 25.830 5.219 14.536 270 HE2 HIS 37 HE2 HIS 37 25.286 3.770 12.529 271 H LEU 38 HN LEU 38 24.722 9.630 11.531 272 HA LEU 38 HA LEU 38 26.109 11.607 13.141 273 HB2 LEU 38 HB2 LEU 38 23.161 11.021 12.852 274 HB3 LEU 38 HB1 LEU 38 23.844 12.399 13.692 275 HG LEU 38 HG LEU 38 24.094 11.855 10.732 276 HD11 LEU 38 HD11 LEU 38 22.444 13.877 12.240 277 HD12 LEU 38 HD12 LEU 38 21.830 12.470 11.371 278 HD13 LEU 38 HD13 LEU 38 22.610 13.782 10.488 279 HD21 LEU 38 HD21 LEU 38 25.045 14.099 10.620 280 HD22 LEU 38 HD22 LEU 38 26.029 13.038 11.630 281 HD23 LEU 38 HD23 LEU 38 24.962 14.228 12.377 282 H GLY 39 HN GLY 39 25.424 8.438 13.582 283 HA2 GLY 39 HA2 GLY 39 24.540 8.618 16.350 284 HA3 GLY 39 HA1 GLY 39 24.813 7.142 15.434 285 H THR 40 HN THR 40 27.466 8.090 14.548 286 HA THR 40 HA THR 40 28.958 6.996 16.728 287 HB THR 40 HB THR 40 30.016 8.254 14.185 288 HG1 THR 40 HG1 THR 40 28.498 6.427 13.926 289 HG21 THR 40 HG21 THR 40 31.974 6.826 14.592 290 HG22 THR 40 HG22 THR 40 31.253 6.274 16.104 291 HG23 THR 40 HG23 THR 40 31.720 7.964 15.916 292 H ASP 41 HN ASP 41 29.040 10.164 15.070 293 HA ASP 41 HA ASP 41 30.254 11.282 17.511 294 HB2 ASP 41 HB2 ASP 41 31.834 11.416 15.695 295 HB3 ASP 41 HB1 ASP 41 30.618 12.114 14.628 296 H LYS 42 HN LYS 42 29.394 13.110 18.396 297 HA LYS 42 HA LYS 42 26.668 13.681 17.555 298 HB2 LYS 42 HB2 LYS 42 28.209 14.521 20.012 299 HB3 LYS 42 HB1 LYS 42 26.528 14.924 19.701 300 HG2 LYS 42 HG2 LYS 42 25.988 12.520 19.667 301 HG3 LYS 42 HG1 LYS 42 27.667 12.166 20.085 302 HD2 LYS 42 HD2 LYS 42 27.432 13.422 22.157 303 HD3 LYS 42 HD1 LYS 42 25.773 13.842 21.730 304 HE2 LYS 42 HE2 LYS 42 25.716 12.037 23.295 305 HE3 LYS 42 HE1 LYS 42 25.224 11.424 21.719 306 HZ1 LYS 42 HZ1 LYS 42 27.936 11.137 22.891 307 HZ2 LYS 42 HZ2 LYS 42 27.413 10.486 21.414 308 HZ3 LYS 42 HZ3 LYS 42 26.746 9.930 22.874 309 H ALA 43 HN ALA 43 29.770 15.108 17.310 310 HA ALA 43 HA ALA 43 28.965 17.841 17.297 311 HB1 ALA 43 HB1 ALA 43 31.181 18.309 16.428 312 HB2 ALA 43 HB2 ALA 43 31.426 16.600 16.071 313 HB3 ALA 43 HB3 ALA 43 31.281 17.138 17.744 314 H ARG 44 HN ARG 44 28.865 15.296 15.004 315 HA ARG 44 HA ARG 44 28.752 16.822 12.622 316 HB2 ARG 44 HB2 ARG 44 27.500 14.135 13.213 317 HB3 ARG 44 HB1 ARG 44 27.763 14.817 11.616 318 HG2 ARG 44 HG2 ARG 44 30.188 14.752 12.004 319 HG3 ARG 44 HG1 ARG 44 29.897 14.018 13.585 320 HD2 ARG 44 HD2 ARG 44 28.759 12.143 12.491 321 HD3 ARG 44 HD1 ARG 44 29.079 12.872 10.920 322 HE ARG 44 HE ARG 44 31.022 11.577 12.683 323 HH11 ARG 44 HH11 ARG 44 30.419 13.373 9.742 324 HH12 ARG 44 HH12 ARG 44 31.800 12.725 8.911 325 HH21 ARG 44 HH21 ARG 44 32.858 10.759 11.623 326 HH22 ARG 44 HH22 ARG 44 33.203 11.242 9.987 327 H ILE 45 HN ILE 45 26.498 16.278 15.155 328 HA ILE 45 HA ILE 45 24.080 16.610 13.724 329 HB ILE 45 HB ILE 45 24.679 17.129 16.644 330 HG12 ILE 45 HG12 ILE 45 23.467 14.726 15.260 331 HG13 ILE 45 HG11 ILE 45 25.105 14.811 15.899 332 HG21 ILE 45 HG21 ILE 45 22.658 18.296 15.970 333 HG22 ILE 45 HG22 ILE 45 22.258 16.913 16.989 334 HG23 ILE 45 HG23 ILE 45 22.027 16.818 15.243 335 HD11 ILE 45 HD11 ILE 45 24.205 15.088 18.153 336 HD12 ILE 45 HD12 ILE 45 23.635 13.599 17.399 337 HD13 ILE 45 HD13 ILE 45 22.566 14.998 17.505 338 H ALA 46 HN ALA 46 26.355 18.856 15.177 339 HA ALA 46 HA ALA 46 24.839 21.208 15.035 340 HB1 ALA 46 HB1 ALA 46 26.980 22.391 15.033 341 HB2 ALA 46 HB2 ALA 46 27.818 20.881 14.673 342 HB3 ALA 46 HB3 ALA 46 26.978 21.079 16.211 343 H GLU 47 HN GLU 47 26.870 19.598 12.636 344 HA GLU 47 HA GLU 47 26.679 21.522 10.598 345 HB2 GLU 47 HB2 GLU 47 26.996 18.519 10.384 346 HB3 GLU 47 HB1 GLU 47 27.254 19.655 9.067 347 HG2 GLU 47 HG2 GLU 47 29.107 20.657 10.245 348 HG3 GLU 47 HG1 GLU 47 28.815 19.620 11.640 349 H ALA 48 HN ALA 48 24.723 18.671 11.339 350 HA ALA 48 HA ALA 48 22.987 18.821 9.145 351 HB1 ALA 48 HB1 ALA 48 21.530 17.342 10.413 352 HB2 ALA 48 HB2 ALA 48 22.430 17.697 11.888 353 HB3 ALA 48 HB3 ALA 48 23.212 16.836 10.563 354 H GLU 49 HN GLU 49 22.675 20.137 12.434 355 HA GLU 49 HA GLU 49 20.082 21.168 12.139 356 HB2 GLU 49 HB2 GLU 49 21.172 20.890 14.318 357 HB3 GLU 49 HB1 GLU 49 22.315 22.165 13.916 358 HG2 GLU 49 HG2 GLU 49 20.452 23.761 13.775 359 HG3 GLU 49 HG1 GLU 49 19.340 22.475 14.246 360 H LYS 50 HN LYS 50 23.245 22.687 11.613 361 HA LYS 50 HA LYS 50 22.091 25.230 10.972 362 HB2 LYS 50 HB2 LYS 50 24.905 24.206 10.556 363 HB3 LYS 50 HB1 LYS 50 24.394 25.880 10.375 364 HG2 LYS 50 HG2 LYS 50 23.760 25.930 12.746 365 HG3 LYS 50 HG1 LYS 50 24.323 24.268 12.918 366 HD2 LYS 50 HD2 LYS 50 26.582 25.012 12.207 367 HD3 LYS 50 HD1 LYS 50 25.987 26.673 12.184 368 HE2 LYS 50 HE2 LYS 50 26.073 24.847 14.584 369 HE3 LYS 50 HE1 LYS 50 27.168 26.191 14.265 370 HZ1 LYS 50 HZ1 LYS 50 24.239 26.392 14.729 371 HZ2 LYS 50 HZ2 LYS 50 25.261 27.697 14.372 372 HZ3 LYS 50 HZ3 LYS 50 25.457 26.837 15.821 373 H ALA 51 HN ALA 51 22.532 22.358 9.246 374 HA ALA 51 HA ALA 51 22.604 23.655 6.643 375 HB1 ALA 51 HB1 ALA 51 22.378 20.727 7.339 376 HB2 ALA 51 HB2 ALA 51 23.876 21.588 6.980 377 HB3 ALA 51 HB3 ALA 51 22.647 21.396 5.729 378 H GLY 52 HN GLY 52 20.301 22.523 8.900 379 HA2 GLY 52 HA2 GLY 52 18.002 23.134 8.691 380 HA3 GLY 52 HA1 GLY 52 18.171 23.045 6.944 381 H VAL 53 HN VAL 53 19.552 20.517 8.840 382 HA VAL 53 HA VAL 53 17.726 18.605 7.666 383 HB VAL 53 HB VAL 53 20.061 18.181 9.543 384 HG11 VAL 53 HG11 VAL 53 19.922 15.823 8.884 385 HG12 VAL 53 HG12 VAL 53 18.462 16.172 7.959 386 HG13 VAL 53 HG13 VAL 53 18.458 16.354 9.713 387 HG21 VAL 53 HG21 VAL 53 20.723 19.091 7.378 388 HG22 VAL 53 HG22 VAL 53 19.839 17.803 6.559 389 HG23 VAL 53 HG23 VAL 53 21.247 17.416 7.548 390 H LYS 54 HN LYS 54 15.994 17.785 8.607 391 HA LYS 54 HA LYS 54 15.429 18.528 11.391 392 HB2 LYS 54 HB2 LYS 54 13.578 17.525 9.223 393 HB3 LYS 54 HB1 LYS 54 13.086 18.036 10.829 394 HG2 LYS 54 HG2 LYS 54 13.751 20.298 10.367 395 HG3 LYS 54 HG1 LYS 54 14.408 19.819 8.800 396 HD2 LYS 54 HD2 LYS 54 12.219 19.227 8.001 397 HD3 LYS 54 HD1 LYS 54 11.518 19.502 9.596 398 HE2 LYS 54 HE2 LYS 54 12.804 21.593 7.846 399 HE3 LYS 54 HE1 LYS 54 11.071 21.368 8.080 400 HZ1 LYS 54 HZ1 LYS 54 13.073 22.236 10.088 401 HZ2 LYS 54 HZ2 LYS 54 11.505 21.744 10.505 402 HZ3 LYS 54 HZ3 LYS 54 11.729 23.100 9.513 403 H SER 55 HN SER 55 15.590 15.769 9.205 404 HA SER 55 HA SER 55 15.493 13.969 11.499 405 HB2 SER 55 HB2 SER 55 13.643 13.636 9.128 406 HB3 SER 55 HB1 SER 55 13.705 12.630 10.577 407 HG SER 55 HG SER 55 13.385 15.114 11.387 408 H VAL 56 HN VAL 56 15.890 11.668 10.781 409 HA VAL 56 HA VAL 56 17.481 11.548 8.311 410 HB VAL 56 HB VAL 56 19.068 10.005 9.401 411 HG11 VAL 56 HG11 VAL 56 18.835 12.684 10.766 412 HG12 VAL 56 HG12 VAL 56 19.638 12.361 9.230 413 HG13 VAL 56 HG13 VAL 56 20.282 11.676 10.722 414 HG21 VAL 56 HG21 VAL 56 17.627 10.742 11.945 415 HG22 VAL 56 HG22 VAL 56 19.130 9.824 11.844 416 HG23 VAL 56 HG23 VAL 56 17.640 9.155 11.175 417 HA PRO 57 HA PRO 57 18.765 9.704 7.516 418 HB2 PRO 57 HB2 PRO 57 18.417 8.571 5.096 419 HB3 PRO 57 HB1 PRO 57 18.824 7.630 6.535 420 HG2 PRO 57 HG2 PRO 57 16.181 8.003 5.198 421 HG3 PRO 57 HG1 PRO 57 16.881 6.539 5.910 422 HD2 PRO 57 HD2 PRO 57 15.019 8.118 7.161 423 HD3 PRO 57 HD1 PRO 57 16.185 7.091 8.017 424 H ALA 58 HN ALA 58 19.398 11.402 6.364 425 HA ALA 58 HA ALA 58 17.361 12.880 4.835 426 HB1 ALA 58 HB1 ALA 58 18.120 14.059 6.845 427 HB2 ALA 58 HB2 ALA 58 18.600 14.910 5.377 428 HB3 ALA 58 HB3 ALA 58 19.786 13.960 6.271 429 H LEU 59 HN LEU 59 17.938 13.760 2.863 430 HA LEU 59 HA LEU 59 20.477 12.794 1.726 431 HB2 LEU 59 HB2 LEU 59 18.552 11.478 0.920 432 HB3 LEU 59 HB1 LEU 59 17.786 12.951 0.361 433 HG LEU 59 HG LEU 59 19.652 13.281 -1.239 434 HD11 LEU 59 HD11 LEU 59 21.173 11.413 -1.683 435 HD12 LEU 59 HD12 LEU 59 20.517 10.552 -0.290 436 HD13 LEU 59 HD13 LEU 59 21.394 12.065 -0.060 437 HD21 LEU 59 HD21 LEU 59 18.218 10.636 -1.442 438 HD22 LEU 59 HD22 LEU 59 18.977 11.503 -2.777 439 HD23 LEU 59 HD23 LEU 59 17.588 12.203 -1.947 440 H VAL 60 HN VAL 60 21.643 14.627 1.704 441 HA VAL 60 HA VAL 60 20.440 17.142 0.904 442 HB VAL 60 HB VAL 60 23.334 16.530 1.537 443 HG11 VAL 60 HG11 VAL 60 23.104 18.541 0.207 444 HG12 VAL 60 HG12 VAL 60 23.526 18.963 1.867 445 HG13 VAL 60 HG13 VAL 60 21.866 19.155 1.302 446 HG21 VAL 60 HG21 VAL 60 21.922 16.071 3.456 447 HG22 VAL 60 HG22 VAL 60 21.154 17.650 3.295 448 HG23 VAL 60 HG23 VAL 60 22.860 17.539 3.729 449 H ILE 61 HN ILE 61 19.958 17.175 -1.199 450 HA ILE 61 HA ILE 61 21.787 16.017 -3.146 451 HB ILE 61 HB ILE 61 19.061 17.256 -3.566 452 HG12 ILE 61 HG12 ILE 61 19.897 14.347 -3.431 453 HG13 ILE 61 HG11 ILE 61 19.002 15.209 -2.184 454 HG21 ILE 61 HG21 ILE 61 20.801 15.639 -5.428 455 HG22 ILE 61 HG22 ILE 61 20.429 17.357 -5.573 456 HG23 ILE 61 HG23 ILE 61 19.148 16.160 -5.763 457 HD11 ILE 61 HD11 ILE 61 17.151 15.530 -3.738 458 HD12 ILE 61 HD12 ILE 61 17.535 13.821 -3.527 459 HD13 ILE 61 HD13 ILE 61 18.050 14.669 -4.986 460 H ASP 62 HN ASP 62 23.476 17.355 -3.332 461 HA ASP 62 HA ASP 62 24.736 19.034 -4.167 462 HB2 ASP 62 HB2 ASP 62 23.165 18.517 -6.120 463 HB3 ASP 62 HB1 ASP 62 22.301 19.982 -5.665 464 H GLY 63 HN GLY 63 22.877 19.523 -1.785 465 HA2 GLY 63 HA2 GLY 63 23.534 21.512 -0.437 466 HA3 GLY 63 HA1 GLY 63 23.095 22.470 -1.842 467 H ALA 64 HN ALA 64 20.801 20.319 -2.068 468 HA ALA 64 HA ALA 64 18.961 21.815 -0.349 469 HB1 ALA 64 HB1 ALA 64 17.182 20.825 -1.685 470 HB2 ALA 64 HB2 ALA 64 18.363 19.845 -2.553 471 HB3 ALA 64 HB3 ALA 64 18.381 21.600 -2.720 472 H ALA 65 HN ALA 65 18.114 20.955 1.463 473 HA ALA 65 HA ALA 65 19.077 18.311 2.223 474 HB1 ALA 65 HB1 ALA 65 18.454 18.937 4.490 475 HB2 ALA 65 HB2 ALA 65 17.712 20.421 3.890 476 HB3 ALA 65 HB3 ALA 65 19.454 20.186 3.748 477 H PHE 66 HN PHE 66 17.807 16.717 1.507 478 HA PHE 66 HA PHE 66 14.906 16.966 1.881 479 HB2 PHE 66 HB2 PHE 66 16.539 15.181 0.075 480 HB3 PHE 66 HB1 PHE 66 14.808 14.970 0.327 481 HD1 PHE 66 HD2 PHE 66 13.222 16.619 -0.490 482 HD2 PHE 66 HD1 PHE 66 17.393 17.003 -1.225 483 HE1 PHE 66 HE2 PHE 66 12.757 18.306 -2.215 484 HE2 PHE 66 HE1 PHE 66 16.935 18.693 -2.950 485 HZ PHE 66 HZ PHE 66 14.615 19.346 -3.446 486 H HIS 67 HN HIS 67 13.781 14.922 2.459 487 HA HIS 67 HA HIS 67 15.343 13.323 4.380 488 HB2 HIS 67 HB2 HIS 67 12.561 14.444 4.825 489 HB3 HIS 67 HB1 HIS 67 13.429 13.389 5.934 490 HD1 HIS 67 HD1 HIS 67 13.139 16.946 4.886 491 HD2 HIS 67 HD2 HIS 67 15.573 14.602 7.299 492 HE1 HIS 67 HE1 HIS 67 14.458 18.549 6.328 493 H ILE 68 HN ILE 68 14.783 11.161 4.510 494 HA ILE 68 HA ILE 68 12.579 10.249 2.783 495 HB ILE 68 HB ILE 68 15.308 8.950 2.912 496 HG12 ILE 68 HG12 ILE 68 13.981 10.418 0.619 497 HG13 ILE 68 HG11 ILE 68 15.270 11.079 1.619 498 HG21 ILE 68 HG21 ILE 68 12.861 8.268 1.287 499 HG22 ILE 68 HG22 ILE 68 13.516 7.334 2.631 500 HG23 ILE 68 HG23 ILE 68 14.438 7.493 1.136 501 HD11 ILE 68 HD11 ILE 68 16.116 10.263 -0.502 502 HD12 ILE 68 HD12 ILE 68 15.480 8.656 -0.150 503 HD13 ILE 68 HD13 ILE 68 16.773 9.330 0.843 504 H ASN 69 HN ASN 69 11.193 9.596 4.296 505 HA ASN 69 HA ASN 69 10.196 8.368 5.899 506 HB2 ASN 69 HB2 ASN 69 12.561 6.629 5.331 507 HB3 ASN 69 HB1 ASN 69 11.521 6.254 6.701 508 HD21 ASN 69 HD21 ASN 69 11.965 4.712 4.306 509 HD22 ASN 69 HD22 ASN 69 10.417 4.515 3.556 510 H PHE 70 HN PHE 70 9.894 9.028 7.878 511 HA PHE 70 HA PHE 70 11.998 10.221 9.389 512 HB2 PHE 70 HB2 PHE 70 9.662 11.046 9.471 513 HB3 PHE 70 HB1 PHE 70 9.172 9.544 10.246 514 HD1 PHE 70 HD2 PHE 70 11.275 12.558 10.668 515 HD2 PHE 70 HD1 PHE 70 9.363 9.269 12.568 516 HE1 PHE 70 HE2 PHE 70 11.769 13.546 12.866 517 HE2 PHE 70 HE1 PHE 70 9.851 10.250 14.770 518 HZ PHE 70 HZ PHE 70 11.057 12.392 14.922 519 H GLY 71 HN GLY 71 13.530 8.677 9.849 520 HA2 GLY 71 HA2 GLY 71 12.721 6.359 11.438 521 HA3 GLY 71 HA1 GLY 71 14.341 6.694 10.835 522 H ALA 72 HN ALA 72 14.913 9.118 11.695 523 HA ALA 72 HA ALA 72 14.331 9.266 14.558 524 HB1 ALA 72 HB1 ALA 72 16.690 9.606 15.102 525 HB2 ALA 72 HB2 ALA 72 17.126 9.333 13.415 526 HB3 ALA 72 HB3 ALA 72 16.434 8.022 14.370 527 H GLY 73 HN GLY 73 14.763 11.390 15.458 528 HA2 GLY 73 HA2 GLY 73 14.775 13.474 13.350 529 HA3 GLY 73 HA1 GLY 73 13.764 13.566 14.786 530 H ILE 74 HN ILE 74 15.934 15.356 13.717 531 HA ILE 74 HA ILE 74 18.244 15.076 15.315 532 HB ILE 74 HB ILE 74 18.121 16.472 13.255 533 HG12 ILE 74 HG12 ILE 74 19.051 17.983 15.706 534 HG13 ILE 74 HG11 ILE 74 19.954 16.693 14.917 535 HG21 ILE 74 HG21 ILE 74 16.643 18.403 15.036 536 HG22 ILE 74 HG22 ILE 74 15.996 17.570 13.623 537 HG23 ILE 74 HG23 ILE 74 17.271 18.773 13.429 538 HD11 ILE 74 HD11 ILE 74 20.101 18.035 12.888 539 HD12 ILE 74 HD12 ILE 74 20.788 18.879 14.276 540 HD13 ILE 74 HD13 ILE 74 19.190 19.324 13.675 541 H ASP 75 HN ASP 75 15.137 16.501 15.911 542 HA ASP 75 HA ASP 75 15.728 18.021 18.200 543 HB2 ASP 75 HB2 ASP 75 13.609 18.254 17.024 544 HB3 ASP 75 HB1 ASP 75 13.182 16.589 17.408 545 H ASP 76 HN ASP 76 15.050 14.624 17.722 546 HA ASP 76 HA ASP 76 15.007 14.046 20.555 547 HB2 ASP 76 HB2 ASP 76 13.549 12.745 19.132 548 HB3 ASP 76 HB1 ASP 76 14.898 12.270 18.107 549 H LEU 77 HN LEU 77 17.203 13.785 17.831 550 HA LEU 77 HA LEU 77 19.216 12.217 18.919 551 HB2 LEU 77 HB2 LEU 77 19.462 14.586 17.064 552 HB3 LEU 77 HB1 LEU 77 20.762 13.462 17.408 553 HG LEU 77 HG LEU 77 18.154 12.790 16.044 554 HD11 LEU 77 HD11 LEU 77 19.657 14.076 14.628 555 HD12 LEU 77 HD12 LEU 77 19.570 12.402 14.081 556 HD13 LEU 77 HD13 LEU 77 20.975 12.960 14.989 557 HD21 LEU 77 HD21 LEU 77 20.546 11.049 16.627 558 HD22 LEU 77 HD22 LEU 77 19.128 10.583 15.689 559 HD23 LEU 77 HD23 LEU 77 18.971 10.934 17.410 560 H LYS 78 HN LYS 78 18.877 15.771 19.083 561 HA LYS 78 HA LYS 78 20.995 16.022 20.986 562 HB2 LYS 78 HB2 LYS 78 18.802 17.913 20.135 563 HB3 LYS 78 HB1 LYS 78 19.980 18.327 21.374 564 HG2 LYS 78 HG2 LYS 78 21.781 17.885 19.702 565 HG3 LYS 78 HG1 LYS 78 20.521 17.700 18.482 566 HD2 LYS 78 HD2 LYS 78 19.798 19.972 18.808 567 HD3 LYS 78 HD1 LYS 78 20.906 20.173 20.167 568 HE2 LYS 78 HE2 LYS 78 22.799 19.772 18.614 569 HE3 LYS 78 HE1 LYS 78 21.650 19.714 17.280 570 HZ1 LYS 78 HZ1 LYS 78 22.052 22.050 19.075 571 HZ2 LYS 78 HZ2 LYS 78 21.037 21.989 17.714 572 HZ3 LYS 78 HZ3 LYS 78 22.717 21.892 17.525 573 H GLY 79 HN GLY 79 20.924 15.291 22.952 574 HA2 GLY 79 HA2 GLY 79 19.767 15.420 25.148 575 HA3 GLY 79 HA1 GLY 79 18.291 15.022 24.275 576 H SER 80 HN SER 80 20.518 13.319 22.708 577 HA SER 80 HA SER 80 19.989 10.895 24.240 578 HB2 SER 80 HB2 SER 80 21.321 11.158 21.534 579 HB3 SER 80 HB1 SER 80 20.655 9.694 22.257 580 HG SER 80 HG SER 80 19.238 11.992 21.375 581 H1 VAL 1 HT1 VAL 1 17.273 -6.004 -13.694 582 H2 VAL 1 HT2 VAL 1 16.037 -4.897 -14.045 583 H3 VAL 1 HT3 VAL 1 16.817 -4.847 -12.540 584 HA VAL 1 HA VAL 1 18.900 -4.252 -13.620 585 HB VAL 1 HB VAL 1 17.188 -4.120 -16.115 586 HG11 VAL 1 HG11 VAL 1 20.080 -3.354 -15.714 587 HG12 VAL 1 HG12 VAL 1 18.742 -2.240 -15.999 588 HG13 VAL 1 HG13 VAL 1 19.223 -3.380 -17.256 589 HG21 VAL 1 HG21 VAL 1 19.565 -5.846 -15.431 590 HG22 VAL 1 HG22 VAL 1 18.760 -5.788 -16.999 591 HG23 VAL 1 HG23 VAL 1 17.894 -6.386 -15.583 592 H ALA 2 HN ALA 2 15.979 -2.826 -15.086 593 HA ALA 2 HA ALA 2 16.618 -0.308 -13.713 594 HB1 ALA 2 HB1 ALA 2 14.768 -0.806 -16.050 595 HB2 ALA 2 HB2 ALA 2 16.396 -0.132 -16.143 596 HB3 ALA 2 HB3 ALA 2 15.115 0.764 -15.325 597 H SER 3 HN SER 3 15.826 -1.038 -11.709 598 HA SER 3 HA SER 3 13.401 -2.299 -11.237 599 HB2 SER 3 HB2 SER 3 14.864 -0.394 -9.397 600 HB3 SER 3 HB1 SER 3 13.683 -1.612 -8.912 601 HG SER 3 HG SER 3 15.092 -3.215 -9.526 602 H LYS 4 HN LYS 4 11.403 -1.556 -10.440 603 HA LYS 4 HA LYS 4 10.608 0.936 -11.720 604 HB2 LYS 4 HB2 LYS 4 9.355 -1.093 -12.251 605 HB3 LYS 4 HB1 LYS 4 8.972 -1.321 -10.552 606 HG2 LYS 4 HG2 LYS 4 7.613 0.666 -10.542 607 HG3 LYS 4 HG1 LYS 4 8.088 1.040 -12.200 608 HD2 LYS 4 HD2 LYS 4 7.015 -0.999 -12.983 609 HD3 LYS 4 HD1 LYS 4 6.580 -1.424 -11.327 610 HE2 LYS 4 HE2 LYS 4 5.141 0.501 -11.162 611 HE3 LYS 4 HE1 LYS 4 5.665 1.073 -12.747 612 HZ1 LYS 4 HZ1 LYS 4 4.618 -0.780 -13.787 613 HZ2 LYS 4 HZ2 LYS 4 3.480 -0.071 -12.750 614 HZ3 LYS 4 HZ3 LYS 4 4.264 -1.509 -12.299 615 H ALA 5 HN ALA 5 10.433 2.724 -10.607 616 HA ALA 5 HA ALA 5 9.711 2.573 -7.750 617 HB1 ALA 5 HB1 ALA 5 11.394 4.660 -9.142 618 HB2 ALA 5 HB2 ALA 5 11.993 3.397 -8.065 619 HB3 ALA 5 HB3 ALA 5 10.944 4.668 -7.436 620 H ILE 6 HN ILE 6 7.811 3.461 -7.255 621 HA ILE 6 HA ILE 6 6.506 5.111 -9.308 622 HB ILE 6 HB ILE 6 5.236 3.595 -7.020 623 HG12 ILE 6 HG12 ILE 6 5.311 2.986 -9.986 624 HG13 ILE 6 HG11 ILE 6 6.206 2.117 -8.744 625 HG21 ILE 6 HG21 ILE 6 4.003 5.064 -9.350 626 HG22 ILE 6 HG22 ILE 6 3.954 5.565 -7.660 627 HG23 ILE 6 HG23 ILE 6 3.122 4.095 -8.169 628 HD11 ILE 6 HD11 ILE 6 4.102 1.382 -7.747 629 HD12 ILE 6 HD12 ILE 6 4.237 0.884 -9.433 630 HD13 ILE 6 HD13 ILE 6 3.210 2.251 -8.998 631 H PHE 7 HN PHE 7 6.356 7.188 -8.959 632 HA PHE 7 HA PHE 7 6.865 8.242 -6.278 633 HB2 PHE 7 HB2 PHE 7 8.249 9.115 -8.094 634 HB3 PHE 7 HB1 PHE 7 6.811 9.599 -8.985 635 HD1 PHE 7 HD1 PHE 7 8.592 10.186 -5.774 636 HD2 PHE 7 HD2 PHE 7 5.973 11.740 -8.745 637 HE1 PHE 7 HE1 PHE 7 8.672 12.391 -4.687 638 HE2 PHE 7 HE2 PHE 7 6.047 13.947 -7.664 639 HZ PHE 7 HZ PHE 7 7.399 14.276 -5.632 640 H TYR 8 HN TYR 8 5.251 8.915 -5.055 641 HA TYR 8 HA TYR 8 2.673 9.540 -6.326 642 HB2 TYR 8 HB2 TYR 8 3.396 8.569 -3.570 643 HB3 TYR 8 HB1 TYR 8 1.838 9.320 -3.893 644 HD1 TYR 8 HD2 TYR 8 0.188 8.201 -5.299 645 HD2 TYR 8 HD1 TYR 8 3.907 6.347 -4.385 646 HE1 TYR 8 HE2 TYR 8 -0.716 6.040 -6.042 647 HE2 TYR 8 HE1 TYR 8 3.012 4.178 -5.123 648 HH TYR 8 HH TYR 8 0.055 3.891 -6.833 649 H HIS 9 HN HIS 9 2.070 11.598 -6.415 650 HA HIS 9 HA HIS 9 2.953 13.391 -4.272 651 HB2 HIS 9 HB2 HIS 9 3.544 15.157 -5.779 652 HB3 HIS 9 HB1 HIS 9 4.429 13.717 -6.264 653 HD2 HIS 9 HD2 HIS 9 3.025 12.350 -8.516 654 HE1 HIS 9 HE1 HIS 9 1.815 16.126 -9.993 655 HE2 HIS 9 HE2 HIS 9 2.329 13.722 -10.604 656 H ALA 10 HN ALA 10 1.703 15.575 -4.517 657 HA ALA 10 HA ALA 10 -1.106 14.885 -5.090 658 HB1 ALA 10 HB1 ALA 10 -1.780 16.141 -3.125 659 HB2 ALA 10 HB2 ALA 10 -0.097 16.538 -2.779 660 HB3 ALA 10 HB3 ALA 10 -0.645 14.865 -2.681 661 H GLY 11 HN GLY 11 1.360 16.789 -6.062 662 HA2 GLY 11 HA2 GLY 11 1.255 18.520 -7.623 663 HA3 GLY 11 HA1 GLY 11 -0.449 18.726 -7.246 664 H CYS 12 HN CYS 12 0.985 18.628 -4.338 665 HA CYS 12 HA CYS 12 0.730 21.448 -3.935 666 HB2 CYS 12 HB2 CYS 12 1.413 20.899 -1.601 667 HB3 CYS 12 HB1 CYS 12 0.060 19.933 -2.177 668 HG CYS 12 HG CYS 12 1.691 18.324 -0.589 669 HA PRO 13 HA PRO 13 4.766 23.142 -4.471 670 HB2 PRO 13 HB2 PRO 13 4.809 23.703 -1.537 671 HB3 PRO 13 HB1 PRO 13 5.157 24.782 -2.895 672 HG2 PRO 13 HG2 PRO 13 2.838 24.951 -1.628 673 HG3 PRO 13 HG1 PRO 13 2.907 25.092 -3.395 674 HD2 PRO 13 HD2 PRO 13 1.997 22.806 -1.708 675 HD3 PRO 13 HD1 PRO 13 1.384 23.368 -3.276 676 H VAL 14 HN VAL 14 4.393 20.992 -1.694 677 HA VAL 14 HA VAL 14 7.117 20.494 -1.206 678 HB VAL 14 HB VAL 14 4.842 18.554 -0.759 679 HG11 VAL 14 HG11 VAL 14 7.050 17.564 -0.490 680 HG12 VAL 14 HG12 VAL 14 6.244 17.716 1.071 681 HG13 VAL 14 HG13 VAL 14 7.509 18.857 0.618 682 HG21 VAL 14 HG21 VAL 14 5.832 20.776 1.027 683 HG22 VAL 14 HG22 VAL 14 4.658 19.543 1.486 684 HG23 VAL 14 HG23 VAL 14 4.267 20.704 0.217 685 H CYS 15 HN CYS 15 4.903 19.250 -3.591 686 HA CYS 15 HA CYS 15 6.354 16.905 -4.284 687 HB2 CYS 15 HB2 CYS 15 4.449 18.491 -6.018 688 HB3 CYS 15 HB1 CYS 15 4.906 16.803 -6.225 689 HG CYS 15 HG CYS 15 3.297 17.856 -3.403 690 H VAL 16 HN VAL 16 6.512 20.254 -5.247 691 HA VAL 16 HA VAL 16 7.908 20.008 -7.663 692 HB VAL 16 HB VAL 16 8.143 22.266 -5.665 693 HG11 VAL 16 HG11 VAL 16 8.559 22.208 -8.652 694 HG12 VAL 16 HG12 VAL 16 9.822 22.348 -7.428 695 HG13 VAL 16 HG13 VAL 16 8.639 23.642 -7.627 696 HG21 VAL 16 HG21 VAL 16 5.805 21.814 -6.144 697 HG22 VAL 16 HG22 VAL 16 6.134 21.857 -7.877 698 HG23 VAL 16 HG23 VAL 16 6.309 23.321 -6.909 699 H SER 17 HN SER 17 9.101 20.488 -4.354 700 HA SER 17 HA SER 17 11.828 20.582 -4.913 701 HB2 SER 17 HB2 SER 17 10.539 19.421 -2.431 702 HB3 SER 17 HB1 SER 17 12.152 20.120 -2.559 703 HG SER 17 HG SER 17 11.180 22.136 -3.014 704 H ALA 18 HN ALA 18 9.761 17.807 -4.124 705 HA ALA 18 HA ALA 18 11.840 15.888 -4.133 706 HB1 ALA 18 HB1 ALA 18 9.701 15.531 -2.995 707 HB2 ALA 18 HB2 ALA 18 10.058 14.233 -4.135 708 HB3 ALA 18 HB3 ALA 18 8.882 15.477 -4.557 709 H GLU 19 HN GLU 19 9.684 17.119 -6.615 710 HA GLU 19 HA GLU 19 10.200 15.177 -8.588 711 HB2 GLU 19 HB2 GLU 19 8.298 16.696 -8.706 712 HB3 GLU 19 HB1 GLU 19 9.379 18.074 -8.860 713 HG2 GLU 19 HG2 GLU 19 10.204 17.104 -10.994 714 HG3 GLU 19 HG1 GLU 19 8.969 15.853 -10.845 715 H GLN 20 HN GLN 20 11.539 18.449 -8.189 716 HA GLN 20 HA GLN 20 13.187 18.260 -10.479 717 HB2 GLN 20 HB2 GLN 20 13.448 20.158 -8.147 718 HB3 GLN 20 HB1 GLN 20 14.125 20.376 -9.757 719 HG2 GLN 20 HG2 GLN 20 11.882 20.472 -10.698 720 HG3 GLN 20 HG1 GLN 20 11.196 20.240 -9.091 721 HE21 GLN 20 HE21 GLN 20 10.822 22.425 -10.940 722 HE22 GLN 20 HE22 GLN 20 11.323 23.858 -10.095 723 H ALA 21 HN ALA 21 13.731 17.478 -7.114 724 HA ALA 21 HA ALA 21 16.587 17.137 -7.675 725 HB1 ALA 21 HB1 ALA 21 15.167 17.135 -5.022 726 HB2 ALA 21 HB2 ALA 21 16.006 18.509 -5.742 727 HB3 ALA 21 HB3 ALA 21 16.911 17.069 -5.276 728 H VAL 22 HN VAL 22 14.100 15.365 -5.801 729 HA VAL 22 HA VAL 22 15.701 13.050 -5.587 730 HB VAL 22 HB VAL 22 12.704 13.224 -5.253 731 HG11 VAL 22 HG11 VAL 22 12.994 11.296 -3.772 732 HG12 VAL 22 HG12 VAL 22 14.718 11.268 -4.146 733 HG13 VAL 22 HG13 VAL 22 13.535 10.936 -5.412 734 HG21 VAL 22 HG21 VAL 22 13.821 14.890 -3.873 735 HG22 VAL 22 HG22 VAL 22 14.900 13.652 -3.228 736 HG23 VAL 22 HG23 VAL 22 13.174 13.589 -2.874 737 H ALA 23 HN ALA 23 12.949 13.813 -7.720 738 HA ALA 23 HA ALA 23 12.973 11.242 -8.973 739 HB1 ALA 23 HB1 ALA 23 11.349 12.194 -10.525 740 HB2 ALA 23 HB2 ALA 23 11.674 13.806 -9.885 741 HB3 ALA 23 HB3 ALA 23 10.937 12.580 -8.854 742 H ASN 24 HN ASN 24 15.081 13.797 -9.220 743 HA ASN 24 HA ASN 24 15.861 12.995 -11.939 744 HB2 ASN 24 HB2 ASN 24 16.219 15.564 -10.435 745 HB3 ASN 24 HB1 ASN 24 17.320 15.146 -11.745 746 HD21 ASN 24 HD21 ASN 24 14.033 15.961 -10.911 747 HD22 ASN 24 HD22 ASN 24 13.504 16.300 -12.527 748 H ALA 25 HN ALA 25 16.723 12.878 -8.648 749 HA ALA 25 HA ALA 25 19.522 12.495 -8.918 750 HB1 ALA 25 HB1 ALA 25 18.500 13.069 -6.774 751 HB2 ALA 25 HB2 ALA 25 19.407 11.561 -6.655 752 HB3 ALA 25 HB3 ALA 25 17.647 11.525 -6.758 753 H ILE 26 HN ILE 26 16.778 10.267 -8.657 754 HA ILE 26 HA ILE 26 18.407 7.990 -9.369 755 HB ILE 26 HB ILE 26 15.395 8.245 -9.196 756 HG12 ILE 26 HG12 ILE 26 17.403 7.105 -7.235 757 HG13 ILE 26 HG11 ILE 26 16.533 8.623 -7.044 758 HG21 ILE 26 HG21 ILE 26 15.396 5.791 -9.152 759 HG22 ILE 26 HG22 ILE 26 17.141 5.793 -9.411 760 HG23 ILE 26 HG23 ILE 26 16.063 6.420 -10.659 761 HD11 ILE 26 HD11 ILE 26 15.311 5.877 -7.127 762 HD12 ILE 26 HD12 ILE 26 14.424 7.392 -6.961 763 HD13 ILE 26 HD13 ILE 26 15.540 6.881 -5.695 764 H ASP 27 HN ASP 27 19.078 7.715 -11.380 765 HA ASP 27 HA ASP 27 18.173 9.402 -13.471 766 HB2 ASP 27 HB2 ASP 27 20.517 8.468 -13.151 767 HB3 ASP 27 HB1 ASP 27 19.901 6.957 -13.815 768 HA PRO 28 HA PRO 28 14.727 6.957 -14.838 769 HB2 PRO 28 HB2 PRO 28 14.936 8.556 -17.306 770 HB3 PRO 28 HB1 PRO 28 13.599 8.425 -16.160 771 HG2 PRO 28 HG2 PRO 28 15.096 10.639 -16.307 772 HG3 PRO 28 HG1 PRO 28 14.467 10.045 -14.758 773 HD2 PRO 28 HD2 PRO 28 17.219 9.783 -15.914 774 HD3 PRO 28 HD1 PRO 28 16.726 10.152 -14.248 775 H SER 29 HN SER 29 17.751 7.189 -16.504 776 HA SER 29 HA SER 29 17.006 5.172 -18.471 777 HB2 SER 29 HB2 SER 29 19.852 5.958 -18.069 778 HB3 SER 29 HB1 SER 29 18.959 5.701 -19.567 779 HG SER 29 HG SER 29 19.062 7.974 -17.906 780 H LYS 30 HN LYS 30 18.131 5.357 -15.312 781 HA LYS 30 HA LYS 30 19.516 2.777 -15.416 782 HB2 LYS 30 HB2 LYS 30 20.537 4.819 -14.293 783 HB3 LYS 30 HB1 LYS 30 19.289 4.662 -13.066 784 HG2 LYS 30 HG2 LYS 30 20.124 2.388 -12.569 785 HG3 LYS 30 HG1 LYS 30 21.429 2.652 -13.727 786 HD2 LYS 30 HD2 LYS 30 22.167 4.605 -12.408 787 HD3 LYS 30 HD1 LYS 30 20.902 4.261 -11.227 788 HE2 LYS 30 HE2 LYS 30 22.923 3.344 -10.377 789 HE3 LYS 30 HE1 LYS 30 21.933 1.993 -10.929 790 HZ1 LYS 30 HZ1 LYS 30 24.067 1.556 -11.727 791 HZ2 LYS 30 HZ2 LYS 30 24.328 3.161 -12.215 792 HZ3 LYS 30 HZ3 LYS 30 23.248 2.177 -13.075 793 H TYR 31 HN TYR 31 16.770 4.435 -13.973 794 HA TYR 31 HA TYR 31 15.618 1.824 -13.295 795 HB2 TYR 31 HB2 TYR 31 15.677 4.241 -11.475 796 HB3 TYR 31 HB1 TYR 31 14.667 2.827 -11.204 797 HD1 TYR 31 HD1 TYR 31 15.679 0.686 -10.559 798 HD2 TYR 31 HD2 TYR 31 18.044 4.186 -11.032 799 HE1 TYR 31 HE1 TYR 31 17.517 -0.397 -9.337 800 HE2 TYR 31 HE2 TYR 31 19.886 3.111 -9.816 801 HH TYR 31 HH TYR 31 20.195 1.305 -8.157 802 H THR 32 HN THR 32 13.247 1.934 -13.021 803 HA THR 32 HA THR 32 12.157 3.771 -15.023 804 HB THR 32 HB THR 32 10.867 1.332 -13.779 805 HG1 THR 32 HG1 THR 32 12.677 0.749 -15.037 806 HG21 THR 32 HG21 THR 32 9.249 2.930 -14.682 807 HG22 THR 32 HG22 THR 32 9.319 1.478 -15.680 808 HG23 THR 32 HG23 THR 32 10.118 2.955 -16.216 809 H VAL 33 HN VAL 33 11.516 5.642 -14.119 810 HA VAL 33 HA VAL 33 10.202 5.601 -11.506 811 HB VAL 33 HB VAL 33 11.083 7.980 -13.155 812 HG11 VAL 33 HG11 VAL 33 9.275 8.516 -11.613 813 HG12 VAL 33 HG12 VAL 33 10.788 9.249 -11.079 814 HG13 VAL 33 HG13 VAL 33 10.182 7.798 -10.281 815 HG21 VAL 33 HG21 VAL 33 12.992 6.628 -12.460 816 HG22 VAL 33 HG22 VAL 33 12.425 6.668 -10.791 817 HG23 VAL 33 HG23 VAL 33 12.949 8.155 -11.579 818 H GLU 34 HN GLU 34 8.080 5.317 -11.547 819 HA GLU 34 HA GLU 34 6.515 6.523 -13.734 820 HB2 GLU 34 HB2 GLU 34 6.348 4.045 -13.451 821 HB3 GLU 34 HB1 GLU 34 5.707 4.305 -11.836 822 HG2 GLU 34 HG2 GLU 34 3.757 5.388 -12.728 823 HG3 GLU 34 HG1 GLU 34 4.422 5.321 -14.359 824 H ILE 35 HN ILE 35 5.267 8.236 -13.239 825 HA ILE 35 HA ILE 35 5.069 8.940 -10.393 826 HB ILE 35 HB ILE 35 4.816 10.692 -12.842 827 HG12 ILE 35 HG12 ILE 35 6.994 10.478 -10.749 828 HG13 ILE 35 HG11 ILE 35 7.108 9.913 -12.411 829 HG21 ILE 35 HG21 ILE 35 3.407 11.510 -11.035 830 HG22 ILE 35 HG22 ILE 35 4.797 12.570 -11.267 831 HG23 ILE 35 HG23 ILE 35 4.770 11.433 -9.919 832 HD11 ILE 35 HD11 ILE 35 6.774 12.777 -11.547 833 HD12 ILE 35 HD12 ILE 35 6.913 12.205 -13.210 834 HD13 ILE 35 HD13 ILE 35 8.271 12.025 -12.097 835 H VAL 36 HN VAL 36 3.177 8.962 -9.387 836 HA VAL 36 HA VAL 36 0.714 8.915 -11.009 837 HB VAL 36 HB VAL 36 1.204 7.417 -8.424 838 HG11 VAL 36 HG11 VAL 36 -1.006 6.432 -8.806 839 HG12 VAL 36 HG12 VAL 36 -1.222 7.468 -10.217 840 HG13 VAL 36 HG13 VAL 36 -1.102 8.182 -8.609 841 HG21 VAL 36 HG21 VAL 36 2.355 6.376 -10.298 842 HG22 VAL 36 HG22 VAL 36 0.865 6.391 -11.241 843 HG23 VAL 36 HG23 VAL 36 0.982 5.393 -9.792 844 H HIS 37 HN HIS 37 -0.813 10.357 -10.470 845 HA HIS 37 HA HIS 37 -0.219 12.248 -8.342 846 HB2 HIS 37 HB2 HIS 37 -1.066 12.811 -10.724 847 HB3 HIS 37 HB1 HIS 37 -2.645 12.320 -10.122 848 HD2 HIS 37 HD2 HIS 37 -0.292 15.310 -10.106 849 HE1 HIS 37 HE1 HIS 37 -3.479 16.190 -7.474 850 HE2 HIS 37 HE2 HIS 37 -1.615 17.173 -8.888 851 H LEU 38 HN LEU 38 -0.914 11.870 -6.350 852 HA LEU 38 HA LEU 38 -3.360 10.268 -5.989 853 HB2 LEU 38 HB2 LEU 38 -1.238 9.308 -5.107 854 HB3 LEU 38 HB1 LEU 38 -1.081 10.698 -4.052 855 HG LEU 38 HG LEU 38 -3.082 10.053 -2.833 856 HD11 LEU 38 HD11 LEU 38 -4.235 7.956 -3.325 857 HD12 LEU 38 HD12 LEU 38 -3.219 7.732 -4.749 858 HD13 LEU 38 HD13 LEU 38 -4.345 9.087 -4.674 859 HD21 LEU 38 HD21 LEU 38 -0.959 9.103 -2.111 860 HD22 LEU 38 HD22 LEU 38 -1.182 7.741 -3.210 861 HD23 LEU 38 HD23 LEU 38 -2.278 7.963 -1.846 862 H GLY 39 HN GLY 39 -2.768 13.292 -6.308 863 HA2 GLY 39 HA2 GLY 39 -4.081 14.195 -3.827 864 HA3 GLY 39 HA1 GLY 39 -3.120 15.218 -4.885 865 H THR 40 HN THR 40 -5.475 12.939 -6.089 866 HA THR 40 HA THR 40 -7.527 14.955 -6.357 867 HB THR 40 HB THR 40 -6.177 13.809 -8.809 868 HG1 THR 40 HG1 THR 40 -5.801 16.053 -7.433 869 HG21 THR 40 HG21 THR 40 -8.665 15.514 -8.617 870 HG22 THR 40 HG22 THR 40 -8.610 13.818 -9.095 871 HG23 THR 40 HG23 THR 40 -7.847 15.044 -10.108 872 H ASP 41 HN ASP 41 -6.499 11.749 -7.570 873 HA ASP 41 HA ASP 41 -9.272 10.889 -7.591 874 HB2 ASP 41 HB2 ASP 41 -6.763 9.370 -8.332 875 HB3 ASP 41 HB1 ASP 41 -8.410 8.797 -8.564 876 H LYS 42 HN LYS 42 -10.145 10.301 -5.750 877 HA LYS 42 HA LYS 42 -8.683 9.370 -3.493 878 HB2 LYS 42 HB2 LYS 42 -11.631 9.325 -4.154 879 HB3 LYS 42 HB1 LYS 42 -10.975 8.820 -2.602 880 HG2 LYS 42 HG2 LYS 42 -10.218 11.015 -2.111 881 HG3 LYS 42 HG1 LYS 42 -10.532 11.559 -3.761 882 HD2 LYS 42 HD2 LYS 42 -12.903 11.318 -3.447 883 HD3 LYS 42 HD1 LYS 42 -12.662 10.585 -1.862 884 HE2 LYS 42 HE2 LYS 42 -13.354 12.989 -1.817 885 HE3 LYS 42 HE1 LYS 42 -11.862 12.634 -0.949 886 HZ1 LYS 42 HZ1 LYS 42 -11.885 14.672 -2.433 887 HZ2 LYS 42 HZ2 LYS 42 -11.843 13.604 -3.748 888 HZ3 LYS 42 HZ3 LYS 42 -10.578 13.609 -2.617 889 H ALA 43 HN ALA 43 -10.021 7.862 -6.264 890 HA ALA 43 HA ALA 43 -10.333 5.235 -5.307 891 HB1 ALA 43 HB1 ALA 43 -11.303 6.013 -7.411 892 HB2 ALA 43 HB2 ALA 43 -10.311 4.575 -7.654 893 HB3 ALA 43 HB3 ALA 43 -9.688 6.164 -8.102 894 H ARG 44 HN ARG 44 -7.526 7.065 -6.229 895 HA ARG 44 HA ARG 44 -5.861 4.733 -6.573 896 HB2 ARG 44 HB2 ARG 44 -4.985 7.607 -6.262 897 HB3 ARG 44 HB1 ARG 44 -4.026 6.273 -6.886 898 HG2 ARG 44 HG2 ARG 44 -5.680 6.077 -8.754 899 HG3 ARG 44 HG1 ARG 44 -6.406 7.578 -8.172 900 HD2 ARG 44 HD2 ARG 44 -4.030 8.545 -8.337 901 HD3 ARG 44 HD1 ARG 44 -3.675 7.129 -9.326 902 HE ARG 44 HE ARG 44 -5.443 9.355 -10.012 903 HH11 ARG 44 HH11 ARG 44 -4.120 6.226 -10.900 904 HH12 ARG 44 HH12 ARG 44 -4.511 6.421 -12.586 905 HH21 ARG 44 HH21 ARG 44 -5.969 9.574 -12.200 906 HH22 ARG 44 HH22 ARG 44 -5.559 8.305 -13.314 907 H ILE 45 HN ILE 45 -7.010 6.573 -3.974 908 HA ILE 45 HA ILE 45 -4.870 6.284 -2.148 909 HB ILE 45 HB ILE 45 -7.838 6.526 -1.615 910 HG12 ILE 45 HG12 ILE 45 -5.627 8.594 -1.562 911 HG13 ILE 45 HG11 ILE 45 -6.854 8.441 -2.815 912 HG21 ILE 45 HG21 ILE 45 -5.515 6.833 0.281 913 HG22 ILE 45 HG22 ILE 45 -6.721 5.546 0.302 914 HG23 ILE 45 HG23 ILE 45 -7.198 7.208 0.654 915 HD11 ILE 45 HD11 ILE 45 -8.587 8.972 -1.187 916 HD12 ILE 45 HD12 ILE 45 -7.370 10.246 -1.275 917 HD13 ILE 45 HD13 ILE 45 -7.362 9.110 0.075 918 H ALA 46 HN ALA 46 -7.620 4.254 -3.002 919 HA ALA 46 HA ALA 46 -7.232 2.225 -1.100 920 HB1 ALA 46 HB1 ALA 46 -8.550 0.812 -2.594 921 HB2 ALA 46 HB2 ALA 46 -8.357 1.993 -3.890 922 HB3 ALA 46 HB3 ALA 46 -9.268 2.416 -2.440 923 H GLU 47 HN GLU 47 -5.815 2.795 -4.271 924 HA GLU 47 HA GLU 47 -4.338 0.371 -4.415 925 HB2 GLU 47 HB2 GLU 47 -3.841 3.037 -5.752 926 HB3 GLU 47 HB1 GLU 47 -3.055 1.525 -6.184 927 HG2 GLU 47 HG2 GLU 47 -5.127 0.584 -6.914 928 HG3 GLU 47 HG1 GLU 47 -6.025 1.979 -6.311 929 H ALA 48 HN ALA 48 -3.644 3.613 -3.225 930 HA ALA 48 HA ALA 48 -0.928 3.269 -2.631 931 HB1 ALA 48 HB1 ALA 48 -1.188 5.175 -1.136 932 HB2 ALA 48 HB2 ALA 48 -2.941 5.005 -1.205 933 HB3 ALA 48 HB3 ALA 48 -2.041 5.450 -2.654 934 H GLU 49 HN GLU 49 -3.837 2.499 -0.795 935 HA GLU 49 HA GLU 49 -2.435 1.729 1.571 936 HB2 GLU 49 HB2 GLU 49 -5.246 1.043 0.700 937 HB3 GLU 49 HB1 GLU 49 -4.594 0.847 2.322 938 HG2 GLU 49 HG2 GLU 49 -4.145 3.340 2.283 939 HG3 GLU 49 HG1 GLU 49 -5.157 3.392 0.842 940 H LYS 50 HN LYS 50 -2.938 0.229 -1.432 941 HA LYS 50 HA LYS 50 -2.700 -2.488 -0.510 942 HB2 LYS 50 HB2 LYS 50 -2.314 -1.272 -3.255 943 HB3 LYS 50 HB1 LYS 50 -2.288 -2.997 -2.918 944 HG2 LYS 50 HG2 LYS 50 -4.592 -2.973 -2.281 945 HG3 LYS 50 HG1 LYS 50 -4.646 -1.211 -2.375 946 HD2 LYS 50 HD2 LYS 50 -4.233 -1.308 -4.771 947 HD3 LYS 50 HD1 LYS 50 -4.105 -3.066 -4.694 948 HE2 LYS 50 HE2 LYS 50 -6.566 -1.494 -3.938 949 HE3 LYS 50 HE1 LYS 50 -6.307 -2.246 -5.512 950 HZ1 LYS 50 HZ1 LYS 50 -6.409 -3.681 -2.911 951 HZ2 LYS 50 HZ2 LYS 50 -6.173 -4.398 -4.429 952 HZ3 LYS 50 HZ3 LYS 50 -7.649 -3.643 -4.066 953 H ALA 51 HN ALA 51 -0.559 -0.037 -1.877 954 HA ALA 51 HA ALA 51 1.769 -1.716 -1.758 955 HB1 ALA 51 HB1 ALA 51 1.561 0.042 -3.443 956 HB2 ALA 51 HB2 ALA 51 2.990 0.284 -2.439 957 HB3 ALA 51 HB3 ALA 51 1.549 1.265 -2.172 958 H GLY 52 HN GLY 52 0.209 0.593 0.330 959 HA2 GLY 52 HA2 GLY 52 0.567 0.463 2.704 960 HA3 GLY 52 HA1 GLY 52 2.228 -0.015 2.386 961 H VAL 53 HN VAL 53 0.740 2.587 0.630 962 HA VAL 53 HA VAL 53 2.793 4.409 1.471 963 HB VAL 53 HB VAL 53 0.324 4.976 -0.178 964 HG11 VAL 53 HG11 VAL 53 1.356 6.993 0.697 965 HG12 VAL 53 HG12 VAL 53 1.622 6.873 -1.042 966 HG13 VAL 53 HG13 VAL 53 2.926 6.480 0.080 967 HG21 VAL 53 HG21 VAL 53 1.627 3.198 -1.193 968 HG22 VAL 53 HG22 VAL 53 3.091 4.172 -1.066 969 HG23 VAL 53 HG23 VAL 53 1.781 4.682 -2.133 970 H LYS 54 HN LYS 54 2.704 5.827 3.108 971 HA LYS 54 HA LYS 54 0.127 6.145 4.484 972 HB2 LYS 54 HB2 LYS 54 2.958 6.402 5.488 973 HB3 LYS 54 HB1 LYS 54 1.556 6.899 6.426 974 HG2 LYS 54 HG2 LYS 54 0.693 4.580 6.262 975 HG3 LYS 54 HG1 LYS 54 2.197 4.124 5.459 976 HD2 LYS 54 HD2 LYS 54 3.479 4.646 7.394 977 HD3 LYS 54 HD1 LYS 54 2.094 5.410 8.180 978 HE2 LYS 54 HE2 LYS 54 2.272 2.493 7.441 979 HE3 LYS 54 HE1 LYS 54 2.583 3.146 9.049 980 HZ1 LYS 54 HZ1 LYS 54 0.357 3.748 9.313 981 HZ2 LYS 54 HZ2 LYS 54 0.277 2.219 8.588 982 HZ3 LYS 54 HZ3 LYS 54 0.011 3.611 7.659 983 H SER 55 HN SER 55 2.456 7.856 2.647 984 HA SER 55 HA SER 55 0.885 10.276 2.996 985 HB2 SER 55 HB2 SER 55 3.867 10.261 3.532 986 HB3 SER 55 HB1 SER 55 2.829 11.686 3.507 987 HG SER 55 HG SER 55 1.789 9.852 5.162 988 H VAL 56 HN VAL 56 0.964 11.669 1.251 989 HA VAL 56 HA VAL 56 2.346 10.785 -1.126 990 HB VAL 56 HB VAL 56 1.421 12.926 -2.130 991 HG11 VAL 56 HG11 VAL 56 -0.853 12.030 -2.289 992 HG12 VAL 56 HG12 VAL 56 -0.512 10.947 -0.939 993 HG13 VAL 56 HG13 VAL 56 0.368 10.767 -2.457 994 HG21 VAL 56 HG21 VAL 56 -0.074 13.013 0.484 995 HG22 VAL 56 HG22 VAL 56 -0.411 14.011 -0.931 996 HG23 VAL 56 HG23 VAL 56 1.119 14.186 -0.071 997 HA PRO 57 HA PRO 57 5.326 13.182 -2.858 998 HB2 PRO 57 HB2 PRO 57 5.703 14.763 -0.325 999 HB3 PRO 57 HB1 PRO 57 6.384 15.067 -1.935 1000 HG2 PRO 57 HG2 PRO 57 3.929 16.077 -1.008 1001 HG3 PRO 57 HG1 PRO 57 4.432 15.992 -2.706 1002 HD2 PRO 57 HD2 PRO 57 2.262 14.594 -1.591 1003 HD3 PRO 57 HD1 PRO 57 3.073 14.165 -3.118 1004 H ALA 58 HN ALA 58 5.532 10.972 -2.621 1005 HA ALA 58 HA ALA 58 7.723 10.185 -0.882 1006 HB1 ALA 58 HB1 ALA 58 5.761 9.590 0.434 1007 HB2 ALA 58 HB2 ALA 58 6.563 8.135 -0.161 1008 HB3 ALA 58 HB3 ALA 58 5.088 8.711 -0.937 1009 H LEU 59 HN LEU 59 8.635 8.075 -1.594 1010 HA LEU 59 HA LEU 59 8.036 7.528 -4.428 1011 HB2 LEU 59 HB2 LEU 59 10.095 8.840 -4.211 1012 HB3 LEU 59 HB1 LEU 59 10.747 7.650 -3.104 1013 HG LEU 59 HG LEU 59 10.715 5.972 -4.932 1014 HD11 LEU 59 HD11 LEU 59 8.939 6.913 -6.295 1015 HD12 LEU 59 HD12 LEU 59 10.421 6.750 -7.237 1016 HD13 LEU 59 HD13 LEU 59 9.928 8.333 -6.635 1017 HD21 LEU 59 HD21 LEU 59 12.237 8.511 -5.510 1018 HD22 LEU 59 HD22 LEU 59 12.611 6.915 -6.161 1019 HD23 LEU 59 HD23 LEU 59 12.743 7.212 -4.427 1020 H VAL 60 HN VAL 60 7.287 5.525 -4.627 1021 HA VAL 60 HA VAL 60 8.010 3.513 -2.627 1022 HB VAL 60 HB VAL 60 5.946 3.349 -4.832 1023 HG11 VAL 60 HG11 VAL 60 6.403 1.580 -2.430 1024 HG12 VAL 60 HG12 VAL 60 6.740 1.160 -4.109 1025 HG13 VAL 60 HG13 VAL 60 5.078 1.430 -3.585 1026 HG21 VAL 60 HG21 VAL 60 5.591 3.955 -1.900 1027 HG22 VAL 60 HG22 VAL 60 4.291 3.722 -3.069 1028 HG23 VAL 60 HG23 VAL 60 5.386 5.095 -3.229 1029 H ILE 61 HN ILE 61 9.911 2.586 -3.124 1030 HA ILE 61 HA ILE 61 10.517 1.933 -5.906 1031 HB ILE 61 HB ILE 61 12.264 1.614 -3.458 1032 HG12 ILE 61 HG12 ILE 61 12.276 3.762 -5.595 1033 HG13 ILE 61 HG11 ILE 61 11.706 3.974 -3.943 1034 HG21 ILE 61 HG21 ILE 61 12.874 0.098 -5.267 1035 HG22 ILE 61 HG22 ILE 61 14.091 1.361 -5.077 1036 HG23 ILE 61 HG23 ILE 61 12.927 1.450 -6.399 1037 HD11 ILE 61 HD11 ILE 61 14.525 3.314 -4.762 1038 HD12 ILE 61 HD12 ILE 61 13.955 3.544 -3.109 1039 HD13 ILE 61 HD13 ILE 61 13.933 4.893 -4.246 1040 H ASP 62 HN ASP 62 9.347 0.190 -6.439 1041 HA ASP 62 HA ASP 62 8.551 -1.939 -6.493 1042 HB2 ASP 62 HB2 ASP 62 10.892 -2.257 -7.162 1043 HB3 ASP 62 HB1 ASP 62 11.344 -2.502 -5.479 1044 H GLY 63 HN GLY 63 7.059 -1.415 -4.723 1045 HA2 GLY 63 HA2 GLY 63 5.886 -2.459 -3.010 1046 HA3 GLY 63 HA1 GLY 63 7.299 -3.446 -2.675 1047 H ALA 64 HN ALA 64 9.173 -1.331 -2.283 1048 HA ALA 64 HA ALA 64 8.439 -0.757 0.462 1049 HB1 ALA 64 HB1 ALA 64 10.658 -1.644 -0.039 1050 HB2 ALA 64 HB2 ALA 64 10.760 -0.057 0.724 1051 HB3 ALA 64 HB3 ALA 64 11.011 -0.219 -1.014 1052 H ALA 65 HN ALA 65 7.381 1.026 0.971 1053 HA ALA 65 HA ALA 65 7.379 3.310 -0.809 1054 HB1 ALA 65 HB1 ALA 65 5.281 2.537 0.195 1055 HB2 ALA 65 HB2 ALA 65 5.646 4.202 0.647 1056 HB3 ALA 65 HB3 ALA 65 5.921 2.896 1.799 1057 H PHE 66 HN PHE 66 9.106 4.600 -0.693 1058 HA PHE 66 HA PHE 66 10.165 5.297 1.951 1059 HB2 PHE 66 HB2 PHE 66 11.332 5.723 -0.808 1060 HB3 PHE 66 HB1 PHE 66 12.086 6.255 0.692 1061 HD1 PHE 66 HD2 PHE 66 12.733 4.519 2.395 1062 HD2 PHE 66 HD1 PHE 66 11.607 3.536 -1.588 1063 HE1 PHE 66 HE2 PHE 66 13.805 2.320 2.640 1064 HE2 PHE 66 HE1 PHE 66 12.673 1.333 -1.349 1065 HZ PHE 66 HZ PHE 66 13.776 0.723 0.768 1066 H HIS 67 HN HIS 67 8.947 6.875 2.753 1067 HA HIS 67 HA HIS 67 7.712 8.884 1.157 1068 HB2 HIS 67 HB2 HIS 67 8.143 8.771 4.152 1069 HB3 HIS 67 HB1 HIS 67 7.074 9.894 3.317 1070 HD1 HIS 67 HD1 HIS 67 7.290 6.356 4.497 1071 HD2 HIS 67 HD2 HIS 67 4.701 8.774 2.323 1072 HE1 HIS 67 HE1 HIS 67 5.107 5.090 4.330 1073 H ILE 68 HN ILE 68 8.342 10.953 0.751 1074 HA ILE 68 HA ILE 68 11.122 11.595 1.413 1075 HB ILE 68 HB ILE 68 9.325 13.144 -0.464 1076 HG12 ILE 68 HG12 ILE 68 11.047 10.749 -1.146 1077 HG13 ILE 68 HG11 ILE 68 9.287 10.769 -1.131 1078 HG21 ILE 68 HG21 ILE 68 12.300 12.886 -0.107 1079 HG22 ILE 68 HG22 ILE 68 11.308 14.348 -0.087 1080 HG23 ILE 68 HG23 ILE 68 11.594 13.497 -1.602 1081 HD11 ILE 68 HD11 ILE 68 10.136 10.924 -3.386 1082 HD12 ILE 68 HD12 ILE 68 11.067 12.360 -2.959 1083 HD13 ILE 68 HD13 ILE 68 9.304 12.414 -2.941 1084 H ASN 69 HN ASN 69 11.300 14.205 1.702 1085 HA ASN 69 HA ASN 69 10.398 15.382 3.857 1086 HB2 ASN 69 HB2 ASN 69 10.190 16.584 1.089 1087 HB3 ASN 69 HB1 ASN 69 9.983 17.522 2.565 1088 HD21 ASN 69 HD21 ASN 69 11.726 18.353 3.496 1089 HD22 ASN 69 HD22 ASN 69 13.363 17.966 3.064 1090 H PHE 70 HN PHE 70 8.576 15.518 4.950 1091 HA PHE 70 HA PHE 70 6.338 14.141 4.300 1092 HB2 PHE 70 HB2 PHE 70 6.852 14.862 6.575 1093 HB3 PHE 70 HB1 PHE 70 6.489 16.530 6.146 1094 HD1 PHE 70 HD2 PHE 70 4.938 13.149 6.252 1095 HD2 PHE 70 HD1 PHE 70 4.354 17.360 6.478 1096 HE1 PHE 70 HE2 PHE 70 2.580 12.786 6.856 1097 HE2 PHE 70 HE1 PHE 70 1.995 17.005 7.082 1098 HZ PHE 70 HZ PHE 70 1.105 14.715 7.272 1099 H GLY 71 HN GLY 71 5.251 14.391 2.479 1100 HA2 GLY 71 HA2 GLY 71 4.401 16.977 1.539 1101 HA3 GLY 71 HA1 GLY 71 3.968 15.415 0.850 1102 H ALA 72 HN ALA 72 2.196 14.257 1.695 1103 HA ALA 72 HA ALA 72 0.684 15.629 3.810 1104 HB1 ALA 72 HB1 ALA 72 -1.426 15.530 2.626 1105 HB2 ALA 72 HB2 ALA 72 -0.627 14.838 1.215 1106 HB3 ALA 72 HB3 ALA 72 -0.258 16.488 1.714 1107 H GLY 73 HN GLY 73 -0.429 14.262 5.173 1108 HA2 GLY 73 HA2 GLY 73 0.207 11.488 5.067 1109 HA3 GLY 73 HA1 GLY 73 -0.931 12.247 6.174 1110 H ILE 74 HN ILE 74 -1.046 9.722 4.497 1111 HA ILE 74 HA ILE 74 -2.960 10.119 2.448 1112 HB ILE 74 HB ILE 74 -1.554 8.075 2.651 1113 HG12 ILE 74 HG12 ILE 74 -4.531 7.527 2.622 1114 HG13 ILE 74 HG11 ILE 74 -3.598 8.120 1.252 1115 HG21 ILE 74 HG21 ILE 74 -1.695 7.711 5.040 1116 HG22 ILE 74 HG22 ILE 74 -2.268 6.282 4.179 1117 HG23 ILE 74 HG23 ILE 74 -3.425 7.392 4.914 1118 HD11 ILE 74 HD11 ILE 74 -4.020 5.744 1.060 1119 HD12 ILE 74 HD12 ILE 74 -3.244 5.463 2.618 1120 HD13 ILE 74 HD13 ILE 74 -2.295 6.055 1.255 1121 H ASP 75 HN ASP 75 -3.181 9.831 5.880 1122 HA ASP 75 HA ASP 75 -5.972 9.328 6.060 1123 HB2 ASP 75 HB2 ASP 75 -4.001 10.522 8.019 1124 HB3 ASP 75 HB1 ASP 75 -5.681 10.178 8.416 1125 H ASP 76 HN ASP 76 -3.999 12.183 5.700 1126 HA ASP 76 HA ASP 76 -6.058 14.071 6.315 1127 HB2 ASP 76 HB2 ASP 76 -3.452 14.420 4.809 1128 HB3 ASP 76 HB1 ASP 76 -4.509 15.737 5.298 1129 H LEU 77 HN LEU 77 -5.044 12.325 3.503 1130 HA LEU 77 HA LEU 77 -6.311 14.016 1.576 1131 HB2 LEU 77 HB2 LEU 77 -5.401 11.146 1.370 1132 HB3 LEU 77 HB1 LEU 77 -5.915 12.137 0.019 1133 HG LEU 77 HG LEU 77 -3.507 12.676 1.759 1134 HD11 LEU 77 HD11 LEU 77 -3.215 10.714 0.350 1135 HD12 LEU 77 HD12 LEU 77 -2.219 12.054 -0.217 1136 HD13 LEU 77 HD13 LEU 77 -3.711 11.643 -1.064 1137 HD21 LEU 77 HD21 LEU 77 -4.518 14.723 0.882 1138 HD22 LEU 77 HD22 LEU 77 -4.473 14.050 -0.748 1139 HD23 LEU 77 HD23 LEU 77 -2.969 14.390 0.108 1140 H LYS 78 HN LYS 78 -7.446 11.709 3.775 1141 HA LYS 78 HA LYS 78 -9.805 11.044 2.195 1142 HB2 LYS 78 HB2 LYS 78 -8.990 10.132 4.963 1143 HB3 LYS 78 HB1 LYS 78 -10.371 9.534 4.056 1144 HG2 LYS 78 HG2 LYS 78 -8.890 8.602 2.371 1145 HG3 LYS 78 HG1 LYS 78 -7.488 9.251 3.227 1146 HD2 LYS 78 HD2 LYS 78 -8.084 7.875 5.186 1147 HD3 LYS 78 HD1 LYS 78 -9.432 7.192 4.275 1148 HE2 LYS 78 HE2 LYS 78 -7.874 6.274 2.638 1149 HE3 LYS 78 HE1 LYS 78 -6.519 6.986 3.514 1150 HZ1 LYS 78 HZ1 LYS 78 -6.756 4.657 4.066 1151 HZ2 LYS 78 HZ2 LYS 78 -8.361 4.893 4.545 1152 HZ3 LYS 78 HZ3 LYS 78 -7.100 5.606 5.430 1153 H GLY 79 HN GLY 79 -11.012 12.912 2.124 1154 HA2 GLY 79 HA2 GLY 79 -13.034 13.718 3.213 1155 HA3 GLY 79 HA1 GLY 79 -12.149 13.710 4.730 1156 H SER 80 HN SER 80 -9.755 14.885 3.409 1157 HA SER 80 HA SER 80 -10.773 17.638 3.286 1158 HB2 SER 80 HB2 SER 80 -7.991 16.703 4.033 1159 HB3 SER 80 HB1 SER 80 -8.610 18.352 4.138 1160 HG SER 80 HG SER 80 -8.816 16.344 5.928 Start of MODEL 3 1 H1 VAL 1 HT1 VAL 1 24.482 14.688 -15.676 2 H2 VAL 1 HT2 VAL 1 26.094 14.190 -15.583 3 H3 VAL 1 HT3 VAL 1 25.617 15.277 -16.794 4 HA VAL 1 HA VAL 1 26.736 16.535 -15.152 5 HB VAL 1 HB VAL 1 23.762 16.841 -14.666 6 HG11 VAL 1 HG11 VAL 1 26.022 18.824 -14.432 7 HG12 VAL 1 HG12 VAL 1 25.115 18.112 -13.098 8 HG13 VAL 1 HG13 VAL 1 24.309 19.194 -14.235 9 HG21 VAL 1 HG21 VAL 1 24.229 16.824 -17.053 10 HG22 VAL 1 HG22 VAL 1 25.483 18.045 -16.832 11 HG23 VAL 1 HG23 VAL 1 23.794 18.448 -16.520 12 H ALA 2 HN ALA 2 27.682 16.321 -13.237 13 HA ALA 2 HA ALA 2 26.428 14.595 -11.232 14 HB1 ALA 2 HB1 ALA 2 29.238 15.682 -11.372 15 HB2 ALA 2 HB2 ALA 2 28.725 14.077 -11.893 16 HB3 ALA 2 HB3 ALA 2 28.632 14.523 -10.189 17 H SER 3 HN SER 3 26.365 15.247 -8.999 18 HA SER 3 HA SER 3 26.785 18.046 -8.393 19 HB2 SER 3 HB2 SER 3 24.037 16.789 -8.213 20 HB3 SER 3 HB1 SER 3 24.473 18.362 -7.545 21 HG SER 3 HG SER 3 25.239 18.224 -10.117 22 H LYS 4 HN LYS 4 26.126 18.485 -6.065 23 HA LYS 4 HA LYS 4 27.516 16.684 -4.368 24 HB2 LYS 4 HB2 LYS 4 27.461 19.134 -4.041 25 HB3 LYS 4 HB1 LYS 4 25.744 19.041 -3.685 26 HG2 LYS 4 HG2 LYS 4 26.840 19.231 -1.614 27 HG3 LYS 4 HG1 LYS 4 26.345 17.542 -1.750 28 HD2 LYS 4 HD2 LYS 4 28.609 16.938 -2.459 29 HD3 LYS 4 HD1 LYS 4 29.102 18.628 -2.327 30 HE2 LYS 4 HE2 LYS 4 28.521 18.575 0.070 31 HE3 LYS 4 HE1 LYS 4 28.117 16.868 -0.085 32 HZ1 LYS 4 HZ1 LYS 4 30.397 16.393 -0.668 33 HZ2 LYS 4 HZ2 LYS 4 30.345 17.225 0.807 34 HZ3 LYS 4 HZ3 LYS 4 30.796 18.042 -0.608 35 H ALA 5 HN ALA 5 26.769 15.118 -3.022 36 HA ALA 5 HA ALA 5 23.914 15.007 -2.405 37 HB1 ALA 5 HB1 ALA 5 24.206 13.556 -4.356 38 HB2 ALA 5 HB2 ALA 5 23.783 12.626 -2.918 39 HB3 ALA 5 HB3 ALA 5 25.449 12.649 -3.494 40 H ILE 6 HN ILE 6 23.696 14.817 -0.280 41 HA ILE 6 HA ILE 6 25.861 13.494 1.235 42 HB ILE 6 HB ILE 6 24.123 15.731 2.288 43 HG12 ILE 6 HG12 ILE 6 26.975 15.907 1.285 44 HG13 ILE 6 HG11 ILE 6 25.569 16.521 0.422 45 HG21 ILE 6 HG21 ILE 6 25.806 15.831 4.065 46 HG22 ILE 6 HG22 ILE 6 26.669 14.485 3.321 47 HG23 ILE 6 HG23 ILE 6 25.052 14.240 3.976 48 HD11 ILE 6 HD11 ILE 6 26.747 18.303 1.570 49 HD12 ILE 6 HD12 ILE 6 26.543 17.465 3.109 50 HD13 ILE 6 HD13 ILE 6 25.133 18.082 2.246 51 H PHE 7 HN PHE 7 25.263 11.937 2.662 52 HA PHE 7 HA PHE 7 22.365 11.538 3.058 53 HB2 PHE 7 HB2 PHE 7 23.616 9.845 1.602 54 HB3 PHE 7 HB1 PHE 7 24.438 9.342 3.072 55 HD1 PHE 7 HD2 PHE 7 23.093 8.371 4.946 56 HD2 PHE 7 HD1 PHE 7 21.442 9.115 1.099 57 HE1 PHE 7 HE2 PHE 7 21.238 6.839 5.451 58 HE2 PHE 7 HE1 PHE 7 19.583 7.584 1.597 59 HZ PHE 7 HZ PHE 7 19.482 6.442 3.776 60 H TYR 8 HN TYR 8 21.939 12.236 5.062 61 HA TYR 8 HA TYR 8 23.881 11.793 7.209 62 HB2 TYR 8 HB2 TYR 8 21.359 13.446 7.052 63 HB3 TYR 8 HB1 TYR 8 22.254 13.207 8.546 64 HD1 TYR 8 HD1 TYR 8 24.690 13.983 8.601 65 HD2 TYR 8 HD2 TYR 8 21.942 15.160 5.577 66 HE1 TYR 8 HE1 TYR 8 26.105 15.925 8.081 67 HE2 TYR 8 HE2 TYR 8 23.352 17.103 5.043 68 HH TYR 8 HH TYR 8 25.058 18.510 6.190 69 H HIS 9 HN HIS 9 23.677 10.124 8.573 70 HA HIS 9 HA HIS 9 21.124 9.522 9.710 71 HB2 HIS 9 HB2 HIS 9 20.886 7.237 9.071 72 HB3 HIS 9 HB1 HIS 9 21.079 8.169 7.595 73 HD2 HIS 9 HD2 HIS 9 23.601 7.818 6.304 74 HE1 HIS 9 HE1 HIS 9 24.342 4.191 8.348 75 HE2 HIS 9 HE2 HIS 9 24.778 5.503 6.227 76 H ALA 10 HN ALA 10 21.413 7.521 11.268 77 HA ALA 10 HA ALA 10 24.005 7.948 12.608 78 HB1 ALA 10 HB1 ALA 10 22.859 7.682 14.735 79 HB2 ALA 10 HB2 ALA 10 21.332 7.411 13.894 80 HB3 ALA 10 HB3 ALA 10 22.127 8.981 13.794 81 H GLY 11 HN GLY 11 22.610 5.718 10.801 82 HA2 GLY 11 HA2 GLY 11 23.295 3.495 10.547 83 HA3 GLY 11 HA1 GLY 11 23.960 3.536 12.173 84 H CYS 12 HN CYS 12 20.805 4.740 11.930 85 HA CYS 12 HA CYS 12 19.704 2.755 13.610 86 HB2 CYS 12 HB2 CYS 12 18.159 4.672 11.859 87 HB3 CYS 12 HB1 CYS 12 17.655 3.969 13.392 88 HG CYS 12 HG CYS 12 19.717 5.370 14.825 89 HA PRO 13 HA PRO 13 18.583 -0.519 10.861 90 HB2 PRO 13 HB2 PRO 13 16.007 -1.022 11.809 91 HB3 PRO 13 HB1 PRO 13 17.496 -1.720 12.448 92 HG2 PRO 13 HG2 PRO 13 15.913 0.606 13.439 93 HG3 PRO 13 HG1 PRO 13 16.776 -0.642 14.358 94 HD2 PRO 13 HD2 PRO 13 17.786 1.819 14.076 95 HD3 PRO 13 HD1 PRO 13 18.838 0.387 14.053 96 H VAL 14 HN VAL 14 16.425 2.203 11.265 97 HA VAL 14 HA VAL 14 14.717 1.635 9.066 98 HB VAL 14 HB VAL 14 15.280 4.307 10.366 99 HG11 VAL 14 HG11 VAL 14 13.082 4.950 9.496 100 HG12 VAL 14 HG12 VAL 14 12.948 3.388 8.687 101 HG13 VAL 14 HG13 VAL 14 14.198 4.532 8.197 102 HG21 VAL 14 HG21 VAL 14 13.272 3.869 11.701 103 HG22 VAL 14 HG22 VAL 14 14.531 2.671 12.006 104 HG23 VAL 14 HG23 VAL 14 13.151 2.261 10.986 105 H CYS 15 HN CYS 15 17.612 3.672 9.452 106 HA CYS 15 HA CYS 15 17.384 4.644 6.751 107 HB2 CYS 15 HB2 CYS 15 19.522 5.823 7.256 108 HB3 CYS 15 HB1 CYS 15 18.215 6.191 8.373 109 HG CYS 15 HG CYS 15 21.219 4.975 8.978 110 H VAL 16 HN VAL 16 18.857 1.963 8.282 111 HA VAL 16 HA VAL 16 20.976 1.424 6.542 112 HB VAL 16 HB VAL 16 19.135 -0.548 7.919 113 HG11 VAL 16 HG11 VAL 16 20.293 -1.608 6.053 114 HG12 VAL 16 HG12 VAL 16 20.926 -2.188 7.594 115 HG13 VAL 16 HG13 VAL 16 21.837 -1.005 6.655 116 HG21 VAL 16 HG21 VAL 16 21.842 0.532 8.699 117 HG22 VAL 16 HG22 VAL 16 20.951 -0.722 9.560 118 HG23 VAL 16 HG23 VAL 16 20.304 0.916 9.471 119 H SER 17 HN SER 17 17.541 0.545 6.298 120 HA SER 17 HA SER 17 17.688 -0.828 3.857 121 HB2 SER 17 HB2 SER 17 15.356 0.793 4.908 122 HB3 SER 17 HB1 SER 17 15.281 -0.532 3.746 123 HG SER 17 HG SER 17 16.100 -1.902 5.427 124 H ALA 18 HN ALA 18 17.467 2.587 4.609 125 HA ALA 18 HA ALA 18 16.862 3.442 1.952 126 HB1 ALA 18 HB1 ALA 18 18.020 5.010 4.255 127 HB2 ALA 18 HB2 ALA 18 16.303 4.806 3.906 128 HB3 ALA 18 HB3 ALA 18 17.332 5.687 2.779 129 H GLU 19 HN GLU 19 19.812 3.083 3.855 130 HA GLU 19 HA GLU 19 21.579 4.203 1.945 131 HB2 GLU 19 HB2 GLU 19 22.074 3.834 4.382 132 HB3 GLU 19 HB1 GLU 19 22.205 2.115 4.043 133 HG2 GLU 19 HG2 GLU 19 24.058 2.579 2.498 134 HG3 GLU 19 HG1 GLU 19 23.943 4.291 2.901 135 H GLN 20 HN GLN 20 20.046 1.126 2.265 136 HA GLN 20 HA GLN 20 21.763 -0.201 0.366 137 HB2 GLN 20 HB2 GLN 20 19.135 -1.006 1.617 138 HB3 GLN 20 HB1 GLN 20 20.066 -2.030 0.532 139 HG2 GLN 20 HG2 GLN 20 21.871 -2.157 2.082 140 HG3 GLN 20 HG1 GLN 20 21.132 -0.940 3.122 141 HE21 GLN 20 HE21 GLN 20 21.947 -3.699 3.678 142 HE22 GLN 20 HE22 GLN 20 20.529 -4.494 4.274 143 H ALA 21 HN ALA 21 18.331 0.793 0.373 144 HA ALA 21 HA ALA 21 18.077 0.156 -2.419 145 HB1 ALA 21 HB1 ALA 21 16.229 -0.196 -0.861 146 HB2 ALA 21 HB2 ALA 21 15.773 0.885 -2.178 147 HB3 ALA 21 HB3 ALA 21 16.134 1.542 -0.582 148 H VAL 22 HN VAL 22 17.485 3.220 -0.666 149 HA VAL 22 HA VAL 22 17.222 4.710 -3.047 150 HB VAL 22 HB VAL 22 17.877 5.828 -0.319 151 HG11 VAL 22 HG11 VAL 22 16.700 7.814 -1.119 152 HG12 VAL 22 HG12 VAL 22 16.439 7.037 -2.681 153 HG13 VAL 22 HG13 VAL 22 18.076 7.429 -2.153 154 HG21 VAL 22 HG21 VAL 22 15.966 4.334 -0.141 155 HG22 VAL 22 HG22 VAL 22 15.183 5.147 -1.496 156 HG23 VAL 22 HG23 VAL 22 15.452 6.014 0.016 157 H ALA 23 HN ALA 23 19.949 4.213 -0.852 158 HA ALA 23 HA ALA 23 21.600 6.153 -2.171 159 HB1 ALA 23 HB1 ALA 23 21.870 5.653 0.206 160 HB2 ALA 23 HB2 ALA 23 23.366 5.397 -0.692 161 HB3 ALA 23 HB3 ALA 23 22.386 4.017 -0.200 162 H ASN 24 HN ASN 24 20.616 3.158 -3.172 163 HA ASN 24 HA ASN 24 23.004 2.952 -4.884 164 HB2 ASN 24 HB2 ASN 24 21.139 0.844 -3.870 165 HB3 ASN 24 HB1 ASN 24 21.929 0.613 -5.427 166 HD21 ASN 24 HD21 ASN 24 22.319 0.690 -2.009 167 HD22 ASN 24 HD22 ASN 24 23.976 0.181 -1.973 168 H ALA 25 HN ALA 25 19.786 3.859 -4.760 169 HA ALA 25 HA ALA 25 19.219 3.484 -7.564 170 HB1 ALA 25 HB1 ALA 25 17.834 5.208 -5.504 171 HB2 ALA 25 HB2 ALA 25 17.392 3.556 -5.932 172 HB3 ALA 25 HB3 ALA 25 17.232 4.848 -7.123 173 H ILE 26 HN ILE 26 20.452 5.952 -5.435 174 HA ILE 26 HA ILE 26 21.087 7.661 -7.740 175 HB ILE 26 HB ILE 26 21.306 8.303 -4.787 176 HG12 ILE 26 HG12 ILE 26 19.219 9.211 -6.784 177 HG13 ILE 26 HG11 ILE 26 18.959 7.977 -5.556 178 HG21 ILE 26 HG21 ILE 26 21.547 10.066 -7.224 179 HG22 ILE 26 HG22 ILE 26 22.861 9.576 -6.154 180 HG23 ILE 26 HG23 ILE 26 21.576 10.621 -5.550 181 HD11 ILE 26 HD11 ILE 26 19.344 9.630 -3.810 182 HD12 ILE 26 HD12 ILE 26 18.032 10.118 -4.882 183 HD13 ILE 26 HD13 ILE 26 19.621 10.866 -5.036 184 H ASP 27 HN ASP 27 22.956 6.902 -8.600 185 HA ASP 27 HA ASP 27 25.040 5.978 -6.752 186 HB2 ASP 27 HB2 ASP 27 25.819 4.525 -8.437 187 HB3 ASP 27 HB1 ASP 27 24.066 4.417 -8.528 188 HA PRO 28 HA PRO 28 27.924 9.094 -7.557 189 HB2 PRO 28 HB2 PRO 28 29.958 7.191 -8.549 190 HB3 PRO 28 HB1 PRO 28 30.005 8.270 -7.152 191 HG2 PRO 28 HG2 PRO 28 29.701 5.644 -6.839 192 HG3 PRO 28 HG1 PRO 28 28.829 6.794 -5.808 193 HD2 PRO 28 HD2 PRO 28 27.838 5.234 -8.167 194 HD3 PRO 28 HD1 PRO 28 27.040 5.550 -6.611 195 H SER 29 HN SER 29 27.075 7.203 -10.311 196 HA SER 29 HA SER 29 28.683 8.648 -12.199 197 HB2 SER 29 HB2 SER 29 26.110 7.155 -12.757 198 HB3 SER 29 HB1 SER 29 27.388 7.547 -13.907 199 HG SER 29 HG SER 29 27.306 5.597 -11.896 200 H LYS 30 HN LYS 30 25.731 9.208 -10.542 201 HA LYS 30 HA LYS 30 25.127 11.473 -12.318 202 HB2 LYS 30 HB2 LYS 30 23.300 10.022 -10.398 203 HB3 LYS 30 HB1 LYS 30 22.841 11.381 -11.412 204 HG2 LYS 30 HG2 LYS 30 23.377 10.014 -13.408 205 HG3 LYS 30 HG1 LYS 30 23.691 8.646 -12.339 206 HD2 LYS 30 HD2 LYS 30 21.451 8.470 -13.207 207 HD3 LYS 30 HD1 LYS 30 21.374 8.841 -11.483 208 HE2 LYS 30 HE2 LYS 30 19.753 10.194 -12.606 209 HE3 LYS 30 HE1 LYS 30 21.071 11.240 -12.082 210 HZ1 LYS 30 HZ1 LYS 30 21.979 11.067 -14.371 211 HZ2 LYS 30 HZ2 LYS 30 20.467 11.827 -14.292 212 HZ3 LYS 30 HZ3 LYS 30 20.577 10.225 -14.833 213 H TYR 31 HN TYR 31 25.274 10.494 -8.906 214 HA TYR 31 HA TYR 31 25.874 13.289 -8.230 215 HB2 TYR 31 HB2 TYR 31 23.913 11.490 -6.787 216 HB3 TYR 31 HB1 TYR 31 24.519 13.008 -6.135 217 HD1 TYR 31 HD2 TYR 31 22.345 11.474 -8.665 218 HD2 TYR 31 HD1 TYR 31 23.745 15.128 -6.999 219 HE1 TYR 31 HE2 TYR 31 20.541 12.682 -9.813 220 HE2 TYR 31 HE1 TYR 31 21.939 16.345 -8.140 221 HH TYR 31 HH TYR 31 19.288 14.797 -9.556 222 H THR 32 HN THR 32 27.369 13.566 -6.606 223 HA THR 32 HA THR 32 28.935 11.223 -5.929 224 HB THR 32 HB THR 32 29.398 14.064 -5.001 225 HG1 THR 32 HG1 THR 32 29.780 12.859 -7.498 226 HG21 THR 32 HG21 THR 32 31.270 11.723 -5.401 227 HG22 THR 32 HG22 THR 32 30.705 12.341 -3.849 228 HG23 THR 32 HG23 THR 32 31.741 13.338 -4.870 229 H VAL 33 HN VAL 33 27.685 10.039 -4.508 230 HA VAL 33 HA VAL 33 26.296 11.311 -2.333 231 HB VAL 33 HB VAL 33 26.646 8.360 -2.888 232 HG11 VAL 33 HG11 VAL 33 25.996 8.807 -0.589 233 HG12 VAL 33 HG12 VAL 33 24.647 8.102 -1.482 234 HG13 VAL 33 HG13 VAL 33 24.673 9.832 -1.144 235 HG21 VAL 33 HG21 VAL 33 24.424 8.475 -3.908 236 HG22 VAL 33 HG22 VAL 33 25.579 9.497 -4.765 237 HG23 VAL 33 HG23 VAL 33 24.403 10.222 -3.669 238 H GLU 34 HN GLU 34 27.393 11.993 -0.634 239 HA GLU 34 HA GLU 34 29.529 10.294 0.454 240 HB2 GLU 34 HB2 GLU 34 28.918 13.222 0.858 241 HB3 GLU 34 HB1 GLU 34 30.128 12.346 1.786 242 HG2 GLU 34 HG2 GLU 34 31.346 11.845 -0.266 243 HG3 GLU 34 HG1 GLU 34 30.131 12.716 -1.200 244 H ILE 35 HN ILE 35 29.013 9.056 2.090 245 HA ILE 35 HA ILE 35 26.564 9.438 3.570 246 HB ILE 35 HB ILE 35 28.757 7.414 4.068 247 HG12 ILE 35 HG12 ILE 35 27.907 7.233 1.763 248 HG13 ILE 35 HG11 ILE 35 27.431 5.846 2.736 249 HG21 ILE 35 HG21 ILE 35 25.851 7.433 4.876 250 HG22 ILE 35 HG22 ILE 35 27.231 7.697 5.943 251 HG23 ILE 35 HG23 ILE 35 26.995 6.125 5.176 252 HD11 ILE 35 HD11 ILE 35 25.681 8.189 2.022 253 HD12 ILE 35 HD12 ILE 35 25.199 6.798 2.995 254 HD13 ILE 35 HD13 ILE 35 25.623 6.581 1.298 255 H VAL 36 HN VAL 36 26.350 10.448 5.475 256 HA VAL 36 HA VAL 36 28.796 10.995 7.030 257 HB VAL 36 HB VAL 36 26.354 12.773 6.839 258 HG11 VAL 36 HG11 VAL 36 27.690 14.366 8.141 259 HG12 VAL 36 HG12 VAL 36 28.980 13.172 8.275 260 HG13 VAL 36 HG13 VAL 36 27.416 12.869 9.033 261 HG21 VAL 36 HG21 VAL 36 27.835 14.345 5.678 262 HG22 VAL 36 HG22 VAL 36 27.670 12.833 4.785 263 HG23 VAL 36 HG23 VAL 36 29.132 13.151 5.719 264 H HIS 37 HN HIS 37 28.803 9.766 8.749 265 HA HIS 37 HA HIS 37 26.322 8.810 9.929 266 HB2 HIS 37 HB2 HIS 37 28.339 7.340 9.514 267 HB3 HIS 37 HB1 HIS 37 29.163 8.229 10.789 268 HD2 HIS 37 HD2 HIS 37 26.081 5.822 10.413 269 HE1 HIS 37 HE1 HIS 37 27.520 5.720 14.389 270 HE2 HIS 37 HE2 HIS 37 25.742 4.868 12.803 271 H LEU 38 HN LEU 38 25.342 9.915 11.473 272 HA LEU 38 HA LEU 38 26.797 11.996 12.912 273 HB2 LEU 38 HB2 LEU 38 23.850 11.328 12.937 274 HB3 LEU 38 HB1 LEU 38 24.591 12.753 13.638 275 HG LEU 38 HG LEU 38 24.498 12.092 10.692 276 HD11 LEU 38 HD11 LEU 38 23.018 14.165 12.303 277 HD12 LEU 38 HD12 LEU 38 22.320 12.714 11.583 278 HD13 LEU 38 HD13 LEU 38 22.966 13.989 10.550 279 HD21 LEU 38 HD21 LEU 38 25.541 14.532 12.126 280 HD22 LEU 38 HD22 LEU 38 25.394 14.345 10.377 281 HD23 LEU 38 HD23 LEU 38 26.513 13.326 11.283 282 H GLY 39 HN GLY 39 26.379 8.818 13.392 283 HA2 GLY 39 HA2 GLY 39 25.458 8.812 16.124 284 HA3 GLY 39 HA1 GLY 39 26.066 7.431 15.223 285 H THR 40 HN THR 40 28.561 7.962 14.585 286 HA THR 40 HA THR 40 29.921 7.753 17.076 287 HB THR 40 HB THR 40 31.137 8.100 14.327 288 HG1 THR 40 HG1 THR 40 30.139 5.817 15.714 289 HG21 THR 40 HG21 THR 40 33.044 6.897 15.288 290 HG22 THR 40 HG22 THR 40 32.227 6.837 16.849 291 HG23 THR 40 HG23 THR 40 32.727 8.388 16.175 292 H ASP 41 HN ASP 41 29.684 10.280 14.607 293 HA ASP 41 HA ASP 41 31.184 12.074 16.388 294 HB2 ASP 41 HB2 ASP 41 31.892 11.737 13.933 295 HB3 ASP 41 HB1 ASP 41 30.462 12.680 13.526 296 H LYS 42 HN LYS 42 29.705 12.845 17.773 297 HA LYS 42 HA LYS 42 27.005 13.410 16.895 298 HB2 LYS 42 HB2 LYS 42 28.313 13.640 19.611 299 HB3 LYS 42 HB1 LYS 42 26.602 13.903 19.297 300 HG2 LYS 42 HG2 LYS 42 26.319 11.618 18.619 301 HG3 LYS 42 HG1 LYS 42 28.054 11.328 18.741 302 HD2 LYS 42 HD2 LYS 42 27.929 11.814 21.160 303 HD3 LYS 42 HD1 LYS 42 26.180 12.000 21.008 304 HE2 LYS 42 HE2 LYS 42 26.868 9.763 21.833 305 HE3 LYS 42 HE1 LYS 42 25.940 9.704 20.334 306 HZ1 LYS 42 HZ1 LYS 42 28.907 9.596 20.460 307 HZ2 LYS 42 HZ2 LYS 42 27.935 9.358 19.092 308 HZ3 LYS 42 HZ3 LYS 42 27.911 8.227 20.350 309 H ALA 43 HN ALA 43 29.870 15.114 16.977 310 HA ALA 43 HA ALA 43 28.802 17.700 17.619 311 HB1 ALA 43 HB1 ALA 43 31.180 17.211 17.911 312 HB2 ALA 43 HB2 ALA 43 30.937 18.561 16.802 313 HB3 ALA 43 HB3 ALA 43 31.347 16.964 16.173 314 H ARG 44 HN ARG 44 28.946 15.665 14.858 315 HA ARG 44 HA ARG 44 28.568 17.688 12.881 316 HB2 ARG 44 HB2 ARG 44 28.072 14.710 12.780 317 HB3 ARG 44 HB1 ARG 44 28.006 15.785 11.389 318 HG2 ARG 44 HG2 ARG 44 30.351 16.360 11.716 319 HG3 ARG 44 HG1 ARG 44 30.419 15.284 13.113 320 HD2 ARG 44 HD2 ARG 44 29.876 13.384 11.667 321 HD3 ARG 44 HD1 ARG 44 29.823 14.466 10.272 322 HE ARG 44 HE ARG 44 32.298 14.678 11.651 323 HH11 ARG 44 HH11 ARG 44 30.554 12.593 9.443 324 HH12 ARG 44 HH12 ARG 44 31.997 11.990 8.679 325 HH21 ARG 44 HH21 ARG 44 34.173 13.892 10.682 326 HH22 ARG 44 HH22 ARG 44 34.061 12.743 9.376 327 H ILE 45 HN ILE 45 26.543 16.333 15.215 328 HA ILE 45 HA ILE 45 24.041 16.533 13.913 329 HB ILE 45 HB ILE 45 24.737 16.882 16.840 330 HG12 ILE 45 HG12 ILE 45 23.637 14.505 15.319 331 HG13 ILE 45 HG11 ILE 45 25.292 14.672 15.895 332 HG21 ILE 45 HG21 ILE 45 22.364 16.475 17.292 333 HG22 ILE 45 HG22 ILE 45 22.036 16.468 15.559 334 HG23 ILE 45 HG23 ILE 45 22.602 17.943 16.344 335 HD11 ILE 45 HD11 ILE 45 22.829 14.526 17.617 336 HD12 ILE 45 HD12 ILE 45 24.485 14.698 18.198 337 HD13 ILE 45 HD13 ILE 45 23.996 13.232 17.349 338 H ALA 46 HN ALA 46 26.179 18.849 15.432 339 HA ALA 46 HA ALA 46 24.396 21.064 15.381 340 HB1 ALA 46 HB1 ALA 46 26.394 22.430 15.713 341 HB2 ALA 46 HB2 ALA 46 27.415 21.038 15.354 342 HB3 ALA 46 HB3 ALA 46 26.397 21.036 16.794 343 H GLU 47 HN GLU 47 26.716 19.701 13.116 344 HA GLU 47 HA GLU 47 26.504 21.765 11.170 345 HB2 GLU 47 HB2 GLU 47 27.375 18.882 10.884 346 HB3 GLU 47 HB1 GLU 47 27.574 20.119 9.651 347 HG2 GLU 47 HG2 GLU 47 29.029 21.384 11.142 348 HG3 GLU 47 HG1 GLU 47 28.818 20.161 12.392 349 H ALA 48 HN ALA 48 24.704 18.871 11.891 350 HA ALA 48 HA ALA 48 23.247 18.647 9.498 351 HB1 ALA 48 HB1 ALA 48 23.325 16.872 11.182 352 HB2 ALA 48 HB2 ALA 48 21.665 17.314 10.784 353 HB3 ALA 48 HB3 ALA 48 22.391 17.882 12.287 354 H GLU 49 HN GLU 49 22.300 20.178 12.592 355 HA GLU 49 HA GLU 49 19.925 21.322 11.587 356 HB2 GLU 49 HB2 GLU 49 21.638 22.210 13.915 357 HB3 GLU 49 HB1 GLU 49 20.011 22.788 13.583 358 HG2 GLU 49 HG2 GLU 49 19.287 20.362 13.726 359 HG3 GLU 49 HG1 GLU 49 20.878 20.044 14.414 360 H LYS 50 HN LYS 50 23.237 22.344 11.559 361 HA LYS 50 HA LYS 50 22.928 25.037 10.845 362 HB2 LYS 50 HB2 LYS 50 25.054 24.048 11.564 363 HB3 LYS 50 HB1 LYS 50 25.104 23.070 10.106 364 HG2 LYS 50 HG2 LYS 50 25.291 25.102 8.758 365 HG3 LYS 50 HG1 LYS 50 25.258 26.074 10.232 366 HD2 LYS 50 HD2 LYS 50 27.290 24.944 11.012 367 HD3 LYS 50 HD1 LYS 50 27.323 23.986 9.533 368 HE2 LYS 50 HE2 LYS 50 27.514 26.991 9.674 369 HE3 LYS 50 HE1 LYS 50 28.875 25.892 9.459 370 HZ1 LYS 50 HZ1 LYS 50 26.603 26.296 7.588 371 HZ2 LYS 50 HZ2 LYS 50 27.792 25.106 7.398 372 HZ3 LYS 50 HZ3 LYS 50 28.221 26.747 7.344 373 H ALA 51 HN ALA 51 22.926 22.081 8.932 374 HA ALA 51 HA ALA 51 22.706 23.517 6.427 375 HB1 ALA 51 HB1 ALA 51 23.958 21.417 6.529 376 HB2 ALA 51 HB2 ALA 51 22.605 21.305 5.402 377 HB3 ALA 51 HB3 ALA 51 22.488 20.562 6.997 378 H GLY 52 HN GLY 52 20.592 22.088 8.776 379 HA2 GLY 52 HA2 GLY 52 18.294 23.003 8.715 380 HA3 GLY 52 HA1 GLY 52 18.307 22.667 6.991 381 H VAL 53 HN VAL 53 19.911 20.216 8.550 382 HA VAL 53 HA VAL 53 17.860 18.315 8.015 383 HB VAL 53 HB VAL 53 20.438 17.999 9.565 384 HG11 VAL 53 HG11 VAL 53 18.598 15.898 8.425 385 HG12 VAL 53 HG12 VAL 53 18.852 16.244 10.135 386 HG13 VAL 53 HG13 VAL 53 20.173 15.597 9.161 387 HG21 VAL 53 HG21 VAL 53 19.777 17.384 6.688 388 HG22 VAL 53 HG22 VAL 53 21.302 17.014 7.493 389 HG23 VAL 53 HG23 VAL 53 20.809 18.692 7.264 390 H LYS 54 HN LYS 54 16.122 18.032 9.229 391 HA LYS 54 HA LYS 54 16.324 18.609 12.106 392 HB2 LYS 54 HB2 LYS 54 13.982 18.849 10.220 393 HB3 LYS 54 HB1 LYS 54 13.846 19.004 11.968 394 HG2 LYS 54 HG2 LYS 54 15.249 20.937 11.977 395 HG3 LYS 54 HG1 LYS 54 15.637 20.723 10.269 396 HD2 LYS 54 HD2 LYS 54 13.347 21.183 9.653 397 HD3 LYS 54 HD1 LYS 54 12.877 21.272 11.351 398 HE2 LYS 54 HE2 LYS 54 13.154 23.493 10.312 399 HE3 LYS 54 HE1 LYS 54 14.240 23.232 11.675 400 HZ1 LYS 54 HZ1 LYS 54 16.050 22.852 10.191 401 HZ2 LYS 54 HZ2 LYS 54 15.297 24.299 9.723 402 HZ3 LYS 54 HZ3 LYS 54 15.032 22.880 8.832 403 H SER 55 HN SER 55 15.870 16.120 9.869 404 HA SER 55 HA SER 55 15.232 14.312 12.070 405 HB2 SER 55 HB2 SER 55 13.710 14.293 9.448 406 HB3 SER 55 HB1 SER 55 13.541 13.108 10.745 407 HG SER 55 HG SER 55 12.567 15.699 10.550 408 H VAL 56 HN VAL 56 15.778 12.082 11.598 409 HA VAL 56 HA VAL 56 17.551 11.771 9.264 410 HB VAL 56 HB VAL 56 18.821 10.073 10.564 411 HG11 VAL 56 HG11 VAL 56 18.749 12.830 11.787 412 HG12 VAL 56 HG12 VAL 56 19.674 12.340 10.368 413 HG13 VAL 56 HG13 VAL 56 20.066 11.668 11.951 414 HG21 VAL 56 HG21 VAL 56 17.122 9.478 12.201 415 HG22 VAL 56 HG22 VAL 56 17.207 11.095 12.900 416 HG23 VAL 56 HG23 VAL 56 18.597 10.013 13.006 417 HA PRO 57 HA PRO 57 18.623 10.126 8.348 418 HB2 PRO 57 HB2 PRO 57 18.408 8.921 5.965 419 HB3 PRO 57 HB1 PRO 57 18.719 8.001 7.442 420 HG2 PRO 57 HG2 PRO 57 16.155 8.382 5.950 421 HG3 PRO 57 HG1 PRO 57 16.807 6.914 6.702 422 HD2 PRO 57 HD2 PRO 57 14.898 8.530 7.853 423 HD3 PRO 57 HD1 PRO 57 15.990 7.469 8.764 424 H ALA 58 HN ALA 58 19.340 11.504 6.649 425 HA ALA 58 HA ALA 58 17.189 12.957 5.257 426 HB1 ALA 58 HB1 ALA 58 19.609 14.200 6.559 427 HB2 ALA 58 HB2 ALA 58 17.958 14.269 7.175 428 HB3 ALA 58 HB3 ALA 58 18.363 15.054 5.648 429 H LEU 59 HN LEU 59 17.432 12.897 3.151 430 HA LEU 59 HA LEU 59 20.088 12.407 2.009 431 HB2 LEU 59 HB2 LEU 59 18.309 10.883 1.318 432 HB3 LEU 59 HB1 LEU 59 17.327 12.236 0.791 433 HG LEU 59 HG LEU 59 19.027 12.752 -0.944 434 HD11 LEU 59 HD11 LEU 59 20.976 11.769 0.133 435 HD12 LEU 59 HD12 LEU 59 20.728 11.075 -1.469 436 HD13 LEU 59 HD13 LEU 59 20.270 10.161 -0.032 437 HD21 LEU 59 HD21 LEU 59 17.897 9.957 -0.998 438 HD22 LEU 59 HD22 LEU 59 18.461 10.865 -2.401 439 HD23 LEU 59 HD23 LEU 59 17.062 11.431 -1.490 440 H VAL 60 HN VAL 60 21.163 14.222 1.578 441 HA VAL 60 HA VAL 60 19.666 16.629 0.836 442 HB VAL 60 HB VAL 60 22.597 16.360 1.530 443 HG11 VAL 60 HG11 VAL 60 22.525 18.801 1.775 444 HG12 VAL 60 HG12 VAL 60 20.847 18.801 1.228 445 HG13 VAL 60 HG13 VAL 60 22.133 18.296 0.130 446 HG21 VAL 60 HG21 VAL 60 21.189 15.792 3.436 447 HG22 VAL 60 HG22 VAL 60 20.289 17.296 3.233 448 HG23 VAL 60 HG23 VAL 60 21.992 17.342 3.690 449 H ILE 61 HN ILE 61 19.275 16.709 -1.270 450 HA ILE 61 HA ILE 61 21.354 15.914 -3.172 451 HB ILE 61 HB ILE 61 18.487 16.745 -3.688 452 HG12 ILE 61 HG12 ILE 61 19.762 13.996 -3.705 453 HG13 ILE 61 HG11 ILE 61 18.694 14.611 -2.448 454 HG21 ILE 61 HG21 ILE 61 20.556 15.555 -5.537 455 HG22 ILE 61 HG22 ILE 61 19.939 17.207 -5.587 456 HG23 ILE 61 HG23 ILE 61 18.866 15.854 -5.945 457 HD11 ILE 61 HD11 ILE 61 17.946 14.159 -5.328 458 HD12 ILE 61 HD12 ILE 61 16.875 14.757 -4.061 459 HD13 ILE 61 HD13 ILE 61 17.524 13.119 -3.966 460 H ASP 62 HN ASP 62 22.795 17.457 -3.482 461 HA ASP 62 HA ASP 62 23.791 19.421 -3.965 462 HB2 ASP 62 HB2 ASP 62 22.266 19.506 -5.894 463 HB3 ASP 62 HB1 ASP 62 21.061 20.323 -4.899 464 H GLY 63 HN GLY 63 20.626 20.695 -3.037 465 HA2 GLY 63 HA2 GLY 63 21.767 21.643 -0.511 466 HA3 GLY 63 HA1 GLY 63 21.105 22.842 -1.615 467 H ALA 64 HN ALA 64 19.459 19.928 -1.864 468 HA ALA 64 HA ALA 64 17.305 20.970 -0.149 469 HB1 ALA 64 HB1 ALA 64 17.100 19.171 -2.563 470 HB2 ALA 64 HB2 ALA 64 16.737 20.896 -2.526 471 HB3 ALA 64 HB3 ALA 64 15.750 19.768 -1.599 472 H ALA 65 HN ALA 65 17.078 19.896 1.691 473 HA ALA 65 HA ALA 65 18.115 17.180 1.911 474 HB1 ALA 65 HB1 ALA 65 17.905 17.494 4.319 475 HB2 ALA 65 HB2 ALA 65 17.123 19.053 4.056 476 HB3 ALA 65 HB3 ALA 65 18.808 18.821 3.588 477 H PHE 66 HN PHE 66 16.772 15.574 1.496 478 HA PHE 66 HA PHE 66 13.933 15.857 2.228 479 HB2 PHE 66 HB2 PHE 66 15.270 13.912 0.331 480 HB3 PHE 66 HB1 PHE 66 13.550 13.945 0.697 481 HD1 PHE 66 HD2 PHE 66 12.157 15.824 -0.063 482 HD2 PHE 66 HD1 PHE 66 16.252 15.471 -1.171 483 HE1 PHE 66 HE2 PHE 66 11.803 17.451 -1.875 484 HE2 PHE 66 HE1 PHE 66 15.904 17.096 -2.984 485 HZ PHE 66 HZ PHE 66 13.679 18.088 -3.337 486 H HIS 67 HN HIS 67 13.417 14.979 4.109 487 HA HIS 67 HA HIS 67 15.108 13.062 5.407 488 HB2 HIS 67 HB2 HIS 67 12.321 13.986 6.151 489 HB3 HIS 67 HB1 HIS 67 13.438 13.119 7.199 490 HD1 HIS 67 HD1 HIS 67 12.368 16.479 6.393 491 HD2 HIS 67 HD2 HIS 67 15.893 14.696 7.679 492 HE1 HIS 67 HE1 HIS 67 13.774 18.328 7.395 493 H ILE 68 HN ILE 68 15.144 10.982 4.821 494 HA ILE 68 HA ILE 68 13.023 9.825 3.272 495 HB ILE 68 HB ILE 68 15.396 8.412 4.501 496 HG12 ILE 68 HG12 ILE 68 15.106 9.658 1.756 497 HG13 ILE 68 HG11 ILE 68 16.086 10.306 3.067 498 HG21 ILE 68 HG21 ILE 68 13.620 6.907 3.779 499 HG22 ILE 68 HG22 ILE 68 15.023 6.766 2.720 500 HG23 ILE 68 HG23 ILE 68 13.604 7.669 2.189 501 HD11 ILE 68 HD11 ILE 68 17.454 9.142 1.444 502 HD12 ILE 68 HD12 ILE 68 16.508 7.671 1.675 503 HD13 ILE 68 HD13 ILE 68 17.486 8.307 2.998 504 H ASN 69 HN ASN 69 11.185 9.684 4.418 505 HA ASN 69 HA ASN 69 9.641 9.031 5.937 506 HB2 ASN 69 HB2 ASN 69 11.716 7.008 6.818 507 HB3 ASN 69 HB1 ASN 69 10.033 7.023 7.326 508 HD21 ASN 69 HD21 ASN 69 12.256 6.255 4.819 509 HD22 ASN 69 HD22 ASN 69 11.137 5.445 3.783 510 H PHE 70 HN PHE 70 9.260 8.904 8.383 511 HA PHE 70 HA PHE 70 11.075 10.804 9.668 512 HB2 PHE 70 HB2 PHE 70 8.644 11.368 9.600 513 HB3 PHE 70 HB1 PHE 70 8.317 9.935 10.569 514 HD1 PHE 70 HD2 PHE 70 10.151 13.159 10.592 515 HD2 PHE 70 HD1 PHE 70 8.433 10.023 12.900 516 HE1 PHE 70 HE2 PHE 70 10.524 14.468 12.642 517 HE2 PHE 70 HE1 PHE 70 8.802 11.327 14.953 518 HZ PHE 70 HZ PHE 70 9.850 13.551 14.826 519 H GLY 71 HN GLY 71 12.723 9.409 10.232 520 HA2 GLY 71 HA2 GLY 71 12.159 7.056 11.823 521 HA3 GLY 71 HA1 GLY 71 13.748 7.660 11.372 522 H ALA 72 HN ALA 72 14.352 9.770 12.436 523 HA ALA 72 HA ALA 72 13.198 10.060 15.113 524 HB1 ALA 72 HB1 ALA 72 16.157 9.782 14.585 525 HB2 ALA 72 HB2 ALA 72 15.130 8.577 15.361 526 HB3 ALA 72 HB3 ALA 72 15.409 10.133 16.143 527 H GLY 73 HN GLY 73 12.865 12.138 15.618 528 HA2 GLY 73 HA2 GLY 73 13.739 14.227 13.848 529 HA3 GLY 73 HA1 GLY 73 12.826 14.433 15.338 530 H ILE 74 HN ILE 74 15.216 15.873 14.263 531 HA ILE 74 HA ILE 74 17.466 15.015 15.800 532 HB ILE 74 HB ILE 74 17.501 16.361 13.618 533 HG12 ILE 74 HG12 ILE 74 19.239 17.446 15.834 534 HG13 ILE 74 HG11 ILE 74 19.447 15.831 15.166 535 HG21 ILE 74 HG21 ILE 74 15.990 18.147 14.285 536 HG22 ILE 74 HG22 ILE 74 17.575 18.801 13.873 537 HG23 ILE 74 HG23 ILE 74 17.103 18.633 15.564 538 HD11 ILE 74 HD11 ILE 74 19.653 18.411 13.634 539 HD12 ILE 74 HD12 ILE 74 19.869 16.792 12.969 540 HD13 ILE 74 HD13 ILE 74 20.999 17.409 14.174 541 H ASP 75 HN ASP 75 14.696 16.890 16.500 542 HA ASP 75 HA ASP 75 15.858 18.256 18.766 543 HB2 ASP 75 HB2 ASP 75 12.965 17.839 17.978 544 HB3 ASP 75 HB1 ASP 75 13.499 18.832 19.331 545 H ASP 76 HN ASP 76 14.452 15.195 18.098 546 HA ASP 76 HA ASP 76 14.015 14.506 20.871 547 HB2 ASP 76 HB2 ASP 76 12.638 13.490 19.095 548 HB3 ASP 76 HB1 ASP 76 14.080 12.756 18.400 549 H LEU 77 HN LEU 77 16.469 14.170 18.426 550 HA LEU 77 HA LEU 77 18.204 12.432 19.830 551 HB2 LEU 77 HB2 LEU 77 18.841 14.541 17.761 552 HB3 LEU 77 HB1 LEU 77 19.946 13.291 18.299 553 HG LEU 77 HG LEU 77 17.344 12.813 16.842 554 HD11 LEU 77 HD11 LEU 77 20.199 12.589 15.903 555 HD12 LEU 77 HD12 LEU 77 19.035 13.818 15.408 556 HD13 LEU 77 HD13 LEU 77 18.770 12.128 14.980 557 HD21 LEU 77 HD21 LEU 77 18.117 10.494 16.692 558 HD22 LEU 77 HD22 LEU 77 17.885 10.995 18.368 559 HD23 LEU 77 HD23 LEU 77 19.512 10.896 17.694 560 H LYS 78 HN LYS 78 17.521 15.820 20.075 561 HA LYS 78 HA LYS 78 19.834 16.641 21.482 562 HB2 LYS 78 HB2 LYS 78 17.011 17.721 21.551 563 HB3 LYS 78 HB1 LYS 78 18.384 18.503 22.317 564 HG2 LYS 78 HG2 LYS 78 19.449 18.738 20.108 565 HG3 LYS 78 HG1 LYS 78 18.011 18.023 19.369 566 HD2 LYS 78 HD2 LYS 78 16.640 19.836 20.217 567 HD3 LYS 78 HD1 LYS 78 18.031 20.527 21.055 568 HE2 LYS 78 HE2 LYS 78 17.694 21.774 19.054 569 HE3 LYS 78 HE1 LYS 78 19.140 20.789 18.838 570 HZ1 LYS 78 HZ1 LYS 78 17.757 19.183 17.615 571 HZ2 LYS 78 HZ2 LYS 78 17.813 20.705 16.867 572 HZ3 LYS 78 HZ3 LYS 78 16.431 20.237 17.743 573 H GLY 79 HN GLY 79 16.806 15.171 22.472 574 HA2 GLY 79 HA2 GLY 79 16.184 14.190 24.456 575 HA3 GLY 79 HA1 GLY 79 17.847 14.366 25.003 576 H SER 80 HN SER 80 18.265 15.835 26.513 577 HA SER 80 HA SER 80 16.732 18.265 26.721 578 HB2 SER 80 HB2 SER 80 16.744 16.255 28.991 579 HB3 SER 80 HB1 SER 80 16.175 17.919 29.124 580 HG SER 80 HG SER 80 15.040 16.597 27.022 581 H1 VAL 1 HT1 VAL 1 19.333 -3.360 -11.257 582 H2 VAL 1 HT2 VAL 1 20.193 -2.479 -12.424 583 H3 VAL 1 HT3 VAL 1 20.451 -4.144 -12.256 584 HA VAL 1 HA VAL 1 19.075 -3.592 -14.197 585 HB VAL 1 HB VAL 1 17.649 -5.133 -12.009 586 HG11 VAL 1 HG11 VAL 1 16.152 -4.624 -13.866 587 HG12 VAL 1 HG12 VAL 1 16.547 -6.343 -13.831 588 HG13 VAL 1 HG13 VAL 1 17.326 -5.282 -15.006 589 HG21 VAL 1 HG21 VAL 1 18.718 -7.109 -13.002 590 HG22 VAL 1 HG22 VAL 1 19.900 -5.961 -12.374 591 HG23 VAL 1 HG23 VAL 1 19.604 -6.060 -14.109 592 H ALA 2 HN ALA 2 17.128 -2.705 -15.006 593 HA ALA 2 HA ALA 2 16.194 -0.435 -13.539 594 HB1 ALA 2 HB1 ALA 2 16.443 -0.391 -15.976 595 HB2 ALA 2 HB2 ALA 2 14.801 0.016 -15.477 596 HB3 ALA 2 HB3 ALA 2 15.155 -1.587 -16.125 597 H SER 3 HN SER 3 15.281 -1.350 -11.666 598 HA SER 3 HA SER 3 12.882 -2.939 -11.867 599 HB2 SER 3 HB2 SER 3 14.050 -1.485 -9.476 600 HB3 SER 3 HB1 SER 3 12.820 -2.751 -9.434 601 HG SER 3 HG SER 3 14.301 -4.235 -9.755 602 H LYS 4 HN LYS 4 10.862 -2.060 -10.653 603 HA LYS 4 HA LYS 4 10.313 0.536 -11.875 604 HB2 LYS 4 HB2 LYS 4 8.783 -1.330 -12.355 605 HB3 LYS 4 HB1 LYS 4 8.406 -1.456 -10.641 606 HG2 LYS 4 HG2 LYS 4 7.325 0.647 -10.628 607 HG3 LYS 4 HG1 LYS 4 7.933 1.045 -12.237 608 HD2 LYS 4 HD2 LYS 4 6.604 -0.839 -13.151 609 HD3 LYS 4 HD1 LYS 4 5.932 -1.103 -11.540 610 HE2 LYS 4 HE2 LYS 4 4.928 1.081 -11.543 611 HE3 LYS 4 HE1 LYS 4 5.722 1.489 -13.063 612 HZ1 LYS 4 HZ1 LYS 4 3.651 -0.606 -12.680 613 HZ2 LYS 4 HZ2 LYS 4 4.436 -0.263 -14.144 614 HZ3 LYS 4 HZ3 LYS 4 3.426 0.897 -13.431 615 H ALA 5 HN ALA 5 10.183 2.337 -10.782 616 HA ALA 5 HA ALA 5 9.676 2.232 -7.882 617 HB1 ALA 5 HB1 ALA 5 11.150 4.165 -7.608 618 HB2 ALA 5 HB2 ALA 5 11.510 4.141 -9.334 619 HB3 ALA 5 HB3 ALA 5 12.020 2.800 -8.309 620 H ILE 6 HN ILE 6 7.788 3.142 -7.430 621 HA ILE 6 HA ILE 6 6.688 5.098 -9.334 622 HB ILE 6 HB ILE 6 5.190 3.522 -7.232 623 HG12 ILE 6 HG12 ILE 6 5.381 3.025 -10.215 624 HG13 ILE 6 HG11 ILE 6 6.179 2.059 -8.978 625 HG21 ILE 6 HG21 ILE 6 4.229 5.170 -9.570 626 HG22 ILE 6 HG22 ILE 6 4.105 5.607 -7.866 627 HG23 ILE 6 HG23 ILE 6 3.203 4.224 -8.490 628 HD11 ILE 6 HD11 ILE 6 4.166 0.973 -9.788 629 HD12 ILE 6 HD12 ILE 6 3.206 2.378 -9.321 630 HD13 ILE 6 HD13 ILE 6 4.005 1.405 -8.085 631 H PHE 7 HN PHE 7 6.431 7.144 -8.733 632 HA PHE 7 HA PHE 7 6.874 7.807 -5.904 633 HB2 PHE 7 HB2 PHE 7 8.461 8.804 -7.523 634 HB3 PHE 7 HB1 PHE 7 7.113 9.585 -8.343 635 HD1 PHE 7 HD1 PHE 7 8.847 9.388 -5.070 636 HD2 PHE 7 HD2 PHE 7 6.379 11.685 -7.666 637 HE1 PHE 7 HE1 PHE 7 9.045 11.312 -3.550 638 HE2 PHE 7 HE2 PHE 7 6.575 13.613 -6.150 639 HZ PHE 7 HZ PHE 7 7.909 13.427 -4.090 640 H TYR 8 HN TYR 8 5.265 8.629 -4.739 641 HA TYR 8 HA TYR 8 2.820 9.471 -6.160 642 HB2 TYR 8 HB2 TYR 8 3.120 8.304 -3.381 643 HB3 TYR 8 HB1 TYR 8 1.608 8.868 -4.078 644 HD1 TYR 8 HD2 TYR 8 0.597 7.633 -5.983 645 HD2 TYR 8 HD1 TYR 8 3.996 6.153 -3.901 646 HE1 TYR 8 HE2 TYR 8 0.174 5.391 -6.900 647 HE2 TYR 8 HE1 TYR 8 3.584 3.907 -4.811 648 HH TYR 8 HH TYR 8 1.415 3.320 -7.352 649 H HIS 9 HN HIS 9 2.104 11.514 -5.843 650 HA HIS 9 HA HIS 9 2.725 12.859 -3.354 651 HB2 HIS 9 HB2 HIS 9 3.692 14.834 -4.328 652 HB3 HIS 9 HB1 HIS 9 4.633 13.438 -4.831 653 HD2 HIS 9 HD2 HIS 9 4.649 12.909 -7.537 654 HE1 HIS 9 HE1 HIS 9 2.526 16.409 -8.590 655 HE2 HIS 9 HE2 HIS 9 4.179 14.665 -9.388 656 H ALA 10 HN ALA 10 1.721 15.269 -3.594 657 HA ALA 10 HA ALA 10 -0.995 14.807 -4.636 658 HB1 ALA 10 HB1 ALA 10 -0.919 14.347 -2.233 659 HB2 ALA 10 HB2 ALA 10 -1.935 15.741 -2.603 660 HB3 ALA 10 HB3 ALA 10 -0.316 15.979 -1.945 661 H GLY 11 HN GLY 11 1.519 16.637 -5.232 662 HA2 GLY 11 HA2 GLY 11 1.473 18.523 -6.615 663 HA3 GLY 11 HA1 GLY 11 -0.181 18.826 -6.113 664 H CYS 12 HN CYS 12 1.494 18.344 -3.329 665 HA CYS 12 HA CYS 12 1.437 21.021 -2.489 666 HB2 CYS 12 HB2 CYS 12 3.152 18.792 -1.366 667 HB3 CYS 12 HB1 CYS 12 2.647 20.253 -0.525 668 HG CYS 12 HG CYS 12 1.007 18.575 0.682 669 HA PRO 13 HA PRO 13 5.155 22.977 -3.944 670 HB2 PRO 13 HB2 PRO 13 6.284 23.799 -1.518 671 HB3 PRO 13 HB1 PRO 13 5.133 24.718 -2.492 672 HG2 PRO 13 HG2 PRO 13 4.657 23.021 -0.090 673 HG3 PRO 13 HG1 PRO 13 3.863 24.529 -0.579 674 HD2 PRO 13 HD2 PRO 13 2.650 22.159 -0.866 675 HD3 PRO 13 HD1 PRO 13 2.456 23.444 -2.078 676 H VAL 14 HN VAL 14 5.546 20.919 -1.094 677 HA VAL 14 HA VAL 14 8.285 20.358 -1.379 678 HB VAL 14 HB VAL 14 6.155 18.568 -0.189 679 HG11 VAL 14 HG11 VAL 14 9.129 18.676 0.307 680 HG12 VAL 14 HG12 VAL 14 8.265 17.411 -0.567 681 HG13 VAL 14 HG13 VAL 14 7.976 17.646 1.158 682 HG21 VAL 14 HG21 VAL 14 6.072 20.783 0.809 683 HG22 VAL 14 HG22 VAL 14 7.808 20.725 1.120 684 HG23 VAL 14 HG23 VAL 14 6.725 19.611 1.956 685 H CYS 15 HN CYS 15 5.441 19.040 -2.917 686 HA CYS 15 HA CYS 15 6.566 16.621 -3.857 687 HB2 CYS 15 HB2 CYS 15 4.301 18.209 -5.079 688 HB3 CYS 15 HB1 CYS 15 4.632 16.495 -5.313 689 HG CYS 15 HG CYS 15 4.386 16.772 -2.141 690 H VAL 16 HN VAL 16 6.213 19.838 -5.289 691 HA VAL 16 HA VAL 16 7.178 19.274 -7.847 692 HB VAL 16 HB VAL 16 7.548 21.856 -6.313 693 HG11 VAL 16 HG11 VAL 16 7.578 22.905 -8.529 694 HG12 VAL 16 HG12 VAL 16 7.476 21.312 -9.279 695 HG13 VAL 16 HG13 VAL 16 8.898 21.753 -8.334 696 HG21 VAL 16 HG21 VAL 16 5.247 20.969 -8.053 697 HG22 VAL 16 HG22 VAL 16 5.442 22.570 -7.338 698 HG23 VAL 16 HG23 VAL 16 5.211 21.163 -6.300 699 H SER 17 HN SER 17 8.907 20.304 -4.928 700 HA SER 17 HA SER 17 11.479 20.357 -6.082 701 HB2 SER 17 HB2 SER 17 10.893 21.439 -3.916 702 HB3 SER 17 HB1 SER 17 10.740 19.842 -3.188 703 HG SER 17 HG SER 17 13.062 21.122 -4.180 704 H ALA 18 HN ALA 18 9.658 17.835 -4.392 705 HA ALA 18 HA ALA 18 11.698 15.908 -4.305 706 HB1 ALA 18 HB1 ALA 18 8.721 15.466 -4.422 707 HB2 ALA 18 HB2 ALA 18 9.662 15.766 -2.961 708 HB3 ALA 18 HB3 ALA 18 9.928 14.294 -3.895 709 H GLU 19 HN GLU 19 9.288 16.650 -6.792 710 HA GLU 19 HA GLU 19 9.865 14.460 -8.479 711 HB2 GLU 19 HB2 GLU 19 8.824 17.210 -9.184 712 HB3 GLU 19 HB1 GLU 19 8.851 15.839 -10.282 713 HG2 GLU 19 HG2 GLU 19 7.349 14.627 -8.751 714 HG3 GLU 19 HG1 GLU 19 7.277 16.062 -7.728 715 H GLN 20 HN GLN 20 11.029 17.824 -8.542 716 HA GLN 20 HA GLN 20 12.653 17.367 -10.836 717 HB2 GLN 20 HB2 GLN 20 12.590 19.670 -8.889 718 HB3 GLN 20 HB1 GLN 20 13.520 19.654 -10.384 719 HG2 GLN 20 HG2 GLN 20 10.528 19.485 -10.120 720 HG3 GLN 20 HG1 GLN 20 11.466 20.851 -10.724 721 HE21 GLN 20 HE21 GLN 20 9.356 19.213 -11.985 722 HE22 GLN 20 HE22 GLN 20 10.059 18.637 -13.459 723 H ALA 21 HN ALA 21 13.215 17.051 -7.431 724 HA ALA 21 HA ALA 21 16.100 16.876 -7.885 725 HB1 ALA 21 HB1 ALA 21 15.350 18.244 -6.003 726 HB2 ALA 21 HB2 ALA 21 16.329 16.878 -5.465 727 HB3 ALA 21 HB3 ALA 21 14.575 16.832 -5.286 728 H VAL 22 HN VAL 22 13.778 14.976 -5.925 729 HA VAL 22 HA VAL 22 15.530 12.738 -5.841 730 HB VAL 22 HB VAL 22 12.599 12.902 -5.120 731 HG11 VAL 22 HG11 VAL 22 13.274 10.597 -5.538 732 HG12 VAL 22 HG12 VAL 22 12.997 10.865 -3.817 733 HG13 VAL 22 HG13 VAL 22 14.644 10.788 -4.443 734 HG21 VAL 22 HG21 VAL 22 13.986 14.414 -3.810 735 HG22 VAL 22 HG22 VAL 22 15.073 13.084 -3.406 736 HG23 VAL 22 HG23 VAL 22 13.410 13.075 -2.818 737 H ALA 23 HN ALA 23 12.469 13.318 -7.571 738 HA ALA 23 HA ALA 23 12.457 10.728 -8.773 739 HB1 ALA 23 HB1 ALA 23 10.396 11.974 -8.360 740 HB2 ALA 23 HB2 ALA 23 10.558 11.533 -10.061 741 HB3 ALA 23 HB3 ALA 23 10.890 13.186 -9.542 742 H ASN 24 HN ASN 24 14.277 13.459 -9.423 743 HA ASN 24 HA ASN 24 14.755 12.565 -12.184 744 HB2 ASN 24 HB2 ASN 24 14.980 15.230 -10.866 745 HB3 ASN 24 HB1 ASN 24 16.098 14.856 -12.175 746 HD21 ASN 24 HD21 ASN 24 12.740 15.298 -11.310 747 HD22 ASN 24 HD22 ASN 24 12.163 15.522 -12.926 748 H ALA 25 HN ALA 25 15.987 12.467 -9.074 749 HA ALA 25 HA ALA 25 18.779 12.358 -9.721 750 HB1 ALA 25 HB1 ALA 25 17.318 11.361 -7.272 751 HB2 ALA 25 HB2 ALA 25 18.033 12.963 -7.468 752 HB3 ALA 25 HB3 ALA 25 19.066 11.533 -7.435 753 H ILE 26 HN ILE 26 16.212 10.016 -9.080 754 HA ILE 26 HA ILE 26 17.828 7.773 -9.878 755 HB ILE 26 HB ILE 26 14.815 7.945 -9.631 756 HG12 ILE 26 HG12 ILE 26 16.879 7.004 -7.624 757 HG13 ILE 26 HG11 ILE 26 15.958 8.500 -7.517 758 HG21 ILE 26 HG21 ILE 26 14.930 5.500 -9.436 759 HG22 ILE 26 HG22 ILE 26 16.671 5.567 -9.710 760 HG23 ILE 26 HG23 ILE 26 15.558 6.064 -10.984 761 HD11 ILE 26 HD11 ILE 26 13.894 7.210 -7.335 762 HD12 ILE 26 HD12 ILE 26 15.040 6.799 -6.058 763 HD13 ILE 26 HD13 ILE 26 14.824 5.716 -7.434 764 H ASP 27 HN ASP 27 18.377 7.442 -11.921 765 HA ASP 27 HA ASP 27 17.288 9.077 -13.987 766 HB2 ASP 27 HB2 ASP 27 19.705 8.273 -13.756 767 HB3 ASP 27 HB1 ASP 27 19.138 6.735 -14.400 768 HA PRO 28 HA PRO 28 14.012 6.434 -15.410 769 HB2 PRO 28 HB2 PRO 28 14.519 7.719 -18.029 770 HB3 PRO 28 HB1 PRO 28 13.036 7.663 -17.071 771 HG2 PRO 28 HG2 PRO 28 14.462 9.909 -17.258 772 HG3 PRO 28 HG1 PRO 28 13.672 9.449 -15.738 773 HD2 PRO 28 HD2 PRO 28 16.551 9.210 -16.526 774 HD3 PRO 28 HD1 PRO 28 15.844 9.702 -14.973 775 H SER 29 HN SER 29 17.163 6.589 -16.898 776 HA SER 29 HA SER 29 16.649 4.122 -18.388 777 HB2 SER 29 HB2 SER 29 19.120 5.870 -18.330 778 HB3 SER 29 HB1 SER 29 18.836 4.508 -19.414 779 HG SER 29 HG SER 29 17.973 7.081 -19.596 780 H LYS 30 HN LYS 30 17.375 4.892 -15.345 781 HA LYS 30 HA LYS 30 19.238 2.648 -14.958 782 HB2 LYS 30 HB2 LYS 30 19.858 4.890 -14.007 783 HB3 LYS 30 HB1 LYS 30 18.441 4.789 -12.973 784 HG2 LYS 30 HG2 LYS 30 19.388 2.690 -12.009 785 HG3 LYS 30 HG1 LYS 30 20.859 2.999 -12.935 786 HD2 LYS 30 HD2 LYS 30 21.093 5.172 -11.798 787 HD3 LYS 30 HD1 LYS 30 19.652 4.812 -10.844 788 HE2 LYS 30 HE2 LYS 30 21.543 4.293 -9.495 789 HE3 LYS 30 HE1 LYS 30 20.827 2.765 -10.007 790 HZ1 LYS 30 HZ1 LYS 30 23.166 2.596 -10.251 791 HZ2 LYS 30 HZ2 LYS 30 23.261 4.067 -11.089 792 HZ3 LYS 30 HZ3 LYS 30 22.523 2.720 -11.813 793 H TYR 31 HN TYR 31 16.197 4.071 -13.865 794 HA TYR 31 HA TYR 31 15.200 1.388 -13.264 795 HB2 TYR 31 HB2 TYR 31 15.019 3.753 -11.380 796 HB3 TYR 31 HB1 TYR 31 14.035 2.303 -11.223 797 HD1 TYR 31 HD1 TYR 31 15.181 0.102 -10.774 798 HD2 TYR 31 HD2 TYR 31 17.221 3.827 -10.533 799 HE1 TYR 31 HE1 TYR 31 16.953 -0.960 -9.441 800 HE2 TYR 31 HE2 TYR 31 18.999 2.773 -9.205 801 HH TYR 31 HH TYR 31 19.302 0.817 -7.751 802 H THR 32 HN THR 32 12.815 1.355 -13.164 803 HA THR 32 HA THR 32 11.699 3.126 -15.176 804 HB THR 32 HB THR 32 10.314 0.891 -13.677 805 HG1 THR 32 HG1 THR 32 11.729 -0.283 -14.765 806 HG21 THR 32 HG21 THR 32 9.707 2.217 -16.324 807 HG22 THR 32 HG22 THR 32 8.806 2.441 -14.824 808 HG23 THR 32 HG23 THR 32 8.816 0.867 -15.620 809 H VAL 33 HN VAL 33 11.387 5.113 -14.264 810 HA VAL 33 HA VAL 33 10.094 5.271 -11.643 811 HB VAL 33 HB VAL 33 11.338 7.500 -13.262 812 HG11 VAL 33 HG11 VAL 33 9.691 8.288 -11.655 813 HG12 VAL 33 HG12 VAL 33 11.319 8.732 -11.141 814 HG13 VAL 33 HG13 VAL 33 10.489 7.381 -10.370 815 HG21 VAL 33 HG21 VAL 33 12.502 5.896 -10.988 816 HG22 VAL 33 HG22 VAL 33 13.244 7.315 -11.729 817 HG23 VAL 33 HG23 VAL 33 13.017 5.843 -12.675 818 H GLU 34 HN GLU 34 7.971 5.484 -11.593 819 HA GLU 34 HA GLU 34 6.681 7.144 -13.658 820 HB2 GLU 34 HB2 GLU 34 5.647 4.681 -12.257 821 HB3 GLU 34 HB1 GLU 34 4.580 5.810 -13.083 822 HG2 GLU 34 HG2 GLU 34 5.815 5.420 -15.170 823 HG3 GLU 34 HG1 GLU 34 6.831 4.248 -14.331 824 H ILE 35 HN ILE 35 5.949 8.992 -12.904 825 HA ILE 35 HA ILE 35 5.554 9.319 -10.026 826 HB ILE 35 HB ILE 35 5.552 11.419 -12.202 827 HG12 ILE 35 HG12 ILE 35 7.748 10.678 -10.253 828 HG13 ILE 35 HG11 ILE 35 7.734 10.249 -11.960 829 HG21 ILE 35 HG21 ILE 35 4.317 12.101 -10.225 830 HG22 ILE 35 HG22 ILE 35 5.829 13.000 -10.345 831 HG23 ILE 35 HG23 ILE 35 5.684 11.666 -9.200 832 HD11 ILE 35 HD11 ILE 35 7.798 12.608 -12.559 833 HD12 ILE 35 HD12 ILE 35 9.163 12.167 -11.532 834 HD13 ILE 35 HD13 ILE 35 7.793 13.045 -10.850 835 H VAL 36 HN VAL 36 3.580 9.255 -9.169 836 HA VAL 36 HA VAL 36 1.272 9.617 -10.969 837 HB VAL 36 HB VAL 36 1.396 8.029 -8.397 838 HG11 VAL 36 HG11 VAL 36 -0.817 8.316 -10.426 839 HG12 VAL 36 HG12 VAL 36 -0.811 8.980 -8.794 840 HG13 VAL 36 HG13 VAL 36 -0.834 7.233 -9.035 841 HG21 VAL 36 HG21 VAL 36 2.657 6.944 -10.176 842 HG22 VAL 36 HG22 VAL 36 1.275 7.091 -11.263 843 HG23 VAL 36 HG23 VAL 36 1.170 6.056 -9.838 844 H HIS 37 HN HIS 37 0.156 11.400 -10.670 845 HA HIS 37 HA HIS 37 0.410 12.969 -8.251 846 HB2 HIS 37 HB2 HIS 37 0.251 13.858 -10.675 847 HB3 HIS 37 HB1 HIS 37 -1.470 13.523 -10.545 848 HD2 HIS 37 HD2 HIS 37 0.914 16.322 -9.947 849 HE1 HIS 37 HE1 HIS 37 -2.449 17.133 -7.518 850 HE2 HIS 37 HE2 HIS 37 -0.418 18.135 -8.661 851 H LEU 38 HN LEU 38 -0.737 12.315 -6.526 852 HA LEU 38 HA LEU 38 -3.125 10.733 -6.851 853 HB2 LEU 38 HB2 LEU 38 -1.797 11.806 -4.362 854 HB3 LEU 38 HB1 LEU 38 -3.145 10.686 -4.377 855 HG LEU 38 HG LEU 38 -0.371 10.140 -5.441 856 HD11 LEU 38 HD11 LEU 38 -0.252 8.530 -3.609 857 HD12 LEU 38 HD12 LEU 38 -1.842 9.048 -3.047 858 HD13 LEU 38 HD13 LEU 38 -0.484 10.173 -3.010 859 HD21 LEU 38 HD21 LEU 38 -1.186 7.841 -5.755 860 HD22 LEU 38 HD22 LEU 38 -2.032 8.996 -6.785 861 HD23 LEU 38 HD23 LEU 38 -2.813 8.374 -5.332 862 H GLY 39 HN GLY 39 -2.383 14.058 -6.336 863 HA2 GLY 39 HA2 GLY 39 -4.988 14.716 -5.245 864 HA3 GLY 39 HA1 GLY 39 -3.705 15.849 -5.643 865 H THR 40 HN THR 40 -5.334 13.415 -7.628 866 HA THR 40 HA THR 40 -6.523 15.528 -9.264 867 HB THR 40 HB THR 40 -4.824 13.302 -10.421 868 HG1 THR 40 HG1 THR 40 -3.613 15.081 -9.544 869 HG21 THR 40 HG21 THR 40 -6.336 15.529 -11.792 870 HG22 THR 40 HG22 THR 40 -6.751 13.816 -11.834 871 HG23 THR 40 HG23 THR 40 -5.256 14.379 -12.583 872 H ASP 41 HN ASP 41 -6.129 12.003 -8.922 873 HA ASP 41 HA ASP 41 -8.992 11.709 -9.557 874 HB2 ASP 41 HB2 ASP 41 -7.424 10.693 -11.218 875 HB3 ASP 41 HB1 ASP 41 -6.799 9.657 -9.942 876 H LYS 42 HN LYS 42 -10.263 10.699 -8.101 877 HA LYS 42 HA LYS 42 -9.272 10.511 -5.443 878 HB2 LYS 42 HB2 LYS 42 -11.944 9.766 -6.629 879 HB3 LYS 42 HB1 LYS 42 -11.592 9.738 -4.908 880 HG2 LYS 42 HG2 LYS 42 -11.445 12.171 -6.677 881 HG3 LYS 42 HG1 LYS 42 -12.770 11.774 -5.581 882 HD2 LYS 42 HD2 LYS 42 -11.209 11.861 -3.685 883 HD3 LYS 42 HD1 LYS 42 -9.903 12.293 -4.790 884 HE2 LYS 42 HE2 LYS 42 -10.763 14.275 -3.688 885 HE3 LYS 42 HE1 LYS 42 -11.124 14.331 -5.412 886 HZ1 LYS 42 HZ1 LYS 42 -12.989 15.007 -3.938 887 HZ2 LYS 42 HZ2 LYS 42 -13.063 13.417 -3.355 888 HZ3 LYS 42 HZ3 LYS 42 -13.375 13.737 -4.992 889 H ALA 43 HN ALA 43 -9.708 8.152 -7.966 890 HA ALA 43 HA ALA 43 -9.885 5.899 -6.186 891 HB1 ALA 43 HB1 ALA 43 -9.697 4.539 -8.193 892 HB2 ALA 43 HB2 ALA 43 -9.263 5.966 -9.136 893 HB3 ALA 43 HB3 ALA 43 -10.872 5.833 -8.426 894 H ARG 44 HN ARG 44 -7.367 7.782 -7.550 895 HA ARG 44 HA ARG 44 -5.237 5.936 -7.552 896 HB2 ARG 44 HB2 ARG 44 -5.123 8.913 -7.022 897 HB3 ARG 44 HB1 ARG 44 -3.776 7.898 -7.510 898 HG2 ARG 44 HG2 ARG 44 -6.106 7.856 -9.302 899 HG3 ARG 44 HG1 ARG 44 -5.248 9.392 -9.196 900 HD2 ARG 44 HD2 ARG 44 -4.257 8.219 -10.980 901 HD3 ARG 44 HD1 ARG 44 -3.128 8.091 -9.635 902 HE ARG 44 HE ARG 44 -4.568 5.814 -9.406 903 HH11 ARG 44 HH11 ARG 44 -2.951 7.323 -12.134 904 HH12 ARG 44 HH12 ARG 44 -2.607 5.819 -12.923 905 HH21 ARG 44 HH21 ARG 44 -4.079 3.834 -10.427 906 HH22 ARG 44 HH22 ARG 44 -3.217 3.833 -11.942 907 H ILE 45 HN ILE 45 -6.720 7.839 -5.033 908 HA ILE 45 HA ILE 45 -4.725 7.710 -3.069 909 HB ILE 45 HB ILE 45 -7.721 7.786 -2.665 910 HG12 ILE 45 HG12 ILE 45 -5.742 10.070 -2.832 911 HG13 ILE 45 HG11 ILE 45 -6.826 9.592 -4.134 912 HG21 ILE 45 HG21 ILE 45 -7.187 8.826 -0.507 913 HG22 ILE 45 HG22 ILE 45 -5.469 8.587 -0.823 914 HG23 ILE 45 HG23 ILE 45 -6.531 7.193 -0.625 915 HD11 ILE 45 HD11 ILE 45 -7.680 11.516 -2.927 916 HD12 ILE 45 HD12 ILE 45 -7.663 10.595 -1.422 917 HD13 ILE 45 HD13 ILE 45 -8.747 10.126 -2.732 918 H ALA 46 HN ALA 46 -7.506 5.584 -3.668 919 HA ALA 46 HA ALA 46 -7.067 3.824 -1.525 920 HB1 ALA 46 HB1 ALA 46 -8.404 3.257 -4.168 921 HB2 ALA 46 HB2 ALA 46 -9.183 3.950 -2.747 922 HB3 ALA 46 HB3 ALA 46 -8.563 2.299 -2.695 923 H GLU 47 HN GLU 47 -5.842 3.867 -4.821 924 HA GLU 47 HA GLU 47 -4.670 1.307 -4.850 925 HB2 GLU 47 HB2 GLU 47 -3.827 3.814 -6.321 926 HB3 GLU 47 HB1 GLU 47 -3.306 2.180 -6.711 927 HG2 GLU 47 HG2 GLU 47 -5.546 1.552 -7.307 928 HG3 GLU 47 HG1 GLU 47 -6.164 3.115 -6.774 929 H ALA 48 HN ALA 48 -3.423 4.481 -3.936 930 HA ALA 48 HA ALA 48 -0.768 3.671 -3.445 931 HB1 ALA 48 HB1 ALA 48 -2.270 6.006 -2.272 932 HB2 ALA 48 HB2 ALA 48 -1.407 6.002 -3.811 933 HB3 ALA 48 HB3 ALA 48 -0.518 5.802 -2.300 934 H GLU 49 HN GLU 49 -3.565 4.033 -1.264 935 HA GLU 49 HA GLU 49 -2.191 3.473 1.115 936 HB2 GLU 49 HB2 GLU 49 -5.089 2.952 0.438 937 HB3 GLU 49 HB1 GLU 49 -4.408 2.871 2.057 938 HG2 GLU 49 HG2 GLU 49 -3.670 5.294 1.642 939 HG3 GLU 49 HG1 GLU 49 -4.825 5.263 0.310 940 H LYS 50 HN LYS 50 -3.746 1.317 -1.210 941 HA LYS 50 HA LYS 50 -3.403 -1.062 0.297 942 HB2 LYS 50 HB2 LYS 50 -3.765 -0.617 -2.669 943 HB3 LYS 50 HB1 LYS 50 -3.762 -2.204 -1.910 944 HG2 LYS 50 HG2 LYS 50 -5.720 -1.636 -0.620 945 HG3 LYS 50 HG1 LYS 50 -5.694 0.010 -1.255 946 HD2 LYS 50 HD2 LYS 50 -6.068 -0.846 -3.509 947 HD3 LYS 50 HD1 LYS 50 -6.068 -2.498 -2.888 948 HE2 LYS 50 HE2 LYS 50 -8.029 -1.986 -1.524 949 HE3 LYS 50 HE1 LYS 50 -8.025 -0.331 -2.133 950 HZ1 LYS 50 HZ1 LYS 50 -8.290 -2.717 -3.879 951 HZ2 LYS 50 HZ2 LYS 50 -8.544 -1.093 -4.304 952 HZ3 LYS 50 HZ3 LYS 50 -9.619 -1.869 -3.248 953 H ALA 51 HN ALA 51 -1.322 0.730 -1.851 954 HA ALA 51 HA ALA 51 0.603 -1.369 -2.194 955 HB1 ALA 51 HB1 ALA 51 0.339 0.408 -3.854 956 HB2 ALA 51 HB2 ALA 51 1.989 0.342 -3.236 957 HB3 ALA 51 HB3 ALA 51 0.885 1.596 -2.670 958 H GLY 52 HN GLY 52 -0.165 0.650 0.371 959 HA2 GLY 52 HA2 GLY 52 0.929 0.266 2.488 960 HA3 GLY 52 HA1 GLY 52 2.447 0.096 1.619 961 H VAL 53 HN VAL 53 0.828 2.589 0.210 962 HA VAL 53 HA VAL 53 2.596 4.535 1.363 963 HB VAL 53 HB VAL 53 0.333 4.924 -0.608 964 HG11 VAL 53 HG11 VAL 53 0.948 7.001 0.506 965 HG12 VAL 53 HG12 VAL 53 1.460 7.018 -1.182 966 HG13 VAL 53 HG13 VAL 53 2.642 6.731 0.095 967 HG21 VAL 53 HG21 VAL 53 2.012 3.386 -1.462 968 HG22 VAL 53 HG22 VAL 53 3.288 4.540 -1.078 969 HG23 VAL 53 HG23 VAL 53 2.093 4.927 -2.316 970 H LYS 54 HN LYS 54 2.187 5.278 3.332 971 HA LYS 54 HA LYS 54 -0.590 5.740 4.137 972 HB2 LYS 54 HB2 LYS 54 1.953 5.486 5.741 973 HB3 LYS 54 HB1 LYS 54 0.410 5.955 6.444 974 HG2 LYS 54 HG2 LYS 54 -0.570 3.847 5.813 975 HG3 LYS 54 HG1 LYS 54 0.906 3.378 4.968 976 HD2 LYS 54 HD2 LYS 54 2.133 3.340 7.046 977 HD3 LYS 54 HD1 LYS 54 0.730 3.954 7.923 978 HE2 LYS 54 HE2 LYS 54 1.022 1.525 8.199 979 HE3 LYS 54 HE1 LYS 54 -0.509 1.937 7.431 980 HZ1 LYS 54 HZ1 LYS 54 0.454 1.383 5.285 981 HZ2 LYS 54 HZ2 LYS 54 0.560 0.062 6.342 982 HZ3 LYS 54 HZ3 LYS 54 1.936 0.997 6.020 983 H SER 55 HN SER 55 2.175 7.408 3.097 984 HA SER 55 HA SER 55 0.737 9.903 3.583 985 HB2 SER 55 HB2 SER 55 3.678 9.512 4.204 986 HB3 SER 55 HB1 SER 55 2.810 11.047 4.276 987 HG SER 55 HG SER 55 1.548 9.115 5.702 988 H VAL 56 HN VAL 56 0.991 11.434 1.966 989 HA VAL 56 HA VAL 56 2.185 10.542 -0.489 990 HB VAL 56 HB VAL 56 1.541 12.821 -1.355 991 HG11 VAL 56 HG11 VAL 56 -0.857 12.313 -1.396 992 HG12 VAL 56 HG12 VAL 56 -0.622 11.136 -0.103 993 HG13 VAL 56 HG13 VAL 56 0.127 10.877 -1.679 994 HG21 VAL 56 HG21 VAL 56 -0.027 14.135 -0.017 995 HG22 VAL 56 HG22 VAL 56 1.563 14.044 0.741 996 HG23 VAL 56 HG23 VAL 56 0.237 13.051 1.349 997 HA PRO 57 HA PRO 57 5.401 12.464 -2.252 998 HB2 PRO 57 HB2 PRO 57 6.217 13.842 0.294 999 HB3 PRO 57 HB1 PRO 57 6.840 14.083 -1.349 1000 HG2 PRO 57 HG2 PRO 57 4.699 15.497 -0.223 1001 HG3 PRO 57 HG1 PRO 57 5.053 15.377 -1.955 1002 HD2 PRO 57 HD2 PRO 57 2.748 14.373 -0.681 1003 HD3 PRO 57 HD1 PRO 57 3.319 13.892 -2.300 1004 H ALA 58 HN ALA 58 5.483 10.289 -2.236 1005 HA ALA 58 HA ALA 58 7.428 9.111 -0.407 1006 HB1 ALA 58 HB1 ALA 58 4.738 7.860 -0.957 1007 HB2 ALA 58 HB2 ALA 58 5.254 8.566 0.576 1008 HB3 ALA 58 HB3 ALA 58 6.057 7.124 -0.045 1009 H LEU 59 HN LEU 59 8.495 7.286 -1.286 1010 HA LEU 59 HA LEU 59 8.100 6.912 -4.188 1011 HB2 LEU 59 HB2 LEU 59 10.095 8.236 -3.735 1012 HB3 LEU 59 HB1 LEU 59 10.670 7.028 -2.605 1013 HG LEU 59 HG LEU 59 10.848 5.421 -4.514 1014 HD11 LEU 59 HD11 LEU 59 9.266 6.476 -6.032 1015 HD12 LEU 59 HD12 LEU 59 10.856 6.330 -6.781 1016 HD13 LEU 59 HD13 LEU 59 10.314 7.888 -6.159 1017 HD21 LEU 59 HD21 LEU 59 12.895 6.417 -5.406 1018 HD22 LEU 59 HD22 LEU 59 12.785 6.618 -3.658 1019 HD23 LEU 59 HD23 LEU 59 12.432 7.976 -4.727 1020 H VAL 60 HN VAL 60 7.536 4.880 -4.667 1021 HA VAL 60 HA VAL 60 8.212 2.747 -2.756 1022 HB VAL 60 HB VAL 60 6.158 2.702 -4.977 1023 HG11 VAL 60 HG11 VAL 60 7.008 0.488 -4.434 1024 HG12 VAL 60 HG12 VAL 60 5.346 0.668 -3.872 1025 HG13 VAL 60 HG13 VAL 60 6.680 0.766 -2.723 1026 HG21 VAL 60 HG21 VAL 60 4.493 2.867 -3.182 1027 HG22 VAL 60 HG22 VAL 60 5.529 4.291 -3.247 1028 HG23 VAL 60 HG23 VAL 60 5.791 3.067 -2.005 1029 H ILE 61 HN ILE 61 10.086 1.830 -3.284 1030 HA ILE 61 HA ILE 61 10.763 1.454 -6.118 1031 HB ILE 61 HB ILE 61 12.536 1.130 -3.687 1032 HG12 ILE 61 HG12 ILE 61 12.397 3.412 -5.675 1033 HG13 ILE 61 HG11 ILE 61 11.771 3.468 -4.030 1034 HG21 ILE 61 HG21 ILE 61 13.191 1.209 -6.633 1035 HG22 ILE 61 HG22 ILE 61 13.278 -0.202 -5.578 1036 HG23 ILE 61 HG23 ILE 61 14.372 1.157 -5.325 1037 HD11 ILE 61 HD11 ILE 61 14.654 3.092 -4.809 1038 HD12 ILE 61 HD12 ILE 61 14.028 3.150 -3.161 1039 HD13 ILE 61 HD13 ILE 61 13.924 4.575 -4.195 1040 H ASP 62 HN ASP 62 9.897 -0.409 -6.829 1041 HA ASP 62 HA ASP 62 9.589 -2.637 -7.149 1042 HB2 ASP 62 HB2 ASP 62 12.099 -2.534 -7.008 1043 HB3 ASP 62 HB1 ASP 62 11.970 -2.981 -5.312 1044 H GLY 63 HN GLY 63 8.384 -1.265 -4.770 1045 HA2 GLY 63 HA2 GLY 63 6.584 -2.442 -3.588 1046 HA3 GLY 63 HA1 GLY 63 7.749 -3.711 -3.239 1047 H ALA 64 HN ALA 64 9.829 -1.599 -2.704 1048 HA ALA 64 HA ALA 64 9.205 -1.331 0.110 1049 HB1 ALA 64 HB1 ALA 64 11.682 -0.534 -1.417 1050 HB2 ALA 64 HB2 ALA 64 11.434 -2.064 -0.578 1051 HB3 ALA 64 HB3 ALA 64 11.510 -0.558 0.337 1052 H ALA 65 HN ALA 65 8.083 0.336 0.823 1053 HA ALA 65 HA ALA 65 7.922 2.757 -0.789 1054 HB1 ALA 65 HB1 ALA 65 5.847 1.705 -0.044 1055 HB2 ALA 65 HB2 ALA 65 6.017 3.333 0.612 1056 HB3 ALA 65 HB3 ALA 65 6.333 1.933 1.636 1057 H PHE 66 HN PHE 66 9.396 4.254 -0.417 1058 HA PHE 66 HA PHE 66 10.098 4.887 2.377 1059 HB2 PHE 66 HB2 PHE 66 11.655 5.559 -0.133 1060 HB3 PHE 66 HB1 PHE 66 12.157 5.880 1.521 1061 HD1 PHE 66 HD1 PHE 66 12.595 3.901 3.043 1062 HD2 PHE 66 HD2 PHE 66 12.155 3.544 -1.174 1063 HE1 PHE 66 HE1 PHE 66 13.741 1.724 3.112 1064 HE2 PHE 66 HE2 PHE 66 13.295 1.366 -1.113 1065 HZ PHE 66 HZ PHE 66 14.089 0.454 1.030 1066 H HIS 67 HN HIS 67 8.916 6.577 3.059 1067 HA HIS 67 HA HIS 67 7.683 8.440 1.322 1068 HB2 HIS 67 HB2 HIS 67 8.238 8.609 4.295 1069 HB3 HIS 67 HB1 HIS 67 7.219 9.735 3.406 1070 HD1 HIS 67 HD1 HIS 67 7.195 6.359 4.962 1071 HD2 HIS 67 HD2 HIS 67 4.770 8.650 2.482 1072 HE1 HIS 67 HE1 HIS 67 4.924 5.240 4.955 1073 H ILE 68 HN ILE 68 8.381 10.320 0.491 1074 HA ILE 68 HA ILE 68 11.217 10.917 0.874 1075 HB ILE 68 HB ILE 68 9.315 11.857 -1.281 1076 HG12 ILE 68 HG12 ILE 68 9.830 9.477 -1.459 1077 HG13 ILE 68 HG11 ILE 68 10.624 10.370 -2.749 1078 HG21 ILE 68 HG21 ILE 68 11.052 13.509 -0.857 1079 HG22 ILE 68 HG22 ILE 68 11.315 12.715 -2.410 1080 HG23 ILE 68 HG23 ILE 68 12.292 12.264 -1.013 1081 HD11 ILE 68 HD11 ILE 68 12.731 10.270 -1.517 1082 HD12 ILE 68 HD12 ILE 68 12.082 8.661 -1.831 1083 HD13 ILE 68 HD13 ILE 68 11.931 9.375 -0.225 1084 H ASN 69 HN ASN 69 11.356 12.125 2.635 1085 HA ASN 69 HA ASN 69 11.292 13.924 3.997 1086 HB2 ASN 69 HB2 ASN 69 11.225 15.073 1.517 1087 HB3 ASN 69 HB1 ASN 69 9.731 15.689 2.219 1088 HD21 ASN 69 HD21 ASN 69 12.085 17.164 1.520 1089 HD22 ASN 69 HD22 ASN 69 12.683 17.891 2.970 1090 H PHE 70 HN PHE 70 9.429 15.704 4.733 1091 HA PHE 70 HA PHE 70 7.164 14.000 5.384 1092 HB2 PHE 70 HB2 PHE 70 8.309 15.332 7.170 1093 HB3 PHE 70 HB1 PHE 70 7.756 16.800 6.371 1094 HD1 PHE 70 HD2 PHE 70 6.599 13.718 8.058 1095 HD2 PHE 70 HD1 PHE 70 5.597 17.643 6.754 1096 HE1 PHE 70 HE2 PHE 70 4.487 13.591 9.313 1097 HE2 PHE 70 HE1 PHE 70 3.482 17.523 8.005 1098 HZ PHE 70 HZ PHE 70 2.924 15.495 9.287 1099 H GLY 71 HN GLY 71 5.988 13.912 3.481 1100 HA2 GLY 71 HA2 GLY 71 5.184 16.354 2.175 1101 HA3 GLY 71 HA1 GLY 71 4.682 14.719 1.755 1102 H ALA 72 HN ALA 72 2.772 13.965 2.457 1103 HA ALA 72 HA ALA 72 1.468 15.413 4.652 1104 HB1 ALA 72 HB1 ALA 72 0.037 15.003 2.033 1105 HB2 ALA 72 HB2 ALA 72 0.660 16.541 2.626 1106 HB3 ALA 72 HB3 ALA 72 -0.634 15.719 3.497 1107 H GLY 73 HN GLY 73 -0.327 14.227 5.631 1108 HA2 GLY 73 HA2 GLY 73 0.004 11.369 5.457 1109 HA3 GLY 73 HA1 GLY 73 -1.189 12.225 6.431 1110 H ILE 74 HN ILE 74 -1.003 10.044 4.031 1111 HA ILE 74 HA ILE 74 -2.646 11.154 2.002 1112 HB ILE 74 HB ILE 74 -1.161 9.114 1.750 1113 HG12 ILE 74 HG12 ILE 74 -4.036 8.828 0.847 1114 HG13 ILE 74 HG11 ILE 74 -2.817 9.817 0.050 1115 HG21 ILE 74 HG21 ILE 74 -1.870 7.893 3.726 1116 HG22 ILE 74 HG22 ILE 74 -2.158 6.933 2.275 1117 HG23 ILE 74 HG23 ILE 74 -3.502 7.748 3.073 1118 HD11 ILE 74 HD11 ILE 74 -3.144 7.713 -1.109 1119 HD12 ILE 74 HD12 ILE 74 -2.737 6.826 0.360 1120 HD13 ILE 74 HD13 ILE 74 -1.515 7.814 -0.439 1121 H ASP 75 HN ASP 75 -3.320 9.886 5.089 1122 HA ASP 75 HA ASP 75 -6.001 9.064 4.680 1123 HB2 ASP 75 HB2 ASP 75 -4.572 8.387 6.613 1124 HB3 ASP 75 HB1 ASP 75 -4.716 10.027 7.241 1125 H ASP 76 HN ASP 76 -4.471 12.123 5.092 1126 HA ASP 76 HA ASP 76 -6.664 13.629 6.061 1127 HB2 ASP 76 HB2 ASP 76 -4.287 14.394 6.078 1128 HB3 ASP 76 HB1 ASP 76 -4.371 14.583 4.330 1129 H LEU 77 HN LEU 77 -5.867 12.339 2.978 1130 HA LEU 77 HA LEU 77 -7.357 14.148 1.371 1131 HB2 LEU 77 HB2 LEU 77 -6.491 11.312 0.803 1132 HB3 LEU 77 HB1 LEU 77 -7.109 12.441 -0.388 1133 HG LEU 77 HG LEU 77 -4.542 12.768 1.171 1134 HD11 LEU 77 HD11 LEU 77 -3.453 12.394 -0.986 1135 HD12 LEU 77 HD12 LEU 77 -5.024 12.081 -1.724 1136 HD13 LEU 77 HD13 LEU 77 -4.400 10.993 -0.485 1137 HD21 LEU 77 HD21 LEU 77 -5.720 14.444 -1.042 1138 HD22 LEU 77 HD22 LEU 77 -4.128 14.663 -0.314 1139 HD23 LEU 77 HD23 LEU 77 -5.582 14.912 0.653 1140 H LYS 78 HN LYS 78 -8.338 11.803 3.565 1141 HA LYS 78 HA LYS 78 -10.854 11.218 2.214 1142 HB2 LYS 78 HB2 LYS 78 -10.002 10.481 5.019 1143 HB3 LYS 78 HB1 LYS 78 -11.371 9.830 4.134 1144 HG2 LYS 78 HG2 LYS 78 -9.780 8.847 2.504 1145 HG3 LYS 78 HG1 LYS 78 -8.455 9.399 3.534 1146 HD2 LYS 78 HD2 LYS 78 -9.479 8.104 5.411 1147 HD3 LYS 78 HD1 LYS 78 -10.634 7.444 4.255 1148 HE2 LYS 78 HE2 LYS 78 -8.881 5.851 4.523 1149 HE3 LYS 78 HE1 LYS 78 -8.700 6.587 2.932 1150 HZ1 LYS 78 HZ1 LYS 78 -6.575 6.392 4.061 1151 HZ2 LYS 78 HZ2 LYS 78 -7.158 7.322 5.364 1152 HZ3 LYS 78 HZ3 LYS 78 -6.983 8.021 3.831 1153 H GLY 79 HN GLY 79 -9.594 13.732 3.912 1154 HA2 GLY 79 HA2 GLY 79 -10.616 15.637 4.731 1155 HA3 GLY 79 HA1 GLY 79 -12.177 14.871 4.472 1156 H SER 80 HN SER 80 -13.197 13.894 6.136 1157 HA SER 80 HA SER 80 -11.755 13.262 8.570 1158 HB2 SER 80 HB2 SER 80 -13.508 14.563 9.923 1159 HB3 SER 80 HB1 SER 80 -12.252 15.509 9.125 1160 HG SER 80 HG SER 80 -14.952 15.154 8.363 Start of MODEL 4 1 H1 VAL 1 HT1 VAL 1 27.284 16.713 -14.678 2 H2 VAL 1 HT2 VAL 1 26.465 18.147 -15.062 3 H3 VAL 1 HT3 VAL 1 25.703 16.963 -14.117 4 HA VAL 1 HA VAL 1 28.105 18.516 -13.339 5 HB VAL 1 HB VAL 1 25.288 18.680 -12.238 6 HG11 VAL 1 HG11 VAL 1 27.760 20.289 -11.605 7 HG12 VAL 1 HG12 VAL 1 27.000 19.092 -10.556 8 HG13 VAL 1 HG13 VAL 1 26.147 20.583 -10.956 9 HG21 VAL 1 HG21 VAL 1 25.394 19.691 -14.446 10 HG22 VAL 1 HG22 VAL 1 26.802 20.637 -13.963 11 HG23 VAL 1 HG23 VAL 1 25.238 20.937 -13.206 12 H ALA 2 HN ALA 2 29.359 17.245 -12.148 13 HA ALA 2 HA ALA 2 28.221 14.990 -10.722 14 HB1 ALA 2 HB1 ALA 2 30.518 14.359 -10.246 15 HB2 ALA 2 HB2 ALA 2 31.095 15.887 -10.913 16 HB3 ALA 2 HB3 ALA 2 30.316 14.704 -11.965 17 H SER 3 HN SER 3 26.966 16.293 -9.263 18 HA SER 3 HA SER 3 28.436 17.637 -7.145 19 HB2 SER 3 HB2 SER 3 25.470 17.059 -7.400 20 HB3 SER 3 HB1 SER 3 26.222 18.122 -6.212 21 HG SER 3 HG SER 3 25.331 19.225 -8.051 22 H LYS 4 HN LYS 4 27.239 16.908 -4.840 23 HA LYS 4 HA LYS 4 27.468 13.978 -4.816 24 HB2 LYS 4 HB2 LYS 4 28.624 14.033 -2.707 25 HB3 LYS 4 HB1 LYS 4 29.501 15.004 -3.877 26 HG2 LYS 4 HG2 LYS 4 28.672 17.035 -2.874 27 HG3 LYS 4 HG1 LYS 4 27.667 16.104 -1.757 28 HD2 LYS 4 HD2 LYS 4 29.703 15.055 -0.848 29 HD3 LYS 4 HD1 LYS 4 30.679 16.062 -1.919 30 HE2 LYS 4 HE2 LYS 4 29.896 18.058 -0.818 31 HE3 LYS 4 HE1 LYS 4 28.789 17.112 0.180 32 HZ1 LYS 4 HZ1 LYS 4 30.702 15.995 1.162 33 HZ2 LYS 4 HZ2 LYS 4 30.780 17.674 1.404 34 HZ3 LYS 4 HZ3 LYS 4 31.753 16.941 0.228 35 H ALA 5 HN ALA 5 26.509 12.995 -2.858 36 HA ALA 5 HA ALA 5 24.145 14.477 -1.930 37 HB1 ALA 5 HB1 ALA 5 23.480 12.966 -3.744 38 HB2 ALA 5 HB2 ALA 5 22.791 12.467 -2.200 39 HB3 ALA 5 HB3 ALA 5 24.180 11.607 -2.865 40 H ILE 6 HN ILE 6 24.307 14.643 0.208 41 HA ILE 6 HA ILE 6 25.959 12.698 1.641 42 HB ILE 6 HB ILE 6 24.811 15.261 2.744 43 HG12 ILE 6 HG12 ILE 6 27.548 14.820 1.523 44 HG13 ILE 6 HG11 ILE 6 26.233 15.691 0.741 45 HG21 ILE 6 HG21 ILE 6 27.112 13.513 3.610 46 HG22 ILE 6 HG22 ILE 6 25.540 13.631 4.399 47 HG23 ILE 6 HG23 ILE 6 26.624 15.023 4.381 48 HD11 ILE 6 HD11 ILE 6 26.272 17.347 2.538 49 HD12 ILE 6 HD12 ILE 6 27.833 17.221 1.726 50 HD13 ILE 6 HD13 ILE 6 27.598 16.475 3.306 51 H PHE 7 HN PHE 7 25.055 11.122 2.743 52 HA PHE 7 HA PHE 7 22.181 11.275 3.312 53 HB2 PHE 7 HB2 PHE 7 23.116 9.426 1.863 54 HB3 PHE 7 HB1 PHE 7 23.956 8.828 3.286 55 HD1 PHE 7 HD1 PHE 7 20.568 9.615 1.988 56 HD2 PHE 7 HD2 PHE 7 22.907 7.352 4.728 57 HE1 PHE 7 HE1 PHE 7 18.582 8.291 2.586 58 HE2 PHE 7 HE2 PHE 7 20.927 6.028 5.332 59 HZ PHE 7 HZ PHE 7 18.763 6.493 4.260 60 H TYR 8 HN TYR 8 21.922 12.126 5.286 61 HA TYR 8 HA TYR 8 23.720 11.356 7.464 62 HB2 TYR 8 HB2 TYR 8 21.590 13.480 7.215 63 HB3 TYR 8 HB1 TYR 8 22.370 13.099 8.743 64 HD1 TYR 8 HD2 TYR 8 25.029 13.124 8.614 65 HD2 TYR 8 HD1 TYR 8 22.441 15.230 5.977 66 HE1 TYR 8 HE2 TYR 8 26.845 14.697 8.102 67 HE2 TYR 8 HE1 TYR 8 24.252 16.813 5.458 68 HH TYR 8 HH TYR 8 27.477 16.238 6.259 69 H HIS 9 HN HIS 9 23.173 9.820 8.890 70 HA HIS 9 HA HIS 9 20.452 9.689 9.834 71 HB2 HIS 9 HB2 HIS 9 20.104 7.324 9.439 72 HB3 HIS 9 HB1 HIS 9 20.367 8.154 7.915 73 HD2 HIS 9 HD2 HIS 9 22.811 7.553 6.637 74 HE1 HIS 9 HE1 HIS 9 23.455 4.102 8.992 75 HE2 HIS 9 HE2 HIS 9 23.882 5.193 6.744 76 H ALA 10 HN ALA 10 20.412 7.596 11.446 77 HA ALA 10 HA ALA 10 22.769 8.007 13.164 78 HB1 ALA 10 HB1 ALA 10 21.297 8.018 15.101 79 HB2 ALA 10 HB2 ALA 10 19.894 7.810 14.053 80 HB3 ALA 10 HB3 ALA 10 20.847 9.292 13.966 81 H GLY 11 HN GLY 11 21.795 5.769 11.282 82 HA2 GLY 11 HA2 GLY 11 22.383 3.515 11.335 83 HA3 GLY 11 HA1 GLY 11 22.595 3.635 13.074 84 H CYS 12 HN CYS 12 19.855 4.153 10.862 85 HA CYS 12 HA CYS 12 18.284 2.343 12.573 86 HB2 CYS 12 HB2 CYS 12 17.270 4.596 10.821 87 HB3 CYS 12 HB1 CYS 12 16.298 3.590 11.890 88 HG CYS 12 HG CYS 12 18.411 4.686 13.932 89 HA PRO 13 HA PRO 13 17.909 -0.527 9.258 90 HB2 PRO 13 HB2 PRO 13 15.250 -1.250 9.576 91 HB3 PRO 13 HB1 PRO 13 16.606 -1.933 10.479 92 HG2 PRO 13 HG2 PRO 13 14.689 0.219 11.269 93 HG3 PRO 13 HG1 PRO 13 15.370 -1.094 12.249 94 HD2 PRO 13 HD2 PRO 13 16.292 1.411 12.449 95 HD3 PRO 13 HD1 PRO 13 17.388 0.016 12.554 96 H VAL 14 HN VAL 14 15.301 1.840 9.586 97 HA VAL 14 HA VAL 14 14.274 1.706 6.981 98 HB VAL 14 HB VAL 14 14.430 4.145 8.767 99 HG11 VAL 14 HG11 VAL 14 12.462 4.910 7.530 100 HG12 VAL 14 HG12 VAL 14 12.565 3.491 6.489 101 HG13 VAL 14 HG13 VAL 14 13.854 4.696 6.468 102 HG21 VAL 14 HG21 VAL 14 13.391 2.276 9.931 103 HG22 VAL 14 HG22 VAL 14 12.291 2.025 8.576 104 HG23 VAL 14 HG23 VAL 14 12.191 3.505 9.530 105 H CYS 15 HN CYS 15 16.962 3.512 8.356 106 HA CYS 15 HA CYS 15 17.548 5.075 6.071 107 HB2 CYS 15 HB2 CYS 15 19.513 4.186 8.185 108 HB3 CYS 15 HB1 CYS 15 19.582 5.641 7.194 109 HG CYS 15 HG CYS 15 17.761 7.073 8.520 110 H VAL 16 HN VAL 16 18.831 2.015 7.317 111 HA VAL 16 HA VAL 16 20.745 1.520 5.349 112 HB VAL 16 HB VAL 16 19.072 -0.524 6.828 113 HG11 VAL 16 HG11 VAL 16 20.953 -2.043 6.441 114 HG12 VAL 16 HG12 VAL 16 21.760 -0.798 5.488 115 HG13 VAL 16 HG13 VAL 16 20.240 -1.494 4.924 116 HG21 VAL 16 HG21 VAL 16 21.720 0.721 7.559 117 HG22 VAL 16 HG22 VAL 16 20.932 -0.596 8.427 118 HG23 VAL 16 HG23 VAL 16 20.178 0.998 8.368 119 H SER 17 HN SER 17 17.283 0.880 5.403 120 HA SER 17 HA SER 17 17.117 -0.631 3.038 121 HB2 SER 17 HB2 SER 17 15.049 1.251 4.203 122 HB3 SER 17 HB1 SER 17 14.741 -0.044 3.046 123 HG SER 17 HG SER 17 15.866 -0.464 5.621 124 H ALA 18 HN ALA 18 17.122 2.840 3.640 125 HA ALA 18 HA ALA 18 16.542 3.592 0.953 126 HB1 ALA 18 HB1 ALA 18 16.102 5.081 2.844 127 HB2 ALA 18 HB2 ALA 18 17.156 5.841 1.651 128 HB3 ALA 18 HB3 ALA 18 17.834 5.204 3.150 129 H GLU 19 HN GLU 19 19.477 2.922 2.753 130 HA GLU 19 HA GLU 19 21.315 3.974 0.881 131 HB2 GLU 19 HB2 GLU 19 21.723 1.660 2.789 132 HB3 GLU 19 HB1 GLU 19 22.988 2.605 2.017 133 HG2 GLU 19 HG2 GLU 19 22.227 4.593 3.231 134 HG3 GLU 19 HG1 GLU 19 20.988 3.622 4.023 135 H GLN 20 HN GLN 20 19.763 0.826 1.213 136 HA GLN 20 HA GLN 20 21.322 -0.373 -0.881 137 HB2 GLN 20 HB2 GLN 20 18.790 -1.372 0.427 138 HB3 GLN 20 HB1 GLN 20 19.889 -2.320 -0.567 139 HG2 GLN 20 HG2 GLN 20 21.668 -1.927 1.097 140 HG3 GLN 20 HG1 GLN 20 20.493 -1.088 2.108 141 HE21 GLN 20 HE21 GLN 20 22.038 -3.454 2.684 142 HE22 GLN 20 HE22 GLN 20 20.905 -4.713 3.041 143 H ALA 21 HN ALA 21 18.270 1.297 -0.684 144 HA ALA 21 HA ALA 21 17.608 0.464 -3.414 145 HB1 ALA 21 HB1 ALA 21 15.384 1.332 -2.986 146 HB2 ALA 21 HB2 ALA 21 15.904 1.934 -1.412 147 HB3 ALA 21 HB3 ALA 21 15.862 0.199 -1.723 148 H VAL 22 HN VAL 22 17.214 3.524 -1.611 149 HA VAL 22 HA VAL 22 17.046 5.060 -3.978 150 HB VAL 22 HB VAL 22 17.703 6.103 -1.221 151 HG11 VAL 22 HG11 VAL 22 16.616 8.147 -2.004 152 HG12 VAL 22 HG12 VAL 22 16.346 7.405 -3.581 153 HG13 VAL 22 HG13 VAL 22 17.990 7.723 -3.026 154 HG21 VAL 22 HG21 VAL 22 15.734 4.687 -1.083 155 HG22 VAL 22 HG22 VAL 22 15.002 5.541 -2.441 156 HG23 VAL 22 HG23 VAL 22 15.280 6.384 -0.917 157 H ALA 23 HN ALA 23 19.665 4.649 -1.603 158 HA ALA 23 HA ALA 23 21.424 6.469 -2.916 159 HB1 ALA 23 HB1 ALA 23 23.117 5.666 -1.365 160 HB2 ALA 23 HB2 ALA 23 22.070 4.325 -0.900 161 HB3 ALA 23 HB3 ALA 23 21.598 5.983 -0.526 162 H ASN 24 HN ASN 24 20.512 3.295 -3.633 163 HA ASN 24 HA ASN 24 22.945 2.865 -5.215 164 HB2 ASN 24 HB2 ASN 24 20.989 1.051 -3.959 165 HB3 ASN 24 HB1 ASN 24 21.522 0.576 -5.570 166 HD21 ASN 24 HD21 ASN 24 22.523 1.200 -2.281 167 HD22 ASN 24 HD22 ASN 24 24.055 0.404 -2.402 168 H ALA 25 HN ALA 25 19.832 4.028 -5.472 169 HA ALA 25 HA ALA 25 19.486 3.362 -8.271 170 HB1 ALA 25 HB1 ALA 25 17.510 3.625 -6.859 171 HB2 ALA 25 HB2 ALA 25 17.520 4.826 -8.149 172 HB3 ALA 25 HB3 ALA 25 17.970 5.291 -6.509 173 H ILE 26 HN ILE 26 20.397 6.116 -6.268 174 HA ILE 26 HA ILE 26 21.115 7.785 -8.490 175 HB ILE 26 HB ILE 26 21.976 7.982 -5.593 176 HG12 ILE 26 HG12 ILE 26 19.718 9.393 -7.034 177 HG13 ILE 26 HG11 ILE 26 19.515 8.064 -5.897 178 HG21 ILE 26 HG21 ILE 26 23.436 9.229 -7.083 179 HG22 ILE 26 HG22 ILE 26 22.447 10.333 -6.129 180 HG23 ILE 26 HG23 ILE 26 22.041 10.021 -7.816 181 HD11 ILE 26 HD11 ILE 26 20.449 9.439 -4.118 182 HD12 ILE 26 HD12 ILE 26 19.045 10.208 -4.858 183 HD13 ILE 26 HD13 ILE 26 20.670 10.767 -5.256 184 H ASP 27 HN ASP 27 22.834 7.441 -9.731 185 HA ASP 27 HA ASP 27 24.663 5.349 -9.128 186 HB2 ASP 27 HB2 ASP 27 23.801 6.123 -11.434 187 HB3 ASP 27 HB1 ASP 27 25.055 7.357 -11.333 188 HA PRO 28 HA PRO 28 27.571 7.528 -6.650 189 HB2 PRO 28 HB2 PRO 28 29.544 5.627 -7.791 190 HB3 PRO 28 HB1 PRO 28 29.131 5.948 -6.104 191 HG2 PRO 28 HG2 PRO 28 28.305 3.720 -7.293 192 HG3 PRO 28 HG1 PRO 28 27.247 4.595 -6.169 193 HD2 PRO 28 HD2 PRO 28 27.203 4.541 -9.162 194 HD3 PRO 28 HD1 PRO 28 25.848 4.515 -8.014 195 H SER 29 HN SER 29 28.558 6.764 -9.998 196 HA SER 29 HA SER 29 30.516 8.900 -9.937 197 HB2 SER 29 HB2 SER 29 30.685 8.190 -12.457 198 HB3 SER 29 HB1 SER 29 31.339 7.142 -11.199 199 HG SER 29 HG SER 29 28.835 6.890 -12.521 200 H LYS 30 HN LYS 30 27.283 8.824 -10.219 201 HA LYS 30 HA LYS 30 27.112 11.092 -12.062 202 HB2 LYS 30 HB2 LYS 30 25.396 9.300 -12.197 203 HB3 LYS 30 HB1 LYS 30 24.937 9.636 -10.534 204 HG2 LYS 30 HG2 LYS 30 24.346 11.954 -11.256 205 HG3 LYS 30 HG1 LYS 30 24.618 11.436 -12.921 206 HD2 LYS 30 HD2 LYS 30 22.915 9.679 -12.624 207 HD3 LYS 30 HD1 LYS 30 22.619 10.266 -10.986 208 HE2 LYS 30 HE2 LYS 30 20.930 11.200 -12.361 209 HE3 LYS 30 HE1 LYS 30 22.066 12.498 -12.001 210 HZ1 LYS 30 HZ1 LYS 30 21.917 10.926 -14.514 211 HZ2 LYS 30 HZ2 LYS 30 23.095 12.098 -14.180 212 HZ3 LYS 30 HZ3 LYS 30 21.466 12.547 -14.312 213 H TYR 31 HN TYR 31 26.140 10.203 -8.767 214 HA TYR 31 HA TYR 31 27.010 12.843 -7.836 215 HB2 TYR 31 HB2 TYR 31 24.407 11.507 -7.041 216 HB3 TYR 31 HB1 TYR 31 25.080 12.938 -6.272 217 HD1 TYR 31 HD1 TYR 31 25.643 14.903 -8.017 218 HD2 TYR 31 HD2 TYR 31 22.762 11.831 -8.613 219 HE1 TYR 31 HE1 TYR 31 24.466 16.329 -9.639 220 HE2 TYR 31 HE2 TYR 31 21.584 13.246 -10.239 221 HH TYR 31 HH TYR 31 21.377 15.801 -10.638 222 H THR 32 HN THR 32 28.449 12.587 -6.263 223 HA THR 32 HA THR 32 29.081 9.993 -5.277 224 HB THR 32 HB THR 32 30.105 12.669 -4.308 225 HG1 THR 32 HG1 THR 32 30.761 11.030 -6.518 226 HG21 THR 32 HG21 THR 32 30.621 10.805 -2.800 227 HG22 THR 32 HG22 THR 32 32.076 11.385 -3.611 228 HG23 THR 32 HG23 THR 32 31.300 9.895 -4.149 229 H VAL 33 HN VAL 33 27.813 9.003 -3.837 230 HA VAL 33 HA VAL 33 26.283 10.487 -1.891 231 HB VAL 33 HB VAL 33 26.550 7.491 -2.209 232 HG11 VAL 33 HG11 VAL 33 25.726 8.140 -0.016 233 HG12 VAL 33 HG12 VAL 33 24.439 7.400 -0.968 234 HG13 VAL 33 HG13 VAL 33 24.489 9.151 -0.762 235 HG21 VAL 33 HG21 VAL 33 24.459 9.364 -3.321 236 HG22 VAL 33 HG22 VAL 33 24.429 7.603 -3.428 237 HG23 VAL 33 HG23 VAL 33 25.693 8.515 -4.252 238 H GLU 34 HN GLU 34 26.968 11.001 0.074 239 HA GLU 34 HA GLU 34 29.214 9.478 1.228 240 HB2 GLU 34 HB2 GLU 34 28.329 12.284 1.934 241 HB3 GLU 34 HB1 GLU 34 29.743 11.447 2.558 242 HG2 GLU 34 HG2 GLU 34 30.533 11.343 0.135 243 HG3 GLU 34 HG1 GLU 34 29.275 12.534 -0.194 244 H ILE 35 HN ILE 35 28.601 8.103 2.755 245 HA ILE 35 HA ILE 35 26.059 8.451 4.126 246 HB ILE 35 HB ILE 35 28.090 6.227 4.397 247 HG12 ILE 35 HG12 ILE 35 27.198 6.369 2.106 248 HG13 ILE 35 HG11 ILE 35 26.626 4.921 2.928 249 HG21 ILE 35 HG21 ILE 35 25.211 6.380 5.277 250 HG22 ILE 35 HG22 ILE 35 26.627 6.404 6.328 251 HG23 ILE 35 HG23 ILE 35 26.247 4.958 5.394 252 HD11 ILE 35 HD11 ILE 35 24.859 5.942 1.630 253 HD12 ILE 35 HD12 ILE 35 25.065 7.458 2.509 254 HD13 ILE 35 HD13 ILE 35 24.486 6.021 3.352 255 H VAL 36 HN VAL 36 25.939 9.543 6.005 256 HA VAL 36 HA VAL 36 28.356 9.614 7.697 257 HB VAL 36 HB VAL 36 26.360 11.861 7.378 258 HG11 VAL 36 HG11 VAL 36 27.386 11.780 9.588 259 HG12 VAL 36 HG12 VAL 36 27.973 13.168 8.673 260 HG13 VAL 36 HG13 VAL 36 28.989 11.737 8.855 261 HG21 VAL 36 HG21 VAL 36 29.168 11.609 6.299 262 HG22 VAL 36 HG22 VAL 36 28.163 13.056 6.219 263 HG23 VAL 36 HG23 VAL 36 27.681 11.600 5.350 264 H HIS 37 HN HIS 37 28.110 8.886 9.678 265 HA HIS 37 HA HIS 37 25.427 8.318 10.683 266 HB2 HIS 37 HB2 HIS 37 27.277 6.566 10.601 267 HB3 HIS 37 HB1 HIS 37 28.064 7.469 11.889 268 HD2 HIS 37 HD2 HIS 37 25.274 4.905 11.352 269 HE1 HIS 37 HE1 HIS 37 25.333 5.932 15.454 270 HE2 HIS 37 HE2 HIS 37 24.598 4.201 13.760 271 H LEU 38 HN LEU 38 24.551 9.943 11.809 272 HA LEU 38 HA LEU 38 26.204 11.905 13.146 273 HB2 LEU 38 HB2 LEU 38 23.208 11.627 12.934 274 HB3 LEU 38 HB1 LEU 38 24.026 12.977 13.696 275 HG LEU 38 HG LEU 38 24.236 12.222 10.779 276 HD11 LEU 38 HD11 LEU 38 22.970 14.277 10.393 277 HD12 LEU 38 HD12 LEU 38 22.810 14.508 12.135 278 HD13 LEU 38 HD13 LEU 38 22.047 13.122 11.355 279 HD21 LEU 38 HD21 LEU 38 25.359 14.583 12.289 280 HD22 LEU 38 HD22 LEU 38 25.434 14.340 10.543 281 HD23 LEU 38 HD23 LEU 38 26.289 13.240 11.623 282 H GLY 39 HN GLY 39 24.897 8.950 14.023 283 HA2 GLY 39 HA2 GLY 39 24.171 9.595 16.731 284 HA3 GLY 39 HA1 GLY 39 24.316 7.983 16.046 285 H THR 40 HN THR 40 27.086 8.746 15.098 286 HA THR 40 HA THR 40 28.411 7.963 17.574 287 HB THR 40 HB THR 40 29.566 8.096 14.777 288 HG1 THR 40 HG1 THR 40 27.873 6.589 14.822 289 HG21 THR 40 HG21 THR 40 30.499 6.633 17.254 290 HG22 THR 40 HG22 THR 40 31.258 8.064 16.553 291 HG23 THR 40 HG23 THR 40 31.247 6.544 15.659 292 H ASP 41 HN ASP 41 27.877 10.784 15.762 293 HA ASP 41 HA ASP 41 30.013 12.136 17.242 294 HB2 ASP 41 HB2 ASP 41 30.743 11.642 14.866 295 HB3 ASP 41 HB1 ASP 41 29.472 12.743 14.337 296 H LYS 42 HN LYS 42 29.080 13.626 18.445 297 HA LYS 42 HA LYS 42 26.436 14.597 17.714 298 HB2 LYS 42 HB2 LYS 42 28.042 14.884 20.256 299 HB3 LYS 42 HB1 LYS 42 26.431 15.553 20.022 300 HG2 LYS 42 HG2 LYS 42 25.594 13.263 19.592 301 HG3 LYS 42 HG1 LYS 42 27.201 12.644 19.975 302 HD2 LYS 42 HD2 LYS 42 27.041 13.535 22.223 303 HD3 LYS 42 HD1 LYS 42 25.471 14.255 21.849 304 HE2 LYS 42 HE2 LYS 42 24.551 12.026 21.440 305 HE3 LYS 42 HE1 LYS 42 26.118 11.309 21.815 306 HZ1 LYS 42 HZ1 LYS 42 24.628 11.187 23.698 307 HZ2 LYS 42 HZ2 LYS 42 24.430 12.870 23.695 308 HZ3 LYS 42 HZ3 LYS 42 25.941 12.197 24.060 309 H ALA 43 HN ALA 43 29.614 15.595 17.352 310 HA ALA 43 HA ALA 43 29.178 18.422 17.585 311 HB1 ALA 43 HB1 ALA 43 31.372 18.652 16.545 312 HB2 ALA 43 HB2 ALA 43 31.378 16.933 16.150 313 HB3 ALA 43 HB3 ALA 43 31.418 17.450 17.835 314 H ARG 44 HN ARG 44 29.142 16.033 14.998 315 HA ARG 44 HA ARG 44 28.685 17.862 12.874 316 HB2 ARG 44 HB2 ARG 44 28.004 14.926 13.091 317 HB3 ARG 44 HB1 ARG 44 27.919 15.865 11.609 318 HG2 ARG 44 HG2 ARG 44 30.343 16.306 11.796 319 HG3 ARG 44 HG1 ARG 44 30.391 15.254 13.212 320 HD2 ARG 44 HD2 ARG 44 29.500 13.414 11.816 321 HD3 ARG 44 HD1 ARG 44 29.591 14.474 10.411 322 HE ARG 44 HE ARG 44 32.003 13.808 11.978 323 HH11 ARG 44 HH11 ARG 44 30.278 13.964 8.935 324 HH12 ARG 44 HH12 ARG 44 31.612 13.369 7.994 325 HH21 ARG 44 HH21 ARG 44 33.773 13.065 10.747 326 HH22 ARG 44 HH22 ARG 44 33.623 12.910 9.021 327 H ILE 45 HN ILE 45 26.671 16.652 15.361 328 HA ILE 45 HA ILE 45 24.145 16.838 14.162 329 HB ILE 45 HB ILE 45 24.967 17.339 17.027 330 HG12 ILE 45 HG12 ILE 45 23.694 14.961 15.654 331 HG13 ILE 45 HG11 ILE 45 25.355 15.058 16.230 332 HG21 ILE 45 HG21 ILE 45 22.874 18.502 16.577 333 HG22 ILE 45 HG22 ILE 45 22.599 17.100 17.610 334 HG23 ILE 45 HG23 ILE 45 22.187 17.027 15.898 335 HD11 ILE 45 HD11 ILE 45 22.883 15.147 17.944 336 HD12 ILE 45 HD12 ILE 45 24.545 15.247 18.524 337 HD13 ILE 45 HD13 ILE 45 23.970 13.772 17.748 338 H ALA 46 HN ALA 46 26.161 19.286 15.738 339 HA ALA 46 HA ALA 46 24.347 21.426 15.566 340 HB1 ALA 46 HB1 ALA 46 27.364 21.510 15.529 341 HB2 ALA 46 HB2 ALA 46 26.347 21.499 16.970 342 HB3 ALA 46 HB3 ALA 46 26.295 22.872 15.865 343 H GLU 47 HN GLU 47 26.748 20.174 13.318 344 HA GLU 47 HA GLU 47 26.486 22.171 11.343 345 HB2 GLU 47 HB2 GLU 47 27.259 19.263 11.050 346 HB3 GLU 47 HB1 GLU 47 27.481 20.498 9.819 347 HG2 GLU 47 HG2 GLU 47 28.998 21.703 11.315 348 HG3 GLU 47 HG1 GLU 47 28.785 20.444 12.531 349 H ALA 48 HN ALA 48 24.865 19.068 11.850 350 HA ALA 48 HA ALA 48 23.281 19.091 9.526 351 HB1 ALA 48 HB1 ALA 48 21.922 17.412 10.645 352 HB2 ALA 48 HB2 ALA 48 22.675 17.810 12.189 353 HB3 ALA 48 HB3 ALA 48 23.637 17.090 10.898 354 H GLU 49 HN GLU 49 22.701 20.329 12.788 355 HA GLU 49 HA GLU 49 20.063 21.172 12.462 356 HB2 GLU 49 HB2 GLU 49 22.283 22.336 14.147 357 HB3 GLU 49 HB1 GLU 49 20.602 22.835 14.265 358 HG2 GLU 49 HG2 GLU 49 19.993 20.515 14.852 359 HG3 GLU 49 HG1 GLU 49 21.705 20.093 14.831 360 H LYS 50 HN LYS 50 23.086 22.963 11.900 361 HA LYS 50 HA LYS 50 21.792 25.329 11.015 362 HB2 LYS 50 HB2 LYS 50 24.610 24.371 10.486 363 HB3 LYS 50 HB1 LYS 50 24.020 26.002 10.201 364 HG2 LYS 50 HG2 LYS 50 23.523 26.197 12.617 365 HG3 LYS 50 HG1 LYS 50 24.251 24.608 12.857 366 HD2 LYS 50 HD2 LYS 50 26.366 25.470 11.925 367 HD3 LYS 50 HD1 LYS 50 25.625 27.064 11.768 368 HE2 LYS 50 HE2 LYS 50 26.112 25.534 14.318 369 HE3 LYS 50 HE1 LYS 50 26.952 26.987 13.780 370 HZ1 LYS 50 HZ1 LYS 50 24.794 28.160 13.895 371 HZ2 LYS 50 HZ2 LYS 50 25.325 27.585 15.398 372 HZ3 LYS 50 HZ3 LYS 50 24.098 26.765 14.567 373 H ALA 51 HN ALA 51 22.967 22.456 9.370 374 HA ALA 51 HA ALA 51 22.715 23.400 6.725 375 HB1 ALA 51 HB1 ALA 51 22.478 20.569 7.738 376 HB2 ALA 51 HB2 ALA 51 23.979 21.385 7.300 377 HB3 ALA 51 HB3 ALA 51 22.762 21.055 6.066 378 H GLY 52 HN GLY 52 20.441 21.765 8.888 379 HA2 GLY 52 HA2 GLY 52 18.105 22.607 8.664 380 HA3 GLY 52 HA1 GLY 52 18.308 22.381 6.932 381 H VAL 53 HN VAL 53 19.527 20.153 9.333 382 HA VAL 53 HA VAL 53 17.738 18.094 8.274 383 HB VAL 53 HB VAL 53 20.146 17.818 10.088 384 HG11 VAL 53 HG11 VAL 53 18.539 16.016 10.418 385 HG12 VAL 53 HG12 VAL 53 19.988 15.424 9.607 386 HG13 VAL 53 HG13 VAL 53 18.514 15.707 8.681 387 HG21 VAL 53 HG21 VAL 53 20.779 18.573 7.866 388 HG22 VAL 53 HG22 VAL 53 19.843 17.268 7.137 389 HG23 VAL 53 HG23 VAL 53 21.269 16.896 8.108 390 H LYS 54 HN LYS 54 15.861 17.956 9.304 391 HA LYS 54 HA LYS 54 15.818 18.312 12.221 392 HB2 LYS 54 HB2 LYS 54 13.848 18.839 10.071 393 HB3 LYS 54 HB1 LYS 54 13.204 18.235 11.592 394 HG2 LYS 54 HG2 LYS 54 14.939 20.677 11.281 395 HG3 LYS 54 HG1 LYS 54 13.186 20.679 11.487 396 HD2 LYS 54 HD2 LYS 54 13.490 19.511 13.657 397 HD3 LYS 54 HD1 LYS 54 15.236 19.658 13.454 398 HE2 LYS 54 HE2 LYS 54 15.010 22.100 13.399 399 HE3 LYS 54 HE1 LYS 54 13.270 21.939 13.630 400 HZ1 LYS 54 HZ1 LYS 54 15.442 21.359 15.548 401 HZ2 LYS 54 HZ2 LYS 54 13.914 20.663 15.739 402 HZ3 LYS 54 HZ3 LYS 54 14.082 22.350 15.746 403 H SER 55 HN SER 55 15.562 15.968 9.754 404 HA SER 55 HA SER 55 14.875 13.974 11.779 405 HB2 SER 55 HB2 SER 55 13.499 14.111 9.085 406 HB3 SER 55 HB1 SER 55 13.220 12.908 10.345 407 HG SER 55 HG SER 55 12.914 15.265 11.471 408 H VAL 56 HN VAL 56 15.516 11.828 11.223 409 HA VAL 56 HA VAL 56 17.328 11.659 8.908 410 HB VAL 56 HB VAL 56 18.672 9.990 10.150 411 HG11 VAL 56 HG11 VAL 56 18.439 12.675 11.502 412 HG12 VAL 56 HG12 VAL 56 19.412 12.299 10.079 413 HG13 VAL 56 HG13 VAL 56 19.812 11.576 11.638 414 HG21 VAL 56 HG21 VAL 56 18.427 9.787 12.580 415 HG22 VAL 56 HG22 VAL 56 16.987 9.222 11.732 416 HG23 VAL 56 HG23 VAL 56 16.986 10.801 12.516 417 HA PRO 57 HA PRO 57 18.481 10.050 8.010 418 HB2 PRO 57 HB2 PRO 57 18.379 8.889 5.602 419 HB3 PRO 57 HB1 PRO 57 18.651 7.948 7.073 420 HG2 PRO 57 HG2 PRO 57 16.147 8.291 5.480 421 HG3 PRO 57 HG1 PRO 57 16.793 6.833 6.252 422 HD2 PRO 57 HD2 PRO 57 14.806 8.426 7.320 423 HD3 PRO 57 HD1 PRO 57 15.848 7.344 8.263 424 H ALA 58 HN ALA 58 19.195 11.613 6.592 425 HA ALA 58 HA ALA 58 17.161 12.917 4.902 426 HB1 ALA 58 HB1 ALA 58 17.586 14.276 6.894 427 HB2 ALA 58 HB2 ALA 58 18.165 15.080 5.435 428 HB3 ALA 58 HB3 ALA 58 19.309 14.290 6.519 429 H LEU 59 HN LEU 59 17.745 13.235 2.844 430 HA LEU 59 HA LEU 59 20.507 12.546 2.106 431 HB2 LEU 59 HB2 LEU 59 18.155 11.505 1.186 432 HB3 LEU 59 HB1 LEU 59 18.463 12.751 -0.008 433 HG LEU 59 HG LEU 59 20.293 10.452 0.689 434 HD11 LEU 59 HD11 LEU 59 19.829 9.721 -1.595 435 HD12 LEU 59 HD12 LEU 59 18.706 11.066 -1.798 436 HD13 LEU 59 HD13 LEU 59 18.358 9.795 -0.626 437 HD21 LEU 59 HD21 LEU 59 21.702 11.244 -1.135 438 HD22 LEU 59 HD22 LEU 59 21.582 12.448 0.148 439 HD23 LEU 59 HD23 LEU 59 20.657 12.651 -1.340 440 H VAL 60 HN VAL 60 21.696 14.316 1.937 441 HA VAL 60 HA VAL 60 20.549 16.822 1.006 442 HB VAL 60 HB VAL 60 23.390 16.205 1.845 443 HG11 VAL 60 HG11 VAL 60 21.970 18.840 1.487 444 HG12 VAL 60 HG12 VAL 60 23.238 18.188 0.449 445 HG13 VAL 60 HG13 VAL 60 23.605 18.630 2.116 446 HG21 VAL 60 HG21 VAL 60 21.836 15.800 3.673 447 HG22 VAL 60 HG22 VAL 60 21.126 17.398 3.441 448 HG23 VAL 60 HG23 VAL 60 22.798 17.246 3.982 449 H ILE 61 HN ILE 61 20.164 16.582 -1.163 450 HA ILE 61 HA ILE 61 22.305 15.621 -2.904 451 HB ILE 61 HB ILE 61 19.545 16.559 -3.715 452 HG12 ILE 61 HG12 ILE 61 20.484 13.732 -3.161 453 HG13 ILE 61 HG11 ILE 61 19.432 14.668 -2.104 454 HG21 ILE 61 HG21 ILE 61 19.984 15.233 -5.735 455 HG22 ILE 61 HG22 ILE 61 21.594 14.847 -5.125 456 HG23 ILE 61 HG23 ILE 61 21.177 16.514 -5.522 457 HD11 ILE 61 HD11 ILE 61 17.743 14.746 -3.868 458 HD12 ILE 61 HD12 ILE 61 18.160 13.090 -3.429 459 HD13 ILE 61 HD13 ILE 61 18.797 13.795 -4.914 460 H ASP 62 HN ASP 62 23.692 16.975 -3.812 461 HA ASP 62 HA ASP 62 24.694 18.843 -4.633 462 HB2 ASP 62 HB2 ASP 62 21.845 19.789 -4.804 463 HB3 ASP 62 HB1 ASP 62 23.175 20.897 -5.115 464 H GLY 63 HN GLY 63 22.197 19.674 -2.302 465 HA2 GLY 63 HA2 GLY 63 23.906 20.701 -0.339 466 HA3 GLY 63 HA1 GLY 63 23.376 22.039 -1.350 467 H ALA 64 HN ALA 64 20.757 20.514 -1.802 468 HA ALA 64 HA ALA 64 19.417 21.573 0.542 469 HB1 ALA 64 HB1 ALA 64 17.358 21.129 -0.682 470 HB2 ALA 64 HB2 ALA 64 18.267 20.281 -1.932 471 HB3 ALA 64 HB3 ALA 64 18.503 22.013 -1.691 472 H ALA 65 HN ALA 65 18.367 20.390 2.082 473 HA ALA 65 HA ALA 65 19.128 17.563 2.180 474 HB1 ALA 65 HB1 ALA 65 19.759 18.974 4.072 475 HB2 ALA 65 HB2 ALA 65 18.642 17.701 4.564 476 HB3 ALA 65 HB3 ALA 65 18.061 19.354 4.358 477 H PHE 66 HN PHE 66 17.674 16.271 1.253 478 HA PHE 66 HA PHE 66 14.817 16.723 1.781 479 HB2 PHE 66 HB2 PHE 66 16.146 14.888 -0.232 480 HB3 PHE 66 HB1 PHE 66 14.413 15.138 -0.059 481 HD1 PHE 66 HD1 PHE 66 13.464 17.411 -0.550 482 HD2 PHE 66 HD2 PHE 66 17.460 16.327 -1.534 483 HE1 PHE 66 HE1 PHE 66 13.572 19.277 -2.151 484 HE2 PHE 66 HE2 PHE 66 17.576 18.191 -3.137 485 HZ PHE 66 HZ PHE 66 15.631 19.669 -3.445 486 H HIS 67 HN HIS 67 13.999 15.615 3.431 487 HA HIS 67 HA HIS 67 15.435 13.487 4.687 488 HB2 HIS 67 HB2 HIS 67 12.600 14.443 5.160 489 HB3 HIS 67 HB1 HIS 67 13.524 13.393 6.228 490 HD1 HIS 67 HD1 HIS 67 13.170 16.984 5.201 491 HD2 HIS 67 HD2 HIS 67 15.452 14.662 7.782 492 HE1 HIS 67 HE1 HIS 67 14.325 18.596 6.774 493 H ILE 68 HN ILE 68 14.870 11.305 4.836 494 HA ILE 68 HA ILE 68 12.867 10.378 2.878 495 HB ILE 68 HB ILE 68 15.393 8.937 3.724 496 HG12 ILE 68 HG12 ILE 68 14.639 10.194 1.073 497 HG13 ILE 68 HG11 ILE 68 15.825 10.832 2.207 498 HG21 ILE 68 HG21 ILE 68 14.768 7.285 2.017 499 HG22 ILE 68 HG22 ILE 68 13.261 8.156 1.735 500 HG23 ILE 68 HG23 ILE 68 13.558 7.394 3.297 501 HD11 ILE 68 HD11 ILE 68 16.904 9.692 0.363 502 HD12 ILE 68 HD12 ILE 68 16.013 8.215 0.735 503 HD13 ILE 68 HD13 ILE 68 17.200 8.841 1.880 504 H ASN 69 HN ASN 69 11.130 9.922 4.059 505 HA ASN 69 HA ASN 69 9.752 9.032 5.630 506 HB2 ASN 69 HB2 ASN 69 12.142 7.250 6.127 507 HB3 ASN 69 HB1 ASN 69 10.638 7.087 7.025 508 HD21 ASN 69 HD21 ASN 69 11.982 5.232 5.208 509 HD22 ASN 69 HD22 ASN 69 10.817 4.845 3.994 510 H PHE 70 HN PHE 70 9.772 8.495 8.172 511 HA PHE 70 HA PHE 70 11.462 10.519 9.469 512 HB2 PHE 70 HB2 PHE 70 9.111 11.282 9.347 513 HB3 PHE 70 HB1 PHE 70 8.603 9.826 10.196 514 HD1 PHE 70 HD2 PHE 70 10.724 12.856 10.561 515 HD2 PHE 70 HD1 PHE 70 8.530 9.783 12.523 516 HE1 PHE 70 HE2 PHE 70 11.054 13.998 12.715 517 HE2 PHE 70 HE1 PHE 70 8.858 10.920 14.679 518 HZ PHE 70 HZ PHE 70 10.122 13.030 14.778 519 H GLY 71 HN GLY 71 12.997 9.006 10.067 520 HA2 GLY 71 HA2 GLY 71 12.196 6.717 11.666 521 HA3 GLY 71 HA1 GLY 71 13.842 7.166 11.230 522 H ALA 72 HN ALA 72 14.458 9.398 12.198 523 HA ALA 72 HA ALA 72 13.342 9.743 14.884 524 HB1 ALA 72 HB1 ALA 72 16.298 9.493 14.315 525 HB2 ALA 72 HB2 ALA 72 15.305 8.306 15.161 526 HB3 ALA 72 HB3 ALA 72 15.575 9.898 15.872 527 H GLY 73 HN GLY 73 13.633 11.862 15.726 528 HA2 GLY 73 HA2 GLY 73 14.134 13.873 13.665 529 HA3 GLY 73 HA1 GLY 73 13.396 14.157 15.237 530 H ILE 74 HN ILE 74 15.408 15.809 14.249 531 HA ILE 74 HA ILE 74 17.960 15.023 15.291 532 HB ILE 74 HB ILE 74 17.595 16.710 13.435 533 HG12 ILE 74 HG12 ILE 74 19.454 18.209 14.208 534 HG13 ILE 74 HG11 ILE 74 19.325 17.462 15.798 535 HG21 ILE 74 HG21 ILE 74 15.831 18.015 14.463 536 HG22 ILE 74 HG22 ILE 74 17.218 19.039 14.085 537 HG23 ILE 74 HG23 ILE 74 16.930 18.520 15.746 538 HD11 ILE 74 HD11 ILE 74 19.901 15.303 14.837 539 HD12 ILE 74 HD12 ILE 74 21.143 16.507 14.492 540 HD13 ILE 74 HD13 ILE 74 20.000 16.035 13.236 541 H ASP 75 HN ASP 75 15.140 16.624 16.525 542 HA ASP 75 HA ASP 75 16.399 17.576 18.938 543 HB2 ASP 75 HB2 ASP 75 13.468 17.230 18.245 544 HB3 ASP 75 HB1 ASP 75 14.073 18.028 19.691 545 H ASP 76 HN ASP 76 14.639 14.775 17.855 546 HA ASP 76 HA ASP 76 14.421 13.562 20.448 547 HB2 ASP 76 HB2 ASP 76 14.084 12.406 17.668 548 HB3 ASP 76 HB1 ASP 76 13.749 11.529 19.156 549 H LEU 77 HN LEU 77 16.834 13.876 18.087 550 HA LEU 77 HA LEU 77 18.303 11.495 18.542 551 HB2 LEU 77 HB2 LEU 77 18.488 13.080 16.569 552 HB3 LEU 77 HB1 LEU 77 19.396 14.150 17.619 553 HG LEU 77 HG LEU 77 21.075 12.330 17.935 554 HD11 LEU 77 HD11 LEU 77 19.473 10.990 15.763 555 HD12 LEU 77 HD12 LEU 77 19.643 10.433 17.429 556 HD13 LEU 77 HD13 LEU 77 21.045 10.457 16.358 557 HD21 LEU 77 HD21 LEU 77 20.577 13.185 15.085 558 HD22 LEU 77 HD22 LEU 77 22.106 12.597 15.739 559 HD23 LEU 77 HD23 LEU 77 21.430 14.122 16.312 560 H LYS 78 HN LYS 78 18.242 14.661 20.023 561 HA LYS 78 HA LYS 78 20.536 14.124 21.695 562 HB2 LYS 78 HB2 LYS 78 18.546 16.404 21.752 563 HB3 LYS 78 HB1 LYS 78 20.019 16.319 22.709 564 HG2 LYS 78 HG2 LYS 78 21.361 16.350 20.685 565 HG3 LYS 78 HG1 LYS 78 19.897 16.377 19.701 566 HD2 LYS 78 HD2 LYS 78 19.280 18.535 20.666 567 HD3 LYS 78 HD1 LYS 78 20.727 18.503 21.678 568 HE2 LYS 78 HE2 LYS 78 22.131 18.506 19.684 569 HE3 LYS 78 HE1 LYS 78 20.696 18.499 18.662 570 HZ1 LYS 78 HZ1 LYS 78 21.637 20.710 18.865 571 HZ2 LYS 78 HZ2 LYS 78 21.453 20.664 20.555 572 HZ3 LYS 78 HZ3 LYS 78 20.087 20.657 19.550 573 H GLY 79 HN GLY 79 19.938 12.291 22.829 574 HA2 GLY 79 HA2 GLY 79 17.525 12.382 24.471 575 HA3 GLY 79 HA1 GLY 79 18.586 10.996 24.252 576 H SER 80 HN SER 80 17.629 11.796 26.747 577 HA SER 80 HA SER 80 19.824 13.196 28.055 578 HB2 SER 80 HB2 SER 80 17.313 12.029 29.280 579 HB3 SER 80 HB1 SER 80 18.413 13.193 30.021 580 HG SER 80 HG SER 80 17.296 13.875 27.553 581 H1 VAL 1 HT1 VAL 1 18.764 -2.549 -12.421 582 H2 VAL 1 HT2 VAL 1 19.285 -1.832 -13.866 583 H3 VAL 1 HT3 VAL 1 19.481 -3.496 -13.628 584 HA VAL 1 HA VAL 1 17.634 -3.000 -15.123 585 HB VAL 1 HB VAL 1 16.730 -4.147 -12.470 586 HG11 VAL 1 HG11 VAL 1 14.881 -3.737 -13.993 587 HG12 VAL 1 HG12 VAL 1 15.172 -5.470 -13.828 588 HG13 VAL 1 HG13 VAL 1 15.717 -4.616 -15.273 589 HG21 VAL 1 HG21 VAL 1 18.793 -5.205 -13.212 590 HG22 VAL 1 HG22 VAL 1 18.077 -5.520 -14.793 591 HG23 VAL 1 HG23 VAL 1 17.432 -6.316 -13.357 592 H ALA 2 HN ALA 2 15.854 -1.776 -15.590 593 HA ALA 2 HA ALA 2 15.280 0.483 -13.941 594 HB1 ALA 2 HB1 ALA 2 13.596 1.033 -15.619 595 HB2 ALA 2 HB2 ALA 2 13.793 -0.559 -16.352 596 HB3 ALA 2 HB3 ALA 2 15.125 0.598 -16.381 597 H SER 3 HN SER 3 14.491 -0.132 -11.981 598 HA SER 3 HA SER 3 12.360 -2.038 -11.714 599 HB2 SER 3 HB2 SER 3 13.588 -0.160 -9.683 600 HB3 SER 3 HB1 SER 3 12.520 -1.516 -9.319 601 HG SER 3 HG SER 3 14.139 -2.860 -10.391 602 H LYS 4 HN LYS 4 10.400 -1.406 -10.346 603 HA LYS 4 HA LYS 4 9.075 0.739 -11.766 604 HB2 LYS 4 HB2 LYS 4 8.007 -1.483 -11.381 605 HB3 LYS 4 HB1 LYS 4 7.974 -1.133 -9.659 606 HG2 LYS 4 HG2 LYS 4 6.500 0.763 -10.057 607 HG3 LYS 4 HG1 LYS 4 6.556 0.451 -11.794 608 HD2 LYS 4 HD2 LYS 4 5.582 -1.790 -11.375 609 HD3 LYS 4 HD1 LYS 4 5.440 -1.377 -9.666 610 HE2 LYS 4 HE2 LYS 4 3.314 -1.033 -10.757 611 HE3 LYS 4 HE1 LYS 4 3.988 0.523 -10.276 612 HZ1 LYS 4 HZ1 LYS 4 4.737 0.866 -12.553 613 HZ2 LYS 4 HZ2 LYS 4 3.064 0.609 -12.505 614 HZ3 LYS 4 HZ3 LYS 4 4.093 -0.635 -13.014 615 H ALA 5 HN ALA 5 10.026 2.614 -10.931 616 HA ALA 5 HA ALA 5 9.827 3.112 -8.066 617 HB1 ALA 5 HB1 ALA 5 11.058 5.166 -8.533 618 HB2 ALA 5 HB2 ALA 5 10.945 4.852 -10.265 619 HB3 ALA 5 HB3 ALA 5 11.878 3.770 -9.231 620 H ILE 6 HN ILE 6 7.848 3.640 -7.403 621 HA ILE 6 HA ILE 6 6.112 5.211 -9.163 622 HB ILE 6 HB ILE 6 5.381 3.851 -6.565 623 HG12 ILE 6 HG12 ILE 6 5.005 2.839 -9.395 624 HG13 ILE 6 HG11 ILE 6 6.215 2.236 -8.267 625 HG21 ILE 6 HG21 ILE 6 3.700 4.909 -8.836 626 HG22 ILE 6 HG22 ILE 6 3.865 5.629 -7.235 627 HG23 ILE 6 HG23 ILE 6 3.089 4.056 -7.418 628 HD11 ILE 6 HD11 ILE 6 4.454 1.470 -6.775 629 HD12 ILE 6 HD12 ILE 6 4.284 0.765 -8.383 630 HD13 ILE 6 HD13 ILE 6 3.234 2.092 -7.886 631 H PHE 7 HN PHE 7 6.035 7.331 -8.881 632 HA PHE 7 HA PHE 7 6.746 8.463 -6.273 633 HB2 PHE 7 HB2 PHE 7 7.939 9.332 -8.247 634 HB3 PHE 7 HB1 PHE 7 6.405 9.807 -8.966 635 HD1 PHE 7 HD1 PHE 7 8.642 10.421 -6.080 636 HD2 PHE 7 HD2 PHE 7 5.455 11.896 -8.484 637 HE1 PHE 7 HE1 PHE 7 8.820 12.606 -4.967 638 HE2 PHE 7 HE2 PHE 7 5.627 14.085 -7.373 639 HZ PHE 7 HZ PHE 7 7.311 14.442 -5.613 640 H TYR 8 HN TYR 8 5.182 9.044 -4.943 641 HA TYR 8 HA TYR 8 2.472 9.422 -6.015 642 HB2 TYR 8 HB2 TYR 8 3.450 8.795 -3.223 643 HB3 TYR 8 HB1 TYR 8 1.775 9.164 -3.606 644 HD1 TYR 8 HD2 TYR 8 0.513 7.621 -5.140 645 HD2 TYR 8 HD1 TYR 8 4.324 6.628 -3.534 646 HE1 TYR 8 HE2 TYR 8 0.096 5.250 -5.635 647 HE2 TYR 8 HE1 TYR 8 3.918 4.254 -4.023 648 HH TYR 8 HH TYR 8 1.368 3.194 -6.006 649 H HIS 9 HN HIS 9 1.715 11.434 -6.176 650 HA HIS 9 HA HIS 9 2.453 13.368 -4.117 651 HB2 HIS 9 HB2 HIS 9 3.094 15.081 -5.626 652 HB3 HIS 9 HB1 HIS 9 3.980 13.648 -6.127 653 HD2 HIS 9 HD2 HIS 9 2.965 12.425 -8.518 654 HE1 HIS 9 HE1 HIS 9 0.966 15.965 -9.690 655 HE2 HIS 9 HE2 HIS 9 1.942 13.771 -10.487 656 H ALA 10 HN ALA 10 1.093 15.474 -4.535 657 HA ALA 10 HA ALA 10 -1.593 14.716 -5.446 658 HB1 ALA 10 HB1 ALA 10 -0.993 16.029 -2.797 659 HB2 ALA 10 HB2 ALA 10 -1.500 14.355 -3.025 660 HB3 ALA 10 HB3 ALA 10 -2.595 15.673 -3.443 661 H GLY 11 HN GLY 11 0.680 16.540 -6.350 662 HA2 GLY 11 HA2 GLY 11 0.735 18.529 -7.520 663 HA3 GLY 11 HA1 GLY 11 -0.974 18.733 -7.164 664 H CYS 12 HN CYS 12 2.145 18.774 -5.463 665 HA CYS 12 HA CYS 12 1.331 21.278 -4.164 666 HB2 CYS 12 HB2 CYS 12 2.696 18.947 -2.789 667 HB3 CYS 12 HB1 CYS 12 2.331 20.502 -2.050 668 HG CYS 12 HG CYS 12 -0.455 20.171 -2.267 669 HA PRO 13 HA PRO 13 5.304 22.908 -5.291 670 HB2 PRO 13 HB2 PRO 13 5.678 23.684 -2.443 671 HB3 PRO 13 HB1 PRO 13 5.761 24.679 -3.900 672 HG2 PRO 13 HG2 PRO 13 3.656 24.826 -2.278 673 HG3 PRO 13 HG1 PRO 13 3.456 24.905 -4.039 674 HD2 PRO 13 HD2 PRO 13 2.923 22.635 -2.171 675 HD3 PRO 13 HD1 PRO 13 2.024 23.145 -3.615 676 H VAL 14 HN VAL 14 5.137 21.035 -2.306 677 HA VAL 14 HA VAL 14 7.846 20.360 -2.050 678 HB VAL 14 HB VAL 14 5.405 18.747 -1.274 679 HG11 VAL 14 HG11 VAL 14 6.874 17.606 0.318 680 HG12 VAL 14 HG12 VAL 14 8.259 18.487 -0.328 681 HG13 VAL 14 HG13 VAL 14 7.391 17.338 -1.347 682 HG21 VAL 14 HG21 VAL 14 5.754 19.705 0.953 683 HG22 VAL 14 HG22 VAL 14 5.443 20.956 -0.252 684 HG23 VAL 14 HG23 VAL 14 7.087 20.674 0.325 685 H CYS 15 HN CYS 15 5.278 19.012 -4.021 686 HA CYS 15 HA CYS 15 6.604 16.604 -4.731 687 HB2 CYS 15 HB2 CYS 15 4.452 18.023 -6.304 688 HB3 CYS 15 HB1 CYS 15 4.824 16.301 -6.305 689 HG CYS 15 HG CYS 15 4.210 16.502 -3.314 690 H VAL 16 HN VAL 16 6.446 19.826 -6.124 691 HA VAL 16 HA VAL 16 7.642 19.263 -8.606 692 HB VAL 16 HB VAL 16 7.809 21.842 -7.033 693 HG11 VAL 16 HG11 VAL 16 9.391 21.764 -8.879 694 HG12 VAL 16 HG12 VAL 16 8.087 22.899 -9.229 695 HG13 VAL 16 HG13 VAL 16 8.098 21.306 -9.987 696 HG21 VAL 16 HG21 VAL 16 5.496 21.137 -7.291 697 HG22 VAL 16 HG22 VAL 16 5.739 20.922 -9.024 698 HG23 VAL 16 HG23 VAL 16 5.833 22.533 -8.315 699 H SER 17 HN SER 17 9.069 20.475 -5.576 700 HA SER 17 HA SER 17 11.729 20.520 -6.449 701 HB2 SER 17 HB2 SER 17 10.752 20.025 -3.628 702 HB3 SER 17 HB1 SER 17 12.319 20.682 -4.106 703 HG SER 17 HG SER 17 11.206 22.490 -4.984 704 H ALA 18 HN ALA 18 9.807 17.958 -4.958 705 HA ALA 18 HA ALA 18 11.897 16.130 -4.511 706 HB1 ALA 18 HB1 ALA 18 9.689 15.931 -3.471 707 HB2 ALA 18 HB2 ALA 18 10.153 14.448 -4.306 708 HB3 ALA 18 HB3 ALA 18 8.986 15.547 -5.042 709 H GLU 19 HN GLU 19 9.741 16.591 -7.291 710 HA GLU 19 HA GLU 19 10.674 14.356 -8.755 711 HB2 GLU 19 HB2 GLU 19 8.537 15.483 -9.251 712 HB3 GLU 19 HB1 GLU 19 9.420 16.907 -9.791 713 HG2 GLU 19 HG2 GLU 19 10.561 15.305 -11.449 714 HG3 GLU 19 HG1 GLU 19 9.230 14.212 -11.075 715 H GLN 20 HN GLN 20 11.492 17.814 -8.941 716 HA GLN 20 HA GLN 20 13.251 17.453 -11.149 717 HB2 GLN 20 HB2 GLN 20 12.969 19.788 -9.256 718 HB3 GLN 20 HB1 GLN 20 13.855 19.812 -10.775 719 HG2 GLN 20 HG2 GLN 20 11.760 19.302 -11.970 720 HG3 GLN 20 HG1 GLN 20 10.896 19.377 -10.436 721 HE21 GLN 20 HE21 GLN 20 10.549 20.991 -12.829 722 HE22 GLN 20 HE22 GLN 20 10.800 22.635 -12.339 723 H ALA 21 HN ALA 21 13.674 17.018 -7.785 724 HA ALA 21 HA ALA 21 16.592 17.196 -8.074 725 HB1 ALA 21 HB1 ALA 21 16.700 17.162 -5.647 726 HB2 ALA 21 HB2 ALA 21 14.951 16.943 -5.557 727 HB3 ALA 21 HB3 ALA 21 15.621 18.442 -6.203 728 H VAL 22 HN VAL 22 14.298 15.061 -6.355 729 HA VAL 22 HA VAL 22 16.228 12.978 -6.135 730 HB VAL 22 HB VAL 22 13.240 12.821 -5.702 731 HG11 VAL 22 HG11 VAL 22 14.260 10.627 -5.924 732 HG12 VAL 22 HG12 VAL 22 13.784 10.915 -4.250 733 HG13 VAL 22 HG13 VAL 22 15.478 11.050 -4.722 734 HG21 VAL 22 HG21 VAL 22 13.760 13.187 -3.330 735 HG22 VAL 22 HG22 VAL 22 14.222 14.567 -4.327 736 HG23 VAL 22 HG23 VAL 22 15.453 13.445 -3.749 737 H ALA 23 HN ALA 23 13.291 13.371 -8.110 738 HA ALA 23 HA ALA 23 13.672 10.837 -9.418 739 HB1 ALA 23 HB1 ALA 23 11.428 11.730 -9.020 740 HB2 ALA 23 HB2 ALA 23 11.716 11.432 -10.735 741 HB3 ALA 23 HB3 ALA 23 11.774 13.078 -10.104 742 H ASN 24 HN ASN 24 15.343 13.594 -9.703 743 HA ASN 24 HA ASN 24 15.863 13.174 -12.566 744 HB2 ASN 24 HB2 ASN 24 15.403 15.487 -12.105 745 HB3 ASN 24 HB1 ASN 24 16.532 15.500 -10.755 746 HD21 ASN 24 HD21 ASN 24 16.241 15.339 -14.237 747 HD22 ASN 24 HD22 ASN 24 17.856 15.872 -14.584 748 H ALA 25 HN ALA 25 17.297 13.224 -9.363 749 HA ALA 25 HA ALA 25 19.936 12.572 -10.107 750 HB1 ALA 25 HB1 ALA 25 20.196 11.797 -7.800 751 HB2 ALA 25 HB2 ALA 25 18.447 11.851 -7.579 752 HB3 ALA 25 HB3 ALA 25 19.347 13.341 -7.855 753 H ILE 26 HN ILE 26 17.055 10.665 -9.490 754 HA ILE 26 HA ILE 26 18.404 8.224 -10.358 755 HB ILE 26 HB ILE 26 15.501 8.618 -9.587 756 HG12 ILE 26 HG12 ILE 26 17.776 7.526 -7.912 757 HG13 ILE 26 HG11 ILE 26 17.077 9.132 -7.728 758 HG21 ILE 26 HG21 ILE 26 17.160 6.118 -9.901 759 HG22 ILE 26 HG22 ILE 26 15.881 6.664 -10.986 760 HG23 ILE 26 HG23 ILE 26 15.490 6.177 -9.337 761 HD11 ILE 26 HD11 ILE 26 16.219 7.601 -6.057 762 HD12 ILE 26 HD12 ILE 26 15.635 6.521 -7.323 763 HD13 ILE 26 HD13 ILE 26 14.932 8.128 -7.140 764 H ASP 27 HN ASP 27 18.786 8.454 -12.511 765 HA ASP 27 HA ASP 27 17.190 9.803 -14.358 766 HB2 ASP 27 HB2 ASP 27 19.205 7.590 -14.731 767 HB3 ASP 27 HB1 ASP 27 18.399 8.372 -16.085 768 HA PRO 28 HA PRO 28 13.786 6.984 -15.032 769 HB2 PRO 28 HB2 PRO 28 12.995 8.077 -17.422 770 HB3 PRO 28 HB1 PRO 28 12.554 8.737 -15.844 771 HG2 PRO 28 HG2 PRO 28 14.716 9.598 -17.723 772 HG3 PRO 28 HG1 PRO 28 13.608 10.591 -16.757 773 HD2 PRO 28 HD2 PRO 28 16.162 10.169 -16.013 774 HD3 PRO 28 HD1 PRO 28 14.850 10.319 -14.825 775 H SER 29 HN SER 29 16.527 7.504 -17.011 776 HA SER 29 HA SER 29 16.010 5.372 -18.882 777 HB2 SER 29 HB2 SER 29 18.696 6.619 -18.318 778 HB3 SER 29 HB1 SER 29 18.085 5.964 -19.838 779 HG SER 29 HG SER 29 17.317 7.856 -20.289 780 H LYS 30 HN LYS 30 17.219 5.714 -15.728 781 HA LYS 30 HA LYS 30 18.756 3.220 -15.795 782 HB2 LYS 30 HB2 LYS 30 19.662 5.383 -14.795 783 HB3 LYS 30 HB1 LYS 30 18.473 5.191 -13.521 784 HG2 LYS 30 HG2 LYS 30 19.515 3.041 -12.910 785 HG3 LYS 30 HG1 LYS 30 20.744 3.315 -14.152 786 HD2 LYS 30 HD2 LYS 30 21.322 5.456 -13.015 787 HD3 LYS 30 HD1 LYS 30 20.200 5.026 -11.726 788 HE2 LYS 30 HE2 LYS 30 22.429 4.465 -11.037 789 HE3 LYS 30 HE1 LYS 30 21.529 2.976 -11.318 790 HZ1 LYS 30 HZ1 LYS 30 23.081 4.057 -13.550 791 HZ2 LYS 30 HZ2 LYS 30 22.791 2.441 -13.108 792 HZ3 LYS 30 HZ3 LYS 30 23.945 3.360 -12.268 793 H TYR 31 HN TYR 31 16.119 4.840 -14.084 794 HA TYR 31 HA TYR 31 14.921 2.220 -13.526 795 HB2 TYR 31 HB2 TYR 31 15.248 4.487 -11.546 796 HB3 TYR 31 HB1 TYR 31 14.123 3.155 -11.311 797 HD1 TYR 31 HD1 TYR 31 17.666 4.123 -11.391 798 HD2 TYR 31 HD2 TYR 31 14.915 0.948 -10.726 799 HE1 TYR 31 HE1 TYR 31 19.460 2.789 -10.370 800 HE2 TYR 31 HE2 TYR 31 16.702 -0.394 -9.701 801 HH TYR 31 HH TYR 31 19.704 0.915 -8.802 802 H THR 32 HN THR 32 12.704 2.175 -13.795 803 HA THR 32 HA THR 32 11.616 4.343 -15.327 804 HB THR 32 HB THR 32 10.132 1.907 -14.335 805 HG1 THR 32 HG1 THR 32 11.746 2.253 -16.674 806 HG21 THR 32 HG21 THR 32 9.720 3.699 -16.733 807 HG22 THR 32 HG22 THR 32 8.733 3.686 -15.271 808 HG23 THR 32 HG23 THR 32 8.757 2.276 -16.332 809 H VAL 33 HN VAL 33 11.221 6.126 -14.130 810 HA VAL 33 HA VAL 33 9.821 5.925 -11.596 811 HB VAL 33 HB VAL 33 10.712 8.401 -13.089 812 HG11 VAL 33 HG11 VAL 33 10.468 9.516 -10.914 813 HG12 VAL 33 HG12 VAL 33 9.832 8.021 -10.228 814 HG13 VAL 33 HG13 VAL 33 8.937 8.861 -11.494 815 HG21 VAL 33 HG21 VAL 33 12.615 6.985 -12.517 816 HG22 VAL 33 HG22 VAL 33 12.069 6.913 -10.841 817 HG23 VAL 33 HG23 VAL 33 12.599 8.447 -11.531 818 H GLU 34 HN GLU 34 7.702 5.918 -11.468 819 HA GLU 34 HA GLU 34 6.116 6.990 -13.701 820 HB2 GLU 34 HB2 GLU 34 5.427 4.970 -11.561 821 HB3 GLU 34 HB1 GLU 34 4.277 5.592 -12.737 822 HG2 GLU 34 HG2 GLU 34 5.488 4.613 -14.545 823 HG3 GLU 34 HG1 GLU 34 6.810 4.151 -13.475 824 H ILE 35 HN ILE 35 5.130 8.856 -13.382 825 HA ILE 35 HA ILE 35 4.928 9.962 -10.703 826 HB ILE 35 HB ILE 35 4.150 11.204 -13.351 827 HG12 ILE 35 HG12 ILE 35 6.547 10.701 -13.274 828 HG13 ILE 35 HG11 ILE 35 6.273 12.438 -13.189 829 HG21 ILE 35 HG21 ILE 35 3.008 12.232 -11.472 830 HG22 ILE 35 HG22 ILE 35 4.226 13.328 -12.125 831 HG23 ILE 35 HG23 ILE 35 4.544 12.444 -10.632 832 HD11 ILE 35 HD11 ILE 35 8.031 11.744 -11.668 833 HD12 ILE 35 HD12 ILE 35 6.919 10.635 -10.865 834 HD13 ILE 35 HD13 ILE 35 6.647 12.376 -10.777 835 H VAL 36 HN VAL 36 3.232 9.303 -9.535 836 HA VAL 36 HA VAL 36 0.670 8.845 -10.906 837 HB VAL 36 HB VAL 36 1.632 7.832 -8.223 838 HG11 VAL 36 HG11 VAL 36 -0.414 6.475 -8.217 839 HG12 VAL 36 HG12 VAL 36 -0.945 7.283 -9.692 840 HG13 VAL 36 HG13 VAL 36 -0.773 8.201 -8.197 841 HG21 VAL 36 HG21 VAL 36 1.616 5.635 -9.313 842 HG22 VAL 36 HG22 VAL 36 2.737 6.746 -10.098 843 HG23 VAL 36 HG23 VAL 36 1.174 6.400 -10.839 844 H HIS 37 HN HIS 37 -0.791 10.385 -10.710 845 HA HIS 37 HA HIS 37 -0.545 12.387 -8.617 846 HB2 HIS 37 HB2 HIS 37 -1.110 12.744 -11.163 847 HB3 HIS 37 HB1 HIS 37 -2.748 12.359 -10.651 848 HD2 HIS 37 HD2 HIS 37 -1.030 15.386 -11.424 849 HE1 HIS 37 HE1 HIS 37 -3.048 16.374 -7.839 850 HE2 HIS 37 HE2 HIS 37 -1.621 17.263 -9.738 851 H LEU 38 HN LEU 38 -1.457 12.000 -6.722 852 HA LEU 38 HA LEU 38 -3.613 10.099 -6.438 853 HB2 LEU 38 HB2 LEU 38 -2.147 11.829 -4.451 854 HB3 LEU 38 HB1 LEU 38 -3.412 10.698 -4.008 855 HG LEU 38 HG LEU 38 -0.934 9.808 -5.467 856 HD11 LEU 38 HD11 LEU 38 -0.038 9.147 -3.288 857 HD12 LEU 38 HD12 LEU 38 -1.388 9.957 -2.493 858 HD13 LEU 38 HD13 LEU 38 -0.217 10.895 -3.420 859 HD21 LEU 38 HD21 LEU 38 -1.526 7.640 -4.534 860 HD22 LEU 38 HD22 LEU 38 -2.867 8.295 -5.474 861 HD23 LEU 38 HD23 LEU 38 -2.911 8.355 -3.711 862 H GLY 39 HN GLY 39 -3.357 13.445 -6.956 863 HA2 GLY 39 HA2 GLY 39 -5.821 14.181 -5.644 864 HA3 GLY 39 HA1 GLY 39 -4.869 15.191 -6.727 865 H THR 40 HN THR 40 -4.898 12.867 -8.669 866 HA THR 40 HA THR 40 -7.183 13.650 -10.170 867 HB THR 40 HB THR 40 -5.297 11.316 -10.579 868 HG1 THR 40 HG1 THR 40 -5.292 14.012 -11.483 869 HG21 THR 40 HG21 THR 40 -7.390 11.023 -11.812 870 HG22 THR 40 HG22 THR 40 -6.052 11.367 -12.909 871 HG23 THR 40 HG23 THR 40 -7.211 12.634 -12.508 872 H ASP 41 HN ASP 41 -6.309 10.709 -8.367 873 HA ASP 41 HA ASP 41 -9.135 9.898 -8.487 874 HB2 ASP 41 HB2 ASP 41 -6.721 8.094 -8.755 875 HB3 ASP 41 HB1 ASP 41 -8.374 7.526 -8.558 876 H LYS 42 HN LYS 42 -9.990 9.755 -6.541 877 HA LYS 42 HA LYS 42 -8.387 9.665 -4.169 878 HB2 LYS 42 HB2 LYS 42 -11.374 9.398 -4.569 879 HB3 LYS 42 HB1 LYS 42 -10.586 9.484 -2.998 880 HG2 LYS 42 HG2 LYS 42 -9.744 11.705 -3.526 881 HG3 LYS 42 HG1 LYS 42 -10.495 11.620 -5.120 882 HD2 LYS 42 HD2 LYS 42 -12.698 11.451 -4.072 883 HD3 LYS 42 HD1 LYS 42 -11.946 11.525 -2.476 884 HE2 LYS 42 HE2 LYS 42 -11.113 13.750 -2.936 885 HE3 LYS 42 HE1 LYS 42 -11.747 13.677 -4.579 886 HZ1 LYS 42 HZ1 LYS 42 -13.180 14.945 -3.088 887 HZ2 LYS 42 HZ2 LYS 42 -13.390 13.583 -2.104 888 HZ3 LYS 42 HZ3 LYS 42 -13.978 13.578 -3.696 889 H ALA 43 HN ALA 43 -9.778 7.386 -6.304 890 HA ALA 43 HA ALA 43 -9.913 5.131 -4.609 891 HB1 ALA 43 HB1 ALA 43 -9.862 3.819 -6.667 892 HB2 ALA 43 HB2 ALA 43 -9.349 5.242 -7.573 893 HB3 ALA 43 HB3 ALA 43 -10.949 5.199 -6.830 894 H ARG 44 HN ARG 44 -7.284 6.857 -5.997 895 HA ARG 44 HA ARG 44 -5.362 4.740 -5.848 896 HB2 ARG 44 HB2 ARG 44 -5.122 7.716 -6.230 897 HB3 ARG 44 HB1 ARG 44 -3.711 6.676 -6.092 898 HG2 ARG 44 HG2 ARG 44 -4.519 5.378 -8.024 899 HG3 ARG 44 HG1 ARG 44 -5.864 6.508 -8.184 900 HD2 ARG 44 HD2 ARG 44 -4.418 8.296 -8.728 901 HD3 ARG 44 HD1 ARG 44 -2.989 7.388 -8.229 902 HE ARG 44 HE ARG 44 -3.781 5.833 -10.174 903 HH11 ARG 44 HH11 ARG 44 -3.776 9.344 -10.111 904 HH12 ARG 44 HH12 ARG 44 -3.611 9.493 -11.832 905 HH21 ARG 44 HH21 ARG 44 -3.561 6.046 -12.447 906 HH22 ARG 44 HH22 ARG 44 -3.514 7.631 -13.157 907 H ILE 45 HN ILE 45 -6.733 6.926 -3.596 908 HA ILE 45 HA ILE 45 -4.650 6.955 -1.677 909 HB ILE 45 HB ILE 45 -7.642 7.154 -1.252 910 HG12 ILE 45 HG12 ILE 45 -5.531 9.312 -1.513 911 HG13 ILE 45 HG11 ILE 45 -6.715 8.892 -2.745 912 HG21 ILE 45 HG21 ILE 45 -6.495 6.553 0.810 913 HG22 ILE 45 HG22 ILE 45 -7.076 8.216 0.887 914 HG23 ILE 45 HG23 ILE 45 -5.368 7.892 0.591 915 HD11 ILE 45 HD11 ILE 45 -7.367 10.894 -1.546 916 HD12 ILE 45 HD12 ILE 45 -7.322 10.013 -0.019 917 HD13 ILE 45 HD13 ILE 45 -8.514 9.589 -1.248 918 H ALA 46 HN ALA 46 -7.291 4.752 -2.392 919 HA ALA 46 HA ALA 46 -6.847 3.001 -0.197 920 HB1 ALA 46 HB1 ALA 46 -8.979 3.070 -1.393 921 HB2 ALA 46 HB2 ALA 46 -8.295 1.445 -1.394 922 HB3 ALA 46 HB3 ALA 46 -8.189 2.448 -2.842 923 H GLU 47 HN GLU 47 -5.427 3.360 -3.356 924 HA GLU 47 HA GLU 47 -4.116 0.818 -3.393 925 HB2 GLU 47 HB2 GLU 47 -3.474 3.355 -4.909 926 HB3 GLU 47 HB1 GLU 47 -2.763 1.778 -5.226 927 HG2 GLU 47 HG2 GLU 47 -5.070 0.930 -5.688 928 HG3 GLU 47 HG1 GLU 47 -5.633 2.597 -5.578 929 H ALA 48 HN ALA 48 -3.337 4.034 -2.236 930 HA ALA 48 HA ALA 48 -0.642 3.570 -1.551 931 HB1 ALA 48 HB1 ALA 48 -1.620 5.812 -1.614 932 HB2 ALA 48 HB2 ALA 48 -0.884 5.483 -0.046 933 HB3 ALA 48 HB3 ALA 48 -2.637 5.413 -0.229 934 H GLU 49 HN GLU 49 -3.676 2.937 0.094 935 HA GLU 49 HA GLU 49 -2.651 2.049 2.560 936 HB2 GLU 49 HB2 GLU 49 -5.164 1.232 1.089 937 HB3 GLU 49 HB1 GLU 49 -4.821 0.856 2.772 938 HG2 GLU 49 HG2 GLU 49 -4.871 3.178 3.361 939 HG3 GLU 49 HG1 GLU 49 -5.027 3.644 1.667 940 H LYS 50 HN LYS 50 -3.021 0.492 -0.551 941 HA LYS 50 HA LYS 50 -2.599 -2.176 0.331 942 HB2 LYS 50 HB2 LYS 50 -2.064 -0.977 -2.394 943 HB3 LYS 50 HB1 LYS 50 -2.183 -2.691 -2.028 944 HG2 LYS 50 HG2 LYS 50 -4.528 -2.376 -1.381 945 HG3 LYS 50 HG1 LYS 50 -4.398 -0.667 -1.802 946 HD2 LYS 50 HD2 LYS 50 -3.824 -1.308 -4.112 947 HD3 LYS 50 HD1 LYS 50 -4.027 -3.005 -3.673 948 HE2 LYS 50 HE2 LYS 50 -6.147 -0.861 -3.637 949 HE3 LYS 50 HE1 LYS 50 -6.019 -2.199 -4.778 950 HZ1 LYS 50 HZ1 LYS 50 -6.646 -2.348 -1.882 951 HZ2 LYS 50 HZ2 LYS 50 -6.271 -3.710 -2.819 952 HZ3 LYS 50 HZ3 LYS 50 -7.641 -2.786 -3.185 953 H ALA 51 HN ALA 51 -0.465 0.230 -1.172 954 HA ALA 51 HA ALA 51 1.867 -1.377 -1.053 955 HB1 ALA 51 HB1 ALA 51 1.645 1.620 -1.301 956 HB2 ALA 51 HB2 ALA 51 1.601 0.472 -2.638 957 HB3 ALA 51 HB3 ALA 51 3.067 0.645 -1.673 958 H GLY 52 HN GLY 52 0.337 0.769 1.215 959 HA2 GLY 52 HA2 GLY 52 0.764 0.649 3.549 960 HA3 GLY 52 HA1 GLY 52 2.372 0.031 3.195 961 H VAL 53 HN VAL 53 0.722 2.869 1.900 962 HA VAL 53 HA VAL 53 3.043 4.496 2.588 963 HB VAL 53 HB VAL 53 0.587 5.188 0.959 964 HG11 VAL 53 HG11 VAL 53 3.193 6.668 1.281 965 HG12 VAL 53 HG12 VAL 53 1.626 7.166 1.921 966 HG13 VAL 53 HG13 VAL 53 1.889 7.106 0.177 967 HG21 VAL 53 HG21 VAL 53 3.362 4.416 0.064 968 HG22 VAL 53 HG22 VAL 53 2.053 4.951 -0.990 969 HG23 VAL 53 HG23 VAL 53 1.904 3.437 -0.100 970 H LYS 54 HN LYS 54 3.068 5.640 4.413 971 HA LYS 54 HA LYS 54 0.583 6.086 5.867 972 HB2 LYS 54 HB2 LYS 54 3.437 6.684 6.671 973 HB3 LYS 54 HB1 LYS 54 2.030 6.818 7.712 974 HG2 LYS 54 HG2 LYS 54 1.659 4.383 7.454 975 HG3 LYS 54 HG1 LYS 54 3.156 4.293 6.521 976 HD2 LYS 54 HD2 LYS 54 4.349 5.277 8.483 977 HD3 LYS 54 HD1 LYS 54 2.847 5.144 9.398 978 HE2 LYS 54 HE2 LYS 54 4.355 2.858 8.133 979 HE3 LYS 54 HE1 LYS 54 4.359 3.270 9.845 980 HZ1 LYS 54 HZ1 LYS 54 2.841 1.480 9.451 981 HZ2 LYS 54 HZ2 LYS 54 2.024 2.355 8.252 982 HZ3 LYS 54 HZ3 LYS 54 1.943 2.857 9.871 983 H SER 55 HN SER 55 2.975 7.857 4.057 984 HA SER 55 HA SER 55 1.331 10.258 4.337 985 HB2 SER 55 HB2 SER 55 4.341 10.227 4.666 986 HB3 SER 55 HB1 SER 55 3.317 11.664 4.665 987 HG SER 55 HG SER 55 2.416 9.830 6.435 988 H VAL 56 HN VAL 56 1.117 11.420 2.512 989 HA VAL 56 HA VAL 56 2.226 10.344 0.086 990 HB VAL 56 HB VAL 56 0.904 12.183 -1.027 991 HG11 VAL 56 HG11 VAL 56 -0.544 10.302 0.833 992 HG12 VAL 56 HG12 VAL 56 0.062 9.920 -0.778 993 HG13 VAL 56 HG13 VAL 56 -1.246 11.087 -0.583 994 HG21 VAL 56 HG21 VAL 56 -0.804 13.309 0.317 995 HG22 VAL 56 HG22 VAL 56 0.822 13.768 0.824 996 HG23 VAL 56 HG23 VAL 56 -0.108 12.614 1.782 997 HA PRO 57 HA PRO 57 4.407 12.950 -2.494 998 HB2 PRO 57 HB2 PRO 57 5.253 14.710 -0.204 999 HB3 PRO 57 HB1 PRO 57 5.499 14.960 -1.942 1000 HG2 PRO 57 HG2 PRO 57 3.290 15.886 -0.513 1001 HG3 PRO 57 HG1 PRO 57 3.338 15.655 -2.270 1002 HD2 PRO 57 HD2 PRO 57 1.692 14.244 -0.451 1003 HD3 PRO 57 HD1 PRO 57 2.012 13.776 -2.139 1004 H ALA 58 HN ALA 58 5.128 10.920 -2.471 1005 HA ALA 58 HA ALA 58 7.446 10.308 -0.801 1006 HB1 ALA 58 HB1 ALA 58 5.522 9.418 0.420 1007 HB2 ALA 58 HB2 ALA 58 6.543 8.118 -0.197 1008 HB3 ALA 58 HB3 ALA 58 5.029 8.512 -1.013 1009 H LEU 59 HN LEU 59 8.272 8.009 -1.530 1010 HA LEU 59 HA LEU 59 7.934 7.621 -4.411 1011 HB2 LEU 59 HB2 LEU 59 9.797 9.177 -4.209 1012 HB3 LEU 59 HB1 LEU 59 10.580 8.129 -3.043 1013 HG LEU 59 HG LEU 59 10.813 6.400 -4.826 1014 HD11 LEU 59 HD11 LEU 59 10.510 7.069 -7.152 1015 HD12 LEU 59 HD12 LEU 59 9.842 8.614 -6.625 1016 HD13 LEU 59 HD13 LEU 59 8.985 7.114 -6.267 1017 HD21 LEU 59 HD21 LEU 59 12.654 7.896 -4.272 1018 HD22 LEU 59 HD22 LEU 59 12.046 9.085 -5.423 1019 HD23 LEU 59 HD23 LEU 59 12.637 7.525 -5.996 1020 H VAL 60 HN VAL 60 7.516 5.528 -4.676 1021 HA VAL 60 HA VAL 60 8.687 3.599 -2.782 1022 HB VAL 60 HB VAL 60 6.306 3.261 -4.619 1023 HG11 VAL 60 HG11 VAL 60 7.478 1.152 -4.272 1024 HG12 VAL 60 HG12 VAL 60 5.931 1.155 -3.425 1025 HG13 VAL 60 HG13 VAL 60 7.429 1.399 -2.526 1026 HG21 VAL 60 HG21 VAL 60 6.445 3.591 -1.625 1027 HG22 VAL 60 HG22 VAL 60 4.985 3.247 -2.552 1028 HG23 VAL 60 HG23 VAL 60 5.833 4.777 -2.778 1029 H ILE 61 HN ILE 61 10.532 2.800 -3.563 1030 HA ILE 61 HA ILE 61 10.886 2.545 -6.445 1031 HB ILE 61 HB ILE 61 12.901 2.067 -4.241 1032 HG12 ILE 61 HG12 ILE 61 12.500 4.463 -6.052 1033 HG13 ILE 61 HG11 ILE 61 12.136 4.411 -4.330 1034 HG21 ILE 61 HG21 ILE 61 13.435 0.857 -6.289 1035 HG22 ILE 61 HG22 ILE 61 14.558 2.197 -6.053 1036 HG23 ILE 61 HG23 ILE 61 13.251 2.337 -7.229 1037 HD11 ILE 61 HD11 ILE 61 14.494 4.087 -3.832 1038 HD12 ILE 61 HD12 ILE 61 14.238 5.553 -4.780 1039 HD13 ILE 61 HD13 ILE 61 14.867 4.099 -5.556 1040 H ASP 62 HN ASP 62 9.599 0.825 -6.936 1041 HA ASP 62 HA ASP 62 8.992 -1.335 -7.264 1042 HB2 ASP 62 HB2 ASP 62 11.312 -1.170 -8.276 1043 HB3 ASP 62 HB1 ASP 62 11.911 -1.959 -6.820 1044 H GLY 63 HN GLY 63 7.949 -1.096 -5.059 1045 HA2 GLY 63 HA2 GLY 63 7.174 -2.617 -3.440 1046 HA3 GLY 63 HA1 GLY 63 8.706 -3.469 -3.539 1047 H ALA 64 HN ALA 64 10.352 -1.098 -3.204 1048 HA ALA 64 HA ALA 64 10.198 -0.977 -0.311 1049 HB1 ALA 64 HB1 ALA 64 12.351 0.183 -0.459 1050 HB2 ALA 64 HB2 ALA 64 12.200 0.241 -2.215 1051 HB3 ALA 64 HB3 ALA 64 12.364 -1.311 -1.396 1052 H ALA 65 HN ALA 65 8.934 0.467 0.634 1053 HA ALA 65 HA ALA 65 8.110 2.845 -0.825 1054 HB1 ALA 65 HB1 ALA 65 6.396 3.069 0.885 1055 HB2 ALA 65 HB2 ALA 65 7.121 1.752 1.806 1056 HB3 ALA 65 HB3 ALA 65 6.404 1.433 0.228 1057 H PHE 66 HN PHE 66 9.037 4.739 -0.536 1058 HA PHE 66 HA PHE 66 10.043 5.441 2.139 1059 HB2 PHE 66 HB2 PHE 66 11.292 6.296 -0.485 1060 HB3 PHE 66 HB1 PHE 66 11.868 6.698 1.128 1061 HD1 PHE 66 HD1 PHE 66 12.683 4.807 2.609 1062 HD2 PHE 66 HD2 PHE 66 12.003 4.365 -1.567 1063 HE1 PHE 66 HE1 PHE 66 14.111 2.803 2.592 1064 HE2 PHE 66 HE2 PHE 66 13.427 2.362 -1.592 1065 HZ PHE 66 HZ PHE 66 14.482 1.578 0.487 1066 H HIS 67 HN HIS 67 9.855 7.697 2.653 1067 HA HIS 67 HA HIS 67 7.948 9.148 0.938 1068 HB2 HIS 67 HB2 HIS 67 8.360 9.407 3.932 1069 HB3 HIS 67 HB1 HIS 67 7.213 10.335 2.975 1070 HD1 HIS 67 HD1 HIS 67 6.627 7.333 1.438 1071 HD2 HIS 67 HD2 HIS 67 5.985 8.584 5.346 1072 HE1 HIS 67 HE1 HIS 67 4.851 5.808 2.384 1073 H ILE 68 HN ILE 68 8.431 11.265 0.366 1074 HA ILE 68 HA ILE 68 11.212 12.047 0.886 1075 HB ILE 68 HB ILE 68 9.282 13.146 -1.170 1076 HG12 ILE 68 HG12 ILE 68 11.615 11.240 -1.490 1077 HG13 ILE 68 HG11 ILE 68 9.914 10.801 -1.608 1078 HG21 ILE 68 HG21 ILE 68 10.955 14.781 -0.498 1079 HG22 ILE 68 HG22 ILE 68 11.275 14.211 -2.136 1080 HG23 ILE 68 HG23 ILE 68 12.240 13.609 -0.789 1081 HD11 ILE 68 HD11 ILE 68 11.377 12.685 -3.442 1082 HD12 ILE 68 HD12 ILE 68 9.679 12.228 -3.567 1083 HD13 ILE 68 HD13 ILE 68 10.938 11.015 -3.800 1084 H ASN 69 HN ASN 69 11.391 13.245 2.656 1085 HA ASN 69 HA ASN 69 10.895 14.643 4.380 1086 HB2 ASN 69 HB2 ASN 69 9.475 16.113 2.146 1087 HB3 ASN 69 HB1 ASN 69 9.535 16.732 3.790 1088 HD21 ASN 69 HD21 ASN 69 10.614 17.814 1.294 1089 HD22 ASN 69 HD22 ASN 69 12.302 18.046 1.575 1090 H PHE 70 HN PHE 70 8.490 15.984 5.041 1091 HA PHE 70 HA PHE 70 6.608 13.737 5.137 1092 HB2 PHE 70 HB2 PHE 70 7.365 14.793 7.315 1093 HB3 PHE 70 HB1 PHE 70 6.523 16.256 6.815 1094 HD1 PHE 70 HD1 PHE 70 4.091 16.336 6.769 1095 HD2 PHE 70 HD2 PHE 70 6.159 12.821 7.988 1096 HE1 PHE 70 HE1 PHE 70 2.008 15.449 7.732 1097 HE2 PHE 70 HE2 PHE 70 4.081 11.929 8.953 1098 HZ PHE 70 HZ PHE 70 2.002 13.243 8.827 1099 H GLY 71 HN GLY 71 5.618 13.965 3.131 1100 HA2 GLY 71 HA2 GLY 71 4.713 16.438 2.102 1101 HA3 GLY 71 HA1 GLY 71 4.161 14.843 1.596 1102 H ALA 72 HN ALA 72 2.357 13.919 2.563 1103 HA ALA 72 HA ALA 72 1.091 15.492 4.698 1104 HB1 ALA 72 HB1 ALA 72 -0.447 14.643 2.250 1105 HB2 ALA 72 HB2 ALA 72 0.047 16.291 2.632 1106 HB3 ALA 72 HB3 ALA 72 -1.105 15.452 3.671 1107 H GLY 73 HN GLY 73 0.434 14.215 6.330 1108 HA2 GLY 73 HA2 GLY 73 0.644 11.413 6.265 1109 HA3 GLY 73 HA1 GLY 73 -0.261 12.333 7.464 1110 H ILE 74 HN ILE 74 -0.777 9.787 5.749 1111 HA ILE 74 HA ILE 74 -2.909 10.425 3.998 1112 HB ILE 74 HB ILE 74 -1.593 8.281 3.955 1113 HG12 ILE 74 HG12 ILE 74 -4.581 7.849 4.114 1114 HG13 ILE 74 HG11 ILE 74 -3.790 8.657 2.765 1115 HG21 ILE 74 HG21 ILE 74 -3.384 7.550 6.266 1116 HG22 ILE 74 HG22 ILE 74 -1.636 7.764 6.329 1117 HG23 ILE 74 HG23 ILE 74 -2.329 6.438 5.395 1118 HD11 ILE 74 HD11 ILE 74 -3.306 5.819 3.646 1119 HD12 ILE 74 HD12 ILE 74 -2.530 6.628 2.283 1120 HD13 ILE 74 HD13 ILE 74 -4.268 6.329 2.259 1121 H ASP 75 HN ASP 75 -2.698 10.091 7.396 1122 HA ASP 75 HA ASP 75 -5.382 9.698 8.106 1123 HB2 ASP 75 HB2 ASP 75 -3.312 11.408 9.513 1124 HB3 ASP 75 HB1 ASP 75 -4.773 10.742 10.234 1125 H ASP 76 HN ASP 76 -3.533 12.620 7.390 1126 HA ASP 76 HA ASP 76 -5.787 14.381 7.723 1127 HB2 ASP 76 HB2 ASP 76 -3.022 14.838 6.579 1128 HB3 ASP 76 HB1 ASP 76 -4.222 16.106 6.789 1129 H LEU 77 HN LEU 77 -4.306 12.585 5.178 1130 HA LEU 77 HA LEU 77 -5.212 14.023 2.945 1131 HB2 LEU 77 HB2 LEU 77 -3.489 12.271 2.848 1132 HB3 LEU 77 HB1 LEU 77 -4.701 11.060 3.218 1133 HG LEU 77 HG LEU 77 -5.854 11.601 1.089 1134 HD11 LEU 77 HD11 LEU 77 -5.093 13.899 0.829 1135 HD12 LEU 77 HD12 LEU 77 -4.681 12.935 -0.589 1136 HD13 LEU 77 HD13 LEU 77 -3.437 13.336 0.596 1137 HD21 LEU 77 HD21 LEU 77 -4.209 10.528 -0.367 1138 HD22 LEU 77 HD22 LEU 77 -4.284 9.744 1.211 1139 HD23 LEU 77 HD23 LEU 77 -2.949 10.833 0.828 1140 H LYS 78 HN LYS 78 -6.708 11.395 4.795 1141 HA LYS 78 HA LYS 78 -9.056 11.388 3.118 1142 HB2 LYS 78 HB2 LYS 78 -8.558 10.054 5.785 1143 HB3 LYS 78 HB1 LYS 78 -9.954 9.778 4.753 1144 HG2 LYS 78 HG2 LYS 78 -8.396 8.967 2.986 1145 HG3 LYS 78 HG1 LYS 78 -7.088 9.088 4.166 1146 HD2 LYS 78 HD2 LYS 78 -8.327 7.548 5.645 1147 HD3 LYS 78 HD1 LYS 78 -9.563 7.381 4.398 1148 HE2 LYS 78 HE2 LYS 78 -7.825 6.526 2.857 1149 HE3 LYS 78 HE1 LYS 78 -6.660 6.601 4.178 1150 HZ1 LYS 78 HZ1 LYS 78 -7.496 4.385 3.995 1151 HZ2 LYS 78 HZ2 LYS 78 -9.098 4.915 4.049 1152 HZ3 LYS 78 HZ3 LYS 78 -8.117 5.058 5.425 1153 H GLY 79 HN GLY 79 -10.321 13.123 3.191 1154 HA2 GLY 79 HA2 GLY 79 -12.125 13.884 4.923 1155 HA3 GLY 79 HA1 GLY 79 -10.702 14.509 5.747 1156 H SER 80 HN SER 80 -9.472 15.000 3.038 1157 HA SER 80 HA SER 80 -10.851 17.532 2.497 1158 HB2 SER 80 HB2 SER 80 -8.043 16.691 1.726 1159 HB3 SER 80 HB1 SER 80 -8.742 18.302 1.556 1160 HG SER 80 HG SER 80 -8.776 17.142 4.102 Start of MODEL 5 1 H1 VAL 1 HT1 VAL 1 27.576 18.200 -11.996 2 H2 VAL 1 HT2 VAL 1 28.350 18.276 -13.500 3 H3 VAL 1 HT3 VAL 1 28.974 17.287 -12.278 4 HA VAL 1 HA VAL 1 26.367 16.922 -13.637 5 HB VAL 1 HB VAL 1 28.862 15.214 -13.768 6 HG11 VAL 1 HG11 VAL 1 27.658 13.967 -15.489 7 HG12 VAL 1 HG12 VAL 1 26.250 15.005 -15.265 8 HG13 VAL 1 HG13 VAL 1 26.778 13.945 -13.959 9 HG21 VAL 1 HG21 VAL 1 29.023 15.942 -16.110 10 HG22 VAL 1 HG22 VAL 1 29.196 17.293 -14.988 11 HG23 VAL 1 HG23 VAL 1 27.675 17.049 -15.849 12 H ALA 2 HN ALA 2 28.807 15.231 -11.665 13 HA ALA 2 HA ALA 2 26.738 13.715 -10.326 14 HB1 ALA 2 HB1 ALA 2 28.848 12.627 -10.890 15 HB2 ALA 2 HB2 ALA 2 28.593 12.640 -9.145 16 HB3 ALA 2 HB3 ALA 2 29.721 13.779 -9.879 17 H SER 3 HN SER 3 25.585 15.390 -9.338 18 HA SER 3 HA SER 3 26.687 17.372 -7.697 19 HB2 SER 3 HB2 SER 3 23.925 16.163 -7.460 20 HB3 SER 3 HB1 SER 3 24.428 17.785 -6.977 21 HG SER 3 HG SER 3 24.008 18.399 -8.938 22 H LYS 4 HN LYS 4 26.778 17.568 -5.450 23 HA LYS 4 HA LYS 4 27.724 15.219 -4.146 24 HB2 LYS 4 HB2 LYS 4 28.680 17.489 -3.820 25 HB3 LYS 4 HB1 LYS 4 27.200 17.968 -3.005 26 HG2 LYS 4 HG2 LYS 4 28.982 17.456 -1.425 27 HG3 LYS 4 HG1 LYS 4 27.617 16.349 -1.246 28 HD2 LYS 4 HD2 LYS 4 28.775 14.601 -2.352 29 HD3 LYS 4 HD1 LYS 4 30.039 15.697 -2.912 30 HE2 LYS 4 HE2 LYS 4 29.508 15.073 -0.015 31 HE3 LYS 4 HE1 LYS 4 30.695 14.223 -1.002 32 HZ1 LYS 4 HZ1 LYS 4 30.700 17.120 -0.327 33 HZ2 LYS 4 HZ2 LYS 4 31.798 16.374 -1.386 34 HZ3 LYS 4 HZ3 LYS 4 31.772 15.939 0.251 35 H ALA 5 HN ALA 5 26.187 13.730 -3.688 36 HA ALA 5 HA ALA 5 23.752 14.576 -2.305 37 HB1 ALA 5 HB1 ALA 5 23.511 12.981 -4.140 38 HB2 ALA 5 HB2 ALA 5 23.011 12.263 -2.608 39 HB3 ALA 5 HB3 ALA 5 24.578 11.851 -3.305 40 H ILE 6 HN ILE 6 24.112 14.939 -0.192 41 HA ILE 6 HA ILE 6 25.981 13.197 1.245 42 HB ILE 6 HB ILE 6 24.633 15.681 2.309 43 HG12 ILE 6 HG12 ILE 6 27.371 15.438 1.031 44 HG13 ILE 6 HG11 ILE 6 25.968 16.174 0.263 45 HG21 ILE 6 HG21 ILE 6 27.103 14.172 3.170 46 HG22 ILE 6 HG22 ILE 6 25.544 14.172 3.995 47 HG23 ILE 6 HG23 ILE 6 26.496 15.654 3.907 48 HD11 ILE 6 HD11 ILE 6 25.909 17.883 2.002 49 HD12 ILE 6 HD12 ILE 6 27.468 17.854 1.176 50 HD13 ILE 6 HD13 ILE 6 27.307 17.140 2.780 51 H PHE 7 HN PHE 7 25.208 11.521 2.306 52 HA PHE 7 HA PHE 7 22.369 11.464 3.016 53 HB2 PHE 7 HB2 PHE 7 23.226 9.636 1.611 54 HB3 PHE 7 HB1 PHE 7 24.407 9.231 2.849 55 HD1 PHE 7 HD2 PHE 7 20.721 9.648 2.449 56 HD2 PHE 7 HD1 PHE 7 23.914 7.530 4.300 57 HE1 PHE 7 HE2 PHE 7 19.100 8.112 3.481 58 HE2 PHE 7 HE1 PHE 7 22.299 5.989 5.333 59 HZ PHE 7 HZ PHE 7 19.889 6.279 4.924 60 H TYR 8 HN TYR 8 21.872 11.999 5.001 61 HA TYR 8 HA TYR 8 23.806 11.607 7.174 62 HB2 TYR 8 HB2 TYR 8 21.377 13.351 6.843 63 HB3 TYR 8 HB1 TYR 8 22.007 12.993 8.445 64 HD1 TYR 8 HD2 TYR 8 22.809 14.601 5.206 65 HD2 TYR 8 HD1 TYR 8 23.925 14.090 9.276 66 HE1 TYR 8 HE2 TYR 8 24.416 16.451 4.992 67 HE2 TYR 8 HE1 TYR 8 25.531 15.939 9.078 68 HH TYR 8 HH TYR 8 26.791 17.101 7.375 69 H HIS 9 HN HIS 9 23.570 9.840 8.424 70 HA HIS 9 HA HIS 9 20.849 8.968 9.041 71 HB2 HIS 9 HB2 HIS 9 21.226 6.686 8.522 72 HB3 HIS 9 HB1 HIS 9 21.740 7.601 7.115 73 HD2 HIS 9 HD2 HIS 9 24.665 7.887 6.999 74 HE1 HIS 9 HE1 HIS 9 25.154 4.245 9.100 75 HE2 HIS 9 HE2 HIS 9 26.242 5.891 7.510 76 H ALA 10 HN ALA 10 20.810 7.385 10.870 77 HA ALA 10 HA ALA 10 22.858 8.203 12.818 78 HB1 ALA 10 HB1 ALA 10 21.209 7.865 14.545 79 HB2 ALA 10 HB2 ALA 10 20.058 7.235 13.367 80 HB3 ALA 10 HB3 ALA 10 20.551 8.927 13.299 81 H GLY 11 HN GLY 11 21.950 5.579 10.985 82 HA2 GLY 11 HA2 GLY 11 23.042 3.508 11.003 83 HA3 GLY 11 HA1 GLY 11 23.558 3.816 12.651 84 H CYS 12 HN CYS 12 20.212 4.221 11.826 85 HA CYS 12 HA CYS 12 19.559 1.853 13.418 86 HB2 CYS 12 HB2 CYS 12 17.294 2.799 13.541 87 HB3 CYS 12 HB1 CYS 12 18.495 3.968 14.073 88 HG CYS 12 HG CYS 12 16.731 5.517 12.749 89 HA PRO 13 HA PRO 13 18.049 -0.787 10.198 90 HB2 PRO 13 HB2 PRO 13 15.241 -0.310 11.101 91 HB3 PRO 13 HB1 PRO 13 16.075 -1.833 10.773 92 HG2 PRO 13 HG2 PRO 13 15.682 -1.037 13.272 93 HG3 PRO 13 HG1 PRO 13 17.209 -1.803 12.798 94 HD2 PRO 13 HD2 PRO 13 16.620 1.063 13.355 95 HD3 PRO 13 HD1 PRO 13 18.099 0.132 13.664 96 H VAL 14 HN VAL 14 15.991 2.071 10.649 97 HA VAL 14 HA VAL 14 14.904 2.162 8.056 98 HB VAL 14 HB VAL 14 15.458 4.527 9.861 99 HG11 VAL 14 HG11 VAL 14 14.847 5.170 7.595 100 HG12 VAL 14 HG12 VAL 14 13.537 5.542 8.715 101 HG13 VAL 14 HG13 VAL 14 13.425 4.129 7.665 102 HG21 VAL 14 HG21 VAL 14 13.053 2.708 9.783 103 HG22 VAL 14 HG22 VAL 14 13.195 4.184 10.738 104 HG23 VAL 14 HG23 VAL 14 14.242 2.807 11.080 105 H CYS 15 HN CYS 15 17.917 3.360 9.390 106 HA CYS 15 HA CYS 15 18.662 4.973 7.166 107 HB2 CYS 15 HB2 CYS 15 20.366 3.702 9.317 108 HB3 CYS 15 HB1 CYS 15 20.905 4.947 8.197 109 HG CYS 15 HG CYS 15 18.236 5.562 10.215 110 H VAL 16 HN VAL 16 19.298 1.649 8.147 111 HA VAL 16 HA VAL 16 21.134 0.977 6.131 112 HB VAL 16 HB VAL 16 19.130 -0.870 7.442 113 HG11 VAL 16 HG11 VAL 16 21.793 -1.424 6.134 114 HG12 VAL 16 HG12 VAL 16 20.205 -1.866 5.505 115 HG13 VAL 16 HG13 VAL 16 20.804 -2.611 6.986 116 HG21 VAL 16 HG21 VAL 16 20.382 0.343 9.132 117 HG22 VAL 16 HG22 VAL 16 21.899 -0.089 8.346 118 HG23 VAL 16 HG23 VAL 16 20.896 -1.342 9.077 119 H SER 17 HN SER 17 17.601 0.716 6.277 120 HA SER 17 HA SER 17 17.195 -0.457 3.769 121 HB2 SER 17 HB2 SER 17 15.335 1.500 5.131 122 HB3 SER 17 HB1 SER 17 14.902 0.196 4.022 123 HG SER 17 HG SER 17 14.813 -1.080 5.678 124 H ALA 18 HN ALA 18 17.282 2.963 4.736 125 HA ALA 18 HA ALA 18 16.732 4.061 2.213 126 HB1 ALA 18 HB1 ALA 18 16.618 5.357 4.281 127 HB2 ALA 18 HB2 ALA 18 17.673 6.130 3.099 128 HB3 ALA 18 HB3 ALA 18 18.369 5.242 4.454 129 H GLU 19 HN GLU 19 19.771 3.100 3.731 130 HA GLU 19 HA GLU 19 21.494 4.036 1.701 131 HB2 GLU 19 HB2 GLU 19 22.396 3.498 3.850 132 HB3 GLU 19 HB1 GLU 19 21.781 1.852 3.768 133 HG2 GLU 19 HG2 GLU 19 23.330 1.384 1.924 134 HG3 GLU 19 HG1 GLU 19 23.959 3.026 2.052 135 H GLN 20 HN GLN 20 19.954 0.887 2.241 136 HA GLN 20 HA GLN 20 21.310 -0.298 0.002 137 HB2 GLN 20 HB2 GLN 20 19.103 -1.374 1.762 138 HB3 GLN 20 HB1 GLN 20 20.011 -2.313 0.583 139 HG2 GLN 20 HG2 GLN 20 21.128 -0.970 3.035 140 HG3 GLN 20 HG1 GLN 20 20.855 -2.698 2.816 141 HE21 GLN 20 HE21 GLN 20 23.304 -1.133 3.363 142 HE22 GLN 20 HE22 GLN 20 24.420 -1.586 2.120 143 H ALA 21 HN ALA 21 18.641 1.686 0.182 144 HA ALA 21 HA ALA 21 17.653 0.596 -2.371 145 HB1 ALA 21 HB1 ALA 21 16.015 1.967 -0.246 146 HB2 ALA 21 HB2 ALA 21 16.002 0.243 -0.620 147 HB3 ALA 21 HB3 ALA 21 15.421 1.408 -1.810 148 H VAL 22 HN VAL 22 17.380 3.628 -0.488 149 HA VAL 22 HA VAL 22 17.025 5.241 -2.779 150 HB VAL 22 HB VAL 22 17.990 6.104 -0.044 151 HG11 VAL 22 HG11 VAL 22 16.692 7.694 -2.258 152 HG12 VAL 22 HG12 VAL 22 18.383 7.789 -1.766 153 HG13 VAL 22 HG13 VAL 22 17.111 8.303 -0.657 154 HG21 VAL 22 HG21 VAL 22 15.871 4.906 0.094 155 HG22 VAL 22 HG22 VAL 22 15.186 5.954 -1.149 156 HG23 VAL 22 HG23 VAL 22 15.642 6.625 0.416 157 H ALA 23 HN ALA 23 19.872 4.653 -0.730 158 HA ALA 23 HA ALA 23 21.565 6.324 -2.351 159 HB1 ALA 23 HB1 ALA 23 21.933 6.075 0.063 160 HB2 ALA 23 HB2 ALA 23 23.357 5.618 -0.872 161 HB3 ALA 23 HB3 ALA 23 22.318 4.372 -0.180 162 H ASN 24 HN ASN 24 20.254 3.427 -2.983 163 HA ASN 24 HA ASN 24 22.592 2.469 -4.485 164 HB2 ASN 24 HB2 ASN 24 21.468 0.836 -2.965 165 HB3 ASN 24 HB1 ASN 24 19.994 1.018 -3.911 166 HD21 ASN 24 HD21 ASN 24 23.243 -0.217 -3.870 167 HD22 ASN 24 HD22 ASN 24 23.082 -1.256 -5.239 168 H ALA 25 HN ALA 25 19.340 3.671 -4.709 169 HA ALA 25 HA ALA 25 19.020 3.283 -7.513 170 HB1 ALA 25 HB1 ALA 25 17.643 5.237 -5.671 171 HB2 ALA 25 HB2 ALA 25 17.096 3.600 -6.036 172 HB3 ALA 25 HB3 ALA 25 17.132 4.824 -7.307 173 H ILE 26 HN ILE 26 20.268 5.836 -5.465 174 HA ILE 26 HA ILE 26 21.109 7.346 -7.841 175 HB ILE 26 HB ILE 26 21.228 8.203 -4.939 176 HG12 ILE 26 HG12 ILE 26 19.234 9.014 -7.068 177 HG13 ILE 26 HG11 ILE 26 18.897 7.880 -5.764 178 HG21 ILE 26 HG21 ILE 26 22.858 9.320 -6.360 179 HG22 ILE 26 HG22 ILE 26 21.589 10.443 -5.872 180 HG23 ILE 26 HG23 ILE 26 21.584 9.760 -7.498 181 HD11 ILE 26 HD11 ILE 26 19.613 10.785 -5.445 182 HD12 ILE 26 HD12 ILE 26 19.298 9.654 -4.129 183 HD13 ILE 26 HD13 ILE 26 18.010 10.074 -5.259 184 H ASP 27 HN ASP 27 22.885 6.149 -8.484 185 HA ASP 27 HA ASP 27 24.879 5.438 -6.479 186 HB2 ASP 27 HB2 ASP 27 25.828 3.970 -8.134 187 HB3 ASP 27 HB1 ASP 27 24.087 3.726 -8.117 188 HA PRO 28 HA PRO 28 27.701 8.628 -7.119 189 HB2 PRO 28 HB2 PRO 28 30.102 7.293 -7.381 190 HB3 PRO 28 HB1 PRO 28 29.286 7.624 -5.851 191 HG2 PRO 28 HG2 PRO 28 29.282 5.132 -7.502 192 HG3 PRO 28 HG1 PRO 28 29.380 5.311 -5.739 193 HD2 PRO 28 HD2 PRO 28 27.094 4.610 -6.940 194 HD3 PRO 28 HD1 PRO 28 27.100 5.687 -5.527 195 H SER 29 HN SER 29 27.431 6.301 -9.638 196 HA SER 29 HA SER 29 29.320 7.438 -11.438 197 HB2 SER 29 HB2 SER 29 26.859 5.941 -12.306 198 HB3 SER 29 HB1 SER 29 28.464 5.942 -13.037 199 HG SER 29 HG SER 29 27.445 4.423 -10.989 200 H LYS 30 HN LYS 30 25.943 8.014 -10.703 201 HA LYS 30 HA LYS 30 25.816 10.084 -12.780 202 HB2 LYS 30 HB2 LYS 30 23.987 8.352 -12.578 203 HB3 LYS 30 HB1 LYS 30 23.570 9.070 -11.029 204 HG2 LYS 30 HG2 LYS 30 23.139 11.212 -12.176 205 HG3 LYS 30 HG1 LYS 30 23.472 10.422 -13.718 206 HD2 LYS 30 HD2 LYS 30 21.627 8.855 -13.300 207 HD3 LYS 30 HD1 LYS 30 21.288 9.670 -11.774 208 HE2 LYS 30 HE2 LYS 30 19.742 10.492 -13.394 209 HE3 LYS 30 HE1 LYS 30 20.910 11.772 -13.071 210 HZ1 LYS 30 HZ1 LYS 30 20.755 10.006 -15.452 211 HZ2 LYS 30 HZ2 LYS 30 22.117 10.952 -15.105 212 HZ3 LYS 30 HZ3 LYS 30 20.625 11.698 -15.394 213 H TYR 31 HN TYR 31 25.181 9.578 -9.320 214 HA TYR 31 HA TYR 31 26.020 12.350 -8.838 215 HB2 TYR 31 HB2 TYR 31 23.575 11.025 -7.639 216 HB3 TYR 31 HB1 TYR 31 24.262 12.539 -7.065 217 HD1 TYR 31 HD1 TYR 31 24.317 14.511 -8.650 218 HD2 TYR 31 HD2 TYR 31 22.082 10.987 -9.457 219 HE1 TYR 31 HE1 TYR 31 22.968 15.751 -10.287 220 HE2 TYR 31 HE2 TYR 31 20.728 12.218 -11.099 221 HH TYR 31 HH TYR 31 20.073 14.552 -11.570 222 H THR 32 HN THR 32 27.542 12.456 -7.294 223 HA THR 32 HA THR 32 28.402 9.954 -6.142 224 HB THR 32 HB THR 32 29.650 12.686 -5.815 225 HG1 THR 32 HG1 THR 32 29.370 11.150 -8.001 226 HG21 THR 32 HG21 THR 32 30.469 11.000 -4.237 227 HG22 THR 32 HG22 THR 32 31.705 11.389 -5.433 228 HG23 THR 32 HG23 THR 32 30.782 9.892 -5.573 229 H VAL 33 HN VAL 33 28.012 9.269 -4.150 230 HA VAL 33 HA VAL 33 26.463 11.036 -2.400 231 HB VAL 33 HB VAL 33 26.649 8.019 -2.346 232 HG11 VAL 33 HG11 VAL 33 24.653 8.138 -0.939 233 HG12 VAL 33 HG12 VAL 33 24.720 9.900 -0.984 234 HG13 VAL 33 HG13 VAL 33 26.009 8.987 -0.198 235 HG21 VAL 33 HG21 VAL 33 24.417 8.048 -3.378 236 HG22 VAL 33 HG22 VAL 33 25.647 8.753 -4.428 237 HG23 VAL 33 HG23 VAL 33 24.533 9.800 -3.549 238 H GLU 34 HN GLU 34 27.084 11.535 -0.421 239 HA GLU 34 HA GLU 34 29.555 10.359 0.681 240 HB2 GLU 34 HB2 GLU 34 29.696 12.768 0.339 241 HB3 GLU 34 HB1 GLU 34 28.185 13.011 1.201 242 HG2 GLU 34 HG2 GLU 34 29.969 13.648 2.636 243 HG3 GLU 34 HG1 GLU 34 29.286 12.144 3.252 244 H ILE 35 HN ILE 35 29.488 9.433 2.726 245 HA ILE 35 HA ILE 35 26.782 9.077 3.835 246 HB ILE 35 HB ILE 35 29.210 7.304 4.158 247 HG12 ILE 35 HG12 ILE 35 28.311 7.207 1.886 248 HG13 ILE 35 HG11 ILE 35 27.977 5.709 2.745 249 HG21 ILE 35 HG21 ILE 35 26.365 6.894 5.067 250 HG22 ILE 35 HG22 ILE 35 27.756 7.213 6.104 251 HG23 ILE 35 HG23 ILE 35 27.665 5.709 5.188 252 HD11 ILE 35 HD11 ILE 35 26.015 7.947 2.281 253 HD12 ILE 35 HD12 ILE 35 25.683 6.435 3.128 254 HD13 ILE 35 HD13 ILE 35 26.075 6.414 1.408 255 H VAL 36 HN VAL 36 26.380 10.170 5.652 256 HA VAL 36 HA VAL 36 28.638 10.723 7.472 257 HB VAL 36 HB VAL 36 26.076 12.310 7.186 258 HG11 VAL 36 HG11 VAL 36 26.965 12.361 9.457 259 HG12 VAL 36 HG12 VAL 36 27.176 13.924 8.668 260 HG13 VAL 36 HG13 VAL 36 28.548 12.830 8.839 261 HG21 VAL 36 HG21 VAL 36 27.506 12.611 5.247 262 HG22 VAL 36 HG22 VAL 36 28.886 12.951 6.292 263 HG23 VAL 36 HG23 VAL 36 27.520 14.066 6.244 264 H HIS 37 HN HIS 37 28.583 9.758 9.373 265 HA HIS 37 HA HIS 37 26.113 8.398 10.198 266 HB2 HIS 37 HB2 HIS 37 28.435 7.242 9.936 267 HB3 HIS 37 HB1 HIS 37 28.810 8.007 11.473 268 HD2 HIS 37 HD2 HIS 37 27.268 4.863 10.135 269 HE1 HIS 37 HE1 HIS 37 25.992 5.200 14.153 270 HE2 HIS 37 HE2 HIS 37 26.066 3.692 12.113 271 H LEU 38 HN LEU 38 24.901 9.448 11.625 272 HA LEU 38 HA LEU 38 26.051 11.550 13.273 273 HB2 LEU 38 HB2 LEU 38 23.196 10.613 12.978 274 HB3 LEU 38 HB1 LEU 38 23.710 12.022 13.884 275 HG LEU 38 HG LEU 38 23.973 11.657 10.898 276 HD11 LEU 38 HD11 LEU 38 21.676 12.013 11.587 277 HD12 LEU 38 HD12 LEU 38 22.308 13.454 10.790 278 HD13 LEU 38 HD13 LEU 38 22.161 13.408 12.547 279 HD21 LEU 38 HD21 LEU 38 24.640 14.038 10.929 280 HD22 LEU 38 HD22 LEU 38 25.799 12.985 11.738 281 HD23 LEU 38 HD23 LEU 38 24.690 13.970 12.690 282 H GLY 39 HN GLY 39 25.542 8.266 13.597 283 HA2 GLY 39 HA2 GLY 39 24.811 8.380 16.427 284 HA3 GLY 39 HA1 GLY 39 24.911 6.931 15.438 285 H THR 40 HN THR 40 27.349 9.451 15.794 286 HA THR 40 HA THR 40 28.969 7.801 17.535 287 HB THR 40 HB THR 40 29.993 8.536 14.779 288 HG1 THR 40 HG1 THR 40 28.630 6.395 15.665 289 HG21 THR 40 HG21 THR 40 31.996 7.275 15.424 290 HG22 THR 40 HG22 THR 40 31.326 7.030 17.036 291 HG23 THR 40 HG23 THR 40 31.738 8.655 16.491 292 H ASP 41 HN ASP 41 29.563 10.497 15.258 293 HA ASP 41 HA ASP 41 30.816 11.989 17.419 294 HB2 ASP 41 HB2 ASP 41 32.042 12.045 15.371 295 HB3 ASP 41 HB1 ASP 41 30.608 12.485 14.446 296 H LYS 42 HN LYS 42 30.033 13.799 18.329 297 HA LYS 42 HA LYS 42 27.202 14.282 18.003 298 HB2 LYS 42 HB2 LYS 42 29.225 15.488 19.898 299 HB3 LYS 42 HB1 LYS 42 27.495 15.799 19.946 300 HG2 LYS 42 HG2 LYS 42 27.078 13.433 20.387 301 HG3 LYS 42 HG1 LYS 42 28.815 13.122 20.342 302 HD2 LYS 42 HD2 LYS 42 29.150 14.580 22.252 303 HD3 LYS 42 HD1 LYS 42 27.433 14.986 22.267 304 HE2 LYS 42 HE2 LYS 42 26.899 12.624 22.704 305 HE3 LYS 42 HE1 LYS 42 28.622 12.252 22.733 306 HZ1 LYS 42 HZ1 LYS 42 27.642 12.546 24.957 307 HZ2 LYS 42 HZ2 LYS 42 27.285 14.160 24.578 308 HZ3 LYS 42 HZ3 LYS 42 28.898 13.639 24.646 309 H ALA 43 HN ALA 43 30.176 15.730 16.993 310 HA ALA 43 HA ALA 43 29.175 18.374 16.596 311 HB1 ALA 43 HB1 ALA 43 31.527 17.008 15.293 312 HB2 ALA 43 HB2 ALA 43 31.569 17.933 16.793 313 HB3 ALA 43 HB3 ALA 43 31.193 18.739 15.269 314 H ARG 44 HN ARG 44 29.239 15.439 14.708 315 HA ARG 44 HA ARG 44 28.447 16.297 12.206 316 HB2 ARG 44 HB2 ARG 44 27.341 13.912 13.703 317 HB3 ARG 44 HB1 ARG 44 27.302 14.146 11.964 318 HG2 ARG 44 HG2 ARG 44 29.894 14.029 13.455 319 HG3 ARG 44 HG1 ARG 44 29.048 12.563 12.966 320 HD2 ARG 44 HD2 ARG 44 30.559 12.951 11.239 321 HD3 ARG 44 HD1 ARG 44 29.034 13.574 10.619 322 HE ARG 44 HE ARG 44 30.002 15.819 11.468 323 HH11 ARG 44 HH11 ARG 44 31.877 13.184 10.128 324 HH12 ARG 44 HH12 ARG 44 33.087 14.223 9.447 325 HH21 ARG 44 HH21 ARG 44 31.581 17.190 10.571 326 HH22 ARG 44 HH22 ARG 44 32.926 16.502 9.692 327 H ILE 45 HN ILE 45 26.501 15.822 15.116 328 HA ILE 45 HA ILE 45 23.969 16.340 13.983 329 HB ILE 45 HB ILE 45 24.875 16.746 16.841 330 HG12 ILE 45 HG12 ILE 45 23.521 14.373 15.536 331 HG13 ILE 45 HG11 ILE 45 25.217 14.443 15.999 332 HG21 ILE 45 HG21 ILE 45 22.490 16.523 17.403 333 HG22 ILE 45 HG22 ILE 45 22.100 16.478 15.683 334 HG23 ILE 45 HG23 ILE 45 22.805 17.933 16.390 335 HD11 ILE 45 HD11 ILE 45 22.871 14.610 17.876 336 HD12 ILE 45 HD12 ILE 45 24.572 14.667 18.339 337 HD13 ILE 45 HD13 ILE 45 23.901 13.203 17.619 338 H ALA 46 HN ALA 46 26.296 18.423 15.661 339 HA ALA 46 HA ALA 46 24.813 20.792 15.654 340 HB1 ALA 46 HB1 ALA 46 26.966 21.936 15.915 341 HB2 ALA 46 HB2 ALA 46 27.807 20.448 15.480 342 HB3 ALA 46 HB3 ALA 46 26.853 20.521 16.962 343 H GLU 47 HN GLU 47 27.070 19.477 13.261 344 HA GLU 47 HA GLU 47 26.952 21.571 11.396 345 HB2 GLU 47 HB2 GLU 47 27.365 18.610 10.968 346 HB3 GLU 47 HB1 GLU 47 27.653 19.842 9.750 347 HG2 GLU 47 HG2 GLU 47 29.435 20.782 11.007 348 HG3 GLU 47 HG1 GLU 47 29.055 19.775 12.404 349 H ALA 48 HN ALA 48 24.937 18.705 11.821 350 HA ALA 48 HA ALA 48 23.366 19.003 9.508 351 HB1 ALA 48 HB1 ALA 48 22.626 17.730 12.141 352 HB2 ALA 48 HB2 ALA 48 23.444 16.931 10.798 353 HB3 ALA 48 HB3 ALA 48 21.786 17.498 10.608 354 H GLU 49 HN GLU 49 23.113 20.405 12.730 355 HA GLU 49 HA GLU 49 20.555 21.601 12.268 356 HB2 GLU 49 HB2 GLU 49 22.652 22.268 14.338 357 HB3 GLU 49 HB1 GLU 49 21.000 22.868 14.333 358 HG2 GLU 49 HG2 GLU 49 20.269 20.446 14.423 359 HG3 GLU 49 HG1 GLU 49 21.952 20.060 14.779 360 H LYS 50 HN LYS 50 23.714 22.360 11.302 361 HA LYS 50 HA LYS 50 23.198 25.192 10.925 362 HB2 LYS 50 HB2 LYS 50 25.502 23.452 10.013 363 HB3 LYS 50 HB1 LYS 50 25.424 25.198 9.823 364 HG2 LYS 50 HG2 LYS 50 25.475 25.518 12.199 365 HG3 LYS 50 HG1 LYS 50 25.356 23.779 12.477 366 HD2 LYS 50 HD2 LYS 50 27.524 23.462 11.380 367 HD3 LYS 50 HD1 LYS 50 27.641 25.203 11.113 368 HE2 LYS 50 HE2 LYS 50 27.427 23.886 13.820 369 HE3 LYS 50 HE1 LYS 50 28.938 24.410 13.078 370 HZ1 LYS 50 HZ1 LYS 50 28.110 26.677 13.065 371 HZ2 LYS 50 HZ2 LYS 50 28.094 26.051 14.642 372 HZ3 LYS 50 HZ3 LYS 50 26.646 26.179 13.766 373 H ALA 51 HN ALA 51 23.420 22.243 9.006 374 HA ALA 51 HA ALA 51 22.890 23.501 6.502 375 HB1 ALA 51 HB1 ALA 51 22.546 21.225 5.665 376 HB2 ALA 51 HB2 ALA 51 22.576 20.614 7.320 377 HB3 ALA 51 HB3 ALA 51 24.021 21.346 6.625 378 H GLY 52 HN GLY 52 20.916 22.017 9.006 379 HA2 GLY 52 HA2 GLY 52 18.712 22.937 9.391 380 HA3 GLY 52 HA1 GLY 52 18.555 23.156 7.656 381 H VAL 53 HN VAL 53 19.717 20.290 9.359 382 HA VAL 53 HA VAL 53 17.778 18.646 7.985 383 HB VAL 53 HB VAL 53 19.821 17.891 10.092 384 HG11 VAL 53 HG11 VAL 53 18.009 16.273 9.983 385 HG12 VAL 53 HG12 VAL 53 19.484 15.592 9.297 386 HG13 VAL 53 HG13 VAL 53 18.197 16.156 8.233 387 HG21 VAL 53 HG21 VAL 53 19.937 17.653 7.087 388 HG22 VAL 53 HG22 VAL 53 21.146 17.042 8.217 389 HG23 VAL 53 HG23 VAL 53 20.866 18.777 8.078 390 H LYS 54 HN LYS 54 15.914 17.857 8.816 391 HA LYS 54 HA LYS 54 15.187 18.779 11.507 392 HB2 LYS 54 HB2 LYS 54 13.453 17.879 9.199 393 HB3 LYS 54 HB1 LYS 54 12.848 18.401 10.765 394 HG2 LYS 54 HG2 LYS 54 13.755 20.618 10.407 395 HG3 LYS 54 HG1 LYS 54 14.451 20.104 8.868 396 HD2 LYS 54 HD2 LYS 54 12.224 19.680 7.983 397 HD3 LYS 54 HD1 LYS 54 11.506 20.119 9.534 398 HE2 LYS 54 HE2 LYS 54 13.183 21.978 7.854 399 HE3 LYS 54 HE1 LYS 54 11.421 21.920 7.804 400 HZ1 LYS 54 HZ1 LYS 54 13.009 22.497 10.254 401 HZ2 LYS 54 HZ2 LYS 54 11.324 22.578 10.092 402 HZ3 LYS 54 HZ3 LYS 54 12.310 23.682 9.259 403 H SER 55 HN SER 55 15.265 15.904 9.460 404 HA SER 55 HA SER 55 15.121 14.251 11.856 405 HB2 SER 55 HB2 SER 55 13.233 13.884 9.515 406 HB3 SER 55 HB1 SER 55 13.360 12.816 10.914 407 HG SER 55 HG SER 55 13.020 15.333 11.757 408 H VAL 56 HN VAL 56 15.558 11.929 11.323 409 HA VAL 56 HA VAL 56 17.269 11.689 8.936 410 HB VAL 56 HB VAL 56 18.684 10.093 10.200 411 HG11 VAL 56 HG11 VAL 56 19.387 12.402 9.967 412 HG12 VAL 56 HG12 VAL 56 19.865 11.772 11.544 413 HG13 VAL 56 HG13 VAL 56 18.473 12.848 11.409 414 HG21 VAL 56 HG21 VAL 56 18.545 10.038 12.652 415 HG22 VAL 56 HG22 VAL 56 17.087 9.393 11.897 416 HG23 VAL 56 HG23 VAL 56 17.080 11.017 12.584 417 HA PRO 57 HA PRO 57 18.538 9.912 8.203 418 HB2 PRO 57 HB2 PRO 57 18.385 8.667 5.819 419 HB3 PRO 57 HB1 PRO 57 18.700 7.792 7.322 420 HG2 PRO 57 HG2 PRO 57 16.149 8.068 5.790 421 HG3 PRO 57 HG1 PRO 57 16.826 6.640 6.593 422 HD2 PRO 57 HD2 PRO 57 14.857 8.214 7.672 423 HD3 PRO 57 HD1 PRO 57 15.989 7.246 8.636 424 H ALA 58 HN ALA 58 19.328 11.290 6.570 425 HA ALA 58 HA ALA 58 17.257 12.771 5.092 426 HB1 ALA 58 HB1 ALA 58 19.665 13.964 6.464 427 HB2 ALA 58 HB2 ALA 58 18.003 14.055 7.049 428 HB3 ALA 58 HB3 ALA 58 18.449 14.842 5.534 429 H LEU 59 HN LEU 59 17.989 13.813 3.167 430 HA LEU 59 HA LEU 59 20.496 12.770 2.054 431 HB2 LEU 59 HB2 LEU 59 18.666 11.306 1.316 432 HB3 LEU 59 HB1 LEU 59 17.793 12.694 0.698 433 HG LEU 59 HG LEU 59 19.636 13.070 -0.934 434 HD11 LEU 59 HD11 LEU 59 21.250 11.277 -1.319 435 HD12 LEU 59 HD12 LEU 59 20.637 10.420 0.097 436 HD13 LEU 59 HD13 LEU 59 21.439 11.979 0.288 437 HD21 LEU 59 HD21 LEU 59 19.027 11.203 -2.393 438 HD22 LEU 59 HD22 LEU 59 17.615 11.864 -1.568 439 HD23 LEU 59 HD23 LEU 59 18.334 10.352 -1.013 440 H VAL 60 HN VAL 60 21.607 14.614 1.813 441 HA VAL 60 HA VAL 60 20.256 17.030 0.889 442 HB VAL 60 HB VAL 60 23.148 16.633 1.682 443 HG11 VAL 60 HG11 VAL 60 23.254 19.062 1.806 444 HG12 VAL 60 HG12 VAL 60 21.573 19.175 1.285 445 HG13 VAL 60 HG13 VAL 60 22.796 18.542 0.184 446 HG21 VAL 60 HG21 VAL 60 20.843 17.755 3.272 447 HG22 VAL 60 HG22 VAL 60 22.530 17.736 3.784 448 HG23 VAL 60 HG23 VAL 60 21.659 16.219 3.564 449 H ILE 61 HN ILE 61 19.963 17.155 -1.243 450 HA ILE 61 HA ILE 61 21.916 15.940 -3.053 451 HB ILE 61 HB ILE 61 19.214 17.162 -3.652 452 HG12 ILE 61 HG12 ILE 61 19.075 15.084 -2.331 453 HG13 ILE 61 HG11 ILE 61 18.457 14.855 -3.964 454 HG21 ILE 61 HG21 ILE 61 20.714 17.324 -5.564 455 HG22 ILE 61 HG22 ILE 61 19.449 16.132 -5.863 456 HG23 ILE 61 HG23 ILE 61 21.076 15.601 -5.441 457 HD11 ILE 61 HD11 ILE 61 21.167 14.012 -2.964 458 HD12 ILE 61 HD12 ILE 61 20.557 13.790 -4.603 459 HD13 ILE 61 HD13 ILE 61 19.784 12.957 -3.255 460 H ASP 62 HN ASP 62 23.624 17.328 -3.077 461 HA ASP 62 HA ASP 62 24.901 18.933 -4.051 462 HB2 ASP 62 HB2 ASP 62 23.363 18.736 -5.988 463 HB3 ASP 62 HB1 ASP 62 22.353 19.992 -5.285 464 H GLY 63 HN GLY 63 22.177 19.746 -2.157 465 HA2 GLY 63 HA2 GLY 63 23.354 21.605 -0.528 466 HA3 GLY 63 HA1 GLY 63 22.717 22.544 -1.871 467 H ALA 64 HN ALA 64 20.471 20.646 -2.238 468 HA ALA 64 HA ALA 64 18.696 21.818 -0.273 469 HB1 ALA 64 HB1 ALA 64 18.089 19.927 -2.547 470 HB2 ALA 64 HB2 ALA 64 18.015 21.687 -2.623 471 HB3 ALA 64 HB3 ALA 64 16.905 20.802 -1.577 472 H ALA 65 HN ALA 65 17.842 20.820 1.459 473 HA ALA 65 HA ALA 65 18.898 18.153 2.058 474 HB1 ALA 65 HB1 ALA 65 18.385 18.671 4.385 475 HB2 ALA 65 HB2 ALA 65 17.638 20.191 3.891 476 HB3 ALA 65 HB3 ALA 65 19.368 19.943 3.657 477 H PHE 66 HN PHE 66 17.592 16.549 1.456 478 HA PHE 66 HA PHE 66 14.711 16.800 1.990 479 HB2 PHE 66 HB2 PHE 66 16.222 14.863 0.219 480 HB3 PHE 66 HB1 PHE 66 14.485 14.814 0.498 481 HD1 PHE 66 HD1 PHE 66 13.072 16.718 -0.273 482 HD2 PHE 66 HD2 PHE 66 17.168 16.335 -1.355 483 HE1 PHE 66 HE1 PHE 66 12.726 18.298 -2.124 484 HE2 PHE 66 HE2 PHE 66 16.831 17.916 -3.207 485 HZ PHE 66 HZ PHE 66 14.608 18.900 -3.594 486 H HIS 67 HN HIS 67 13.656 14.781 2.787 487 HA HIS 67 HA HIS 67 15.432 13.333 4.642 488 HB2 HIS 67 HB2 HIS 67 12.563 14.186 5.121 489 HB3 HIS 67 HB1 HIS 67 13.556 13.252 6.235 490 HD1 HIS 67 HD1 HIS 67 13.212 16.737 4.820 491 HD2 HIS 67 HD2 HIS 67 15.307 14.697 7.771 492 HE1 HIS 67 HE1 HIS 67 14.331 18.502 6.246 493 H ILE 68 HN ILE 68 14.939 11.149 5.034 494 HA ILE 68 HA ILE 68 13.190 9.937 2.990 495 HB ILE 68 HB ILE 68 15.568 8.697 4.389 496 HG12 ILE 68 HG12 ILE 68 16.255 10.416 2.781 497 HG13 ILE 68 HG11 ILE 68 16.676 8.810 2.199 498 HG21 ILE 68 HG21 ILE 68 13.868 7.050 3.833 499 HG22 ILE 68 HG22 ILE 68 15.280 6.856 2.793 500 HG23 ILE 68 HG23 ILE 68 13.826 7.634 2.169 501 HD11 ILE 68 HD11 ILE 68 14.754 8.837 0.708 502 HD12 ILE 68 HD12 ILE 68 15.811 10.218 0.414 503 HD13 ILE 68 HD13 ILE 68 14.305 10.434 1.306 504 H ASN 69 HN ASN 69 11.292 9.574 3.950 505 HA ASN 69 HA ASN 69 9.708 8.774 5.371 506 HB2 ASN 69 HB2 ASN 69 12.037 7.097 6.301 507 HB3 ASN 69 HB1 ASN 69 10.458 6.991 7.071 508 HD21 ASN 69 HD21 ASN 69 11.936 4.974 5.624 509 HD22 ASN 69 HD22 ASN 69 10.908 4.454 4.335 510 H PHE 70 HN PHE 70 9.607 8.254 8.039 511 HA PHE 70 HA PHE 70 10.891 10.590 9.289 512 HB2 PHE 70 HB2 PHE 70 8.435 10.929 8.947 513 HB3 PHE 70 HB1 PHE 70 8.140 9.524 9.967 514 HD1 PHE 70 HD2 PHE 70 9.921 12.795 10.024 515 HD2 PHE 70 HD1 PHE 70 7.784 9.844 12.224 516 HE1 PHE 70 HE2 PHE 70 9.988 14.238 12.015 517 HE2 PHE 70 HE1 PHE 70 7.848 11.283 14.220 518 HZ PHE 70 HZ PHE 70 8.952 13.482 14.118 519 H GLY 71 HN GLY 71 12.586 9.252 9.967 520 HA2 GLY 71 HA2 GLY 71 11.996 6.930 11.606 521 HA3 GLY 71 HA1 GLY 71 13.590 7.511 11.145 522 H ALA 72 HN ALA 72 14.219 9.643 12.171 523 HA ALA 72 HA ALA 72 13.096 9.940 14.860 524 HB1 ALA 72 HB1 ALA 72 15.285 9.913 15.897 525 HB2 ALA 72 HB2 ALA 72 16.051 9.615 14.337 526 HB3 ALA 72 HB3 ALA 72 15.001 8.391 15.054 527 H GLY 73 HN GLY 73 13.320 11.987 15.745 528 HA2 GLY 73 HA2 GLY 73 13.925 14.093 13.822 529 HA3 GLY 73 HA1 GLY 73 13.183 14.301 15.405 530 H ILE 74 HN ILE 74 15.522 15.617 14.038 531 HA ILE 74 HA ILE 74 17.900 14.666 15.281 532 HB ILE 74 HB ILE 74 17.900 15.932 13.155 533 HG12 ILE 74 HG12 ILE 74 19.489 17.238 15.376 534 HG13 ILE 74 HG11 ILE 74 19.945 15.774 14.512 535 HG21 ILE 74 HG21 ILE 74 17.670 18.377 13.198 536 HG22 ILE 74 HG22 ILE 74 17.204 18.295 14.897 537 HG23 ILE 74 HG23 ILE 74 16.176 17.564 13.664 538 HD11 ILE 74 HD11 ILE 74 21.172 17.696 13.695 539 HD12 ILE 74 HD12 ILE 74 19.659 18.515 13.312 540 HD13 ILE 74 HD13 ILE 74 20.112 17.050 12.442 541 H ASP 75 HN ASP 75 15.395 16.858 16.256 542 HA ASP 75 HA ASP 75 17.004 18.285 18.157 543 HB2 ASP 75 HB2 ASP 75 14.853 19.093 16.978 544 HB3 ASP 75 HB1 ASP 75 13.998 18.168 18.208 545 H ASP 76 HN ASP 76 14.856 15.517 18.224 546 HA ASP 76 HA ASP 76 14.701 15.243 21.046 547 HB2 ASP 76 HB2 ASP 76 14.442 13.097 18.924 548 HB3 ASP 76 HB1 ASP 76 13.913 12.963 20.595 549 H LEU 77 HN LEU 77 17.089 14.444 18.695 550 HA LEU 77 HA LEU 77 18.360 12.316 20.071 551 HB2 LEU 77 HB2 LEU 77 19.437 14.180 17.959 552 HB3 LEU 77 HB1 LEU 77 20.230 12.714 18.503 553 HG LEU 77 HG LEU 77 17.556 12.847 17.105 554 HD11 LEU 77 HD11 LEU 77 19.418 13.382 15.625 555 HD12 LEU 77 HD12 LEU 77 18.728 11.807 15.236 556 HD13 LEU 77 HD13 LEU 77 20.247 11.908 16.125 557 HD21 LEU 77 HD21 LEU 77 17.706 10.416 17.017 558 HD22 LEU 77 HD22 LEU 77 17.693 10.985 18.686 559 HD23 LEU 77 HD23 LEU 77 19.206 10.465 17.943 560 H LYS 78 HN LYS 78 18.358 15.668 20.634 561 HA LYS 78 HA LYS 78 20.962 16.019 21.683 562 HB2 LYS 78 HB2 LYS 78 18.376 17.449 22.305 563 HB3 LYS 78 HB1 LYS 78 19.939 17.945 22.932 564 HG2 LYS 78 HG2 LYS 78 20.728 18.259 20.612 565 HG3 LYS 78 HG1 LYS 78 19.101 17.869 20.046 566 HD2 LYS 78 HD2 LYS 78 18.198 19.761 21.280 567 HD3 LYS 78 HD1 LYS 78 19.803 20.136 21.911 568 HE2 LYS 78 HE2 LYS 78 19.276 21.608 20.066 569 HE3 LYS 78 HE1 LYS 78 20.590 20.523 19.616 570 HZ1 LYS 78 HZ1 LYS 78 17.733 20.259 18.833 571 HZ2 LYS 78 HZ2 LYS 78 18.942 19.128 18.473 572 HZ3 LYS 78 HZ3 LYS 78 19.032 20.688 17.819 573 H GLY 79 HN GLY 79 17.992 14.754 23.007 574 HA2 GLY 79 HA2 GLY 79 18.873 14.721 25.729 575 HA3 GLY 79 HA1 GLY 79 17.480 13.871 25.072 576 H SER 80 HN SER 80 20.395 13.448 26.506 577 HA SER 80 HA SER 80 20.729 10.783 25.309 578 HB2 SER 80 HB2 SER 80 23.147 11.010 26.072 579 HB3 SER 80 HB1 SER 80 22.667 12.060 24.739 580 HG SER 80 HG SER 80 22.530 12.921 27.428 581 H1 VAL 1 HT1 VAL 1 18.566 -4.008 -18.056 582 H2 VAL 1 HT2 VAL 1 18.934 -2.421 -17.579 583 H3 VAL 1 HT3 VAL 1 17.437 -2.765 -18.297 584 HA VAL 1 HA VAL 1 16.833 -4.156 -16.414 585 HB VAL 1 HB VAL 1 19.401 -3.110 -15.199 586 HG11 VAL 1 HG11 VAL 1 17.305 -4.962 -14.069 587 HG12 VAL 1 HG12 VAL 1 17.611 -3.301 -13.564 588 HG13 VAL 1 HG13 VAL 1 18.833 -4.542 -13.293 589 HG21 VAL 1 HG21 VAL 1 20.123 -5.456 -15.175 590 HG22 VAL 1 HG22 VAL 1 19.856 -4.870 -16.816 591 HG23 VAL 1 HG23 VAL 1 18.658 -5.910 -16.045 592 H ALA 2 HN ALA 2 15.258 -3.115 -15.364 593 HA ALA 2 HA ALA 2 15.738 -0.458 -14.271 594 HB1 ALA 2 HB1 ALA 2 13.531 -0.967 -16.266 595 HB2 ALA 2 HB2 ALA 2 14.980 -0.003 -16.554 596 HB3 ALA 2 HB3 ALA 2 13.791 0.526 -15.364 597 H SER 3 HN SER 3 15.167 -0.781 -12.223 598 HA SER 3 HA SER 3 12.999 -2.560 -11.517 599 HB2 SER 3 HB2 SER 3 14.785 -0.814 -9.798 600 HB3 SER 3 HB1 SER 3 13.622 -1.990 -9.183 601 HG SER 3 HG SER 3 14.854 -3.537 -10.573 602 H LYS 4 HN LYS 4 11.478 -1.657 -9.710 603 HA LYS 4 HA LYS 4 9.882 0.330 -10.990 604 HB2 LYS 4 HB2 LYS 4 9.597 -0.851 -8.218 605 HB3 LYS 4 HB1 LYS 4 8.352 0.013 -9.110 606 HG2 LYS 4 HG2 LYS 4 8.238 -1.743 -10.750 607 HG3 LYS 4 HG1 LYS 4 9.605 -2.572 -10.002 608 HD2 LYS 4 HD2 LYS 4 7.527 -3.642 -9.366 609 HD3 LYS 4 HD1 LYS 4 8.282 -2.890 -7.963 610 HE2 LYS 4 HE2 LYS 4 5.936 -2.446 -7.882 611 HE3 LYS 4 HE1 LYS 4 6.768 -0.942 -8.271 612 HZ1 LYS 4 HZ1 LYS 4 6.099 -1.092 -10.512 613 HZ2 LYS 4 HZ2 LYS 4 4.713 -1.455 -9.598 614 HZ3 LYS 4 HZ3 LYS 4 5.589 -2.702 -10.343 615 H ALA 5 HN ALA 5 9.831 2.474 -10.690 616 HA ALA 5 HA ALA 5 10.692 3.568 -8.112 617 HB1 ALA 5 HB1 ALA 5 11.573 4.674 -10.783 618 HB2 ALA 5 HB2 ALA 5 12.603 3.836 -9.623 619 HB3 ALA 5 HB3 ALA 5 11.894 5.396 -9.206 620 H ILE 6 HN ILE 6 8.505 3.847 -7.626 621 HA ILE 6 HA ILE 6 6.960 5.518 -9.497 622 HB ILE 6 HB ILE 6 5.876 3.711 -7.329 623 HG12 ILE 6 HG12 ILE 6 6.001 3.242 -10.321 624 HG13 ILE 6 HG11 ILE 6 7.034 2.451 -9.137 625 HG21 ILE 6 HG21 ILE 6 3.739 4.044 -8.473 626 HG22 ILE 6 HG22 ILE 6 4.520 5.134 -9.619 627 HG23 ILE 6 HG23 ILE 6 4.414 5.575 -7.913 628 HD11 ILE 6 HD11 ILE 6 4.040 2.202 -9.304 629 HD12 ILE 6 HD12 ILE 6 5.080 1.402 -8.126 630 HD13 ILE 6 HD13 ILE 6 5.217 1.002 -9.839 631 H PHE 7 HN PHE 7 6.608 7.536 -8.919 632 HA PHE 7 HA PHE 7 6.942 8.298 -6.109 633 HB2 PHE 7 HB2 PHE 7 8.289 9.508 -7.777 634 HB3 PHE 7 HB1 PHE 7 6.819 10.005 -8.607 635 HD1 PHE 7 HD1 PHE 7 8.461 10.205 -5.270 636 HD2 PHE 7 HD2 PHE 7 5.889 12.050 -8.113 637 HE1 PHE 7 HE1 PHE 7 8.355 12.220 -3.861 638 HE2 PHE 7 HE2 PHE 7 5.777 14.066 -6.710 639 HZ PHE 7 HZ PHE 7 7.011 14.155 -4.580 640 H TYR 8 HN TYR 8 5.287 8.929 -4.888 641 HA TYR 8 HA TYR 8 2.654 9.246 -6.175 642 HB2 TYR 8 HB2 TYR 8 3.427 8.193 -3.456 643 HB3 TYR 8 HB1 TYR 8 1.782 8.687 -3.837 644 HD1 TYR 8 HD2 TYR 8 4.404 6.197 -4.498 645 HD2 TYR 8 HD1 TYR 8 0.381 7.348 -5.257 646 HE1 TYR 8 HE2 TYR 8 3.939 3.959 -5.405 647 HE2 TYR 8 HE1 TYR 8 -0.095 5.113 -6.163 648 HH TYR 8 HH TYR 8 2.067 2.487 -5.806 649 H HIS 9 HN HIS 9 1.654 11.155 -5.990 650 HA HIS 9 HA HIS 9 1.979 12.759 -3.624 651 HB2 HIS 9 HB2 HIS 9 2.885 14.721 -4.601 652 HB3 HIS 9 HB1 HIS 9 3.936 13.399 -5.088 653 HD2 HIS 9 HD2 HIS 9 3.540 12.581 -7.843 654 HE1 HIS 9 HE1 HIS 9 1.959 16.369 -8.866 655 HE2 HIS 9 HE2 HIS 9 3.150 14.315 -9.739 656 H ALA 10 HN ALA 10 0.525 14.663 -3.653 657 HA ALA 10 HA ALA 10 -1.826 14.096 -5.332 658 HB1 ALA 10 HB1 ALA 10 -1.739 15.266 -2.553 659 HB2 ALA 10 HB2 ALA 10 -2.190 13.612 -2.967 660 HB3 ALA 10 HB3 ALA 10 -3.194 14.960 -3.503 661 H GLY 11 HN GLY 11 0.527 15.965 -5.745 662 HA2 GLY 11 HA2 GLY 11 0.772 17.997 -6.801 663 HA3 GLY 11 HA1 GLY 11 -0.975 18.177 -6.752 664 H CYS 12 HN CYS 12 2.024 18.789 -5.102 665 HA CYS 12 HA CYS 12 0.858 20.993 -3.653 666 HB2 CYS 12 HB2 CYS 12 1.642 20.164 -1.434 667 HB3 CYS 12 HB1 CYS 12 0.339 19.188 -2.105 668 HG CYS 12 HG CYS 12 2.804 17.619 -3.224 669 HA PRO 13 HA PRO 13 4.854 22.768 -4.198 670 HB2 PRO 13 HB2 PRO 13 5.458 23.725 -1.663 671 HB3 PRO 13 HB1 PRO 13 4.474 24.565 -2.862 672 HG2 PRO 13 HG2 PRO 13 3.617 22.908 -0.532 673 HG3 PRO 13 HG1 PRO 13 2.911 24.408 -1.164 674 HD2 PRO 13 HD2 PRO 13 1.779 22.029 -1.641 675 HD3 PRO 13 HD1 PRO 13 1.794 23.306 -2.876 676 H VAL 14 HN VAL 14 4.500 20.641 -1.426 677 HA VAL 14 HA VAL 14 7.232 20.311 -0.820 678 HB VAL 14 HB VAL 14 4.988 18.348 -0.316 679 HG11 VAL 14 HG11 VAL 14 7.651 18.709 1.057 680 HG12 VAL 14 HG12 VAL 14 7.196 17.371 0.004 681 HG13 VAL 14 HG13 VAL 14 6.384 17.588 1.555 682 HG21 VAL 14 HG21 VAL 14 4.405 20.527 0.569 683 HG22 VAL 14 HG22 VAL 14 5.970 20.646 1.372 684 HG23 VAL 14 HG23 VAL 14 4.805 19.428 1.890 685 H CYS 15 HN CYS 15 5.030 18.434 -2.887 686 HA CYS 15 HA CYS 15 7.010 16.419 -3.376 687 HB2 CYS 15 HB2 CYS 15 5.363 15.518 -5.004 688 HB3 CYS 15 HB1 CYS 15 4.711 15.738 -3.385 689 HG CYS 15 HG CYS 15 3.303 16.601 -6.054 690 H VAL 16 HN VAL 16 6.122 19.409 -4.871 691 HA VAL 16 HA VAL 16 7.156 18.963 -7.448 692 HB VAL 16 HB VAL 16 7.124 21.560 -5.891 693 HG11 VAL 16 HG11 VAL 16 7.373 21.056 -8.858 694 HG12 VAL 16 HG12 VAL 16 8.645 21.652 -7.792 695 HG13 VAL 16 HG13 VAL 16 7.214 22.638 -8.093 696 HG21 VAL 16 HG21 VAL 16 4.897 20.611 -6.077 697 HG22 VAL 16 HG22 VAL 16 5.109 20.396 -7.814 698 HG23 VAL 16 HG23 VAL 16 5.046 22.019 -7.128 699 H SER 17 HN SER 17 8.671 19.878 -4.408 700 HA SER 17 HA SER 17 11.257 20.404 -5.361 701 HB2 SER 17 HB2 SER 17 10.606 19.107 -2.711 702 HB3 SER 17 HB1 SER 17 11.964 20.162 -3.094 703 HG SER 17 HG SER 17 10.022 21.669 -3.668 704 H ALA 18 HN ALA 18 9.796 17.400 -4.140 705 HA ALA 18 HA ALA 18 12.040 15.751 -4.565 706 HB1 ALA 18 HB1 ALA 18 10.499 13.886 -4.322 707 HB2 ALA 18 HB2 ALA 18 9.127 14.971 -4.540 708 HB3 ALA 18 HB3 ALA 18 10.158 15.128 -3.118 709 H GLU 19 HN GLU 19 9.282 16.572 -6.596 710 HA GLU 19 HA GLU 19 9.733 14.822 -8.722 711 HB2 GLU 19 HB2 GLU 19 7.670 16.078 -8.485 712 HB3 GLU 19 HB1 GLU 19 8.531 17.593 -8.688 713 HG2 GLU 19 HG2 GLU 19 9.146 16.828 -10.991 714 HG3 GLU 19 HG1 GLU 19 8.046 15.469 -10.755 715 H GLN 20 HN GLN 20 10.887 18.150 -8.242 716 HA GLN 20 HA GLN 20 12.311 18.043 -10.770 717 HB2 GLN 20 HB2 GLN 20 11.982 20.276 -8.762 718 HB3 GLN 20 HB1 GLN 20 12.792 20.433 -10.316 719 HG2 GLN 20 HG2 GLN 20 9.908 19.649 -9.946 720 HG3 GLN 20 HG1 GLN 20 10.478 21.271 -10.342 721 HE21 GLN 20 HE21 GLN 20 8.761 19.320 -11.809 722 HE22 GLN 20 HE22 GLN 20 9.508 19.170 -13.367 723 H ALA 21 HN ALA 21 13.063 17.064 -7.695 724 HA ALA 21 HA ALA 21 15.924 17.531 -8.235 725 HB1 ALA 21 HB1 ALA 21 14.642 17.317 -5.518 726 HB2 ALA 21 HB2 ALA 21 15.182 18.810 -6.286 727 HB3 ALA 21 HB3 ALA 21 16.356 17.569 -5.849 728 H VAL 22 HN VAL 22 14.025 15.415 -6.072 729 HA VAL 22 HA VAL 22 15.931 13.336 -6.134 730 HB VAL 22 HB VAL 22 13.001 13.141 -5.402 731 HG11 VAL 22 HG11 VAL 22 13.670 11.190 -4.086 732 HG12 VAL 22 HG12 VAL 22 15.323 11.353 -4.681 733 HG13 VAL 22 HG13 VAL 22 14.018 10.958 -5.799 734 HG21 VAL 22 HG21 VAL 22 15.408 13.698 -3.669 735 HG22 VAL 22 HG22 VAL 22 13.760 13.449 -3.092 736 HG23 VAL 22 HG23 VAL 22 14.142 14.850 -4.092 737 H ALA 23 HN ALA 23 12.881 13.798 -7.885 738 HA ALA 23 HA ALA 23 13.080 11.286 -9.258 739 HB1 ALA 23 HB1 ALA 23 10.913 12.325 -8.764 740 HB2 ALA 23 HB2 ALA 23 11.119 12.015 -10.488 741 HB3 ALA 23 HB3 ALA 23 11.307 13.651 -9.856 742 H ASN 24 HN ASN 24 14.776 14.095 -9.592 743 HA ASN 24 HA ASN 24 15.256 13.622 -12.454 744 HB2 ASN 24 HB2 ASN 24 14.722 15.969 -11.749 745 HB3 ASN 24 HB1 ASN 24 16.179 15.961 -10.761 746 HD21 ASN 24 HD21 ASN 24 14.908 15.985 -14.006 747 HD22 ASN 24 HD22 ASN 24 16.383 16.441 -14.794 748 H ALA 25 HN ALA 25 16.466 13.159 -9.327 749 HA ALA 25 HA ALA 25 19.226 12.806 -10.066 750 HB1 ALA 25 HB1 ALA 25 17.752 12.023 -7.550 751 HB2 ALA 25 HB2 ALA 25 18.657 13.515 -7.805 752 HB3 ALA 25 HB3 ALA 25 19.501 11.966 -7.775 753 H ILE 26 HN ILE 26 16.404 10.779 -9.469 754 HA ILE 26 HA ILE 26 17.789 8.329 -10.023 755 HB ILE 26 HB ILE 26 14.812 8.885 -10.023 756 HG12 ILE 26 HG12 ILE 26 16.598 7.748 -7.855 757 HG13 ILE 26 HG11 ILE 26 15.891 9.360 -7.855 758 HG21 ILE 26 HG21 ILE 26 14.580 6.455 -9.758 759 HG22 ILE 26 HG22 ILE 26 16.327 6.276 -9.916 760 HG23 ILE 26 HG23 ILE 26 15.377 6.875 -11.274 761 HD11 ILE 26 HD11 ILE 26 14.670 7.832 -6.407 762 HD12 ILE 26 HD12 ILE 26 14.355 6.775 -7.784 763 HD13 ILE 26 HD13 ILE 26 13.665 8.398 -7.742 764 H ASP 27 HN ASP 27 18.475 7.792 -11.961 765 HA ASP 27 HA ASP 27 17.900 9.321 -14.253 766 HB2 ASP 27 HB2 ASP 27 20.038 8.132 -13.886 767 HB3 ASP 27 HB1 ASP 27 19.202 6.596 -14.104 768 HA PRO 28 HA PRO 28 14.038 7.580 -15.500 769 HB2 PRO 28 HB2 PRO 28 14.832 8.574 -18.177 770 HB3 PRO 28 HB1 PRO 28 13.391 8.935 -17.220 771 HG2 PRO 28 HG2 PRO 28 15.343 10.730 -17.485 772 HG3 PRO 28 HG1 PRO 28 14.480 10.537 -15.947 773 HD2 PRO 28 HD2 PRO 28 17.193 9.554 -16.736 774 HD3 PRO 28 HD1 PRO 28 16.648 10.247 -15.195 775 H SER 29 HN SER 29 17.047 6.762 -17.125 776 HA SER 29 HA SER 29 15.681 4.491 -18.396 777 HB2 SER 29 HB2 SER 29 17.826 4.275 -19.725 778 HB3 SER 29 HB1 SER 29 16.892 5.737 -20.026 779 HG SER 29 HG SER 29 18.688 6.087 -18.001 780 H LYS 30 HN LYS 30 17.333 5.225 -15.674 781 HA LYS 30 HA LYS 30 18.863 2.775 -15.442 782 HB2 LYS 30 HB2 LYS 30 19.630 4.917 -14.425 783 HB3 LYS 30 HB1 LYS 30 18.231 4.883 -13.365 784 HG2 LYS 30 HG2 LYS 30 19.074 2.716 -12.450 785 HG3 LYS 30 HG1 LYS 30 20.545 2.965 -13.396 786 HD2 LYS 30 HD2 LYS 30 20.970 5.057 -12.226 787 HD3 LYS 30 HD1 LYS 30 19.466 4.872 -11.320 788 HE2 LYS 30 HE2 LYS 30 21.176 4.160 -9.867 789 HE3 LYS 30 HE1 LYS 30 20.412 2.687 -10.463 790 HZ1 LYS 30 HZ1 LYS 30 23.027 3.841 -11.233 791 HZ2 LYS 30 HZ2 LYS 30 22.255 2.665 -12.178 792 HZ3 LYS 30 HZ3 LYS 30 22.700 2.310 -10.589 793 H TYR 31 HN TYR 31 15.885 4.191 -14.203 794 HA TYR 31 HA TYR 31 14.922 1.504 -13.561 795 HB2 TYR 31 HB2 TYR 31 14.661 3.875 -11.689 796 HB3 TYR 31 HB1 TYR 31 13.881 2.315 -11.465 797 HD1 TYR 31 HD1 TYR 31 15.644 0.268 -11.570 798 HD2 TYR 31 HD2 TYR 31 16.544 4.272 -10.454 799 HE1 TYR 31 HE1 TYR 31 17.611 -0.529 -10.330 800 HE2 TYR 31 HE2 TYR 31 18.512 3.490 -9.214 801 HH TYR 31 HH TYR 31 19.295 1.371 -8.128 802 H THR 32 HN THR 32 12.535 1.480 -13.328 803 HA THR 32 HA THR 32 11.313 3.114 -15.355 804 HB THR 32 HB THR 32 10.181 0.992 -13.521 805 HG1 THR 32 HG1 THR 32 10.997 1.060 -16.249 806 HG21 THR 32 HG21 THR 32 8.416 2.578 -14.128 807 HG22 THR 32 HG22 THR 32 8.184 1.029 -14.940 808 HG23 THR 32 HG23 THR 32 8.839 2.402 -15.832 809 H VAL 33 HN VAL 33 11.303 5.200 -14.643 810 HA VAL 33 HA VAL 33 10.260 5.895 -12.041 811 HB VAL 33 HB VAL 33 10.996 7.725 -14.334 812 HG11 VAL 33 HG11 VAL 33 10.638 8.269 -11.387 813 HG12 VAL 33 HG12 VAL 33 9.553 8.779 -12.681 814 HG13 VAL 33 HG13 VAL 33 11.185 9.440 -12.588 815 HG21 VAL 33 HG21 VAL 33 13.135 8.038 -13.189 816 HG22 VAL 33 HG22 VAL 33 12.907 6.354 -13.663 817 HG23 VAL 33 HG23 VAL 33 12.671 6.838 -11.983 818 H GLU 34 HN GLU 34 8.159 5.861 -11.702 819 HA GLU 34 HA GLU 34 6.372 6.820 -13.841 820 HB2 GLU 34 HB2 GLU 34 6.145 4.384 -13.388 821 HB3 GLU 34 HB1 GLU 34 5.739 4.756 -11.719 822 HG2 GLU 34 HG2 GLU 34 3.748 4.275 -13.009 823 HG3 GLU 34 HG1 GLU 34 3.749 5.952 -12.464 824 H ILE 35 HN ILE 35 4.746 8.230 -13.261 825 HA ILE 35 HA ILE 35 4.972 9.317 -10.527 826 HB ILE 35 HB ILE 35 4.210 10.811 -13.044 827 HG12 ILE 35 HG12 ILE 35 6.602 10.237 -13.012 828 HG13 ILE 35 HG11 ILE 35 6.362 11.969 -12.808 829 HG21 ILE 35 HG21 ILE 35 4.664 11.818 -10.237 830 HG22 ILE 35 HG22 ILE 35 3.106 11.680 -11.052 831 HG23 ILE 35 HG23 ILE 35 4.315 12.816 -11.650 832 HD11 ILE 35 HD11 ILE 35 6.737 11.736 -10.410 833 HD12 ILE 35 HD12 ILE 35 8.108 11.134 -11.342 834 HD13 ILE 35 HD13 ILE 35 6.969 10.001 -10.614 835 H VAL 36 HN VAL 36 3.221 8.837 -9.351 836 HA VAL 36 HA VAL 36 0.647 8.537 -10.746 837 HB VAL 36 HB VAL 36 1.418 7.587 -7.978 838 HG11 VAL 36 HG11 VAL 36 -0.716 6.380 -8.033 839 HG12 VAL 36 HG12 VAL 36 -1.091 7.120 -9.590 840 HG13 VAL 36 HG13 VAL 36 -0.955 8.124 -8.146 841 HG21 VAL 36 HG21 VAL 36 1.305 5.337 -8.964 842 HG22 VAL 36 HG22 VAL 36 2.562 6.322 -9.711 843 HG23 VAL 36 HG23 VAL 36 1.035 6.057 -10.552 844 H HIS 37 HN HIS 37 -0.604 10.245 -10.694 845 HA HIS 37 HA HIS 37 -0.255 12.249 -8.613 846 HB2 HIS 37 HB2 HIS 37 -0.443 12.728 -11.153 847 HB3 HIS 37 HB1 HIS 37 -2.168 12.454 -10.929 848 HD2 HIS 37 HD2 HIS 37 0.486 15.152 -10.409 849 HE1 HIS 37 HE1 HIS 37 -3.134 16.565 -8.740 850 HE2 HIS 37 HE2 HIS 37 -0.855 17.231 -9.634 851 H LEU 38 HN LEU 38 -1.383 12.009 -6.833 852 HA LEU 38 HA LEU 38 -3.845 10.456 -6.829 853 HB2 LEU 38 HB2 LEU 38 -2.379 11.721 -4.509 854 HB3 LEU 38 HB1 LEU 38 -3.646 10.511 -4.414 855 HG LEU 38 HG LEU 38 -0.911 10.056 -5.617 856 HD11 LEU 38 HD11 LEU 38 -0.762 10.377 -3.220 857 HD12 LEU 38 HD12 LEU 38 -0.508 8.680 -3.627 858 HD13 LEU 38 HD13 LEU 38 -2.054 9.205 -2.960 859 HD21 LEU 38 HD21 LEU 38 -1.550 7.701 -5.604 860 HD22 LEU 38 HD22 LEU 38 -2.636 8.653 -6.616 861 HD23 LEU 38 HD23 LEU 38 -3.154 8.134 -5.012 862 H GLY 39 HN GLY 39 -3.032 13.637 -7.268 863 HA2 GLY 39 HA2 GLY 39 -5.241 14.747 -5.708 864 HA3 GLY 39 HA1 GLY 39 -3.997 15.663 -6.542 865 H THR 40 HN THR 40 -5.970 13.083 -7.877 866 HA THR 40 HA THR 40 -7.750 14.896 -9.238 867 HB THR 40 HB THR 40 -5.835 13.217 -10.886 868 HG1 THR 40 HG1 THR 40 -5.615 15.709 -9.916 869 HG21 THR 40 HG21 THR 40 -6.911 14.272 -12.822 870 HG22 THR 40 HG22 THR 40 -8.045 15.089 -11.747 871 HG23 THR 40 HG23 THR 40 -8.068 13.331 -11.881 872 H ASP 41 HN ASP 41 -6.452 11.594 -9.091 873 HA ASP 41 HA ASP 41 -9.210 10.596 -9.276 874 HB2 ASP 41 HB2 ASP 41 -7.858 9.642 -11.015 875 HB3 ASP 41 HB1 ASP 41 -6.586 9.221 -9.872 876 H LYS 42 HN LYS 42 -10.115 9.842 -7.518 877 HA LYS 42 HA LYS 42 -8.604 9.766 -5.062 878 HB2 LYS 42 HB2 LYS 42 -11.534 9.249 -5.608 879 HB3 LYS 42 HB1 LYS 42 -10.809 9.400 -4.011 880 HG2 LYS 42 HG2 LYS 42 -10.234 11.694 -4.429 881 HG3 LYS 42 HG1 LYS 42 -10.776 11.563 -6.102 882 HD2 LYS 42 HD2 LYS 42 -13.065 11.115 -5.294 883 HD3 LYS 42 HD1 LYS 42 -12.498 11.337 -3.636 884 HE2 LYS 42 HE2 LYS 42 -11.884 13.623 -4.108 885 HE3 LYS 42 HE1 LYS 42 -12.302 13.419 -5.808 886 HZ1 LYS 42 HZ1 LYS 42 -14.041 14.570 -4.615 887 HZ2 LYS 42 HZ2 LYS 42 -14.196 13.290 -3.522 888 HZ3 LYS 42 HZ3 LYS 42 -14.610 13.066 -5.152 889 H ALA 43 HN ALA 43 -9.690 7.490 -7.400 890 HA ALA 43 HA ALA 43 -9.861 5.194 -5.744 891 HB1 ALA 43 HB1 ALA 43 -10.822 5.227 -7.980 892 HB2 ALA 43 HB2 ALA 43 -9.651 3.916 -7.831 893 HB3 ALA 43 HB3 ALA 43 -9.214 5.395 -8.685 894 H ARG 44 HN ARG 44 -7.238 6.775 -7.454 895 HA ARG 44 HA ARG 44 -5.199 4.915 -7.015 896 HB2 ARG 44 HB2 ARG 44 -5.237 7.893 -7.373 897 HB3 ARG 44 HB1 ARG 44 -3.729 7.052 -7.043 898 HG2 ARG 44 HG2 ARG 44 -3.827 5.856 -9.054 899 HG3 ARG 44 HG1 ARG 44 -5.528 6.256 -9.305 900 HD2 ARG 44 HD2 ARG 44 -5.021 8.514 -9.788 901 HD3 ARG 44 HD1 ARG 44 -3.365 8.340 -9.211 902 HE ARG 44 HE ARG 44 -2.765 7.466 -11.243 903 HH11 ARG 44 HH11 ARG 44 -6.278 7.410 -11.030 904 HH12 ARG 44 HH12 ARG 44 -6.480 7.158 -12.741 905 HH21 ARG 44 HH21 ARG 44 -3.060 7.124 -13.455 906 HH22 ARG 44 HH22 ARG 44 -4.663 6.983 -14.110 907 H ILE 45 HN ILE 45 -6.603 7.321 -4.881 908 HA ILE 45 HA ILE 45 -4.626 7.260 -2.866 909 HB ILE 45 HB ILE 45 -7.590 7.813 -2.602 910 HG12 ILE 45 HG12 ILE 45 -5.248 9.704 -2.944 911 HG13 ILE 45 HG11 ILE 45 -6.428 9.305 -4.188 912 HG21 ILE 45 HG21 ILE 45 -5.325 8.467 -0.720 913 HG22 ILE 45 HG22 ILE 45 -6.591 7.271 -0.448 914 HG23 ILE 45 HG23 ILE 45 -7.000 8.985 -0.532 915 HD11 ILE 45 HD11 ILE 45 -7.001 10.721 -1.595 916 HD12 ILE 45 HD12 ILE 45 -8.192 10.311 -2.828 917 HD13 ILE 45 HD13 ILE 45 -6.905 11.462 -3.192 918 H ALA 46 HN ALA 46 -7.597 5.398 -3.358 919 HA ALA 46 HA ALA 46 -7.321 3.810 -1.011 920 HB1 ALA 46 HB1 ALA 46 -9.477 4.172 -2.131 921 HB2 ALA 46 HB2 ALA 46 -9.110 2.458 -1.947 922 HB3 ALA 46 HB3 ALA 46 -8.907 3.241 -3.514 923 H GLU 47 HN GLU 47 -5.677 3.817 -3.951 924 HA GLU 47 HA GLU 47 -4.947 0.995 -3.791 925 HB2 GLU 47 HB2 GLU 47 -5.409 2.038 -6.005 926 HB3 GLU 47 HB1 GLU 47 -4.031 3.103 -5.758 927 HG2 GLU 47 HG2 GLU 47 -3.550 1.166 -7.214 928 HG3 GLU 47 HG1 GLU 47 -2.514 1.256 -5.789 929 H ALA 48 HN ALA 48 -3.604 4.207 -3.341 930 HA ALA 48 HA ALA 48 -0.932 3.474 -2.873 931 HB1 ALA 48 HB1 ALA 48 -0.705 5.643 -1.791 932 HB2 ALA 48 HB2 ALA 48 -2.460 5.798 -1.700 933 HB3 ALA 48 HB3 ALA 48 -1.656 5.787 -3.270 934 H GLU 49 HN GLU 49 -3.742 3.646 -0.748 935 HA GLU 49 HA GLU 49 -2.319 3.083 1.641 936 HB2 GLU 49 HB2 GLU 49 -5.244 2.829 0.950 937 HB3 GLU 49 HB1 GLU 49 -4.599 2.518 2.557 938 HG2 GLU 49 HG2 GLU 49 -3.693 4.839 2.565 939 HG3 GLU 49 HG1 GLU 49 -4.541 5.117 1.045 940 H LYS 50 HN LYS 50 -3.307 1.088 -0.972 941 HA LYS 50 HA LYS 50 -3.304 -1.376 0.514 942 HB2 LYS 50 HB2 LYS 50 -2.969 -0.906 -2.453 943 HB3 LYS 50 HB1 LYS 50 -3.160 -2.479 -1.701 944 HG2 LYS 50 HG2 LYS 50 -5.391 -1.608 -0.838 945 HG3 LYS 50 HG1 LYS 50 -5.177 -0.283 -1.989 946 HD2 LYS 50 HD2 LYS 50 -4.819 -2.046 -3.762 947 HD3 LYS 50 HD1 LYS 50 -5.358 -3.233 -2.575 948 HE2 LYS 50 HE2 LYS 50 -7.234 -2.671 -3.920 949 HE3 LYS 50 HE1 LYS 50 -7.470 -1.909 -2.347 950 HZ1 LYS 50 HZ1 LYS 50 -7.985 -0.456 -4.271 951 HZ2 LYS 50 HZ2 LYS 50 -6.347 -0.518 -4.715 952 HZ3 LYS 50 HZ3 LYS 50 -6.802 0.181 -3.236 953 H ALA 51 HN ALA 51 -1.061 0.219 -1.718 954 HA ALA 51 HA ALA 51 1.013 -1.664 -1.545 955 HB1 ALA 51 HB1 ALA 51 0.855 -0.004 -3.330 956 HB2 ALA 51 HB2 ALA 51 2.423 0.067 -2.527 957 HB3 ALA 51 HB3 ALA 51 1.194 1.280 -2.171 958 H GLY 52 HN GLY 52 0.219 1.118 0.433 959 HA2 GLY 52 HA2 GLY 52 0.883 0.932 2.792 960 HA3 GLY 52 HA1 GLY 52 2.441 0.354 2.217 961 H VAL 53 HN VAL 53 0.695 3.009 0.744 962 HA VAL 53 HA VAL 53 2.875 4.813 1.387 963 HB VAL 53 HB VAL 53 0.314 5.351 -0.140 964 HG11 VAL 53 HG11 VAL 53 2.860 6.957 0.050 965 HG12 VAL 53 HG12 VAL 53 1.306 7.383 0.767 966 HG13 VAL 53 HG13 VAL 53 1.482 7.328 -0.987 967 HG21 VAL 53 HG21 VAL 53 1.649 3.665 -1.263 968 HG22 VAL 53 HG22 VAL 53 3.079 4.689 -1.146 969 HG23 VAL 53 HG23 VAL 53 1.720 5.188 -2.152 970 H LYS 54 HN LYS 54 2.861 5.564 3.407 971 HA LYS 54 HA LYS 54 0.435 5.740 4.933 972 HB2 LYS 54 HB2 LYS 54 2.794 5.091 5.757 973 HB3 LYS 54 HB1 LYS 54 3.112 6.820 5.787 974 HG2 LYS 54 HG2 LYS 54 2.486 6.079 7.985 975 HG3 LYS 54 HG1 LYS 54 1.208 7.109 7.333 976 HD2 LYS 54 HD2 LYS 54 -0.088 5.136 6.724 977 HD3 LYS 54 HD1 LYS 54 1.200 4.090 7.319 978 HE2 LYS 54 HE2 LYS 54 0.888 4.971 9.572 979 HE3 LYS 54 HE1 LYS 54 -0.381 6.043 8.985 980 HZ1 LYS 54 HZ1 LYS 54 -1.323 4.081 10.002 981 HZ2 LYS 54 HZ2 LYS 54 -0.459 3.074 8.950 982 HZ3 LYS 54 HZ3 LYS 54 -1.672 4.091 8.343 983 H SER 55 HN SER 55 2.543 7.947 3.243 984 HA SER 55 HA SER 55 0.512 10.001 3.469 985 HB2 SER 55 HB2 SER 55 2.332 11.702 4.095 986 HB3 SER 55 HB1 SER 55 1.762 10.634 5.377 987 HG SER 55 HG SER 55 3.953 9.810 3.851 988 H VAL 56 HN VAL 56 0.727 11.666 1.865 989 HA VAL 56 HA VAL 56 2.050 10.815 -0.523 990 HB VAL 56 HB VAL 56 1.315 13.057 -1.438 991 HG11 VAL 56 HG11 VAL 56 -1.050 12.411 -1.522 992 HG12 VAL 56 HG12 VAL 56 -0.771 11.259 -0.214 993 HG13 VAL 56 HG13 VAL 56 0.022 11.034 -1.773 994 HG21 VAL 56 HG21 VAL 56 1.218 14.303 0.648 995 HG22 VAL 56 HG22 VAL 56 -0.062 13.241 1.236 996 HG23 VAL 56 HG23 VAL 56 -0.356 14.294 -0.148 997 HA PRO 57 HA PRO 57 5.163 13.036 -2.299 998 HB2 PRO 57 HB2 PRO 57 5.837 14.457 0.262 999 HB3 PRO 57 HB1 PRO 57 6.422 14.784 -1.379 1000 HG2 PRO 57 HG2 PRO 57 4.141 15.940 -0.215 1001 HG3 PRO 57 HG1 PRO 57 4.517 15.916 -1.946 1002 HD2 PRO 57 HD2 PRO 57 2.318 14.644 -0.750 1003 HD3 PRO 57 HD1 PRO 57 2.977 14.244 -2.357 1004 H ALA 58 HN ALA 58 5.415 10.856 -2.278 1005 HA ALA 58 HA ALA 58 7.609 9.900 -0.624 1006 HB1 ALA 58 HB1 ALA 58 5.622 9.204 0.635 1007 HB2 ALA 58 HB2 ALA 58 6.462 7.813 -0.049 1008 HB3 ALA 58 HB3 ALA 58 4.986 8.411 -0.806 1009 H LEU 59 HN LEU 59 8.662 8.033 -1.598 1010 HA LEU 59 HA LEU 59 7.821 7.500 -4.371 1011 HB2 LEU 59 HB2 LEU 59 9.779 9.186 -4.019 1012 HB3 LEU 59 HB1 LEU 59 10.718 7.762 -3.626 1013 HG LEU 59 HG LEU 59 9.241 8.019 -6.239 1014 HD11 LEU 59 HD11 LEU 59 11.354 8.754 -7.230 1015 HD12 LEU 59 HD12 LEU 59 12.070 8.855 -5.622 1016 HD13 LEU 59 HD13 LEU 59 10.736 9.920 -6.064 1017 HD21 LEU 59 HD21 LEU 59 11.608 6.354 -5.386 1018 HD22 LEU 59 HD22 LEU 59 10.887 6.379 -6.996 1019 HD23 LEU 59 HD23 LEU 59 9.961 5.770 -5.623 1020 H VAL 60 HN VAL 60 7.758 5.403 -4.863 1021 HA VAL 60 HA VAL 60 8.721 3.480 -2.878 1022 HB VAL 60 HB VAL 60 6.962 3.031 -5.298 1023 HG11 VAL 60 HG11 VAL 60 6.450 0.869 -4.261 1024 HG12 VAL 60 HG12 VAL 60 7.618 1.210 -2.984 1025 HG13 VAL 60 HG13 VAL 60 8.164 1.017 -4.649 1026 HG21 VAL 60 HG21 VAL 60 5.128 2.844 -3.670 1027 HG22 VAL 60 HG22 VAL 60 5.857 4.449 -3.669 1028 HG23 VAL 60 HG23 VAL 60 6.241 3.306 -2.382 1029 H ILE 61 HN ILE 61 10.712 2.760 -3.157 1030 HA ILE 61 HA ILE 61 11.820 2.536 -5.864 1031 HB ILE 61 HB ILE 61 13.231 2.353 -3.192 1032 HG12 ILE 61 HG12 ILE 61 13.156 4.605 -5.220 1033 HG13 ILE 61 HG11 ILE 61 12.328 4.605 -3.666 1034 HG21 ILE 61 HG21 ILE 61 14.371 1.091 -4.943 1035 HG22 ILE 61 HG22 ILE 61 15.294 2.527 -4.504 1036 HG23 ILE 61 HG23 ILE 61 14.349 2.508 -5.993 1037 HD11 ILE 61 HD11 ILE 61 14.484 4.507 -2.524 1038 HD12 ILE 61 HD12 ILE 61 14.361 5.918 -3.575 1039 HD13 ILE 61 HD13 ILE 61 15.306 4.517 -4.083 1040 H ASP 62 HN ASP 62 11.777 0.656 -6.813 1041 HA ASP 62 HA ASP 62 11.798 -1.553 -7.266 1042 HB2 ASP 62 HB2 ASP 62 13.852 -1.712 -5.979 1043 HB3 ASP 62 HB1 ASP 62 12.933 -1.840 -4.480 1044 H GLY 63 HN GLY 63 10.981 -1.577 -3.834 1045 HA2 GLY 63 HA2 GLY 63 8.191 -2.036 -4.370 1046 HA3 GLY 63 HA1 GLY 63 9.028 -3.459 -3.763 1047 H ALA 64 HN ALA 64 10.197 -0.403 -2.734 1048 HA ALA 64 HA ALA 64 8.848 -0.734 -0.136 1049 HB1 ALA 64 HB1 ALA 64 11.732 0.044 -0.588 1050 HB2 ALA 64 HB2 ALA 64 11.164 -1.511 0.022 1051 HB3 ALA 64 HB3 ALA 64 10.918 -0.047 0.974 1052 H ALA 65 HN ALA 65 7.981 1.082 0.709 1053 HA ALA 65 HA ALA 65 7.985 3.436 -0.994 1054 HB1 ALA 65 HB1 ALA 65 6.356 2.840 1.472 1055 HB2 ALA 65 HB2 ALA 65 5.854 2.529 -0.190 1056 HB3 ALA 65 HB3 ALA 65 6.109 4.185 0.359 1057 H PHE 66 HN PHE 66 9.444 4.973 -0.672 1058 HA PHE 66 HA PHE 66 10.221 5.604 2.099 1059 HB2 PHE 66 HB2 PHE 66 11.776 6.006 -0.466 1060 HB3 PHE 66 HB1 PHE 66 12.284 6.602 1.111 1061 HD1 PHE 66 HD1 PHE 66 12.882 4.998 2.898 1062 HD2 PHE 66 HD2 PHE 66 12.091 3.746 -1.091 1063 HE1 PHE 66 HE1 PHE 66 13.991 2.852 3.355 1064 HE2 PHE 66 HE2 PHE 66 13.198 1.599 -0.639 1065 HZ PHE 66 HZ PHE 66 14.150 1.149 1.585 1066 H HIS 67 HN HIS 67 9.258 7.352 2.810 1067 HA HIS 67 HA HIS 67 7.955 9.206 1.074 1068 HB2 HIS 67 HB2 HIS 67 8.497 9.368 4.049 1069 HB3 HIS 67 HB1 HIS 67 7.392 10.408 3.157 1070 HD1 HIS 67 HD1 HIS 67 7.693 6.950 4.575 1071 HD2 HIS 67 HD2 HIS 67 4.961 9.238 2.436 1072 HE1 HIS 67 HE1 HIS 67 5.502 5.694 4.653 1073 H ILE 68 HN ILE 68 8.680 11.083 0.262 1074 HA ILE 68 HA ILE 68 11.413 11.900 0.904 1075 HB ILE 68 HB ILE 68 9.561 13.033 -1.207 1076 HG12 ILE 68 HG12 ILE 68 10.030 10.668 -1.668 1077 HG13 ILE 68 HG11 ILE 68 10.863 11.701 -2.824 1078 HG21 ILE 68 HG21 ILE 68 11.318 14.569 -0.538 1079 HG22 ILE 68 HG22 ILE 68 11.633 13.956 -2.161 1080 HG23 ILE 68 HG23 ILE 68 12.536 13.318 -0.787 1081 HD11 ILE 68 HD11 ILE 68 12.944 11.410 -1.569 1082 HD12 ILE 68 HD12 ILE 68 12.281 9.870 -2.118 1083 HD13 ILE 68 HD13 ILE 68 12.102 10.357 -0.431 1084 H ASN 69 HN ASN 69 11.457 13.062 2.715 1085 HA ASN 69 HA ASN 69 10.917 14.530 4.367 1086 HB2 ASN 69 HB2 ASN 69 9.371 15.933 2.163 1087 HB3 ASN 69 HB1 ASN 69 9.564 16.571 3.790 1088 HD21 ASN 69 HD21 ASN 69 10.401 17.690 1.234 1089 HD22 ASN 69 HD22 ASN 69 12.107 17.929 1.363 1090 H PHE 70 HN PHE 70 8.634 15.658 5.251 1091 HA PHE 70 HA PHE 70 6.711 13.446 5.211 1092 HB2 PHE 70 HB2 PHE 70 7.483 14.308 7.427 1093 HB3 PHE 70 HB1 PHE 70 6.772 15.868 7.029 1094 HD1 PHE 70 HD1 PHE 70 5.991 12.306 7.630 1095 HD2 PHE 70 HD2 PHE 70 4.477 16.274 7.358 1096 HE1 PHE 70 HE1 PHE 70 3.838 11.542 8.547 1097 HE2 PHE 70 HE2 PHE 70 2.323 15.519 8.274 1098 HZ PHE 70 HZ PHE 70 2.000 13.151 8.870 1099 H GLY 71 HN GLY 71 5.468 13.691 3.415 1100 HA2 GLY 71 HA2 GLY 71 4.694 16.269 2.456 1101 HA3 GLY 71 HA1 GLY 71 4.131 14.712 1.856 1102 H ALA 72 HN ALA 72 2.222 13.899 2.544 1103 HA ALA 72 HA ALA 72 0.888 15.299 4.760 1104 HB1 ALA 72 HB1 ALA 72 0.160 16.530 2.792 1105 HB2 ALA 72 HB2 ALA 72 -1.183 15.658 3.532 1106 HB3 ALA 72 HB3 ALA 72 -0.429 15.036 2.064 1107 H GLY 73 HN GLY 73 -0.305 14.003 6.037 1108 HA2 GLY 73 HA2 GLY 73 -0.065 11.206 5.805 1109 HA3 GLY 73 HA1 GLY 73 -1.181 12.044 6.877 1110 H ILE 74 HN ILE 74 -1.171 9.729 4.644 1111 HA ILE 74 HA ILE 74 -3.022 10.658 2.707 1112 HB ILE 74 HB ILE 74 -1.434 8.714 2.425 1113 HG12 ILE 74 HG12 ILE 74 -4.324 8.122 1.752 1114 HG13 ILE 74 HG11 ILE 74 -3.330 9.286 0.883 1115 HG21 ILE 74 HG21 ILE 74 -2.255 6.493 3.101 1116 HG22 ILE 74 HG22 ILE 74 -3.572 7.263 3.985 1117 HG23 ILE 74 HG23 ILE 74 -1.901 7.525 4.486 1118 HD11 ILE 74 HD11 ILE 74 -3.454 7.168 -0.294 1119 HD12 ILE 74 HD12 ILE 74 -2.789 6.336 1.112 1120 HD13 ILE 74 HD13 ILE 74 -1.805 7.504 0.232 1121 H ASP 75 HN ASP 75 -3.422 9.286 5.879 1122 HA ASP 75 HA ASP 75 -6.223 8.729 5.495 1123 HB2 ASP 75 HB2 ASP 75 -4.722 7.564 7.200 1124 HB3 ASP 75 HB1 ASP 75 -4.838 9.042 8.156 1125 H ASP 76 HN ASP 76 -4.232 11.348 6.603 1126 HA ASP 76 HA ASP 76 -6.323 12.982 7.644 1127 HB2 ASP 76 HB2 ASP 76 -4.030 13.388 8.318 1128 HB3 ASP 76 HB1 ASP 76 -3.537 13.638 6.649 1129 H LEU 77 HN LEU 77 -5.077 12.264 4.510 1130 HA LEU 77 HA LEU 77 -6.182 14.472 3.106 1131 HB2 LEU 77 HB2 LEU 77 -5.432 11.714 2.139 1132 HB3 LEU 77 HB1 LEU 77 -5.866 13.053 1.094 1133 HG LEU 77 HG LEU 77 -3.466 12.958 2.925 1134 HD11 LEU 77 HD11 LEU 77 -3.278 11.468 0.998 1135 HD12 LEU 77 HD12 LEU 77 -2.176 12.838 0.866 1136 HD13 LEU 77 HD13 LEU 77 -3.665 12.810 -0.078 1137 HD21 LEU 77 HD21 LEU 77 -2.810 15.040 1.819 1138 HD22 LEU 77 HD22 LEU 77 -4.337 15.226 2.680 1139 HD23 LEU 77 HD23 LEU 77 -4.331 15.048 0.926 1140 H LYS 78 HN LYS 78 -7.606 11.758 4.558 1141 HA LYS 78 HA LYS 78 -9.916 11.610 2.869 1142 HB2 LYS 78 HB2 LYS 78 -9.513 10.688 5.723 1143 HB3 LYS 78 HB1 LYS 78 -10.923 10.323 4.740 1144 HG2 LYS 78 HG2 LYS 78 -9.414 9.162 3.132 1145 HG3 LYS 78 HG1 LYS 78 -8.093 9.411 4.275 1146 HD2 LYS 78 HD2 LYS 78 -9.345 8.161 5.982 1147 HD3 LYS 78 HD1 LYS 78 -10.650 7.898 4.822 1148 HE2 LYS 78 HE2 LYS 78 -9.301 5.922 4.893 1149 HE3 LYS 78 HE1 LYS 78 -9.019 6.725 3.351 1150 HZ1 LYS 78 HZ1 LYS 78 -6.977 7.651 4.254 1151 HZ2 LYS 78 HZ2 LYS 78 -6.951 5.960 4.327 1152 HZ3 LYS 78 HZ3 LYS 78 -7.246 6.868 5.734 1153 H GLY 79 HN GLY 79 -8.757 13.763 5.191 1154 HA2 GLY 79 HA2 GLY 79 -11.363 14.889 5.823 1155 HA3 GLY 79 HA1 GLY 79 -9.800 15.487 6.371 1156 H SER 80 HN SER 80 -11.876 15.211 3.537 1157 HA SER 80 HA SER 80 -10.469 17.007 1.897 1158 HB2 SER 80 HB2 SER 80 -12.786 17.152 0.739 1159 HB3 SER 80 HB1 SER 80 -11.973 15.588 0.788 1160 HG SER 80 HG SER 80 -14.014 16.490 2.553 Start of MODEL 6 1 H1 VAL 1 HT1 VAL 1 27.434 13.641 -13.455 2 H2 VAL 1 HT2 VAL 1 26.854 14.658 -14.677 3 H3 VAL 1 HT3 VAL 1 25.911 14.365 -13.299 4 HA VAL 1 HA VAL 1 28.491 15.803 -13.397 5 HB VAL 1 HB VAL 1 26.676 17.165 -14.254 6 HG11 VAL 1 HG11 VAL 1 24.776 16.001 -13.304 7 HG12 VAL 1 HG12 VAL 1 24.710 17.714 -12.890 8 HG13 VAL 1 HG13 VAL 1 25.231 16.535 -11.686 9 HG21 VAL 1 HG21 VAL 1 27.397 17.945 -11.431 10 HG22 VAL 1 HG22 VAL 1 26.758 19.030 -12.667 11 HG23 VAL 1 HG23 VAL 1 28.340 18.281 -12.882 12 H ALA 2 HN ALA 2 29.611 15.799 -11.571 13 HA ALA 2 HA ALA 2 28.649 14.255 -9.364 14 HB1 ALA 2 HB1 ALA 2 31.217 15.802 -9.666 15 HB2 ALA 2 HB2 ALA 2 30.968 14.104 -10.075 16 HB3 ALA 2 HB3 ALA 2 30.857 14.631 -8.397 17 H SER 3 HN SER 3 26.814 15.634 -8.835 18 HA SER 3 HA SER 3 27.446 18.003 -7.271 19 HB2 SER 3 HB2 SER 3 24.802 16.563 -7.655 20 HB3 SER 3 HB1 SER 3 25.024 18.150 -6.917 21 HG SER 3 HG SER 3 24.763 18.863 -8.874 22 H LYS 4 HN LYS 4 27.341 18.090 -5.014 23 HA LYS 4 HA LYS 4 27.925 15.559 -3.769 24 HB2 LYS 4 HB2 LYS 4 29.291 17.417 -3.124 25 HB3 LYS 4 HB1 LYS 4 27.881 18.375 -2.689 26 HG2 LYS 4 HG2 LYS 4 27.485 17.152 -0.754 27 HG3 LYS 4 HG1 LYS 4 28.466 15.791 -1.301 28 HD2 LYS 4 HD2 LYS 4 30.490 17.094 -1.026 29 HD3 LYS 4 HD1 LYS 4 29.543 18.519 -0.590 30 HE2 LYS 4 HE2 LYS 4 28.799 17.505 1.428 31 HE3 LYS 4 HE1 LYS 4 29.435 15.934 0.947 32 HZ1 LYS 4 HZ1 LYS 4 30.751 17.309 2.622 33 HZ2 LYS 4 HZ2 LYS 4 31.235 18.255 1.296 34 HZ3 LYS 4 HZ3 LYS 4 31.600 16.600 1.344 35 H ALA 5 HN ALA 5 26.382 14.255 -3.187 36 HA ALA 5 HA ALA 5 23.954 15.358 -1.937 37 HB1 ALA 5 HB1 ALA 5 23.548 13.977 -3.923 38 HB2 ALA 5 HB2 ALA 5 22.892 13.224 -2.469 39 HB3 ALA 5 HB3 ALA 5 24.403 12.634 -3.160 40 H ILE 6 HN ILE 6 24.173 15.400 0.213 41 HA ILE 6 HA ILE 6 26.002 13.496 1.489 42 HB ILE 6 HB ILE 6 24.688 15.700 3.013 43 HG12 ILE 6 HG12 ILE 6 27.075 16.149 1.207 44 HG13 ILE 6 HG11 ILE 6 25.444 16.696 0.833 45 HG21 ILE 6 HG21 ILE 6 26.156 14.124 4.147 46 HG22 ILE 6 HG22 ILE 6 26.861 15.740 4.142 47 HG23 ILE 6 HG23 ILE 6 27.462 14.514 3.026 48 HD11 ILE 6 HD11 ILE 6 25.467 18.086 2.848 49 HD12 ILE 6 HD12 ILE 6 26.768 18.503 1.734 50 HD13 ILE 6 HD13 ILE 6 27.116 17.557 3.180 51 H PHE 7 HN PHE 7 25.159 11.728 2.386 52 HA PHE 7 HA PHE 7 22.315 11.751 3.101 53 HB2 PHE 7 HB2 PHE 7 23.066 10.049 1.469 54 HB3 PHE 7 HB1 PHE 7 24.173 9.400 2.673 55 HD1 PHE 7 HD1 PHE 7 20.548 10.224 2.326 56 HD2 PHE 7 HD2 PHE 7 23.489 7.547 3.840 57 HE1 PHE 7 HE1 PHE 7 18.767 8.728 3.127 58 HE2 PHE 7 HE2 PHE 7 21.714 6.046 4.646 59 HZ PHE 7 HZ PHE 7 19.350 6.635 4.289 60 H TYR 8 HN TYR 8 22.242 12.549 5.129 61 HA TYR 8 HA TYR 8 23.986 11.516 7.212 62 HB2 TYR 8 HB2 TYR 8 21.759 13.553 7.182 63 HB3 TYR 8 HB1 TYR 8 22.476 12.987 8.684 64 HD1 TYR 8 HD1 TYR 8 23.249 14.733 5.494 65 HD2 TYR 8 HD2 TYR 8 24.479 13.912 9.483 66 HE1 TYR 8 HE1 TYR 8 24.984 16.466 5.312 67 HE2 TYR 8 HE2 TYR 8 26.221 15.637 9.310 68 HH TYR 8 HH TYR 8 27.408 16.930 7.806 69 H HIS 9 HN HIS 9 23.529 9.515 7.931 70 HA HIS 9 HA HIS 9 20.690 8.871 8.396 71 HB2 HIS 9 HB2 HIS 9 21.122 6.562 7.882 72 HB3 HIS 9 HB1 HIS 9 21.712 7.542 6.550 73 HD2 HIS 9 HD2 HIS 9 24.632 7.901 6.666 74 HE1 HIS 9 HE1 HIS 9 25.063 4.181 8.630 75 HE2 HIS 9 HE2 HIS 9 26.264 5.994 7.333 76 H ALA 10 HN ALA 10 20.322 7.264 10.134 77 HA ALA 10 HA ALA 10 22.059 7.932 12.397 78 HB1 ALA 10 HB1 ALA 10 20.188 7.300 13.812 79 HB2 ALA 10 HB2 ALA 10 19.275 6.771 12.397 80 HB3 ALA 10 HB3 ALA 10 19.676 8.476 12.602 81 H GLY 11 HN GLY 11 21.686 5.468 10.229 82 HA2 GLY 11 HA2 GLY 11 22.774 3.415 10.217 83 HA3 GLY 11 HA1 GLY 11 23.133 3.625 11.924 84 H CYS 12 HN CYS 12 19.955 4.251 11.663 85 HA CYS 12 HA CYS 12 19.112 1.849 12.880 86 HB2 CYS 12 HB2 CYS 12 17.429 3.976 11.530 87 HB3 CYS 12 HB1 CYS 12 16.864 2.794 12.707 88 HG CYS 12 HG CYS 12 16.926 5.064 14.175 89 HA PRO 13 HA PRO 13 18.186 -1.019 9.644 90 HB2 PRO 13 HB2 PRO 13 15.449 -1.442 10.158 91 HB3 PRO 13 HB1 PRO 13 16.801 -2.374 10.808 92 HG2 PRO 13 HG2 PRO 13 15.252 -0.158 12.051 93 HG3 PRO 13 HG1 PRO 13 15.992 -1.579 12.808 94 HD2 PRO 13 HD2 PRO 13 17.085 0.849 13.042 95 HD3 PRO 13 HD1 PRO 13 18.096 -0.601 12.870 96 H VAL 14 HN VAL 14 15.652 1.435 10.129 97 HA VAL 14 HA VAL 14 14.578 1.357 7.538 98 HB VAL 14 HB VAL 14 14.713 3.722 9.421 99 HG11 VAL 14 HG11 VAL 14 12.882 3.191 7.083 100 HG12 VAL 14 HG12 VAL 14 14.165 4.398 7.146 101 HG13 VAL 14 HG13 VAL 14 12.759 4.552 8.200 102 HG21 VAL 14 HG21 VAL 14 13.664 1.791 10.464 103 HG22 VAL 14 HG22 VAL 14 12.595 1.602 9.075 104 HG23 VAL 14 HG23 VAL 14 12.457 3.027 10.105 105 H CYS 15 HN CYS 15 17.298 3.151 8.883 106 HA CYS 15 HA CYS 15 17.800 4.766 6.608 107 HB2 CYS 15 HB2 CYS 15 19.747 3.839 8.733 108 HB3 CYS 15 HB1 CYS 15 19.984 5.185 7.628 109 HG CYS 15 HG CYS 15 17.280 6.053 8.938 110 H VAL 16 HN VAL 16 18.868 1.575 7.633 111 HA VAL 16 HA VAL 16 20.803 1.148 5.627 112 HB VAL 16 HB VAL 16 19.097 -0.913 7.042 113 HG11 VAL 16 HG11 VAL 16 20.913 -2.472 6.511 114 HG12 VAL 16 HG12 VAL 16 21.735 -1.202 5.604 115 HG13 VAL 16 HG13 VAL 16 20.176 -1.813 5.050 116 HG21 VAL 16 HG21 VAL 16 21.807 0.204 7.754 117 HG22 VAL 16 HG22 VAL 16 21.008 -1.140 8.570 118 HG23 VAL 16 HG23 VAL 16 20.301 0.475 8.631 119 H SER 17 HN SER 17 17.353 0.274 5.797 120 HA SER 17 HA SER 17 17.146 -0.920 3.280 121 HB2 SER 17 HB2 SER 17 15.023 0.673 4.739 122 HB3 SER 17 HB1 SER 17 14.744 -0.534 3.483 123 HG SER 17 HG SER 17 14.771 -1.963 5.006 124 H ALA 18 HN ALA 18 16.879 2.470 4.251 125 HA ALA 18 HA ALA 18 16.120 3.513 1.745 126 HB1 ALA 18 HB1 ALA 18 17.710 4.860 3.930 127 HB2 ALA 18 HB2 ALA 18 15.950 4.786 3.836 128 HB3 ALA 18 HB3 ALA 18 16.862 5.666 2.610 129 H GLU 19 HN GLU 19 19.259 2.797 3.175 130 HA GLU 19 HA GLU 19 20.824 3.930 1.099 131 HB2 GLU 19 HB2 GLU 19 21.693 3.397 3.364 132 HB3 GLU 19 HB1 GLU 19 21.541 1.685 2.995 133 HG2 GLU 19 HG2 GLU 19 23.092 2.112 1.042 134 HG3 GLU 19 HG1 GLU 19 23.399 3.691 1.765 135 H GLN 20 HN GLN 20 19.712 0.620 1.758 136 HA GLN 20 HA GLN 20 21.035 -0.667 -0.332 137 HB2 GLN 20 HB2 GLN 20 18.368 -1.366 0.900 138 HB3 GLN 20 HB1 GLN 20 19.343 -2.444 -0.086 139 HG2 GLN 20 HG2 GLN 20 21.119 -2.371 1.587 140 HG3 GLN 20 HG1 GLN 20 20.139 -1.287 2.576 141 HE21 GLN 20 HE21 GLN 20 21.185 -3.909 3.244 142 HE22 GLN 20 HE22 GLN 20 19.814 -4.899 3.618 143 H ALA 21 HN ALA 21 17.995 1.093 -0.328 144 HA ALA 21 HA ALA 21 17.520 0.292 -3.104 145 HB1 ALA 21 HB1 ALA 21 15.662 0.032 -1.534 146 HB2 ALA 21 HB2 ALA 21 15.278 1.179 -2.817 147 HB3 ALA 21 HB3 ALA 21 15.698 1.764 -1.208 148 H VAL 22 HN VAL 22 17.224 3.333 -1.234 149 HA VAL 22 HA VAL 22 17.070 4.902 -3.600 150 HB VAL 22 HB VAL 22 17.632 5.847 -0.785 151 HG11 VAL 22 HG11 VAL 22 18.134 7.530 -2.464 152 HG12 VAL 22 HG12 VAL 22 16.683 7.973 -1.563 153 HG13 VAL 22 HG13 VAL 22 16.542 7.307 -3.190 154 HG21 VAL 22 HG21 VAL 22 14.993 5.506 -2.207 155 HG22 VAL 22 HG22 VAL 22 15.222 6.228 -0.615 156 HG23 VAL 22 HG23 VAL 22 15.586 4.522 -0.869 157 H ALA 23 HN ALA 23 19.655 4.436 -1.188 158 HA ALA 23 HA ALA 23 21.431 6.270 -2.456 159 HB1 ALA 23 HB1 ALA 23 22.060 4.102 -0.457 160 HB2 ALA 23 HB2 ALA 23 21.598 5.760 -0.073 161 HB3 ALA 23 HB3 ALA 23 23.117 5.439 -0.908 162 H ASN 24 HN ASN 24 20.557 3.063 -3.150 163 HA ASN 24 HA ASN 24 22.947 2.693 -4.810 164 HB2 ASN 24 HB2 ASN 24 20.903 0.800 -3.710 165 HB3 ASN 24 HB1 ASN 24 21.782 0.364 -5.171 166 HD21 ASN 24 HD21 ASN 24 22.060 1.077 -1.762 167 HD22 ASN 24 HD22 ASN 24 23.627 0.368 -1.546 168 H ALA 25 HN ALA 25 19.898 3.932 -4.987 169 HA ALA 25 HA ALA 25 19.402 3.194 -7.753 170 HB1 ALA 25 HB1 ALA 25 17.490 3.461 -6.253 171 HB2 ALA 25 HB2 ALA 25 17.427 4.638 -7.566 172 HB3 ALA 25 HB3 ALA 25 17.947 5.138 -5.956 173 H ILE 26 HN ILE 26 20.648 5.821 -5.851 174 HA ILE 26 HA ILE 26 21.137 7.442 -8.233 175 HB ILE 26 HB ILE 26 21.790 8.081 -5.347 176 HG12 ILE 26 HG12 ILE 26 19.419 9.002 -6.989 177 HG13 ILE 26 HG11 ILE 26 19.347 7.761 -5.742 178 HG21 ILE 26 HG21 ILE 26 21.958 10.390 -6.151 179 HG22 ILE 26 HG22 ILE 26 21.635 9.839 -7.795 180 HG23 ILE 26 HG23 ILE 26 23.110 9.336 -6.969 181 HD11 ILE 26 HD11 ILE 26 20.014 9.404 -4.069 182 HD12 ILE 26 HD12 ILE 26 18.550 9.901 -4.917 183 HD13 ILE 26 HD13 ILE 26 20.096 10.646 -5.319 184 H ASP 27 HN ASP 27 22.769 6.404 -9.298 185 HA ASP 27 HA ASP 27 24.945 5.097 -8.142 186 HB2 ASP 27 HB2 ASP 27 24.533 6.321 -10.859 187 HB3 ASP 27 HB1 ASP 27 26.071 5.587 -10.417 188 HA PRO 28 HA PRO 28 27.361 8.430 -6.494 189 HB2 PRO 28 HB2 PRO 28 29.581 6.485 -6.747 190 HB3 PRO 28 HB1 PRO 28 28.990 7.343 -5.320 191 HG2 PRO 28 HG2 PRO 28 28.506 4.743 -5.646 192 HG3 PRO 28 HG1 PRO 28 27.282 5.821 -4.948 193 HD2 PRO 28 HD2 PRO 28 27.468 4.709 -7.723 194 HD3 PRO 28 HD1 PRO 28 26.042 4.910 -6.685 195 H SER 29 HN SER 29 28.004 6.821 -9.487 196 HA SER 29 HA SER 29 30.051 8.729 -10.278 197 HB2 SER 29 HB2 SER 29 28.654 6.636 -11.964 198 HB3 SER 29 HB1 SER 29 30.148 7.486 -12.355 199 HG SER 29 HG SER 29 30.654 6.441 -10.060 200 H LYS 30 HN LYS 30 26.648 8.285 -10.475 201 HA LYS 30 HA LYS 30 26.198 10.178 -12.602 202 HB2 LYS 30 HB2 LYS 30 24.658 8.262 -12.082 203 HB3 LYS 30 HB1 LYS 30 24.254 9.051 -10.567 204 HG2 LYS 30 HG2 LYS 30 23.353 10.964 -11.840 205 HG3 LYS 30 HG1 LYS 30 23.695 10.092 -13.337 206 HD2 LYS 30 HD2 LYS 30 22.207 8.281 -12.620 207 HD3 LYS 30 HD1 LYS 30 21.870 9.149 -11.123 208 HE2 LYS 30 HE2 LYS 30 20.054 9.485 -12.671 209 HE3 LYS 30 HE1 LYS 30 20.923 11.004 -12.453 210 HZ1 LYS 30 HZ1 LYS 30 22.044 10.645 -14.542 211 HZ2 LYS 30 HZ2 LYS 30 20.370 10.572 -14.782 212 HZ3 LYS 30 HZ3 LYS 30 21.285 9.139 -14.744 213 H TYR 31 HN TYR 31 25.741 10.060 -9.088 214 HA TYR 31 HA TYR 31 26.423 12.907 -8.935 215 HB2 TYR 31 HB2 TYR 31 24.095 11.640 -7.459 216 HB3 TYR 31 HB1 TYR 31 24.694 13.274 -7.202 217 HD1 TYR 31 HD2 TYR 31 24.499 14.947 -9.090 218 HD2 TYR 31 HD1 TYR 31 22.553 11.165 -9.167 219 HE1 TYR 31 HE2 TYR 31 22.986 15.765 -10.848 220 HE2 TYR 31 HE1 TYR 31 21.039 11.975 -10.924 221 HH TYR 31 HH TYR 31 20.183 14.027 -11.822 222 H THR 32 HN THR 32 27.727 13.377 -7.176 223 HA THR 32 HA THR 32 28.982 11.115 -5.947 224 HB THR 32 HB THR 32 30.220 13.038 -4.677 225 HG1 THR 32 HG1 THR 32 28.492 14.542 -5.595 226 HG21 THR 32 HG21 THR 32 31.712 13.337 -6.604 227 HG22 THR 32 HG22 THR 32 30.479 12.650 -7.661 228 HG23 THR 32 HG23 THR 32 31.229 11.652 -6.415 229 H VAL 33 HN VAL 33 27.801 10.087 -4.462 230 HA VAL 33 HA VAL 33 26.291 11.567 -2.467 231 HB VAL 33 HB VAL 33 26.588 8.575 -2.806 232 HG11 VAL 33 HG11 VAL 33 24.604 10.201 -1.219 233 HG12 VAL 33 HG12 VAL 33 25.891 9.187 -0.565 234 HG13 VAL 33 HG13 VAL 33 24.548 8.452 -1.442 235 HG21 VAL 33 HG21 VAL 33 24.407 10.415 -3.782 236 HG22 VAL 33 HG22 VAL 33 24.385 8.655 -3.879 237 HG23 VAL 33 HG23 VAL 33 25.586 9.574 -4.788 238 H GLU 34 HN GLU 34 26.924 11.893 -0.430 239 HA GLU 34 HA GLU 34 29.364 10.530 0.508 240 HB2 GLU 34 HB2 GLU 34 29.588 12.995 0.167 241 HB3 GLU 34 HB1 GLU 34 28.319 13.241 1.359 242 HG2 GLU 34 HG2 GLU 34 29.700 12.227 3.076 243 HG3 GLU 34 HG1 GLU 34 30.962 11.899 1.889 244 H ILE 35 HN ILE 35 28.656 8.886 1.717 245 HA ILE 35 HA ILE 35 26.294 9.014 3.337 246 HB ILE 35 HB ILE 35 28.532 6.978 3.381 247 HG12 ILE 35 HG12 ILE 35 27.508 7.149 1.159 248 HG13 ILE 35 HG11 ILE 35 27.091 5.622 1.929 249 HG21 ILE 35 HG21 ILE 35 27.181 6.899 5.396 250 HG22 ILE 35 HG22 ILE 35 26.871 5.484 4.390 251 HG23 ILE 35 HG23 ILE 35 25.710 6.811 4.426 252 HD11 ILE 35 HD11 ILE 35 25.319 8.047 1.727 253 HD12 ILE 35 HD12 ILE 35 24.897 6.526 2.514 254 HD13 ILE 35 HD13 ILE 35 25.185 6.569 0.774 255 H VAL 36 HN VAL 36 26.149 9.963 5.271 256 HA VAL 36 HA VAL 36 28.540 10.043 6.996 257 HB VAL 36 HB VAL 36 26.536 12.289 6.666 258 HG11 VAL 36 HG11 VAL 36 27.372 12.123 8.950 259 HG12 VAL 36 HG12 VAL 36 28.011 13.559 8.149 260 HG13 VAL 36 HG13 VAL 36 29.033 12.136 8.354 261 HG21 VAL 36 HG21 VAL 36 28.028 12.139 4.748 262 HG22 VAL 36 HG22 VAL 36 29.427 12.133 5.821 263 HG23 VAL 36 HG23 VAL 36 28.400 13.564 5.718 264 H HIS 37 HN HIS 37 28.193 9.176 8.937 265 HA HIS 37 HA HIS 37 25.497 8.471 9.743 266 HB2 HIS 37 HB2 HIS 37 27.563 6.961 9.968 267 HB3 HIS 37 HB1 HIS 37 28.027 7.988 11.320 268 HD2 HIS 37 HD2 HIS 37 25.717 5.053 10.500 269 HE1 HIS 37 HE1 HIS 37 24.925 6.244 14.475 270 HE2 HIS 37 HE2 HIS 37 24.356 4.587 12.659 271 H LEU 38 HN LEU 38 24.287 9.778 10.957 272 HA LEU 38 HA LEU 38 25.648 11.835 12.577 273 HB2 LEU 38 HB2 LEU 38 24.195 12.656 10.728 274 HB3 LEU 38 HB1 LEU 38 22.828 11.863 11.487 275 HG LEU 38 HG LEU 38 23.070 13.330 13.451 276 HD11 LEU 38 HD11 LEU 38 25.244 14.645 11.835 277 HD12 LEU 38 HD12 LEU 38 25.457 13.740 13.333 278 HD13 LEU 38 HD13 LEU 38 24.566 15.263 13.341 279 HD21 LEU 38 HD21 LEU 38 21.559 13.997 11.672 280 HD22 LEU 38 HD22 LEU 38 22.882 14.799 10.826 281 HD23 LEU 38 HD23 LEU 38 22.335 15.409 12.388 282 H GLY 39 HN GLY 39 24.397 8.912 12.962 283 HA2 GLY 39 HA2 GLY 39 22.546 9.371 15.124 284 HA3 GLY 39 HA1 GLY 39 23.160 7.814 14.589 285 H THR 40 HN THR 40 25.959 8.666 14.824 286 HA THR 40 HA THR 40 26.204 8.185 17.692 287 HB THR 40 HB THR 40 28.429 8.202 15.650 288 HG1 THR 40 HG1 THR 40 27.336 6.559 14.848 289 HG21 THR 40 HG21 THR 40 28.132 6.826 18.325 290 HG22 THR 40 HG22 THR 40 29.125 8.246 17.998 291 HG23 THR 40 HG23 THR 40 29.525 6.701 17.249 292 H ASP 41 HN ASP 41 27.216 10.470 15.216 293 HA ASP 41 HA ASP 41 28.922 11.977 16.954 294 HB2 ASP 41 HB2 ASP 41 29.116 11.701 14.409 295 HB3 ASP 41 HB1 ASP 41 27.827 12.893 14.296 296 H LYS 42 HN LYS 42 27.892 12.939 18.637 297 HA LYS 42 HA LYS 42 25.386 14.326 18.264 298 HB2 LYS 42 HB2 LYS 42 27.189 13.892 20.629 299 HB3 LYS 42 HB1 LYS 42 25.843 15.019 20.705 300 HG2 LYS 42 HG2 LYS 42 24.316 13.170 20.092 301 HG3 LYS 42 HG1 LYS 42 25.689 12.062 20.160 302 HD2 LYS 42 HD2 LYS 42 25.997 12.467 22.489 303 HD3 LYS 42 HD1 LYS 42 24.847 13.804 22.469 304 HE2 LYS 42 HE2 LYS 42 23.833 11.836 23.458 305 HE3 LYS 42 HE1 LYS 42 23.043 12.231 21.933 306 HZ1 LYS 42 HZ1 LYS 42 25.107 10.124 22.317 307 HZ2 LYS 42 HZ2 LYS 42 24.335 10.498 20.853 308 HZ3 LYS 42 HZ3 LYS 42 23.440 9.860 22.140 309 H ALA 43 HN ALA 43 28.617 15.093 17.794 310 HA ALA 43 HA ALA 43 28.418 17.889 18.501 311 HB1 ALA 43 HB1 ALA 43 30.542 16.436 16.921 312 HB2 ALA 43 HB2 ALA 43 30.569 16.723 18.662 313 HB3 ALA 43 HB3 ALA 43 30.656 18.084 17.543 314 H ARG 44 HN ARG 44 28.133 15.868 15.668 315 HA ARG 44 HA ARG 44 28.011 18.044 13.819 316 HB2 ARG 44 HB2 ARG 44 27.721 15.104 13.661 317 HB3 ARG 44 HB1 ARG 44 26.944 16.049 12.396 318 HG2 ARG 44 HG2 ARG 44 29.071 17.130 11.892 319 HG3 ARG 44 HG1 ARG 44 29.852 16.180 13.158 320 HD2 ARG 44 HD2 ARG 44 29.472 14.152 11.984 321 HD3 ARG 44 HD1 ARG 44 28.394 14.946 10.835 322 HE ARG 44 HE ARG 44 30.247 15.911 9.775 323 HH11 ARG 44 HH11 ARG 44 31.187 13.922 12.507 324 HH12 ARG 44 HH12 ARG 44 32.843 13.769 11.982 325 HH21 ARG 44 HH21 ARG 44 32.419 15.721 9.094 326 HH22 ARG 44 HH22 ARG 44 33.537 14.791 10.042 327 H ILE 45 HN ILE 45 25.828 17.185 16.116 328 HA ILE 45 HA ILE 45 23.389 17.572 14.754 329 HB ILE 45 HB ILE 45 24.130 18.338 17.588 330 HG12 ILE 45 HG12 ILE 45 22.704 15.912 16.465 331 HG13 ILE 45 HG11 ILE 45 24.340 15.938 17.112 332 HG21 ILE 45 HG21 ILE 45 21.403 18.104 16.315 333 HG22 ILE 45 HG22 ILE 45 22.184 19.600 16.826 334 HG23 ILE 45 HG23 ILE 45 21.720 18.394 18.026 335 HD11 ILE 45 HD11 ILE 45 22.778 14.998 18.706 336 HD12 ILE 45 HD12 ILE 45 21.819 16.478 18.662 337 HD13 ILE 45 HD13 ILE 45 23.458 16.507 19.314 338 H ALA 46 HN ALA 46 25.849 19.768 15.960 339 HA ALA 46 HA ALA 46 24.496 22.187 15.343 340 HB1 ALA 46 HB1 ALA 46 26.713 23.225 15.483 341 HB2 ALA 46 HB2 ALA 46 27.459 21.627 15.507 342 HB3 ALA 46 HB3 ALA 46 26.423 22.137 16.840 343 H GLU 47 HN GLU 47 26.503 19.961 13.540 344 HA GLU 47 HA GLU 47 26.724 21.571 11.193 345 HB2 GLU 47 HB2 GLU 47 28.338 19.776 11.750 346 HB3 GLU 47 HB1 GLU 47 27.073 18.580 11.510 347 HG2 GLU 47 HG2 GLU 47 26.938 19.088 9.180 348 HG3 GLU 47 HG1 GLU 47 28.024 20.464 9.368 349 H ALA 48 HN ALA 48 24.413 19.283 12.434 350 HA ALA 48 HA ALA 48 22.927 18.811 10.106 351 HB1 ALA 48 HB1 ALA 48 21.912 19.020 12.943 352 HB2 ALA 48 HB2 ALA 48 22.578 17.568 12.193 353 HB3 ALA 48 HB3 ALA 48 21.073 18.261 11.589 354 H GLU 49 HN GLU 49 22.526 21.309 12.623 355 HA GLU 49 HA GLU 49 20.514 22.763 11.262 356 HB2 GLU 49 HB2 GLU 49 22.557 23.891 13.182 357 HB3 GLU 49 HB1 GLU 49 20.977 24.560 12.807 358 HG2 GLU 49 HG2 GLU 49 19.973 22.488 13.791 359 HG3 GLU 49 HG1 GLU 49 21.591 22.051 14.338 360 H LYS 50 HN LYS 50 23.950 22.646 11.002 361 HA LYS 50 HA LYS 50 24.380 25.107 9.652 362 HB2 LYS 50 HB2 LYS 50 26.144 23.960 10.874 363 HB3 LYS 50 HB1 LYS 50 26.016 22.571 9.810 364 HG2 LYS 50 HG2 LYS 50 26.864 23.886 7.956 365 HG3 LYS 50 HG1 LYS 50 26.934 25.319 8.990 366 HD2 LYS 50 HD2 LYS 50 28.553 24.232 10.434 367 HD3 LYS 50 HD1 LYS 50 28.436 22.747 9.491 368 HE2 LYS 50 HE2 LYS 50 29.379 25.392 8.395 369 HE3 LYS 50 HE1 LYS 50 30.451 24.126 8.994 370 HZ1 LYS 50 HZ1 LYS 50 30.219 24.033 6.591 371 HZ2 LYS 50 HZ2 LYS 50 28.542 23.849 6.732 372 HZ3 LYS 50 HZ3 LYS 50 29.578 22.635 7.305 373 H ALA 51 HN ALA 51 23.789 21.795 8.585 374 HA ALA 51 HA ALA 51 24.052 22.559 5.789 375 HB1 ALA 51 HB1 ALA 51 23.767 20.193 5.308 376 HB2 ALA 51 HB2 ALA 51 23.395 19.879 7.003 377 HB3 ALA 51 HB3 ALA 51 25.003 20.434 6.542 378 H GLY 52 HN GLY 52 21.546 21.700 8.095 379 HA2 GLY 52 HA2 GLY 52 19.321 22.653 7.684 380 HA3 GLY 52 HA1 GLY 52 19.540 22.237 5.989 381 H VAL 53 HN VAL 53 20.663 20.006 8.336 382 HA VAL 53 HA VAL 53 18.727 18.035 7.477 383 HB VAL 53 HB VAL 53 20.950 17.781 9.515 384 HG11 VAL 53 HG11 VAL 53 20.725 15.369 9.125 385 HG12 VAL 53 HG12 VAL 53 19.353 15.674 8.060 386 HG13 VAL 53 HG13 VAL 53 19.243 16.070 9.775 387 HG21 VAL 53 HG21 VAL 53 21.865 18.380 7.356 388 HG22 VAL 53 HG22 VAL 53 20.923 17.109 6.575 389 HG23 VAL 53 HG23 VAL 53 22.212 16.686 7.702 390 H LYS 54 HN LYS 54 16.775 18.113 8.380 391 HA LYS 54 HA LYS 54 16.524 19.093 11.133 392 HB2 LYS 54 HB2 LYS 54 14.391 18.740 9.019 393 HB3 LYS 54 HB1 LYS 54 14.187 19.521 10.584 394 HG2 LYS 54 HG2 LYS 54 15.685 21.293 9.952 395 HG3 LYS 54 HG1 LYS 54 16.066 20.480 8.434 396 HD2 LYS 54 HD2 LYS 54 13.666 20.692 7.798 397 HD3 LYS 54 HD1 LYS 54 13.410 21.648 9.258 398 HE2 LYS 54 HE2 LYS 54 15.357 22.340 7.060 399 HE3 LYS 54 HE1 LYS 54 13.743 23.029 7.227 400 HZ1 LYS 54 HZ1 LYS 54 15.561 24.429 8.138 401 HZ2 LYS 54 HZ2 LYS 54 15.842 23.241 9.322 402 HZ3 LYS 54 HZ3 LYS 54 14.353 24.049 9.268 403 H SER 55 HN SER 55 16.302 16.249 9.261 404 HA SER 55 HA SER 55 15.704 14.730 11.652 405 HB2 SER 55 HB2 SER 55 13.966 14.471 9.179 406 HB3 SER 55 HB1 SER 55 13.891 13.427 10.599 407 HG SER 55 HG SER 55 13.705 16.096 11.196 408 H VAL 56 HN VAL 56 16.010 12.359 11.243 409 HA VAL 56 HA VAL 56 17.762 11.883 8.924 410 HB VAL 56 HB VAL 56 19.026 10.239 10.315 411 HG11 VAL 56 HG11 VAL 56 19.073 13.091 11.296 412 HG12 VAL 56 HG12 VAL 56 19.932 12.456 9.893 413 HG13 VAL 56 HG13 VAL 56 20.362 11.908 11.514 414 HG21 VAL 56 HG21 VAL 56 17.357 9.852 12.053 415 HG22 VAL 56 HG22 VAL 56 17.537 11.515 12.610 416 HG23 VAL 56 HG23 VAL 56 18.884 10.387 12.754 417 HA PRO 57 HA PRO 57 18.780 10.247 8.114 418 HB2 PRO 57 HB2 PRO 57 18.610 8.792 5.870 419 HB3 PRO 57 HB1 PRO 57 18.949 8.047 7.436 420 HG2 PRO 57 HG2 PRO 57 16.413 8.111 5.875 421 HG3 PRO 57 HG1 PRO 57 17.080 6.818 6.886 422 HD2 PRO 57 HD2 PRO 57 15.093 8.622 7.651 423 HD3 PRO 57 HD1 PRO 57 16.060 7.621 8.749 424 H ALA 58 HN ALA 58 19.395 11.741 6.606 425 HA ALA 58 HA ALA 58 17.293 12.799 4.829 426 HB1 ALA 58 HB1 ALA 58 19.313 14.437 6.356 427 HB2 ALA 58 HB2 ALA 58 17.604 14.283 6.762 428 HB3 ALA 58 HB3 ALA 58 18.085 15.055 5.251 429 H LEU 59 HN LEU 59 17.861 12.852 2.769 430 HA LEU 59 HA LEU 59 20.704 12.615 2.080 431 HB2 LEU 59 HB2 LEU 59 18.661 11.125 1.203 432 HB3 LEU 59 HB1 LEU 59 18.557 12.419 0.028 433 HG LEU 59 HG LEU 59 21.019 10.738 0.518 434 HD11 LEU 59 HD11 LEU 59 18.985 10.619 -1.703 435 HD12 LEU 59 HD12 LEU 59 19.216 9.414 -0.437 436 HD13 LEU 59 HD13 LEU 59 20.486 9.695 -1.629 437 HD21 LEU 59 HD21 LEU 59 21.836 11.743 -1.549 438 HD22 LEU 59 HD22 LEU 59 21.533 12.972 -0.322 439 HD23 LEU 59 HD23 LEU 59 20.386 12.742 -1.642 440 H VAL 60 HN VAL 60 21.545 14.604 2.027 441 HA VAL 60 HA VAL 60 20.028 16.861 1.015 442 HB VAL 60 HB VAL 60 22.909 16.784 1.931 443 HG11 VAL 60 HG11 VAL 60 20.978 19.081 1.627 444 HG12 VAL 60 HG12 VAL 60 22.358 18.734 0.585 445 HG13 VAL 60 HG13 VAL 60 22.618 19.193 2.268 446 HG21 VAL 60 HG21 VAL 60 21.446 16.006 3.716 447 HG22 VAL 60 HG22 VAL 60 20.428 17.434 3.520 448 HG23 VAL 60 HG23 VAL 60 22.089 17.606 4.086 449 H ILE 61 HN ILE 61 19.791 16.698 -1.167 450 HA ILE 61 HA ILE 61 22.074 15.933 -2.815 451 HB ILE 61 HB ILE 61 19.253 16.620 -3.671 452 HG12 ILE 61 HG12 ILE 61 20.523 13.903 -3.250 453 HG13 ILE 61 HG11 ILE 61 19.336 14.643 -2.180 454 HG21 ILE 61 HG21 ILE 61 19.868 15.471 -5.757 455 HG22 ILE 61 HG22 ILE 61 21.511 15.268 -5.149 456 HG23 ILE 61 HG23 ILE 61 20.878 16.885 -5.457 457 HD11 ILE 61 HD11 ILE 61 18.885 13.845 -5.047 458 HD12 ILE 61 HD12 ILE 61 17.694 14.604 -3.990 459 HD13 ILE 61 HD13 ILE 61 18.304 12.992 -3.617 460 H ASP 62 HN ASP 62 23.482 17.538 -3.117 461 HA ASP 62 HA ASP 62 24.381 19.400 -4.057 462 HB2 ASP 62 HB2 ASP 62 22.871 19.210 -5.923 463 HB3 ASP 62 HB1 ASP 62 21.551 19.903 -4.992 464 H GLY 63 HN GLY 63 21.775 19.586 -1.853 465 HA2 GLY 63 HA2 GLY 63 22.635 21.338 -0.052 466 HA3 GLY 63 HA1 GLY 63 22.118 22.429 -1.331 467 H ALA 64 HN ALA 64 20.057 20.105 -1.867 468 HA ALA 64 HA ALA 64 18.057 21.144 0.001 469 HB1 ALA 64 HB1 ALA 64 17.492 21.214 -2.372 470 HB2 ALA 64 HB2 ALA 64 16.408 20.132 -1.496 471 HB3 ALA 64 HB3 ALA 64 17.710 19.467 -2.485 472 H ALA 65 HN ALA 65 17.632 20.020 1.776 473 HA ALA 65 HA ALA 65 18.616 17.311 2.049 474 HB1 ALA 65 HB1 ALA 65 17.988 17.532 4.390 475 HB2 ALA 65 HB2 ALA 65 17.164 19.052 4.038 476 HB3 ALA 65 HB3 ALA 65 18.915 18.936 3.859 477 H PHE 66 HN PHE 66 17.439 15.670 1.317 478 HA PHE 66 HA PHE 66 14.517 15.798 1.591 479 HB2 PHE 66 HB2 PHE 66 16.261 14.000 -0.106 480 HB3 PHE 66 HB1 PHE 66 14.507 13.876 0.000 481 HD1 PHE 66 HD2 PHE 66 13.107 15.795 -0.781 482 HD2 PHE 66 HD1 PHE 66 17.287 15.562 -1.528 483 HE1 PHE 66 HE2 PHE 66 12.875 17.469 -2.569 484 HE2 PHE 66 HE1 PHE 66 17.064 17.237 -3.316 485 HZ PHE 66 HZ PHE 66 14.856 18.192 -3.838 486 H HIS 67 HN HIS 67 13.851 14.987 3.441 487 HA HIS 67 HA HIS 67 15.382 13.024 4.891 488 HB2 HIS 67 HB2 HIS 67 12.634 14.144 5.493 489 HB3 HIS 67 HB1 HIS 67 13.674 13.272 6.614 490 HD1 HIS 67 HD1 HIS 67 13.173 16.647 5.071 491 HD2 HIS 67 HD2 HIS 67 15.820 14.740 7.642 492 HE1 HIS 67 HE1 HIS 67 14.540 18.472 6.166 493 H ILE 68 HN ILE 68 15.227 10.901 4.586 494 HA ILE 68 HA ILE 68 12.934 9.886 3.060 495 HB ILE 68 HB ILE 68 15.585 8.534 3.594 496 HG12 ILE 68 HG12 ILE 68 14.612 9.924 1.084 497 HG13 ILE 68 HG11 ILE 68 15.789 10.592 2.211 498 HG21 ILE 68 HG21 ILE 68 13.352 7.837 1.689 499 HG22 ILE 68 HG22 ILE 68 13.769 6.967 3.165 500 HG23 ILE 68 HG23 ILE 68 14.899 6.999 1.811 501 HD11 ILE 68 HD11 ILE 68 16.127 8.081 0.588 502 HD12 ILE 68 HD12 ILE 68 17.309 8.752 1.713 503 HD13 ILE 68 HD13 ILE 68 16.870 9.645 0.257 504 H ASN 69 HN ASN 69 11.379 9.426 4.483 505 HA ASN 69 HA ASN 69 10.192 8.331 6.069 506 HB2 ASN 69 HB2 ASN 69 12.610 6.528 6.093 507 HB3 ASN 69 HB1 ASN 69 11.208 6.248 7.119 508 HD21 ASN 69 HD21 ASN 69 12.345 4.655 4.933 509 HD22 ASN 69 HD22 ASN 69 11.053 4.417 3.813 510 H PHE 70 HN PHE 70 9.732 9.155 7.970 511 HA PHE 70 HA PHE 70 11.706 10.613 9.416 512 HB2 PHE 70 HB2 PHE 70 9.348 11.359 9.228 513 HB3 PHE 70 HB1 PHE 70 8.855 9.982 10.206 514 HD1 PHE 70 HD2 PHE 70 10.903 13.068 10.264 515 HD2 PHE 70 HD1 PHE 70 8.871 10.101 12.540 516 HE1 PHE 70 HE2 PHE 70 11.256 14.397 12.303 517 HE2 PHE 70 HE1 PHE 70 9.220 11.424 14.585 518 HZ PHE 70 HZ PHE 70 10.415 13.574 14.467 519 H GLY 71 HN GLY 71 13.241 9.257 10.237 520 HA2 GLY 71 HA2 GLY 71 12.434 7.121 12.049 521 HA3 GLY 71 HA1 GLY 71 14.081 7.534 11.588 522 H ALA 72 HN ALA 72 14.645 9.893 12.296 523 HA ALA 72 HA ALA 72 13.519 10.502 14.929 524 HB1 ALA 72 HB1 ALA 72 15.502 9.134 15.357 525 HB2 ALA 72 HB2 ALA 72 15.743 10.794 15.900 526 HB3 ALA 72 HB3 ALA 72 16.479 10.243 14.395 527 H GLY 73 HN GLY 73 13.279 12.647 15.271 528 HA2 GLY 73 HA2 GLY 73 14.162 14.443 13.137 529 HA3 GLY 73 HA1 GLY 73 12.964 14.811 14.373 530 H ILE 74 HN ILE 74 15.110 16.532 13.658 531 HA ILE 74 HA ILE 74 17.326 16.294 15.372 532 HB ILE 74 HB ILE 74 17.276 17.828 13.432 533 HG12 ILE 74 HG12 ILE 74 17.830 19.231 16.057 534 HG13 ILE 74 HG11 ILE 74 18.930 18.118 15.250 535 HG21 ILE 74 HG21 ILE 74 15.480 19.529 15.159 536 HG22 ILE 74 HG22 ILE 74 15.015 18.697 13.676 537 HG23 ILE 74 HG23 ILE 74 16.186 20.014 13.617 538 HD11 ILE 74 HD11 ILE 74 19.092 19.645 13.358 539 HD12 ILE 74 HD12 ILE 74 19.562 20.431 14.866 540 HD13 ILE 74 HD13 ILE 74 17.979 20.756 14.158 541 H ASP 75 HN ASP 75 14.118 17.594 15.867 542 HA ASP 75 HA ASP 75 14.550 18.953 18.286 543 HB2 ASP 75 HB2 ASP 75 12.058 17.526 17.330 544 HB3 ASP 75 HB1 ASP 75 12.122 18.706 18.636 545 H ASP 76 HN ASP 76 14.066 15.584 17.546 546 HA ASP 76 HA ASP 76 13.581 14.776 20.258 547 HB2 ASP 76 HB2 ASP 76 12.642 13.462 18.457 548 HB3 ASP 76 HB1 ASP 76 14.237 13.204 17.758 549 H LEU 77 HN LEU 77 16.320 14.734 18.035 550 HA LEU 77 HA LEU 77 18.051 13.336 19.842 551 HB2 LEU 77 HB2 LEU 77 18.723 14.902 17.350 552 HB3 LEU 77 HB1 LEU 77 19.785 13.778 18.176 553 HG LEU 77 HG LEU 77 17.189 13.031 16.822 554 HD11 LEU 77 HD11 LEU 77 18.881 13.718 15.214 555 HD12 LEU 77 HD12 LEU 77 18.615 11.976 15.142 556 HD13 LEU 77 HD13 LEU 77 20.045 12.617 15.951 557 HD21 LEU 77 HD21 LEU 77 19.355 11.319 18.037 558 HD22 LEU 77 HD22 LEU 77 17.940 10.732 17.163 559 HD23 LEU 77 HD23 LEU 77 17.740 11.572 18.700 560 H LYS 78 HN LYS 78 17.242 16.637 19.260 561 HA LYS 78 HA LYS 78 19.559 17.563 20.823 562 HB2 LYS 78 HB2 LYS 78 19.174 18.436 18.479 563 HB3 LYS 78 HB1 LYS 78 17.712 19.201 19.076 564 HG2 LYS 78 HG2 LYS 78 18.988 20.616 20.541 565 HG3 LYS 78 HG1 LYS 78 20.479 19.769 20.115 566 HD2 LYS 78 HD2 LYS 78 20.287 20.526 17.818 567 HD3 LYS 78 HD1 LYS 78 18.743 21.301 18.178 568 HE2 LYS 78 HE2 LYS 78 21.344 22.021 19.514 569 HE3 LYS 78 HE1 LYS 78 20.704 22.851 18.096 570 HZ1 LYS 78 HZ1 LYS 78 18.819 23.566 19.326 571 HZ2 LYS 78 HZ2 LYS 78 20.190 23.938 20.252 572 HZ3 LYS 78 HZ3 LYS 78 19.228 22.604 20.662 573 H GLY 79 HN GLY 79 16.859 16.424 21.674 574 HA2 GLY 79 HA2 GLY 79 15.570 18.629 23.030 575 HA3 GLY 79 HA1 GLY 79 15.127 16.931 23.143 576 H SER 80 HN SER 80 15.105 18.437 25.411 577 HA SER 80 HA SER 80 17.653 18.195 26.769 578 HB2 SER 80 HB2 SER 80 14.967 19.048 27.876 579 HB3 SER 80 HB1 SER 80 16.545 19.302 28.622 580 HG SER 80 HG SER 80 16.569 20.272 26.125 581 H1 VAL 1 HT1 VAL 1 17.718 -4.308 -16.893 582 H2 VAL 1 HT2 VAL 1 17.802 -5.877 -16.252 583 H3 VAL 1 HT3 VAL 1 18.351 -4.560 -15.341 584 HA VAL 1 HA VAL 1 15.558 -5.006 -16.192 585 HB VAL 1 HB VAL 1 16.259 -6.626 -14.478 586 HG11 VAL 1 HG11 VAL 1 16.944 -4.212 -12.805 587 HG12 VAL 1 HG12 VAL 1 18.085 -5.382 -13.466 588 HG13 VAL 1 HG13 VAL 1 16.920 -5.883 -12.241 589 HG21 VAL 1 HG21 VAL 1 14.543 -6.117 -12.796 590 HG22 VAL 1 HG22 VAL 1 13.967 -5.824 -14.436 591 HG23 VAL 1 HG23 VAL 1 14.440 -4.467 -13.412 592 H ALA 2 HN ALA 2 14.184 -3.342 -15.820 593 HA ALA 2 HA ALA 2 15.276 -0.971 -14.446 594 HB1 ALA 2 HB1 ALA 2 13.771 0.399 -15.804 595 HB2 ALA 2 HB2 ALA 2 13.194 -1.047 -16.633 596 HB3 ALA 2 HB3 ALA 2 14.871 -0.534 -16.820 597 H SER 3 HN SER 3 14.581 -1.512 -12.427 598 HA SER 3 HA SER 3 12.095 -2.680 -11.836 599 HB2 SER 3 HB2 SER 3 13.862 -1.062 -9.990 600 HB3 SER 3 HB1 SER 3 12.648 -2.251 -9.515 601 HG SER 3 HG SER 3 14.382 -3.486 -9.521 602 H LYS 4 HN LYS 4 10.285 -1.830 -10.820 603 HA LYS 4 HA LYS 4 9.250 0.536 -11.893 604 HB2 LYS 4 HB2 LYS 4 7.963 -1.440 -11.046 605 HB3 LYS 4 HB1 LYS 4 8.330 -0.923 -9.410 606 HG2 LYS 4 HG2 LYS 4 6.252 -0.041 -9.652 607 HG3 LYS 4 HG1 LYS 4 7.222 1.318 -10.221 608 HD2 LYS 4 HD2 LYS 4 6.003 -0.773 -12.022 609 HD3 LYS 4 HD1 LYS 4 5.259 0.784 -11.668 610 HE2 LYS 4 HE2 LYS 4 7.117 1.948 -12.680 611 HE3 LYS 4 HE1 LYS 4 7.977 0.427 -12.923 612 HZ1 LYS 4 HZ1 LYS 4 6.875 1.225 -14.944 613 HZ2 LYS 4 HZ2 LYS 4 5.373 1.121 -14.171 614 HZ3 LYS 4 HZ3 LYS 4 6.282 -0.285 -14.451 615 H ALA 5 HN ALA 5 9.153 2.616 -11.166 616 HA ALA 5 HA ALA 5 9.749 3.150 -8.353 617 HB1 ALA 5 HB1 ALA 5 11.027 4.667 -10.630 618 HB2 ALA 5 HB2 ALA 5 11.850 3.537 -9.554 619 HB3 ALA 5 HB3 ALA 5 11.186 5.040 -8.914 620 H ILE 6 HN ILE 6 7.710 3.752 -7.835 621 HA ILE 6 HA ILE 6 6.331 5.646 -9.617 622 HB ILE 6 HB ILE 6 5.177 3.889 -7.444 623 HG12 ILE 6 HG12 ILE 6 5.926 2.608 -9.403 624 HG13 ILE 6 HG11 ILE 6 4.170 2.620 -9.288 625 HG21 ILE 6 HG21 ILE 6 3.921 5.958 -7.708 626 HG22 ILE 6 HG22 ILE 6 2.998 4.581 -8.311 627 HG23 ILE 6 HG23 ILE 6 3.795 5.672 -9.444 628 HD11 ILE 6 HD11 ILE 6 5.830 4.328 -11.128 629 HD12 ILE 6 HD12 ILE 6 4.070 4.342 -11.014 630 HD13 ILE 6 HD13 ILE 6 4.906 2.897 -11.582 631 H PHE 7 HN PHE 7 6.360 7.698 -9.016 632 HA PHE 7 HA PHE 7 6.794 8.332 -6.183 633 HB2 PHE 7 HB2 PHE 7 8.378 9.313 -7.800 634 HB3 PHE 7 HB1 PHE 7 7.040 10.103 -8.628 635 HD1 PHE 7 HD1 PHE 7 8.592 9.862 -5.250 636 HD2 PHE 7 HD2 PHE 7 6.525 12.277 -8.078 637 HE1 PHE 7 HE1 PHE 7 8.828 11.803 -3.758 638 HE2 PHE 7 HE2 PHE 7 6.760 14.222 -6.591 639 HZ PHE 7 HZ PHE 7 7.910 13.987 -4.429 640 H TYR 8 HN TYR 8 5.137 8.966 -4.990 641 HA TYR 8 HA TYR 8 2.686 9.905 -6.322 642 HB2 TYR 8 HB2 TYR 8 3.177 8.758 -3.569 643 HB3 TYR 8 HB1 TYR 8 1.657 9.504 -4.031 644 HD1 TYR 8 HD1 TYR 8 3.852 6.594 -4.521 645 HD2 TYR 8 HD2 TYR 8 0.100 8.366 -5.467 646 HE1 TYR 8 HE1 TYR 8 3.040 4.424 -5.347 647 HE2 TYR 8 HE2 TYR 8 -0.719 6.204 -6.303 648 HH TYR 8 HH TYR 8 -0.028 4.105 -7.008 649 H HIS 9 HN HIS 9 2.128 12.015 -6.169 650 HA HIS 9 HA HIS 9 2.716 13.419 -3.706 651 HB2 HIS 9 HB2 HIS 9 3.808 15.315 -4.671 652 HB3 HIS 9 HB1 HIS 9 4.693 13.877 -5.151 653 HD2 HIS 9 HD2 HIS 9 4.898 13.450 -7.837 654 HE1 HIS 9 HE1 HIS 9 2.737 16.901 -8.970 655 HE2 HIS 9 HE2 HIS 9 4.499 15.223 -9.687 656 H ALA 10 HN ALA 10 1.768 15.787 -3.920 657 HA ALA 10 HA ALA 10 -0.931 15.380 -5.026 658 HB1 ALA 10 HB1 ALA 10 -0.878 15.236 -2.588 659 HB2 ALA 10 HB2 ALA 10 -1.809 16.631 -3.132 660 HB3 ALA 10 HB3 ALA 10 -0.175 16.851 -2.507 661 H GLY 11 HN GLY 11 1.802 17.288 -5.318 662 HA2 GLY 11 HA2 GLY 11 1.909 18.994 -6.981 663 HA3 GLY 11 HA1 GLY 11 0.220 19.360 -6.673 664 H CYS 12 HN CYS 12 1.463 19.035 -3.704 665 HA CYS 12 HA CYS 12 1.479 21.795 -3.098 666 HB2 CYS 12 HB2 CYS 12 2.624 19.497 -1.491 667 HB3 CYS 12 HB1 CYS 12 2.175 21.080 -0.868 668 HG CYS 12 HG CYS 12 -0.341 20.622 -0.508 669 HA PRO 13 HA PRO 13 5.591 23.346 -3.750 670 HB2 PRO 13 HB2 PRO 13 6.409 23.841 -1.098 671 HB3 PRO 13 HB1 PRO 13 5.624 24.983 -2.190 672 HG2 PRO 13 HG2 PRO 13 4.441 23.291 -0.043 673 HG3 PRO 13 HG1 PRO 13 3.989 24.924 -0.568 674 HD2 PRO 13 HD2 PRO 13 2.497 22.819 -1.232 675 HD3 PRO 13 HD1 PRO 13 2.780 24.130 -2.398 676 H VAL 14 HN VAL 14 5.414 21.180 -0.933 677 HA VAL 14 HA VAL 14 8.077 20.318 -0.927 678 HB VAL 14 HB VAL 14 5.646 18.723 -0.086 679 HG11 VAL 14 HG11 VAL 14 7.642 17.348 -0.257 680 HG12 VAL 14 HG12 VAL 14 7.197 17.579 1.433 681 HG13 VAL 14 HG13 VAL 14 8.537 18.492 0.741 682 HG21 VAL 14 HG21 VAL 14 7.339 20.648 1.503 683 HG22 VAL 14 HG22 VAL 14 6.060 19.626 2.158 684 HG23 VAL 14 HG23 VAL 14 5.667 20.896 1.000 685 H CYS 15 HN CYS 15 5.312 19.279 -2.802 686 HA CYS 15 HA CYS 15 6.373 16.831 -3.753 687 HB2 CYS 15 HB2 CYS 15 4.346 18.605 -5.124 688 HB3 CYS 15 HB1 CYS 15 4.559 16.871 -5.339 689 HG CYS 15 HG CYS 15 4.039 17.259 -2.186 690 H VAL 16 HN VAL 16 6.418 20.144 -4.947 691 HA VAL 16 HA VAL 16 7.487 19.674 -7.491 692 HB VAL 16 HB VAL 16 7.897 22.110 -5.748 693 HG11 VAL 16 HG11 VAL 16 8.192 23.306 -7.869 694 HG12 VAL 16 HG12 VAL 16 8.072 21.779 -8.742 695 HG13 VAL 16 HG13 VAL 16 9.422 22.063 -7.643 696 HG21 VAL 16 HG21 VAL 16 5.720 21.498 -7.744 697 HG22 VAL 16 HG22 VAL 16 5.945 23.034 -6.904 698 HG23 VAL 16 HG23 VAL 16 5.533 21.581 -5.991 699 H SER 17 HN SER 17 9.124 20.540 -4.451 700 HA SER 17 HA SER 17 11.735 20.564 -5.426 701 HB2 SER 17 HB2 SER 17 10.849 19.756 -2.646 702 HB3 SER 17 HB1 SER 17 12.420 20.414 -3.108 703 HG SER 17 HG SER 17 11.193 22.312 -3.847 704 H ALA 18 HN ALA 18 9.826 17.911 -4.061 705 HA ALA 18 HA ALA 18 11.927 16.011 -4.068 706 HB1 ALA 18 HB1 ALA 18 10.187 14.364 -3.644 707 HB2 ALA 18 HB2 ALA 18 8.949 15.545 -4.068 708 HB3 ALA 18 HB3 ALA 18 9.953 15.795 -2.640 709 H GLU 19 HN GLU 19 9.223 16.584 -6.326 710 HA GLU 19 HA GLU 19 9.858 14.460 -8.075 711 HB2 GLU 19 HB2 GLU 19 7.670 15.688 -8.006 712 HB3 GLU 19 HB1 GLU 19 8.463 17.044 -8.800 713 HG2 GLU 19 HG2 GLU 19 9.102 15.344 -10.612 714 HG3 GLU 19 HG1 GLU 19 7.871 14.318 -9.882 715 H GLN 20 HN GLN 20 10.978 17.761 -7.843 716 HA GLN 20 HA GLN 20 12.197 17.913 -10.395 717 HB2 GLN 20 HB2 GLN 20 11.632 19.900 -9.106 718 HB3 GLN 20 HB1 GLN 20 12.758 19.430 -7.842 719 HG2 GLN 20 HG2 GLN 20 14.606 19.653 -9.475 720 HG3 GLN 20 HG1 GLN 20 13.439 20.253 -10.654 721 HE21 GLN 20 HE21 GLN 20 12.512 22.278 -10.359 722 HE22 GLN 20 HE22 GLN 20 13.171 23.443 -9.256 723 H ALA 21 HN ALA 21 13.706 17.546 -7.175 724 HA ALA 21 HA ALA 21 16.259 17.090 -8.409 725 HB1 ALA 21 HB1 ALA 21 16.046 18.389 -6.348 726 HB2 ALA 21 HB2 ALA 21 17.135 17.015 -6.156 727 HB3 ALA 21 HB3 ALA 21 15.499 16.941 -5.501 728 H VAL 22 HN VAL 22 14.019 15.076 -6.492 729 HA VAL 22 HA VAL 22 15.862 12.926 -6.276 730 HB VAL 22 HB VAL 22 12.865 12.821 -5.919 731 HG11 VAL 22 HG11 VAL 22 13.337 10.884 -4.497 732 HG12 VAL 22 HG12 VAL 22 15.051 11.013 -4.894 733 HG13 VAL 22 HG13 VAL 22 13.881 10.619 -6.154 734 HG21 VAL 22 HG21 VAL 22 13.848 14.533 -4.496 735 HG22 VAL 22 HG22 VAL 22 15.045 13.380 -3.909 736 HG23 VAL 22 HG23 VAL 22 13.338 13.149 -3.529 737 H ALA 23 HN ALA 23 13.159 13.563 -8.482 738 HA ALA 23 HA ALA 23 13.202 10.994 -9.688 739 HB1 ALA 23 HB1 ALA 23 11.243 12.462 -9.779 740 HB2 ALA 23 HB2 ALA 23 11.754 11.943 -11.386 741 HB3 ALA 23 HB3 ALA 23 12.130 13.572 -10.823 742 H ASN 24 HN ASN 24 15.116 13.845 -10.153 743 HA ASN 24 HA ASN 24 16.243 12.745 -12.624 744 HB2 ASN 24 HB2 ASN 24 16.489 15.436 -11.296 745 HB3 ASN 24 HB1 ASN 24 17.600 14.935 -12.567 746 HD21 ASN 24 HD21 ASN 24 14.386 15.935 -11.799 747 HD22 ASN 24 HD22 ASN 24 13.814 16.086 -13.429 748 H ALA 25 HN ALA 25 16.718 12.504 -9.373 749 HA ALA 25 HA ALA 25 19.613 12.247 -9.483 750 HB1 ALA 25 HB1 ALA 25 17.697 11.682 -7.216 751 HB2 ALA 25 HB2 ALA 25 18.581 13.187 -7.467 752 HB3 ALA 25 HB3 ALA 25 19.457 11.699 -7.106 753 H ILE 26 HN ILE 26 16.749 10.214 -9.016 754 HA ILE 26 HA ILE 26 18.216 7.754 -9.212 755 HB ILE 26 HB ILE 26 15.250 8.267 -9.555 756 HG12 ILE 26 HG12 ILE 26 16.806 7.295 -7.146 757 HG13 ILE 26 HG11 ILE 26 16.110 8.901 -7.328 758 HG21 ILE 26 HG21 ILE 26 15.951 6.175 -10.598 759 HG22 ILE 26 HG22 ILE 26 14.986 5.866 -9.155 760 HG23 ILE 26 HG23 ILE 26 16.739 5.680 -9.100 761 HD11 ILE 26 HD11 ILE 26 14.568 6.319 -7.228 762 HD12 ILE 26 HD12 ILE 26 13.877 7.934 -7.381 763 HD13 ILE 26 HD13 ILE 26 14.739 7.479 -5.911 764 H ASP 27 HN ASP 27 18.843 6.750 -11.035 765 HA ASP 27 HA ASP 27 18.687 8.207 -13.472 766 HB2 ASP 27 HB2 ASP 27 20.627 6.767 -12.733 767 HB3 ASP 27 HB1 ASP 27 19.649 5.365 -13.162 768 HA PRO 28 HA PRO 28 14.816 6.564 -14.865 769 HB2 PRO 28 HB2 PRO 28 14.870 7.651 -17.352 770 HB3 PRO 28 HB1 PRO 28 14.511 8.588 -15.897 771 HG2 PRO 28 HG2 PRO 28 17.082 8.351 -17.411 772 HG3 PRO 28 HG1 PRO 28 16.316 9.797 -16.727 773 HD2 PRO 28 HD2 PRO 28 18.358 8.520 -15.500 774 HD3 PRO 28 HD1 PRO 28 17.070 9.342 -14.597 775 H SER 29 HN SER 29 17.889 5.796 -16.207 776 HA SER 29 HA SER 29 16.693 3.762 -17.955 777 HB2 SER 29 HB2 SER 29 19.597 4.578 -17.666 778 HB3 SER 29 HB1 SER 29 18.939 3.477 -18.877 779 HG SER 29 HG SER 29 17.885 6.071 -18.654 780 H LYS 30 HN LYS 30 17.829 4.201 -14.872 781 HA LYS 30 HA LYS 30 18.782 1.469 -14.490 782 HB2 LYS 30 HB2 LYS 30 19.829 3.572 -13.444 783 HB3 LYS 30 HB1 LYS 30 18.430 3.601 -12.385 784 HG2 LYS 30 HG2 LYS 30 19.042 1.300 -11.641 785 HG3 LYS 30 HG1 LYS 30 20.532 1.461 -12.575 786 HD2 LYS 30 HD2 LYS 30 20.980 3.574 -11.265 787 HD3 LYS 30 HD1 LYS 30 19.638 3.110 -10.219 788 HE2 LYS 30 HE2 LYS 30 21.610 2.352 -9.159 789 HE3 LYS 30 HE1 LYS 30 20.831 0.927 -9.845 790 HZ1 LYS 30 HZ1 LYS 30 22.358 1.002 -11.693 791 HZ2 LYS 30 HZ2 LYS 30 23.231 0.967 -10.241 792 HZ3 LYS 30 HZ3 LYS 30 23.072 2.422 -11.100 793 H TYR 31 HN TYR 31 16.248 3.674 -13.374 794 HA TYR 31 HA TYR 31 14.544 1.344 -12.793 795 HB2 TYR 31 HB2 TYR 31 14.755 3.902 -11.183 796 HB3 TYR 31 HB1 TYR 31 13.500 2.690 -10.957 797 HD1 TYR 31 HD1 TYR 31 17.084 3.413 -10.558 798 HD2 TYR 31 HD2 TYR 31 13.953 0.640 -9.792 799 HE1 TYR 31 HE1 TYR 31 18.531 2.225 -8.972 800 HE2 TYR 31 HE2 TYR 31 15.398 -0.558 -8.200 801 HH TYR 31 HH TYR 31 18.299 0.735 -7.019 802 H THR 32 HN THR 32 12.324 1.639 -13.261 803 HA THR 32 HA THR 32 11.824 3.698 -15.257 804 HB THR 32 HB THR 32 9.990 1.491 -14.292 805 HG1 THR 32 HG1 THR 32 12.173 1.240 -15.659 806 HG21 THR 32 HG21 THR 32 9.851 3.258 -16.742 807 HG22 THR 32 HG22 THR 32 8.797 3.365 -15.332 808 HG23 THR 32 HG23 THR 32 8.750 1.933 -16.360 809 H VAL 33 HN VAL 33 11.695 5.584 -14.128 810 HA VAL 33 HA VAL 33 10.042 5.802 -11.770 811 HB VAL 33 HB VAL 33 11.484 7.994 -13.268 812 HG11 VAL 33 HG11 VAL 33 11.322 9.222 -11.161 813 HG12 VAL 33 HG12 VAL 33 10.417 7.886 -10.448 814 HG13 VAL 33 HG13 VAL 33 9.727 8.804 -11.786 815 HG21 VAL 33 HG21 VAL 33 13.070 6.296 -12.562 816 HG22 VAL 33 HG22 VAL 33 12.413 6.334 -10.926 817 HG23 VAL 33 HG23 VAL 33 13.249 7.745 -11.572 818 H GLU 34 HN GLU 34 7.929 6.010 -11.945 819 HA GLU 34 HA GLU 34 6.876 7.809 -14.022 820 HB2 GLU 34 HB2 GLU 34 5.658 5.264 -12.945 821 HB3 GLU 34 HB1 GLU 34 4.736 6.456 -13.852 822 HG2 GLU 34 HG2 GLU 34 6.288 6.177 -15.742 823 HG3 GLU 34 HG1 GLU 34 7.135 4.928 -14.834 824 H ILE 35 HN ILE 35 5.522 9.374 -13.378 825 HA ILE 35 HA ILE 35 5.375 9.786 -10.482 826 HB ILE 35 HB ILE 35 4.848 11.778 -12.692 827 HG12 ILE 35 HG12 ILE 35 7.379 11.424 -11.072 828 HG13 ILE 35 HG11 ILE 35 7.174 10.819 -12.712 829 HG21 ILE 35 HG21 ILE 35 5.203 13.438 -10.920 830 HG22 ILE 35 HG22 ILE 35 5.407 12.134 -9.749 831 HG23 ILE 35 HG23 ILE 35 3.853 12.366 -10.549 832 HD11 ILE 35 HD11 ILE 35 7.029 13.706 -11.878 833 HD12 ILE 35 HD12 ILE 35 6.870 13.088 -13.522 834 HD13 ILE 35 HD13 ILE 35 8.400 12.922 -12.661 835 H VAL 36 HN VAL 36 3.515 9.623 -9.430 836 HA VAL 36 HA VAL 36 1.014 9.653 -10.989 837 HB VAL 36 HB VAL 36 1.691 7.888 -8.625 838 HG11 VAL 36 HG11 VAL 36 -0.523 6.895 -8.954 839 HG12 VAL 36 HG12 VAL 36 -0.871 8.090 -10.204 840 HG13 VAL 36 HG13 VAL 36 -0.635 8.605 -8.534 841 HG21 VAL 36 HG21 VAL 36 1.148 7.205 -11.515 842 HG22 VAL 36 HG22 VAL 36 1.418 6.041 -10.217 843 HG23 VAL 36 HG23 VAL 36 2.714 7.134 -10.708 844 H HIS 37 HN HIS 37 -0.469 11.053 -10.324 845 HA HIS 37 HA HIS 37 0.098 12.708 -8.016 846 HB2 HIS 37 HB2 HIS 37 -0.633 13.703 -10.176 847 HB3 HIS 37 HB1 HIS 37 -2.176 12.875 -10.009 848 HD2 HIS 37 HD2 HIS 37 -0.176 15.756 -8.248 849 HE1 HIS 37 HE1 HIS 37 -4.297 16.131 -7.373 850 HE2 HIS 37 HE2 HIS 37 -1.991 17.095 -6.966 851 H LEU 38 HN LEU 38 -0.771 12.415 -6.079 852 HA LEU 38 HA LEU 38 -3.259 10.867 -5.878 853 HB2 LEU 38 HB2 LEU 38 -1.285 9.505 -5.205 854 HB3 LEU 38 HB1 LEU 38 -0.930 10.693 -3.965 855 HG LEU 38 HG LEU 38 -3.099 10.195 -2.887 856 HD11 LEU 38 HD11 LEU 38 -4.329 9.462 -4.856 857 HD12 LEU 38 HD12 LEU 38 -4.372 8.232 -3.592 858 HD13 LEU 38 HD13 LEU 38 -3.302 8.033 -4.979 859 HD21 LEU 38 HD21 LEU 38 -1.086 9.054 -2.136 860 HD22 LEU 38 HD22 LEU 38 -1.332 7.795 -3.348 861 HD23 LEU 38 HD23 LEU 38 -2.486 7.985 -2.027 862 H GLY 39 HN GLY 39 -4.721 12.249 -5.285 863 HA2 GLY 39 HA2 GLY 39 -4.871 13.496 -2.824 864 HA3 GLY 39 HA1 GLY 39 -4.206 14.694 -3.931 865 H THR 40 HN THR 40 -5.459 14.591 -6.161 866 HA THR 40 HA THR 40 -8.214 15.218 -5.585 867 HB THR 40 HB THR 40 -7.061 14.998 -8.357 868 HG1 THR 40 HG1 THR 40 -6.634 17.107 -6.463 869 HG21 THR 40 HG21 THR 40 -8.535 16.907 -8.777 870 HG22 THR 40 HG22 THR 40 -9.011 16.922 -7.080 871 HG23 THR 40 HG23 THR 40 -9.442 15.552 -8.104 872 H ASP 41 HN ASP 41 -6.489 12.460 -6.282 873 HA ASP 41 HA ASP 41 -8.752 11.056 -7.512 874 HB2 ASP 41 HB2 ASP 41 -6.425 10.938 -8.543 875 HB3 ASP 41 HB1 ASP 41 -5.937 10.022 -7.121 876 H LYS 42 HN LYS 42 -10.086 10.306 -5.975 877 HA LYS 42 HA LYS 42 -9.014 9.409 -3.418 878 HB2 LYS 42 HB2 LYS 42 -11.835 9.740 -4.437 879 HB3 LYS 42 HB1 LYS 42 -11.459 9.061 -2.861 880 HG2 LYS 42 HG2 LYS 42 -10.302 11.173 -2.278 881 HG3 LYS 42 HG1 LYS 42 -10.835 11.845 -3.822 882 HD2 LYS 42 HD2 LYS 42 -13.147 11.585 -3.191 883 HD3 LYS 42 HD1 LYS 42 -12.688 10.752 -1.705 884 HE2 LYS 42 HE2 LYS 42 -13.270 13.016 -1.171 885 HE3 LYS 42 HE1 LYS 42 -11.531 12.821 -0.966 886 HZ1 LYS 42 HZ1 LYS 42 -11.160 13.911 -3.059 887 HZ2 LYS 42 HZ2 LYS 42 -12.153 14.894 -2.102 888 HZ3 LYS 42 HZ3 LYS 42 -12.826 13.995 -3.368 889 H ALA 43 HN ALA 43 -9.576 8.051 -6.391 890 HA ALA 43 HA ALA 43 -10.701 5.547 -5.530 891 HB1 ALA 43 HB1 ALA 43 -9.492 6.326 -8.180 892 HB2 ALA 43 HB2 ALA 43 -11.199 6.437 -7.747 893 HB3 ALA 43 HB3 ALA 43 -10.417 4.860 -7.855 894 H ARG 44 HN ARG 44 -7.536 6.639 -6.729 895 HA ARG 44 HA ARG 44 -6.391 4.018 -6.306 896 HB2 ARG 44 HB2 ARG 44 -5.302 6.623 -7.328 897 HB3 ARG 44 HB1 ARG 44 -4.256 5.244 -7.017 898 HG2 ARG 44 HG2 ARG 44 -5.446 3.909 -8.618 899 HG3 ARG 44 HG1 ARG 44 -6.647 5.181 -8.844 900 HD2 ARG 44 HD2 ARG 44 -3.714 5.501 -9.444 901 HD3 ARG 44 HD1 ARG 44 -4.920 5.037 -10.644 902 HE ARG 44 HE ARG 44 -5.941 7.318 -9.609 903 HH11 ARG 44 HH11 ARG 44 -2.795 6.490 -10.911 904 HH12 ARG 44 HH12 ARG 44 -2.502 8.082 -11.557 905 HH21 ARG 44 HH21 ARG 44 -5.570 9.396 -10.434 906 HH22 ARG 44 HH22 ARG 44 -4.069 9.760 -11.243 907 H ILE 45 HN ILE 45 -7.232 6.194 -4.124 908 HA ILE 45 HA ILE 45 -5.003 6.413 -2.425 909 HB ILE 45 HB ILE 45 -7.950 6.227 -1.770 910 HG12 ILE 45 HG12 ILE 45 -6.017 8.553 -1.895 911 HG13 ILE 45 HG11 ILE 45 -7.305 8.208 -3.044 912 HG21 ILE 45 HG21 ILE 45 -5.675 6.944 0.076 913 HG22 ILE 45 HG22 ILE 45 -6.654 5.479 0.158 914 HG23 ILE 45 HG23 ILE 45 -7.392 7.052 0.464 915 HD11 ILE 45 HD11 ILE 45 -7.924 10.003 -1.532 916 HD12 ILE 45 HD12 ILE 45 -7.673 8.939 -0.147 917 HD13 ILE 45 HD13 ILE 45 -8.965 8.599 -1.299 918 H ALA 46 HN ALA 46 -7.348 3.845 -2.957 919 HA ALA 46 HA ALA 46 -6.497 2.121 -0.887 920 HB1 ALA 46 HB1 ALA 46 -7.693 0.372 -2.089 921 HB2 ALA 46 HB2 ALA 46 -7.799 1.408 -3.513 922 HB3 ALA 46 HB3 ALA 46 -8.644 1.856 -2.031 923 H GLU 47 HN GLU 47 -5.313 2.735 -4.115 924 HA GLU 47 HA GLU 47 -3.626 0.465 -4.342 925 HB2 GLU 47 HB2 GLU 47 -4.272 1.786 -6.300 926 HB3 GLU 47 HB1 GLU 47 -3.428 3.186 -5.656 927 HG2 GLU 47 HG2 GLU 47 -1.306 2.045 -5.867 928 HG3 GLU 47 HG1 GLU 47 -2.123 0.584 -6.420 929 H ALA 48 HN ALA 48 -3.159 3.756 -3.149 930 HA ALA 48 HA ALA 48 -0.432 3.596 -2.541 931 HB1 ALA 48 HB1 ALA 48 -2.584 5.144 -1.097 932 HB2 ALA 48 HB2 ALA 48 -1.690 5.695 -2.514 933 HB3 ALA 48 HB3 ALA 48 -0.850 5.436 -0.986 934 H GLU 49 HN GLU 49 -3.297 2.671 -0.710 935 HA GLU 49 HA GLU 49 -1.994 1.930 1.675 936 HB2 GLU 49 HB2 GLU 49 -4.593 0.902 0.517 937 HB3 GLU 49 HB1 GLU 49 -4.069 0.697 2.183 938 HG2 GLU 49 HG2 GLU 49 -4.076 3.141 2.464 939 HG3 GLU 49 HG1 GLU 49 -4.665 3.310 0.812 940 H LYS 50 HN LYS 50 -2.481 0.268 -1.354 941 HA LYS 50 HA LYS 50 -1.779 -2.341 -0.433 942 HB2 LYS 50 HB2 LYS 50 -1.657 -1.152 -3.213 943 HB3 LYS 50 HB1 LYS 50 -1.460 -2.858 -2.840 944 HG2 LYS 50 HG2 LYS 50 -3.729 -2.992 -2.045 945 HG3 LYS 50 HG1 LYS 50 -3.940 -1.253 -2.265 946 HD2 LYS 50 HD2 LYS 50 -3.576 -1.526 -4.680 947 HD3 LYS 50 HD1 LYS 50 -3.396 -3.268 -4.447 948 HE2 LYS 50 HE2 LYS 50 -5.673 -3.398 -3.592 949 HE3 LYS 50 HE1 LYS 50 -5.853 -1.655 -3.778 950 HZ1 LYS 50 HZ1 LYS 50 -6.866 -2.920 -5.595 951 HZ2 LYS 50 HZ2 LYS 50 -5.347 -3.554 -6.008 952 HZ3 LYS 50 HZ3 LYS 50 -5.640 -1.887 -6.148 953 H ALA 51 HN ALA 51 0.004 0.330 -1.895 954 HA ALA 51 HA ALA 51 2.475 -1.108 -2.050 955 HB1 ALA 51 HB1 ALA 51 3.443 1.019 -2.718 956 HB2 ALA 51 HB2 ALA 51 1.972 1.860 -2.231 957 HB3 ALA 51 HB3 ALA 51 1.934 0.728 -3.583 958 H GLY 52 HN GLY 52 0.903 0.874 0.328 959 HA2 GLY 52 HA2 GLY 52 1.525 0.734 2.638 960 HA3 GLY 52 HA1 GLY 52 3.184 0.434 2.136 961 H VAL 53 HN VAL 53 1.364 2.890 0.547 962 HA VAL 53 HA VAL 53 3.235 4.905 1.440 963 HB VAL 53 HB VAL 53 0.825 5.215 -0.362 964 HG11 VAL 53 HG11 VAL 53 1.595 7.328 0.556 965 HG12 VAL 53 HG12 VAL 53 1.972 7.228 -1.165 966 HG13 VAL 53 HG13 VAL 53 3.241 6.972 0.032 967 HG21 VAL 53 HG21 VAL 53 2.351 3.576 -1.291 968 HG22 VAL 53 HG22 VAL 53 3.703 4.689 -1.081 969 HG23 VAL 53 HG23 VAL 53 2.418 5.072 -2.225 970 H LYS 54 HN LYS 54 2.896 5.577 3.481 971 HA LYS 54 HA LYS 54 0.191 5.911 4.483 972 HB2 LYS 54 HB2 LYS 54 1.917 4.853 5.901 973 HB3 LYS 54 HB1 LYS 54 2.843 6.347 5.871 974 HG2 LYS 54 HG2 LYS 54 1.099 7.507 7.062 975 HG3 LYS 54 HG1 LYS 54 0.063 6.081 6.996 976 HD2 LYS 54 HD2 LYS 54 1.674 4.846 8.356 977 HD3 LYS 54 HD1 LYS 54 2.724 6.263 8.407 978 HE2 LYS 54 HE2 LYS 54 1.393 6.029 10.457 979 HE3 LYS 54 HE1 LYS 54 1.017 7.518 9.592 980 HZ1 LYS 54 HZ1 LYS 54 -0.936 6.229 10.462 981 HZ2 LYS 54 HZ2 LYS 54 -0.594 5.044 9.296 982 HZ3 LYS 54 HZ3 LYS 54 -1.005 6.622 8.814 983 H SER 55 HN SER 55 2.640 7.811 3.056 984 HA SER 55 HA SER 55 0.938 10.150 3.385 985 HB2 SER 55 HB2 SER 55 3.889 10.198 4.076 986 HB3 SER 55 HB1 SER 55 2.809 11.593 4.055 987 HG SER 55 HG SER 55 1.770 9.629 5.577 988 H VAL 56 HN VAL 56 0.984 11.521 1.631 989 HA VAL 56 HA VAL 56 2.401 10.695 -0.707 990 HB VAL 56 HB VAL 56 1.590 12.887 -1.685 991 HG11 VAL 56 HG11 VAL 56 0.410 10.794 -2.022 992 HG12 VAL 56 HG12 VAL 56 -0.733 12.124 -1.840 993 HG13 VAL 56 HG13 VAL 56 -0.451 11.013 -0.499 994 HG21 VAL 56 HG21 VAL 56 -0.178 14.061 -0.465 995 HG22 VAL 56 HG22 VAL 56 1.372 14.158 0.373 996 HG23 VAL 56 HG23 VAL 56 0.128 13.046 0.944 997 HA PRO 57 HA PRO 57 5.480 13.002 -2.426 998 HB2 PRO 57 HB2 PRO 57 6.002 14.415 0.177 999 HB3 PRO 57 HB1 PRO 57 6.681 14.758 -1.426 1000 HG2 PRO 57 HG2 PRO 57 4.307 15.870 -0.407 1001 HG3 PRO 57 HG1 PRO 57 4.785 15.847 -2.114 1002 HD2 PRO 57 HD2 PRO 57 2.537 14.531 -1.054 1003 HD3 PRO 57 HD1 PRO 57 3.313 14.125 -2.608 1004 H ALA 58 HN ALA 58 5.593 10.801 -2.351 1005 HA ALA 58 HA ALA 58 7.846 9.817 -0.832 1006 HB1 ALA 58 HB1 ALA 58 6.682 7.797 -0.064 1007 HB2 ALA 58 HB2 ALA 58 5.160 8.439 -0.682 1008 HB3 ALA 58 HB3 ALA 58 5.983 9.250 0.650 1009 H LEU 59 HN LEU 59 8.739 7.886 -1.832 1010 HA LEU 59 HA LEU 59 7.688 7.431 -4.552 1011 HB2 LEU 59 HB2 LEU 59 9.837 8.846 -4.306 1012 HB3 LEU 59 HB1 LEU 59 10.618 7.339 -3.872 1013 HG LEU 59 HG LEU 59 9.127 7.625 -6.473 1014 HD11 LEU 59 HD11 LEU 59 12.028 8.269 -5.953 1015 HD12 LEU 59 HD12 LEU 59 10.769 9.430 -6.375 1016 HD13 LEU 59 HD13 LEU 59 11.252 8.191 -7.535 1017 HD21 LEU 59 HD21 LEU 59 9.715 5.361 -5.759 1018 HD22 LEU 59 HD22 LEU 59 11.400 5.849 -5.587 1019 HD23 LEU 59 HD23 LEU 59 10.643 5.843 -7.180 1020 H VAL 60 HN VAL 60 7.306 5.384 -5.057 1021 HA VAL 60 HA VAL 60 8.126 3.303 -3.159 1022 HB VAL 60 HB VAL 60 6.128 3.092 -5.418 1023 HG11 VAL 60 HG11 VAL 60 6.644 1.318 -3.033 1024 HG12 VAL 60 HG12 VAL 60 7.043 0.953 -4.713 1025 HG13 VAL 60 HG13 VAL 60 5.356 1.097 -4.218 1026 HG21 VAL 60 HG21 VAL 60 4.392 3.306 -3.702 1027 HG22 VAL 60 HG22 VAL 60 5.381 4.762 -3.813 1028 HG23 VAL 60 HG23 VAL 60 5.633 3.624 -2.490 1029 H ILE 61 HN ILE 61 9.996 2.367 -3.661 1030 HA ILE 61 HA ILE 61 10.767 2.031 -6.456 1031 HB ILE 61 HB ILE 61 12.308 1.340 -3.943 1032 HG12 ILE 61 HG12 ILE 61 12.563 3.711 -5.811 1033 HG13 ILE 61 HG11 ILE 61 11.895 3.759 -4.184 1034 HG21 ILE 61 HG21 ILE 61 13.001 0.004 -5.858 1035 HG22 ILE 61 HG22 ILE 61 14.246 1.182 -5.443 1036 HG23 ILE 61 HG23 ILE 61 13.192 1.466 -6.826 1037 HD11 ILE 61 HD11 ILE 61 14.732 3.070 -4.909 1038 HD12 ILE 61 HD12 ILE 61 14.067 3.118 -3.276 1039 HD13 ILE 61 HD13 ILE 61 14.170 4.597 -4.231 1040 H ASP 62 HN ASP 62 9.705 0.421 -7.350 1041 HA ASP 62 HA ASP 62 9.043 -1.651 -7.927 1042 HB2 ASP 62 HB2 ASP 62 11.415 -2.235 -7.485 1043 HB3 ASP 62 HB1 ASP 62 10.974 -2.650 -5.832 1044 H GLY 63 HN GLY 63 9.603 -2.128 -4.468 1045 HA2 GLY 63 HA2 GLY 63 6.712 -2.325 -4.042 1046 HA3 GLY 63 HA1 GLY 63 7.704 -3.709 -3.602 1047 H ALA 64 HN ALA 64 9.414 -0.860 -3.192 1048 HA ALA 64 HA ALA 64 8.781 -0.838 -0.312 1049 HB1 ALA 64 HB1 ALA 64 11.423 -0.227 -1.634 1050 HB2 ALA 64 HB2 ALA 64 11.014 -1.724 -0.795 1051 HB3 ALA 64 HB3 ALA 64 11.096 -0.205 0.098 1052 H ALA 65 HN ALA 65 7.651 0.900 0.192 1053 HA ALA 65 HA ALA 65 7.856 3.332 -1.385 1054 HB1 ALA 65 HB1 ALA 65 6.096 2.704 0.983 1055 HB2 ALA 65 HB2 ALA 65 5.655 2.478 -0.709 1056 HB3 ALA 65 HB3 ALA 65 5.952 4.100 -0.086 1057 H PHE 66 HN PHE 66 9.226 4.897 -0.908 1058 HA PHE 66 HA PHE 66 10.063 5.241 1.897 1059 HB2 PHE 66 HB2 PHE 66 11.550 5.936 -0.646 1060 HB3 PHE 66 HB1 PHE 66 12.100 6.339 0.976 1061 HD1 PHE 66 HD2 PHE 66 12.729 4.523 2.544 1062 HD2 PHE 66 HD1 PHE 66 11.860 3.776 -1.552 1063 HE1 PHE 66 HE2 PHE 66 13.846 2.338 2.711 1064 HE2 PHE 66 HE1 PHE 66 12.975 1.591 -1.394 1065 HZ PHE 66 HZ PHE 66 13.970 0.869 0.739 1066 H HIS 67 HN HIS 67 9.283 6.984 2.848 1067 HA HIS 67 HA HIS 67 7.930 9.028 1.342 1068 HB2 HIS 67 HB2 HIS 67 8.553 8.860 4.303 1069 HB3 HIS 67 HB1 HIS 67 7.465 10.024 3.554 1070 HD1 HIS 67 HD1 HIS 67 7.659 6.459 4.669 1071 HD2 HIS 67 HD2 HIS 67 4.987 8.993 2.739 1072 HE1 HIS 67 HE1 HIS 67 5.423 5.274 4.675 1073 H ILE 68 HN ILE 68 8.864 10.786 0.504 1074 HA ILE 68 HA ILE 68 11.579 11.454 1.434 1075 HB ILE 68 HB ILE 68 10.353 12.044 -1.268 1076 HG12 ILE 68 HG12 ILE 68 12.415 9.962 -0.502 1077 HG13 ILE 68 HG11 ILE 68 10.727 9.619 -0.864 1078 HG21 ILE 68 HG21 ILE 68 12.053 13.656 -0.620 1079 HG22 ILE 68 HG22 ILE 68 12.654 12.617 -1.913 1080 HG23 ILE 68 HG23 ILE 68 13.177 12.348 -0.250 1081 HD11 ILE 68 HD11 ILE 68 12.163 9.114 -2.753 1082 HD12 ILE 68 HD12 ILE 68 12.737 10.783 -2.775 1083 HD13 ILE 68 HD13 ILE 68 11.048 10.426 -3.138 1084 H ASN 69 HN ASN 69 11.233 12.956 2.950 1085 HA ASN 69 HA ASN 69 10.572 14.838 4.012 1086 HB2 ASN 69 HB2 ASN 69 10.202 15.781 1.174 1087 HB3 ASN 69 HB1 ASN 69 9.757 16.798 2.542 1088 HD21 ASN 69 HD21 ASN 69 11.794 17.251 0.540 1089 HD22 ASN 69 HD22 ASN 69 13.291 17.400 1.392 1090 H PHE 70 HN PHE 70 8.841 14.888 5.239 1091 HA PHE 70 HA PHE 70 6.579 13.384 4.675 1092 HB2 PHE 70 HB2 PHE 70 7.348 13.994 6.956 1093 HB3 PHE 70 HB1 PHE 70 6.793 15.640 6.678 1094 HD1 PHE 70 HD2 PHE 70 5.705 12.141 7.067 1095 HD2 PHE 70 HD1 PHE 70 4.506 16.221 6.913 1096 HE1 PHE 70 HE2 PHE 70 3.472 11.512 7.889 1097 HE2 PHE 70 HE1 PHE 70 2.271 15.600 7.733 1098 HZ PHE 70 HZ PHE 70 1.751 13.242 8.222 1099 H GLY 71 HN GLY 71 5.435 13.832 2.890 1100 HA2 GLY 71 HA2 GLY 71 4.669 16.497 2.167 1101 HA3 GLY 71 HA1 GLY 71 4.117 15.006 1.413 1102 H ALA 72 HN ALA 72 2.302 13.934 2.226 1103 HA ALA 72 HA ALA 72 0.865 15.324 4.383 1104 HB1 ALA 72 HB1 ALA 72 -1.217 15.479 3.170 1105 HB2 ALA 72 HB2 ALA 72 -0.473 14.762 1.742 1106 HB3 ALA 72 HB3 ALA 72 0.048 16.350 2.303 1107 H GLY 73 HN GLY 73 -0.353 14.014 5.669 1108 HA2 GLY 73 HA2 GLY 73 0.213 11.203 5.436 1109 HA3 GLY 73 HA1 GLY 73 -0.722 11.978 6.707 1110 H ILE 74 HN ILE 74 -1.050 9.583 4.723 1111 HA ILE 74 HA ILE 74 -3.399 10.168 3.231 1112 HB ILE 74 HB ILE 74 -1.843 8.232 2.784 1113 HG12 ILE 74 HG12 ILE 74 -4.760 7.507 3.130 1114 HG13 ILE 74 HG11 ILE 74 -4.093 8.401 1.768 1115 HG21 ILE 74 HG21 ILE 74 -3.293 6.987 5.118 1116 HG22 ILE 74 HG22 ILE 74 -1.587 7.431 5.071 1117 HG23 ILE 74 HG23 ILE 74 -2.195 6.149 4.022 1118 HD11 ILE 74 HD11 ILE 74 -2.741 6.469 1.157 1119 HD12 ILE 74 HD12 ILE 74 -4.458 6.066 1.206 1120 HD13 ILE 74 HD13 ILE 74 -3.398 5.573 2.528 1121 H ASP 75 HN ASP 75 -2.744 9.332 6.494 1122 HA ASP 75 HA ASP 75 -5.242 8.374 7.337 1123 HB2 ASP 75 HB2 ASP 75 -3.145 9.931 8.865 1124 HB3 ASP 75 HB1 ASP 75 -4.493 9.070 9.599 1125 H ASP 76 HN ASP 76 -4.107 11.540 6.585 1126 HA ASP 76 HA ASP 76 -6.098 13.002 8.028 1127 HB2 ASP 76 HB2 ASP 76 -3.967 14.038 7.458 1128 HB3 ASP 76 HB1 ASP 76 -4.289 13.815 5.742 1129 H LEU 77 HN LEU 77 -5.750 11.765 4.763 1130 HA LEU 77 HA LEU 77 -8.135 13.000 3.760 1131 HB2 LEU 77 HB2 LEU 77 -6.589 10.643 2.669 1132 HB3 LEU 77 HB1 LEU 77 -7.802 11.565 1.804 1133 HG LEU 77 HG LEU 77 -5.138 12.636 2.743 1134 HD11 LEU 77 HD11 LEU 77 -4.572 12.675 0.366 1135 HD12 LEU 77 HD12 LEU 77 -6.112 11.905 -0.014 1136 HD13 LEU 77 HD13 LEU 77 -4.901 11.035 0.927 1137 HD21 LEU 77 HD21 LEU 77 -5.705 14.600 1.403 1138 HD22 LEU 77 HD22 LEU 77 -6.870 14.355 2.704 1139 HD23 LEU 77 HD23 LEU 77 -7.288 13.907 1.051 1140 H LYS 78 HN LYS 78 -7.322 10.113 5.446 1141 HA LYS 78 HA LYS 78 -9.664 8.614 4.867 1142 HB2 LYS 78 HB2 LYS 78 -7.609 8.464 7.064 1143 HB3 LYS 78 HB1 LYS 78 -8.976 7.363 6.983 1144 HG2 LYS 78 HG2 LYS 78 -8.223 6.448 4.922 1145 HG3 LYS 78 HG1 LYS 78 -6.992 7.703 4.748 1146 HD2 LYS 78 HD2 LYS 78 -5.718 6.832 6.547 1147 HD3 LYS 78 HD1 LYS 78 -7.037 5.780 7.064 1148 HE2 LYS 78 HE2 LYS 78 -5.619 5.523 4.416 1149 HE3 LYS 78 HE1 LYS 78 -5.172 4.618 5.862 1150 HZ1 LYS 78 HZ1 LYS 78 -7.428 3.695 5.904 1151 HZ2 LYS 78 HZ2 LYS 78 -6.608 3.291 4.475 1152 HZ3 LYS 78 HZ3 LYS 78 -7.789 4.507 4.458 1153 H GLY 79 HN GLY 79 -11.577 9.553 5.264 1154 HA2 GLY 79 HA2 GLY 79 -12.032 11.236 7.556 1155 HA3 GLY 79 HA1 GLY 79 -13.218 10.777 6.343 1156 H SER 80 HN SER 80 -11.231 8.994 8.679 1157 HA SER 80 HA SER 80 -13.545 8.186 10.189 1158 HB2 SER 80 HB2 SER 80 -13.485 6.567 8.260 1159 HB3 SER 80 HB1 SER 80 -11.887 6.058 8.798 1160 HG SER 80 HG SER 80 -12.767 4.920 10.333 Start of MODEL 7 1 H1 VAL 1 HT1 VAL 1 29.200 16.496 -14.216 2 H2 VAL 1 HT2 VAL 1 30.270 15.272 -13.751 3 H3 VAL 1 HT3 VAL 1 30.839 16.593 -14.648 4 HA VAL 1 HA VAL 1 31.477 16.812 -12.348 5 HB VAL 1 HB VAL 1 29.251 18.758 -13.000 6 HG11 VAL 1 HG11 VAL 1 30.074 18.953 -10.720 7 HG12 VAL 1 HG12 VAL 1 30.578 20.344 -11.681 8 HG13 VAL 1 HG13 VAL 1 31.733 19.063 -11.311 9 HG21 VAL 1 HG21 VAL 1 30.974 20.117 -14.095 10 HG22 VAL 1 HG22 VAL 1 30.760 18.562 -14.898 11 HG23 VAL 1 HG23 VAL 1 32.147 18.826 -13.842 12 H ALA 2 HN ALA 2 31.003 15.501 -10.705 13 HA ALA 2 HA ALA 2 28.229 14.965 -10.018 14 HB1 ALA 2 HB1 ALA 2 30.762 13.771 -8.900 15 HB2 ALA 2 HB2 ALA 2 29.799 13.096 -10.213 16 HB3 ALA 2 HB3 ALA 2 29.120 13.211 -8.590 17 H SER 3 HN SER 3 27.194 16.008 -8.472 18 HA SER 3 HA SER 3 28.633 17.581 -6.497 19 HB2 SER 3 HB2 SER 3 25.649 17.127 -6.776 20 HB3 SER 3 HB1 SER 3 26.441 18.379 -5.819 21 HG SER 3 HG SER 3 25.597 18.950 -8.008 22 H LYS 4 HN LYS 4 28.249 17.240 -4.165 23 HA LYS 4 HA LYS 4 28.165 14.386 -3.638 24 HB2 LYS 4 HB2 LYS 4 29.074 14.878 -1.463 25 HB3 LYS 4 HB1 LYS 4 30.004 15.725 -2.686 26 HG2 LYS 4 HG2 LYS 4 28.954 17.810 -2.119 27 HG3 LYS 4 HG1 LYS 4 27.859 16.994 -0.998 28 HD2 LYS 4 HD2 LYS 4 29.847 16.240 0.294 29 HD3 LYS 4 HD1 LYS 4 30.858 17.215 -0.770 30 HE2 LYS 4 HE2 LYS 4 29.746 19.231 -0.045 31 HE3 LYS 4 HE1 LYS 4 28.612 18.293 0.928 32 HZ1 LYS 4 HZ1 LYS 4 30.347 19.198 2.321 33 HZ2 LYS 4 HZ2 LYS 4 31.547 18.484 1.357 34 HZ3 LYS 4 HZ3 LYS 4 30.498 17.506 2.259 35 H ALA 5 HN ALA 5 26.698 13.346 -2.471 36 HA ALA 5 HA ALA 5 24.442 14.894 -1.372 37 HB1 ALA 5 HB1 ALA 5 24.399 12.105 -2.537 38 HB2 ALA 5 HB2 ALA 5 23.765 13.557 -3.312 39 HB3 ALA 5 HB3 ALA 5 23.021 12.949 -1.832 40 H ILE 6 HN ILE 6 24.497 14.872 0.777 41 HA ILE 6 HA ILE 6 26.074 12.797 2.107 42 HB ILE 6 HB ILE 6 24.948 15.328 3.315 43 HG12 ILE 6 HG12 ILE 6 27.731 14.810 2.234 44 HG13 ILE 6 HG11 ILE 6 26.514 15.814 1.453 45 HG21 ILE 6 HG21 ILE 6 26.632 14.923 5.056 46 HG22 ILE 6 HG22 ILE 6 27.095 13.424 4.250 47 HG23 ILE 6 HG23 ILE 6 25.480 13.593 4.936 48 HD11 ILE 6 HD11 ILE 6 27.768 16.333 4.139 49 HD12 ILE 6 HD12 ILE 6 26.553 17.340 3.354 50 HD13 ILE 6 HD13 ILE 6 28.151 17.162 2.630 51 H PHE 7 HN PHE 7 25.121 11.172 3.084 52 HA PHE 7 HA PHE 7 22.245 11.362 3.663 53 HB2 PHE 7 HB2 PHE 7 22.982 9.580 2.093 54 HB3 PHE 7 HB1 PHE 7 23.981 8.898 3.370 55 HD1 PHE 7 HD2 PHE 7 20.457 9.786 2.587 56 HD2 PHE 7 HD1 PHE 7 23.109 7.271 4.765 57 HE1 PHE 7 HE2 PHE 7 18.548 8.427 3.337 58 HE2 PHE 7 HE1 PHE 7 21.206 5.908 5.516 59 HZ PHE 7 HZ PHE 7 18.921 6.487 4.805 60 H TYR 8 HN TYR 8 22.037 12.096 5.688 61 HA TYR 8 HA TYR 8 23.788 11.119 7.804 62 HB2 TYR 8 HB2 TYR 8 21.605 13.203 7.743 63 HB3 TYR 8 HB1 TYR 8 22.385 12.691 9.235 64 HD1 TYR 8 HD1 TYR 8 25.042 12.771 9.130 65 HD2 TYR 8 HD2 TYR 8 22.435 15.083 6.690 66 HE1 TYR 8 HE1 TYR 8 26.836 14.412 8.782 67 HE2 TYR 8 HE2 TYR 8 24.227 16.732 6.332 68 HH TYR 8 HH TYR 8 26.291 17.485 7.419 69 H HIS 9 HN HIS 9 23.283 9.406 9.001 70 HA HIS 9 HA HIS 9 20.440 8.799 9.422 71 HB2 HIS 9 HB2 HIS 9 20.789 6.439 9.052 72 HB3 HIS 9 HB1 HIS 9 21.342 7.321 7.634 73 HD2 HIS 9 HD2 HIS 9 24.222 7.530 7.469 74 HE1 HIS 9 HE1 HIS 9 24.750 4.106 9.895 75 HE2 HIS 9 HE2 HIS 9 25.916 5.802 8.412 76 H ALA 10 HN ALA 10 20.326 6.925 11.161 77 HA ALA 10 HA ALA 10 22.172 7.682 13.330 78 HB1 ALA 10 HB1 ALA 10 20.323 7.507 14.899 79 HB2 ALA 10 HB2 ALA 10 19.228 7.078 13.585 80 HB3 ALA 10 HB3 ALA 10 19.954 8.683 13.638 81 H GLY 11 HN GLY 11 21.986 5.330 11.373 82 HA2 GLY 11 HA2 GLY 11 22.713 3.147 11.539 83 HA3 GLY 11 HA1 GLY 11 22.786 3.348 13.283 84 H CYS 12 HN CYS 12 19.812 4.107 11.754 85 HA CYS 12 HA CYS 12 18.514 1.905 13.104 86 HB2 CYS 12 HB2 CYS 12 17.303 4.018 11.307 87 HB3 CYS 12 HB1 CYS 12 16.445 2.981 12.443 88 HG CYS 12 HG CYS 12 18.275 4.237 14.527 89 HA PRO 13 HA PRO 13 18.283 -1.028 9.802 90 HB2 PRO 13 HB2 PRO 13 15.353 -1.140 10.346 91 HB3 PRO 13 HB1 PRO 13 16.534 -2.452 10.265 92 HG2 PRO 13 HG2 PRO 13 15.617 -1.610 12.613 93 HG3 PRO 13 HG1 PRO 13 17.322 -2.054 12.412 94 HD2 PRO 13 HD2 PRO 13 16.075 0.654 12.590 95 HD3 PRO 13 HD1 PRO 13 17.631 0.082 13.224 96 H VAL 14 HN VAL 14 15.680 1.376 9.904 97 HA VAL 14 HA VAL 14 14.846 1.197 7.237 98 HB VAL 14 HB VAL 14 14.836 3.678 8.967 99 HG11 VAL 14 HG11 VAL 14 12.896 4.330 7.617 100 HG12 VAL 14 HG12 VAL 14 13.108 2.887 6.625 101 HG13 VAL 14 HG13 VAL 14 14.347 4.142 6.631 102 HG21 VAL 14 HG21 VAL 14 12.786 1.475 8.760 103 HG22 VAL 14 HG22 VAL 14 12.582 2.986 9.647 104 HG23 VAL 14 HG23 VAL 14 13.807 1.824 10.154 105 H CYS 15 HN CYS 15 17.471 2.977 8.741 106 HA CYS 15 HA CYS 15 18.120 4.635 6.547 107 HB2 CYS 15 HB2 CYS 15 19.991 3.614 8.693 108 HB3 CYS 15 HB1 CYS 15 20.191 5.065 7.717 109 HG CYS 15 HG CYS 15 17.722 6.156 8.858 110 H VAL 16 HN VAL 16 19.179 1.423 7.553 111 HA VAL 16 HA VAL 16 21.190 1.072 5.604 112 HB VAL 16 HB VAL 16 19.512 -1.071 6.924 113 HG11 VAL 16 HG11 VAL 16 20.765 -1.894 5.007 114 HG12 VAL 16 HG12 VAL 16 21.446 -2.520 6.509 115 HG13 VAL 16 HG13 VAL 16 22.249 -1.199 5.660 116 HG21 VAL 16 HG21 VAL 16 21.307 -1.207 8.588 117 HG22 VAL 16 HG22 VAL 16 20.530 0.377 8.596 118 HG23 VAL 16 HG23 VAL 16 22.107 0.171 7.833 119 H SER 17 HN SER 17 17.730 0.338 5.640 120 HA SER 17 HA SER 17 17.614 -0.976 3.158 121 HB2 SER 17 HB2 SER 17 15.453 0.676 4.489 122 HB3 SER 17 HB1 SER 17 15.216 -0.577 3.269 123 HG SER 17 HG SER 17 16.269 -2.024 4.832 124 H ALA 18 HN ALA 18 17.412 2.437 4.041 125 HA ALA 18 HA ALA 18 16.811 3.391 1.435 126 HB1 ALA 18 HB1 ALA 18 17.443 5.582 2.296 127 HB2 ALA 18 HB2 ALA 18 18.153 4.827 3.724 128 HB3 ALA 18 HB3 ALA 18 16.415 4.729 3.446 129 H GLU 19 HN GLU 19 19.787 2.707 3.166 130 HA GLU 19 HA GLU 19 21.603 3.841 1.340 131 HB2 GLU 19 HB2 GLU 19 22.289 3.202 3.581 132 HB3 GLU 19 HB1 GLU 19 21.930 1.514 3.245 133 HG2 GLU 19 HG2 GLU 19 23.694 1.534 1.509 134 HG3 GLU 19 HG1 GLU 19 24.096 3.180 1.989 135 H GLN 20 HN GLN 20 20.174 0.612 1.543 136 HA GLN 20 HA GLN 20 21.772 -0.411 -0.613 137 HB2 GLN 20 HB2 GLN 20 19.380 -1.573 0.817 138 HB3 GLN 20 HB1 GLN 20 20.356 -2.437 -0.365 139 HG2 GLN 20 HG2 GLN 20 22.305 -2.235 1.068 140 HG3 GLN 20 HG1 GLN 20 21.364 -1.315 2.241 141 HE21 GLN 20 HE21 GLN 20 22.800 -3.848 2.515 142 HE22 GLN 20 HE22 GLN 20 21.631 -4.997 3.073 143 H ALA 21 HN ALA 21 18.744 1.227 -0.400 144 HA ALA 21 HA ALA 21 18.020 0.319 -3.098 145 HB1 ALA 21 HB1 ALA 21 16.326 1.780 -1.079 146 HB2 ALA 21 HB2 ALA 21 16.308 0.040 -1.374 147 HB3 ALA 21 HB3 ALA 21 15.788 1.155 -2.638 148 H VAL 22 HN VAL 22 17.725 3.372 -1.268 149 HA VAL 22 HA VAL 22 17.384 4.937 -3.591 150 HB VAL 22 HB VAL 22 18.264 5.880 -0.858 151 HG11 VAL 22 HG11 VAL 22 18.580 7.556 -2.594 152 HG12 VAL 22 HG12 VAL 22 17.256 8.012 -1.521 153 HG13 VAL 22 HG13 VAL 22 16.909 7.347 -3.117 154 HG21 VAL 22 HG21 VAL 22 15.881 6.283 -0.431 155 HG22 VAL 22 HG22 VAL 22 16.219 4.573 -0.693 156 HG23 VAL 22 HG23 VAL 22 15.484 5.534 -1.977 157 H ALA 23 HN ALA 23 20.204 4.344 -1.520 158 HA ALA 23 HA ALA 23 21.879 6.159 -2.968 159 HB1 ALA 23 HB1 ALA 23 23.678 5.334 -1.567 160 HB2 ALA 23 HB2 ALA 23 22.664 3.999 -1.018 161 HB3 ALA 23 HB3 ALA 23 22.242 5.658 -0.594 162 H ASN 24 HN ASN 24 20.712 3.143 -3.750 163 HA ASN 24 HA ASN 24 23.025 2.513 -5.439 164 HB2 ASN 24 HB2 ASN 24 20.686 0.910 -4.473 165 HB3 ASN 24 HB1 ASN 24 21.508 0.430 -5.954 166 HD21 ASN 24 HD21 ASN 24 22.191 -1.491 -4.997 167 HD22 ASN 24 HD22 ASN 24 23.482 -1.528 -3.847 168 H ALA 25 HN ALA 25 19.961 3.953 -5.511 169 HA ALA 25 HA ALA 25 19.570 3.576 -8.361 170 HB1 ALA 25 HB1 ALA 25 18.071 5.318 -6.408 171 HB2 ALA 25 HB2 ALA 25 17.619 3.683 -6.894 172 HB3 ALA 25 HB3 ALA 25 17.605 4.992 -8.077 173 H ILE 26 HN ILE 26 20.753 6.005 -6.133 174 HA ILE 26 HA ILE 26 21.125 7.995 -8.187 175 HB ILE 26 HB ILE 26 22.254 7.901 -5.379 176 HG12 ILE 26 HG12 ILE 26 19.830 9.356 -6.468 177 HG13 ILE 26 HG11 ILE 26 19.782 7.928 -5.439 178 HG21 ILE 26 HG21 ILE 26 23.538 9.357 -6.851 179 HG22 ILE 26 HG22 ILE 26 22.624 10.307 -5.679 180 HG23 ILE 26 HG23 ILE 26 22.059 10.182 -7.346 181 HD11 ILE 26 HD11 ILE 26 20.892 10.619 -4.675 182 HD12 ILE 26 HD12 ILE 26 20.845 9.189 -3.642 183 HD13 ILE 26 HD13 ILE 26 19.341 9.946 -4.169 184 H ASP 27 HN ASP 27 22.588 7.646 -9.702 185 HA ASP 27 HA ASP 27 24.694 5.761 -9.417 186 HB2 ASP 27 HB2 ASP 27 23.437 6.452 -11.560 187 HB3 ASP 27 HB1 ASP 27 24.539 7.826 -11.603 188 HA PRO 28 HA PRO 28 27.735 8.352 -7.466 189 HB2 PRO 28 HB2 PRO 28 29.623 6.427 -8.703 190 HB3 PRO 28 HB1 PRO 28 29.436 6.894 -7.009 191 HG2 PRO 28 HG2 PRO 28 28.587 4.520 -7.867 192 HG3 PRO 28 HG1 PRO 28 27.660 5.442 -6.668 193 HD2 PRO 28 HD2 PRO 28 27.162 5.108 -9.600 194 HD3 PRO 28 HD1 PRO 28 26.004 5.129 -8.254 195 H SER 29 HN SER 29 27.673 7.577 -10.853 196 HA SER 29 HA SER 29 29.857 9.292 -11.592 197 HB2 SER 29 HB2 SER 29 27.621 8.369 -13.403 198 HB3 SER 29 HB1 SER 29 29.276 8.790 -13.846 199 HG SER 29 HG SER 29 28.280 6.477 -12.585 200 H LYS 30 HN LYS 30 26.602 9.753 -10.730 201 HA LYS 30 HA LYS 30 26.472 12.368 -12.067 202 HB2 LYS 30 HB2 LYS 30 24.269 10.793 -10.716 203 HB3 LYS 30 HB1 LYS 30 24.070 12.296 -11.608 204 HG2 LYS 30 HG2 LYS 30 24.746 11.203 -13.660 205 HG3 LYS 30 HG1 LYS 30 25.045 9.701 -12.783 206 HD2 LYS 30 HD2 LYS 30 22.910 9.558 -13.885 207 HD3 LYS 30 HD1 LYS 30 22.654 9.652 -12.141 208 HE2 LYS 30 HE2 LYS 30 22.162 12.042 -12.347 209 HE3 LYS 30 HE1 LYS 30 22.414 11.942 -14.090 210 HZ1 LYS 30 HZ1 LYS 30 20.340 10.459 -12.570 211 HZ2 LYS 30 HZ2 LYS 30 20.559 10.412 -14.253 212 HZ3 LYS 30 HZ3 LYS 30 20.063 11.850 -13.494 213 H TYR 31 HN TYR 31 26.019 10.773 -8.938 214 HA TYR 31 HA TYR 31 26.736 13.290 -7.631 215 HB2 TYR 31 HB2 TYR 31 24.324 11.599 -6.960 216 HB3 TYR 31 HB1 TYR 31 24.998 12.794 -5.858 217 HD1 TYR 31 HD1 TYR 31 25.064 15.210 -6.597 218 HD2 TYR 31 HD2 TYR 31 22.841 12.241 -8.679 219 HE1 TYR 31 HE1 TYR 31 23.729 16.972 -7.672 220 HE2 TYR 31 HE2 TYR 31 21.501 13.995 -9.761 221 HH TYR 31 HH TYR 31 22.372 17.237 -9.766 222 H THR 32 HN THR 32 27.930 13.070 -5.808 223 HA THR 32 HA THR 32 29.016 10.414 -5.299 224 HB THR 32 HB THR 32 29.849 13.083 -4.140 225 HG1 THR 32 HG1 THR 32 30.161 12.036 -6.605 226 HG21 THR 32 HG21 THR 32 31.296 10.431 -4.269 227 HG22 THR 32 HG22 THR 32 30.595 11.150 -2.820 228 HG23 THR 32 HG23 THR 32 31.953 11.935 -3.625 229 H VAL 33 HN VAL 33 27.926 9.208 -3.891 230 HA VAL 33 HA VAL 33 26.224 10.448 -1.897 231 HB VAL 33 HB VAL 33 26.705 7.507 -2.416 232 HG11 VAL 33 HG11 VAL 33 24.503 8.926 -0.919 233 HG12 VAL 33 HG12 VAL 33 25.785 7.945 -0.208 234 HG13 VAL 33 HG13 VAL 33 24.572 7.195 -1.245 235 HG21 VAL 33 HG21 VAL 33 25.831 8.602 -4.410 236 HG22 VAL 33 HG22 VAL 33 24.524 9.311 -3.462 237 HG23 VAL 33 HG23 VAL 33 24.608 7.563 -3.681 238 H GLU 34 HN GLU 34 27.114 11.108 -0.059 239 HA GLU 34 HA GLU 34 29.196 9.423 1.167 240 HB2 GLU 34 HB2 GLU 34 28.585 12.352 1.606 241 HB3 GLU 34 HB1 GLU 34 29.794 11.436 2.495 242 HG2 GLU 34 HG2 GLU 34 30.883 10.958 0.268 243 HG3 GLU 34 HG1 GLU 34 29.795 12.168 -0.415 244 H ILE 35 HN ILE 35 28.260 8.061 2.530 245 HA ILE 35 HA ILE 35 25.883 8.865 4.007 246 HB ILE 35 HB ILE 35 27.330 6.209 3.959 247 HG12 ILE 35 HG12 ILE 35 24.809 7.038 2.506 248 HG13 ILE 35 HG11 ILE 35 26.402 7.000 1.758 249 HG21 ILE 35 HG21 ILE 35 25.245 5.315 4.890 250 HG22 ILE 35 HG22 ILE 35 24.584 6.948 4.970 251 HG23 ILE 35 HG23 ILE 35 25.974 6.509 5.962 252 HD11 ILE 35 HD11 ILE 35 24.952 4.640 2.926 253 HD12 ILE 35 HD12 ILE 35 26.536 4.606 2.152 254 HD13 ILE 35 HD13 ILE 35 25.103 5.025 1.212 255 H VAL 36 HN VAL 36 25.936 9.573 6.038 256 HA VAL 36 HA VAL 36 28.393 9.150 7.613 257 HB VAL 36 HB VAL 36 26.815 11.728 7.464 258 HG11 VAL 36 HG11 VAL 36 28.615 12.662 8.835 259 HG12 VAL 36 HG12 VAL 36 29.360 11.067 8.939 260 HG13 VAL 36 HG13 VAL 36 27.778 11.350 9.666 261 HG21 VAL 36 HG21 VAL 36 28.094 11.371 5.425 262 HG22 VAL 36 HG22 VAL 36 29.549 11.070 6.373 263 HG23 VAL 36 HG23 VAL 36 28.804 12.669 6.384 264 H HIS 37 HN HIS 37 28.024 8.327 9.563 265 HA HIS 37 HA HIS 37 25.350 8.050 10.589 266 HB2 HIS 37 HB2 HIS 37 27.276 6.393 10.900 267 HB3 HIS 37 HB1 HIS 37 27.915 7.517 12.092 268 HD2 HIS 37 HD2 HIS 37 25.564 4.589 11.877 269 HE1 HIS 37 HE1 HIS 37 24.710 6.558 15.521 270 HE2 HIS 37 HE2 HIS 37 24.515 4.379 14.242 271 H LEU 38 HN LEU 38 24.359 9.783 11.388 272 HA LEU 38 HA LEU 38 25.841 12.075 12.282 273 HB2 LEU 38 HB2 LEU 38 23.729 12.190 10.959 274 HB3 LEU 38 HB1 LEU 38 22.863 11.585 12.357 275 HG LEU 38 HG LEU 38 23.520 13.595 13.627 276 HD11 LEU 38 HD11 LEU 38 24.710 14.499 11.009 277 HD12 LEU 38 HD12 LEU 38 25.607 14.094 12.473 278 HD13 LEU 38 HD13 LEU 38 24.526 15.488 12.457 279 HD21 LEU 38 HD21 LEU 38 21.391 13.553 12.445 280 HD22 LEU 38 HD22 LEU 38 22.175 14.164 10.988 281 HD23 LEU 38 HD23 LEU 38 22.084 15.174 12.430 282 H GLY 39 HN GLY 39 24.734 9.277 13.774 283 HA2 GLY 39 HA2 GLY 39 24.255 10.493 16.372 284 HA3 GLY 39 HA1 GLY 39 24.162 8.780 15.986 285 H THR 40 HN THR 40 26.958 9.531 14.633 286 HA THR 40 HA THR 40 28.476 8.596 16.915 287 HB THR 40 HB THR 40 29.475 9.257 14.137 288 HG1 THR 40 HG1 THR 40 27.789 7.407 14.708 289 HG21 THR 40 HG21 THR 40 30.656 7.565 16.344 290 HG22 THR 40 HG22 THR 40 31.241 9.146 15.826 291 HG23 THR 40 HG23 THR 40 31.336 7.767 14.729 292 H ASP 41 HN ASP 41 28.250 11.504 14.914 293 HA ASP 41 HA ASP 41 30.162 12.808 16.737 294 HB2 ASP 41 HB2 ASP 41 30.983 12.579 14.398 295 HB3 ASP 41 HB1 ASP 41 29.609 13.539 13.854 296 H LYS 42 HN LYS 42 29.367 14.373 17.956 297 HA LYS 42 HA LYS 42 26.595 15.106 17.623 298 HB2 LYS 42 HB2 LYS 42 28.567 15.972 19.742 299 HB3 LYS 42 HB1 LYS 42 26.822 16.183 19.798 300 HG2 LYS 42 HG2 LYS 42 26.540 13.745 19.800 301 HG3 LYS 42 HG1 LYS 42 28.293 13.556 19.792 302 HD2 LYS 42 HD2 LYS 42 28.389 14.808 21.931 303 HD3 LYS 42 HD1 LYS 42 26.624 14.849 21.947 304 HE2 LYS 42 HE2 LYS 42 26.600 12.380 21.912 305 HE3 LYS 42 HE1 LYS 42 28.361 12.383 21.984 306 HZ1 LYS 42 HZ1 LYS 42 26.491 13.401 24.052 307 HZ2 LYS 42 HZ2 LYS 42 28.177 13.593 24.117 308 HZ3 LYS 42 HZ3 LYS 42 27.495 12.040 24.164 309 H ALA 43 HN ALA 43 29.692 16.547 17.012 310 HA ALA 43 HA ALA 43 28.795 19.254 16.930 311 HB1 ALA 43 HB1 ALA 43 31.156 18.681 17.243 312 HB2 ALA 43 HB2 ALA 43 30.925 19.730 15.843 313 HB3 ALA 43 HB3 ALA 43 31.206 18.004 15.615 314 H ARG 44 HN ARG 44 29.038 16.639 14.610 315 HA ARG 44 HA ARG 44 28.463 18.148 12.289 316 HB2 ARG 44 HB2 ARG 44 29.438 15.822 12.365 317 HB3 ARG 44 HB1 ARG 44 27.827 15.228 12.743 318 HG2 ARG 44 HG2 ARG 44 27.311 15.178 10.595 319 HG3 ARG 44 HG1 ARG 44 27.670 16.898 10.439 320 HD2 ARG 44 HD2 ARG 44 29.640 14.625 10.211 321 HD3 ARG 44 HD1 ARG 44 29.021 15.609 8.886 322 HE ARG 44 HE ARG 44 30.145 17.392 10.661 323 HH11 ARG 44 HH11 ARG 44 31.273 14.656 8.764 324 HH12 ARG 44 HH12 ARG 44 32.899 15.256 8.655 325 HH21 ARG 44 HH21 ARG 44 32.265 18.149 10.537 326 HH22 ARG 44 HH22 ARG 44 33.473 17.229 9.689 327 H ILE 45 HN ILE 45 26.473 16.879 14.831 328 HA ILE 45 HA ILE 45 23.971 16.945 13.547 329 HB ILE 45 HB ILE 45 24.608 17.518 16.452 330 HG12 ILE 45 HG12 ILE 45 23.754 14.954 15.087 331 HG13 ILE 45 HG11 ILE 45 25.374 15.303 15.681 332 HG21 ILE 45 HG21 ILE 45 22.403 18.349 15.846 333 HG22 ILE 45 HG22 ILE 45 22.266 16.929 16.881 334 HG23 ILE 45 HG23 ILE 45 21.990 16.785 15.146 335 HD11 ILE 45 HD11 ILE 45 24.517 15.416 17.959 336 HD12 ILE 45 HD12 ILE 45 24.158 13.860 17.208 337 HD13 ILE 45 HD13 ILE 45 22.892 15.077 17.365 338 H ALA 46 HN ALA 46 25.822 19.425 15.261 339 HA ALA 46 HA ALA 46 23.896 21.491 14.914 340 HB1 ALA 46 HB1 ALA 46 25.597 21.569 16.675 341 HB2 ALA 46 HB2 ALA 46 25.661 23.000 15.646 342 HB3 ALA 46 HB3 ALA 46 26.857 21.718 15.451 343 H GLU 47 HN GLU 47 26.494 20.216 12.965 344 HA GLU 47 HA GLU 47 26.570 22.333 11.057 345 HB2 GLU 47 HB2 GLU 47 27.311 19.412 10.770 346 HB3 GLU 47 HB1 GLU 47 27.673 20.660 9.587 347 HG2 GLU 47 HG2 GLU 47 29.054 21.814 11.257 348 HG3 GLU 47 HG1 GLU 47 28.723 20.515 12.403 349 H ALA 48 HN ALA 48 24.823 19.284 11.317 350 HA ALA 48 HA ALA 48 23.535 19.314 8.835 351 HB1 ALA 48 HB1 ALA 48 22.514 18.151 11.423 352 HB2 ALA 48 HB2 ALA 48 23.650 17.360 10.330 353 HB3 ALA 48 HB3 ALA 48 22.005 17.703 9.794 354 H GLU 49 HN GLU 49 22.700 20.837 11.899 355 HA GLU 49 HA GLU 49 20.118 21.716 11.152 356 HB2 GLU 49 HB2 GLU 49 22.047 22.853 13.182 357 HB3 GLU 49 HB1 GLU 49 20.367 23.344 13.020 358 HG2 GLU 49 HG2 GLU 49 19.705 20.990 13.474 359 HG3 GLU 49 HG1 GLU 49 21.401 20.631 13.802 360 H LYS 50 HN LYS 50 23.294 22.902 10.422 361 HA LYS 50 HA LYS 50 22.368 25.513 9.589 362 HB2 LYS 50 HB2 LYS 50 25.037 24.152 9.163 363 HB3 LYS 50 HB1 LYS 50 24.683 25.831 8.781 364 HG2 LYS 50 HG2 LYS 50 24.207 26.226 11.182 365 HG3 LYS 50 HG1 LYS 50 24.713 24.568 11.513 366 HD2 LYS 50 HD2 LYS 50 26.926 25.065 10.580 367 HD3 LYS 50 HD1 LYS 50 26.417 26.723 10.263 368 HE2 LYS 50 HE2 LYS 50 27.689 26.712 12.287 369 HE3 LYS 50 HE1 LYS 50 26.000 26.988 12.706 370 HZ1 LYS 50 HZ1 LYS 50 27.456 24.406 12.914 371 HZ2 LYS 50 HZ2 LYS 50 25.815 24.634 13.278 372 HZ3 LYS 50 HZ3 LYS 50 27.003 25.402 14.207 373 H ALA 51 HN ALA 51 22.895 22.392 8.193 374 HA ALA 51 HA ALA 51 22.811 23.303 5.461 375 HB1 ALA 51 HB1 ALA 51 22.574 20.512 6.586 376 HB2 ALA 51 HB2 ALA 51 24.069 21.295 6.072 377 HB3 ALA 51 HB3 ALA 51 22.814 20.930 4.889 378 H GLY 52 HN GLY 52 20.598 21.632 7.681 379 HA2 GLY 52 HA2 GLY 52 18.257 22.637 7.409 380 HA3 GLY 52 HA1 GLY 52 18.427 22.107 5.742 381 H VAL 53 HN VAL 53 19.766 20.160 8.280 382 HA VAL 53 HA VAL 53 17.875 18.042 7.676 383 HB VAL 53 HB VAL 53 20.248 18.068 9.553 384 HG11 VAL 53 HG11 VAL 53 18.571 15.759 8.575 385 HG12 VAL 53 HG12 VAL 53 18.605 16.399 10.218 386 HG13 VAL 53 HG13 VAL 53 20.039 15.626 9.543 387 HG21 VAL 53 HG21 VAL 53 20.913 18.358 7.234 388 HG22 VAL 53 HG22 VAL 53 19.958 16.952 6.767 389 HG23 VAL 53 HG23 VAL 53 21.367 16.754 7.809 390 H LYS 54 HN LYS 54 16.129 17.621 8.859 391 HA LYS 54 HA LYS 54 15.948 18.833 11.540 392 HB2 LYS 54 HB2 LYS 54 13.706 18.564 9.527 393 HB3 LYS 54 HB1 LYS 54 13.595 19.309 11.117 394 HG2 LYS 54 HG2 LYS 54 15.142 21.051 10.435 395 HG3 LYS 54 HG1 LYS 54 15.324 20.290 8.855 396 HD2 LYS 54 HD2 LYS 54 12.903 20.633 8.462 397 HD3 LYS 54 HD1 LYS 54 12.808 21.493 10.002 398 HE2 LYS 54 HE2 LYS 54 14.471 23.111 9.171 399 HE3 LYS 54 HE1 LYS 54 14.488 22.272 7.620 400 HZ1 LYS 54 HZ1 LYS 54 12.140 22.795 7.356 401 HZ2 LYS 54 HZ2 LYS 54 13.057 24.208 7.555 402 HZ3 LYS 54 HZ3 LYS 54 12.138 23.611 8.844 403 H SER 55 HN SER 55 15.843 16.019 9.727 404 HA SER 55 HA SER 55 14.983 14.486 12.028 405 HB2 SER 55 HB2 SER 55 13.577 14.187 9.357 406 HB3 SER 55 HB1 SER 55 13.294 13.207 10.796 407 HG SER 55 HG SER 55 13.061 15.802 11.422 408 H VAL 56 HN VAL 56 15.185 12.052 11.451 409 HA VAL 56 HA VAL 56 17.286 11.633 9.439 410 HB VAL 56 HB VAL 56 18.358 9.960 10.963 411 HG11 VAL 56 HG11 VAL 56 19.553 11.612 12.322 412 HG12 VAL 56 HG12 VAL 56 18.313 12.808 11.950 413 HG13 VAL 56 HG13 VAL 56 19.332 12.166 10.662 414 HG21 VAL 56 HG21 VAL 56 17.920 10.119 13.372 415 HG22 VAL 56 HG22 VAL 56 16.497 9.574 12.483 416 HG23 VAL 56 HG23 VAL 56 16.596 11.240 13.052 417 HA PRO 57 HA PRO 57 18.388 10.026 8.690 418 HB2 PRO 57 HB2 PRO 57 18.449 8.640 6.395 419 HB3 PRO 57 HB1 PRO 57 18.637 7.849 7.964 420 HG2 PRO 57 HG2 PRO 57 16.258 7.964 6.171 421 HG3 PRO 57 HG1 PRO 57 16.840 6.631 7.182 422 HD2 PRO 57 HD2 PRO 57 14.773 8.375 7.841 423 HD3 PRO 57 HD1 PRO 57 15.666 7.361 8.989 424 H ALA 58 HN ALA 58 19.251 11.301 6.964 425 HA ALA 58 HA ALA 58 17.214 12.627 5.301 426 HB1 ALA 58 HB1 ALA 58 19.411 14.021 6.822 427 HB2 ALA 58 HB2 ALA 58 17.700 14.030 7.246 428 HB3 ALA 58 HB3 ALA 58 18.241 14.786 5.747 429 H LEU 59 HN LEU 59 17.706 12.688 3.242 430 HA LEU 59 HA LEU 59 20.457 12.180 2.372 431 HB2 LEU 59 HB2 LEU 59 18.758 10.736 1.422 432 HB3 LEU 59 HB1 LEU 59 17.810 12.120 0.918 433 HG LEU 59 HG LEU 59 19.656 12.735 -0.654 434 HD11 LEU 59 HD11 LEU 59 21.490 11.583 0.460 435 HD12 LEU 59 HD12 LEU 59 21.317 11.038 -1.209 436 HD13 LEU 59 HD13 LEU 59 20.732 10.027 0.113 437 HD21 LEU 59 HD21 LEU 59 17.674 11.541 -1.410 438 HD22 LEU 59 HD22 LEU 59 18.434 10.002 -1.004 439 HD23 LEU 59 HD23 LEU 59 19.106 11.005 -2.290 440 H VAL 60 HN VAL 60 21.538 14.087 2.390 441 HA VAL 60 HA VAL 60 20.210 16.516 1.473 442 HB VAL 60 HB VAL 60 23.039 16.192 2.492 443 HG11 VAL 60 HG11 VAL 60 22.919 18.604 2.892 444 HG12 VAL 60 HG12 VAL 60 21.303 18.640 2.188 445 HG13 VAL 60 HG13 VAL 60 22.692 18.219 1.186 446 HG21 VAL 60 HG21 VAL 60 22.190 17.022 4.636 447 HG22 VAL 60 HG22 VAL 60 21.454 15.482 4.195 448 HG23 VAL 60 HG23 VAL 60 20.547 16.981 3.997 449 H ILE 61 HN ILE 61 20.030 16.410 -0.717 450 HA ILE 61 HA ILE 61 22.335 15.616 -2.317 451 HB ILE 61 HB ILE 61 19.580 16.457 -3.240 452 HG12 ILE 61 HG12 ILE 61 20.746 13.682 -2.903 453 HG13 ILE 61 HG11 ILE 61 19.529 14.409 -1.857 454 HG21 ILE 61 HG21 ILE 61 21.834 15.093 -4.711 455 HG22 ILE 61 HG22 ILE 61 21.281 16.750 -4.953 456 HG23 ILE 61 HG23 ILE 61 20.222 15.399 -5.360 457 HD11 ILE 61 HD11 ILE 61 18.525 12.856 -3.423 458 HD12 ILE 61 HD12 ILE 61 19.195 13.765 -4.779 459 HD13 ILE 61 HD13 ILE 61 17.975 14.502 -3.740 460 H ASP 62 HN ASP 62 23.800 17.254 -2.176 461 HA ASP 62 HA ASP 62 24.875 19.114 -2.902 462 HB2 ASP 62 HB2 ASP 62 23.791 18.528 -5.055 463 HB3 ASP 62 HB1 ASP 62 22.426 19.548 -4.625 464 H GLY 63 HN GLY 63 22.312 19.185 -0.961 465 HA2 GLY 63 HA2 GLY 63 22.671 21.242 0.589 466 HA3 GLY 63 HA1 GLY 63 22.075 22.105 -0.823 467 H ALA 64 HN ALA 64 20.234 19.935 -1.548 468 HA ALA 64 HA ALA 64 18.060 20.735 0.193 469 HB1 ALA 64 HB1 ALA 64 17.736 20.698 -2.235 470 HB2 ALA 64 HB2 ALA 64 16.622 19.602 -1.418 471 HB3 ALA 64 HB3 ALA 64 18.041 18.962 -2.249 472 H ALA 65 HN ALA 65 17.651 19.654 1.997 473 HA ALA 65 HA ALA 65 18.600 16.925 2.310 474 HB1 ALA 65 HB1 ALA 65 17.303 18.768 4.314 475 HB2 ALA 65 HB2 ALA 65 19.038 18.543 4.089 476 HB3 ALA 65 HB3 ALA 65 18.044 17.205 4.665 477 H PHE 66 HN PHE 66 17.334 15.350 1.617 478 HA PHE 66 HA PHE 66 14.427 15.582 2.007 479 HB2 PHE 66 HB2 PHE 66 15.995 13.717 0.211 480 HB3 PHE 66 HB1 PHE 66 14.241 13.761 0.350 481 HD1 PHE 66 HD2 PHE 66 13.080 15.974 -0.225 482 HD2 PHE 66 HD1 PHE 66 17.079 15.046 -1.343 483 HE1 PHE 66 HE2 PHE 66 12.981 17.690 -1.982 484 HE2 PHE 66 HE1 PHE 66 16.988 16.762 -3.102 485 HZ PHE 66 HZ PHE 66 14.936 18.087 -3.425 486 H HIS 67 HN HIS 67 13.761 14.678 3.815 487 HA HIS 67 HA HIS 67 15.318 12.698 5.199 488 HB2 HIS 67 HB2 HIS 67 12.536 13.717 5.820 489 HB3 HIS 67 HB1 HIS 67 13.605 12.856 6.922 490 HD1 HIS 67 HD1 HIS 67 12.916 16.249 5.546 491 HD2 HIS 67 HD2 HIS 67 15.791 14.368 7.881 492 HE1 HIS 67 HE1 HIS 67 14.247 18.091 6.653 493 H ILE 68 HN ILE 68 15.314 10.647 4.531 494 HA ILE 68 HA ILE 68 13.081 9.618 2.992 495 HB ILE 68 HB ILE 68 15.679 8.263 3.738 496 HG12 ILE 68 HG12 ILE 68 14.867 9.641 1.166 497 HG13 ILE 68 HG11 ILE 68 15.994 10.289 2.353 498 HG21 ILE 68 HG21 ILE 68 13.582 7.524 1.698 499 HG22 ILE 68 HG22 ILE 68 13.917 6.672 3.205 500 HG23 ILE 68 HG23 ILE 68 15.129 6.706 1.924 501 HD11 ILE 68 HD11 ILE 68 16.375 7.779 0.738 502 HD12 ILE 68 HD12 ILE 68 17.503 8.416 1.934 503 HD13 ILE 68 HD13 ILE 68 17.167 9.331 0.463 504 H ASN 69 HN ASN 69 11.394 9.069 4.195 505 HA ASN 69 HA ASN 69 10.063 7.982 5.665 506 HB2 ASN 69 HB2 ASN 69 12.451 6.159 5.733 507 HB3 ASN 69 HB1 ASN 69 11.074 5.879 6.792 508 HD21 ASN 69 HD21 ASN 69 12.121 4.265 4.589 509 HD22 ASN 69 HD22 ASN 69 10.800 4.060 3.488 510 H PHE 70 HN PHE 70 9.630 9.336 7.248 511 HA PHE 70 HA PHE 70 11.473 10.405 9.065 512 HB2 PHE 70 HB2 PHE 70 9.345 11.500 8.572 513 HB3 PHE 70 HB1 PHE 70 8.464 10.160 9.293 514 HD1 PHE 70 HD1 PHE 70 10.857 12.886 10.063 515 HD2 PHE 70 HD2 PHE 70 7.983 10.138 11.580 516 HE1 PHE 70 HE1 PHE 70 10.921 14.026 12.243 517 HE2 PHE 70 HE2 PHE 70 8.043 11.273 13.763 518 HZ PHE 70 HZ PHE 70 9.514 13.221 14.095 519 H GLY 71 HN GLY 71 12.657 9.057 10.280 520 HA2 GLY 71 HA2 GLY 71 11.302 7.001 11.869 521 HA3 GLY 71 HA1 GLY 71 13.043 7.198 11.695 522 H ALA 72 HN ALA 72 13.749 9.505 12.462 523 HA ALA 72 HA ALA 72 12.273 10.324 14.857 524 HB1 ALA 72 HB1 ALA 72 13.999 8.767 15.637 525 HB2 ALA 72 HB2 ALA 72 14.321 10.411 16.187 526 HB3 ALA 72 HB3 ALA 72 15.236 9.737 14.838 527 H GLY 73 HN GLY 73 13.001 12.492 15.632 528 HA2 GLY 73 HA2 GLY 73 13.716 14.161 13.339 529 HA3 GLY 73 HA1 GLY 73 13.095 14.724 14.886 530 H ILE 74 HN ILE 74 15.251 16.002 13.734 531 HA ILE 74 HA ILE 74 17.721 14.974 14.750 532 HB ILE 74 HB ILE 74 17.522 16.598 12.822 533 HG12 ILE 74 HG12 ILE 74 19.347 17.485 15.068 534 HG13 ILE 74 HG11 ILE 74 19.653 16.098 14.027 535 HG21 ILE 74 HG21 ILE 74 17.090 18.590 15.047 536 HG22 ILE 74 HG22 ILE 74 15.927 18.150 13.795 537 HG23 ILE 74 HG23 ILE 74 17.414 18.993 13.360 538 HD11 ILE 74 HD11 ILE 74 19.447 18.964 13.132 539 HD12 ILE 74 HD12 ILE 74 19.760 17.575 12.090 540 HD13 ILE 74 HD13 ILE 74 20.933 18.034 13.324 541 H ASP 75 HN ASP 75 15.076 16.625 16.080 542 HA ASP 75 HA ASP 75 16.481 17.757 18.326 543 HB2 ASP 75 HB2 ASP 75 14.230 18.298 19.170 544 HB3 ASP 75 HB1 ASP 75 14.448 18.836 17.509 545 H ASP 76 HN ASP 76 14.940 14.764 17.493 546 HA ASP 76 HA ASP 76 14.757 13.685 20.118 547 HB2 ASP 76 HB2 ASP 76 14.908 12.409 17.388 548 HB3 ASP 76 HB1 ASP 76 14.840 11.449 18.860 549 H LEU 77 HN LEU 77 17.300 14.066 17.805 550 HA LEU 77 HA LEU 77 19.156 12.268 19.022 551 HB2 LEU 77 HB2 LEU 77 19.660 14.616 17.189 552 HB3 LEU 77 HB1 LEU 77 20.824 13.370 17.595 553 HG LEU 77 HG LEU 77 18.256 12.935 16.065 554 HD11 LEU 77 HD11 LEU 77 19.735 12.526 14.159 555 HD12 LEU 77 HD12 LEU 77 21.129 12.960 15.150 556 HD13 LEU 77 HD13 LEU 77 19.903 14.171 14.773 557 HD21 LEU 77 HD21 LEU 77 20.506 11.035 16.721 558 HD22 LEU 77 HD22 LEU 77 19.134 10.684 15.671 559 HD23 LEU 77 HD23 LEU 77 18.874 10.984 17.390 560 H LYS 78 HN LYS 78 18.159 15.527 19.573 561 HA LYS 78 HA LYS 78 20.412 16.273 21.194 562 HB2 LYS 78 HB2 LYS 78 17.647 17.491 20.983 563 HB3 LYS 78 HB1 LYS 78 19.010 18.214 21.826 564 HG2 LYS 78 HG2 LYS 78 20.218 18.470 19.760 565 HG3 LYS 78 HG1 LYS 78 18.958 17.604 18.877 566 HD2 LYS 78 HD2 LYS 78 17.352 19.368 19.460 567 HD3 LYS 78 HD1 LYS 78 18.627 20.236 20.318 568 HE2 LYS 78 HE2 LYS 78 18.712 19.544 17.384 569 HE3 LYS 78 HE1 LYS 78 18.168 21.094 18.022 570 HZ1 LYS 78 HZ1 LYS 78 20.369 21.383 19.031 571 HZ2 LYS 78 HZ2 LYS 78 20.461 21.240 17.341 572 HZ3 LYS 78 HZ3 LYS 78 20.882 19.931 18.327 573 H GLY 79 HN GLY 79 17.495 14.524 21.609 574 HA2 GLY 79 HA2 GLY 79 17.338 14.773 24.465 575 HA3 GLY 79 HA1 GLY 79 16.460 13.623 23.464 576 H SER 80 HN SER 80 18.340 13.628 25.967 577 HA SER 80 HA SER 80 20.491 11.912 25.289 578 HB2 SER 80 HB2 SER 80 19.195 12.289 27.998 579 HB3 SER 80 HB1 SER 80 20.838 11.733 27.672 580 HG SER 80 HG SER 80 21.432 13.743 27.091 581 H1 VAL 1 HT1 VAL 1 18.169 -3.314 -17.031 582 H2 VAL 1 HT2 VAL 1 17.830 -2.083 -18.144 583 H3 VAL 1 HT3 VAL 1 17.830 -3.702 -18.651 584 HA VAL 1 HA VAL 1 15.587 -2.879 -18.416 585 HB VAL 1 HB VAL 1 14.682 -4.574 -16.896 586 HG11 VAL 1 HG11 VAL 1 15.401 -5.283 -19.100 587 HG12 VAL 1 HG12 VAL 1 15.707 -6.557 -17.919 588 HG13 VAL 1 HG13 VAL 1 17.037 -5.555 -18.500 589 HG21 VAL 1 HG21 VAL 1 17.543 -4.990 -16.035 590 HG22 VAL 1 HG22 VAL 1 16.174 -6.002 -15.575 591 HG23 VAL 1 HG23 VAL 1 16.245 -4.321 -15.047 592 H ALA 2 HN ALA 2 13.856 -2.354 -16.773 593 HA ALA 2 HA ALA 2 14.905 -0.809 -14.528 594 HB1 ALA 2 HB1 ALA 2 13.670 1.183 -15.178 595 HB2 ALA 2 HB2 ALA 2 13.121 0.379 -16.648 596 HB3 ALA 2 HB3 ALA 2 14.834 0.735 -16.425 597 H SER 3 HN SER 3 13.782 -1.362 -12.797 598 HA SER 3 HA SER 3 11.031 -2.234 -12.954 599 HB2 SER 3 HB2 SER 3 12.714 -1.570 -10.519 600 HB3 SER 3 HB1 SER 3 11.196 -2.470 -10.531 601 HG SER 3 HG SER 3 12.272 -4.201 -11.000 602 H LYS 4 HN LYS 4 9.267 -1.008 -11.882 603 HA LYS 4 HA LYS 4 9.687 1.801 -12.453 604 HB2 LYS 4 HB2 LYS 4 7.354 2.084 -12.517 605 HB3 LYS 4 HB1 LYS 4 7.670 0.545 -13.296 606 HG2 LYS 4 HG2 LYS 4 6.869 -0.663 -11.409 607 HG3 LYS 4 HG1 LYS 4 6.792 0.806 -10.430 608 HD2 LYS 4 HD2 LYS 4 5.130 1.713 -12.054 609 HD3 LYS 4 HD1 LYS 4 5.127 0.142 -12.854 610 HE2 LYS 4 HE2 LYS 4 4.301 -0.915 -10.838 611 HE3 LYS 4 HE1 LYS 4 4.398 0.616 -9.967 612 HZ1 LYS 4 HZ1 LYS 4 2.749 1.541 -11.484 613 HZ2 LYS 4 HZ2 LYS 4 2.140 0.169 -10.694 614 HZ3 LYS 4 HZ3 LYS 4 2.649 0.057 -12.305 615 H ALA 5 HN ALA 5 9.692 3.412 -11.085 616 HA ALA 5 HA ALA 5 9.340 2.829 -8.219 617 HB1 ALA 5 HB1 ALA 5 11.618 3.525 -8.792 618 HB2 ALA 5 HB2 ALA 5 10.816 4.744 -7.801 619 HB3 ALA 5 HB3 ALA 5 10.986 4.994 -9.539 620 H ILE 6 HN ILE 6 7.623 3.763 -7.292 621 HA ILE 6 HA ILE 6 6.019 5.505 -9.011 622 HB ILE 6 HB ILE 6 5.158 4.165 -6.448 623 HG12 ILE 6 HG12 ILE 6 4.763 3.195 -9.290 624 HG13 ILE 6 HG11 ILE 6 5.923 2.512 -8.154 625 HG21 ILE 6 HG21 ILE 6 2.905 4.530 -7.351 626 HG22 ILE 6 HG22 ILE 6 3.606 5.344 -8.750 627 HG23 ILE 6 HG23 ILE 6 3.782 6.047 -7.142 628 HD11 ILE 6 HD11 ILE 6 2.933 2.545 -7.814 629 HD12 ILE 6 HD12 ILE 6 4.095 1.851 -6.683 630 HD13 ILE 6 HD13 ILE 6 3.912 1.159 -8.295 631 H PHE 7 HN PHE 7 5.995 7.598 -8.678 632 HA PHE 7 HA PHE 7 6.815 8.644 -6.064 633 HB2 PHE 7 HB2 PHE 7 8.042 9.447 -8.067 634 HB3 PHE 7 HB1 PHE 7 6.535 10.082 -8.715 635 HD1 PHE 7 HD1 PHE 7 8.820 10.361 -5.796 636 HD2 PHE 7 HD2 PHE 7 5.883 12.253 -8.226 637 HE1 PHE 7 HE1 PHE 7 9.230 12.489 -4.629 638 HE2 PHE 7 HE2 PHE 7 6.285 14.382 -7.062 639 HZ PHE 7 HZ PHE 7 7.960 14.502 -5.263 640 H TYR 8 HN TYR 8 5.103 8.786 -4.771 641 HA TYR 8 HA TYR 8 2.524 9.644 -5.829 642 HB2 TYR 8 HB2 TYR 8 3.395 8.548 -3.159 643 HB3 TYR 8 HB1 TYR 8 1.796 9.234 -3.407 644 HD1 TYR 8 HD2 TYR 8 0.508 8.237 -5.498 645 HD2 TYR 8 HD1 TYR 8 3.648 6.263 -3.419 646 HE1 TYR 8 HE2 TYR 8 -0.315 6.075 -6.323 647 HE2 TYR 8 HE1 TYR 8 2.833 4.091 -4.241 648 HH TYR 8 HH TYR 8 0.733 3.106 -5.080 649 H HIS 9 HN HIS 9 1.919 11.697 -5.777 650 HA HIS 9 HA HIS 9 2.769 13.364 -3.543 651 HB2 HIS 9 HB2 HIS 9 3.560 15.164 -4.915 652 HB3 HIS 9 HB1 HIS 9 4.427 13.709 -5.383 653 HD2 HIS 9 HD2 HIS 9 3.456 12.563 -7.873 654 HE1 HIS 9 HE1 HIS 9 1.984 16.317 -9.154 655 HE2 HIS 9 HE2 HIS 9 2.780 14.034 -9.901 656 H ALA 10 HN ALA 10 1.678 15.691 -3.990 657 HA ALA 10 HA ALA 10 -1.115 15.124 -4.733 658 HB1 ALA 10 HB1 ALA 10 -0.205 16.692 -2.325 659 HB2 ALA 10 HB2 ALA 10 -0.866 15.058 -2.300 660 HB3 ALA 10 HB3 ALA 10 -1.875 16.410 -2.813 661 H GLY 11 HN GLY 11 1.410 16.784 -5.737 662 HA2 GLY 11 HA2 GLY 11 1.334 18.467 -7.371 663 HA3 GLY 11 HA1 GLY 11 -0.270 18.910 -6.812 664 H CYS 12 HN CYS 12 0.752 18.995 -3.991 665 HA CYS 12 HA CYS 12 1.183 21.691 -3.671 666 HB2 CYS 12 HB2 CYS 12 2.318 19.527 -1.888 667 HB3 CYS 12 HB1 CYS 12 1.919 21.178 -1.422 668 HG CYS 12 HG CYS 12 -0.887 20.640 -2.179 669 HA PRO 13 HA PRO 13 5.200 22.845 -5.063 670 HB2 PRO 13 HB2 PRO 13 5.479 24.126 -2.376 671 HB3 PRO 13 HB1 PRO 13 5.773 24.803 -3.984 672 HG2 PRO 13 HG2 PRO 13 3.555 25.422 -2.680 673 HG3 PRO 13 HG1 PRO 13 3.502 25.086 -4.422 674 HD2 PRO 13 HD2 PRO 13 2.653 23.369 -2.130 675 HD3 PRO 13 HD1 PRO 13 1.924 23.545 -3.739 676 H VAL 14 HN VAL 14 4.978 21.464 -1.809 677 HA VAL 14 HA VAL 14 7.671 20.845 -1.388 678 HB VAL 14 HB VAL 14 5.256 19.233 -0.530 679 HG11 VAL 14 HG11 VAL 14 6.694 18.377 1.254 680 HG12 VAL 14 HG12 VAL 14 8.061 19.265 0.580 681 HG13 VAL 14 HG13 VAL 14 7.324 17.952 -0.339 682 HG21 VAL 14 HG21 VAL 14 5.441 20.470 1.579 683 HG22 VAL 14 HG22 VAL 14 5.121 21.544 0.216 684 HG23 VAL 14 HG23 VAL 14 6.747 21.436 0.890 685 H CYS 15 HN CYS 15 5.194 19.196 -3.254 686 HA CYS 15 HA CYS 15 6.605 16.789 -3.740 687 HB2 CYS 15 HB2 CYS 15 4.591 18.021 -5.616 688 HB3 CYS 15 HB1 CYS 15 4.917 16.315 -5.336 689 HG CYS 15 HG CYS 15 2.856 18.391 -3.733 690 H VAL 16 HN VAL 16 6.390 19.878 -5.390 691 HA VAL 16 HA VAL 16 7.703 19.164 -7.773 692 HB VAL 16 HB VAL 16 7.602 21.892 -6.476 693 HG11 VAL 16 HG11 VAL 16 7.833 22.739 -8.760 694 HG12 VAL 16 HG12 VAL 16 7.982 21.086 -9.357 695 HG13 VAL 16 HG13 VAL 16 9.219 21.753 -8.291 696 HG21 VAL 16 HG21 VAL 16 5.365 20.950 -6.683 697 HG22 VAL 16 HG22 VAL 16 5.659 20.597 -8.385 698 HG23 VAL 16 HG23 VAL 16 5.596 22.270 -7.830 699 H SER 17 HN SER 17 8.894 20.548 -4.732 700 HA SER 17 HA SER 17 11.561 20.931 -5.471 701 HB2 SER 17 HB2 SER 17 10.568 20.116 -2.730 702 HB3 SER 17 HB1 SER 17 12.028 21.031 -3.107 703 HG SER 17 HG SER 17 10.834 22.784 -3.606 704 H ALA 18 HN ALA 18 9.989 18.122 -3.963 705 HA ALA 18 HA ALA 18 12.293 16.502 -3.812 706 HB1 ALA 18 HB1 ALA 18 10.749 14.649 -3.461 707 HB2 ALA 18 HB2 ALA 18 9.405 15.652 -4.007 708 HB3 ALA 18 HB3 ALA 18 10.259 16.057 -2.518 709 H GLU 19 HN GLU 19 9.731 16.771 -6.239 710 HA GLU 19 HA GLU 19 10.557 14.748 -7.969 711 HB2 GLU 19 HB2 GLU 19 8.398 15.830 -8.199 712 HB3 GLU 19 HB1 GLU 19 9.169 17.365 -8.568 713 HG2 GLU 19 HG2 GLU 19 10.118 16.335 -10.615 714 HG3 GLU 19 HG1 GLU 19 9.187 14.879 -10.261 715 H GLN 20 HN GLN 20 11.333 18.223 -8.059 716 HA GLN 20 HA GLN 20 12.828 18.244 -10.384 717 HB2 GLN 20 HB2 GLN 20 12.108 20.272 -9.193 718 HB3 GLN 20 HB1 GLN 20 13.271 19.934 -7.917 719 HG2 GLN 20 HG2 GLN 20 15.091 20.134 -9.556 720 HG3 GLN 20 HG1 GLN 20 13.906 20.544 -10.793 721 HE21 GLN 20 HE21 GLN 20 16.155 22.080 -9.807 722 HE22 GLN 20 HE22 GLN 20 15.500 23.574 -9.220 723 H ALA 21 HN ALA 21 14.029 17.782 -7.055 724 HA ALA 21 HA ALA 21 16.740 17.587 -7.963 725 HB1 ALA 21 HB1 ALA 21 17.297 17.170 -5.644 726 HB2 ALA 21 HB2 ALA 21 15.592 16.931 -5.257 727 HB3 ALA 21 HB3 ALA 21 16.166 18.517 -5.774 728 H VAL 22 HN VAL 22 14.453 15.198 -6.584 729 HA VAL 22 HA VAL 22 16.459 13.153 -6.650 730 HB VAL 22 HB VAL 22 13.503 12.768 -6.175 731 HG11 VAL 22 HG11 VAL 22 14.762 10.710 -6.589 732 HG12 VAL 22 HG12 VAL 22 14.217 10.802 -4.915 733 HG13 VAL 22 HG13 VAL 22 15.900 11.146 -5.312 734 HG21 VAL 22 HG21 VAL 22 15.679 13.422 -4.188 735 HG22 VAL 22 HG22 VAL 22 14.017 12.990 -3.786 736 HG23 VAL 22 HG23 VAL 22 14.353 14.482 -4.666 737 H ALA 23 HN ALA 23 13.699 13.982 -8.715 738 HA ALA 23 HA ALA 23 13.746 11.493 -10.124 739 HB1 ALA 23 HB1 ALA 23 11.705 12.830 -9.951 740 HB2 ALA 23 HB2 ALA 23 12.134 12.498 -11.630 741 HB3 ALA 23 HB3 ALA 23 12.451 14.089 -10.937 742 H ASN 24 HN ASN 24 15.668 14.309 -10.341 743 HA ASN 24 HA ASN 24 16.535 13.590 -13.043 744 HB2 ASN 24 HB2 ASN 24 17.089 15.970 -11.295 745 HB3 ASN 24 HB1 ASN 24 18.132 15.601 -12.665 746 HD21 ASN 24 HD21 ASN 24 15.132 16.880 -11.638 747 HD22 ASN 24 HD22 ASN 24 14.538 17.321 -13.203 748 H ALA 25 HN ALA 25 17.432 13.282 -9.739 749 HA ALA 25 HA ALA 25 20.169 12.613 -10.139 750 HB1 ALA 25 HB1 ALA 25 18.317 11.849 -7.879 751 HB2 ALA 25 HB2 ALA 25 19.307 13.306 -7.953 752 HB3 ALA 25 HB3 ALA 25 20.076 11.721 -7.865 753 H ILE 26 HN ILE 26 17.238 10.665 -9.635 754 HA ILE 26 HA ILE 26 18.639 8.221 -10.322 755 HB ILE 26 HB ILE 26 15.689 8.664 -9.811 756 HG12 ILE 26 HG12 ILE 26 17.838 7.641 -7.939 757 HG13 ILE 26 HG11 ILE 26 17.126 9.249 -7.873 758 HG21 ILE 26 HG21 ILE 26 16.127 6.641 -11.089 759 HG22 ILE 26 HG22 ILE 26 15.619 6.237 -9.449 760 HG23 ILE 26 HG23 ILE 26 17.321 6.128 -9.897 761 HD11 ILE 26 HD11 ILE 26 14.949 8.264 -7.384 762 HD12 ILE 26 HD12 ILE 26 16.162 7.784 -6.197 763 HD13 ILE 26 HD13 ILE 26 15.663 6.652 -7.455 764 H ASP 27 HN ASP 27 18.854 7.504 -12.343 765 HA ASP 27 HA ASP 27 17.623 8.890 -14.528 766 HB2 ASP 27 HB2 ASP 27 19.293 6.365 -14.513 767 HB3 ASP 27 HB1 ASP 27 18.804 7.244 -15.957 768 HA PRO 28 HA PRO 28 13.921 6.395 -14.832 769 HB2 PRO 28 HB2 PRO 28 13.976 7.357 -17.635 770 HB3 PRO 28 HB1 PRO 28 12.701 7.502 -16.421 771 HG2 PRO 28 HG2 PRO 28 14.170 9.615 -17.130 772 HG3 PRO 28 HG1 PRO 28 13.656 9.376 -15.450 773 HD2 PRO 28 HD2 PRO 28 16.326 8.872 -16.709 774 HD3 PRO 28 HD1 PRO 28 15.942 9.560 -15.116 775 H SER 29 HN SER 29 16.751 6.196 -16.792 776 HA SER 29 HA SER 29 16.030 3.865 -18.262 777 HB2 SER 29 HB2 SER 29 18.801 4.885 -17.605 778 HB3 SER 29 HB1 SER 29 18.350 3.814 -18.933 779 HG SER 29 HG SER 29 16.934 5.641 -19.603 780 H LYS 30 HN LYS 30 17.352 4.476 -15.098 781 HA LYS 30 HA LYS 30 18.110 1.712 -14.645 782 HB2 LYS 30 HB2 LYS 30 17.836 3.980 -12.661 783 HB3 LYS 30 HB1 LYS 30 18.585 2.422 -12.353 784 HG2 LYS 30 HG2 LYS 30 20.321 2.971 -14.022 785 HG3 LYS 30 HG1 LYS 30 19.590 4.571 -14.206 786 HD2 LYS 30 HD2 LYS 30 19.902 4.933 -11.770 787 HD3 LYS 30 HD1 LYS 30 20.749 3.390 -11.683 788 HE2 LYS 30 HE2 LYS 30 21.579 5.797 -13.293 789 HE3 LYS 30 HE1 LYS 30 22.311 5.247 -11.788 790 HZ1 LYS 30 HZ1 LYS 30 22.697 3.074 -13.088 791 HZ2 LYS 30 HZ2 LYS 30 23.711 4.397 -13.389 792 HZ3 LYS 30 HZ3 LYS 30 22.454 4.029 -14.472 793 H TYR 31 HN TYR 31 15.679 3.995 -13.470 794 HA TYR 31 HA TYR 31 13.848 1.755 -12.997 795 HB2 TYR 31 HB2 TYR 31 14.371 4.031 -11.065 796 HB3 TYR 31 HB1 TYR 31 13.056 2.872 -10.913 797 HD1 TYR 31 HD1 TYR 31 13.607 0.453 -10.507 798 HD2 TYR 31 HD2 TYR 31 16.548 3.520 -10.297 799 HE1 TYR 31 HE1 TYR 31 15.078 -1.053 -9.236 800 HE2 TYR 31 HE2 TYR 31 18.027 2.023 -9.028 801 HH TYR 31 HH TYR 31 17.861 0.043 -7.613 802 H THR 32 HN THR 32 11.831 2.137 -13.726 803 HA THR 32 HA THR 32 11.370 4.532 -15.243 804 HB THR 32 HB THR 32 9.407 2.324 -14.587 805 HG1 THR 32 HG1 THR 32 11.651 2.242 -16.036 806 HG21 THR 32 HG21 THR 32 9.495 4.331 -16.848 807 HG22 THR 32 HG22 THR 32 8.374 4.357 -15.486 808 HG23 THR 32 HG23 THR 32 8.305 3.043 -16.661 809 H VAL 33 HN VAL 33 10.792 6.379 -14.291 810 HA VAL 33 HA VAL 33 9.683 6.378 -11.633 811 HB VAL 33 HB VAL 33 10.170 8.737 -13.461 812 HG11 VAL 33 HG11 VAL 33 9.820 8.579 -10.469 813 HG12 VAL 33 HG12 VAL 33 8.658 9.237 -11.622 814 HG13 VAL 33 HG13 VAL 33 10.212 10.036 -11.383 815 HG21 VAL 33 HG21 VAL 33 11.981 7.520 -11.377 816 HG22 VAL 33 HG22 VAL 33 12.284 9.023 -12.247 817 HG23 VAL 33 HG23 VAL 33 12.235 7.493 -13.122 818 H GLU 34 HN GLU 34 7.618 5.983 -11.352 819 HA GLU 34 HA GLU 34 5.672 6.798 -13.385 820 HB2 GLU 34 HB2 GLU 34 5.696 4.434 -12.631 821 HB3 GLU 34 HB1 GLU 34 5.349 4.968 -10.994 822 HG2 GLU 34 HG2 GLU 34 3.187 5.756 -11.636 823 HG3 GLU 34 HG1 GLU 34 3.536 5.470 -13.340 824 H ILE 35 HN ILE 35 5.056 8.842 -13.062 825 HA ILE 35 HA ILE 35 4.870 9.982 -10.411 826 HB ILE 35 HB ILE 35 4.109 11.167 -13.090 827 HG12 ILE 35 HG12 ILE 35 6.503 10.595 -12.948 828 HG13 ILE 35 HG11 ILE 35 6.252 12.336 -12.994 829 HG21 ILE 35 HG21 ILE 35 2.978 12.284 -11.253 830 HG22 ILE 35 HG22 ILE 35 4.221 13.329 -11.942 831 HG23 ILE 35 HG23 ILE 35 4.517 12.497 -10.415 832 HD11 ILE 35 HD11 ILE 35 6.850 10.702 -10.536 833 HD12 ILE 35 HD12 ILE 35 6.600 12.447 -10.579 834 HD13 ILE 35 HD13 ILE 35 7.986 11.735 -11.406 835 H VAL 36 HN VAL 36 3.093 9.947 -9.165 836 HA VAL 36 HA VAL 36 0.484 9.597 -10.495 837 HB VAL 36 HB VAL 36 1.286 8.375 -7.847 838 HG11 VAL 36 HG11 VAL 36 -1.065 8.996 -7.918 839 HG12 VAL 36 HG12 VAL 36 -0.886 7.242 -7.973 840 HG13 VAL 36 HG13 VAL 36 -1.262 8.137 -9.445 841 HG21 VAL 36 HG21 VAL 36 2.360 7.235 -9.717 842 HG22 VAL 36 HG22 VAL 36 0.799 7.064 -10.521 843 HG23 VAL 36 HG23 VAL 36 1.106 6.223 -9.002 844 H HIS 37 HN HIS 37 -0.819 11.238 -10.151 845 HA HIS 37 HA HIS 37 -0.288 13.101 -7.969 846 HB2 HIS 37 HB2 HIS 37 -0.720 13.754 -10.437 847 HB3 HIS 37 HB1 HIS 37 -2.409 13.405 -10.092 848 HD2 HIS 37 HD2 HIS 37 0.054 16.242 -9.874 849 HE1 HIS 37 HE1 HIS 37 -3.229 17.304 -7.431 850 HE2 HIS 37 HE2 HIS 37 -1.221 18.180 -8.712 851 H LEU 38 HN LEU 38 -1.140 12.287 -6.103 852 HA LEU 38 HA LEU 38 -3.669 10.891 -6.115 853 HB2 LEU 38 HB2 LEU 38 -1.825 11.673 -3.863 854 HB3 LEU 38 HB1 LEU 38 -3.315 10.777 -3.637 855 HG LEU 38 HG LEU 38 -0.860 9.863 -5.134 856 HD11 LEU 38 HD11 LEU 38 -0.696 9.725 -2.707 857 HD12 LEU 38 HD12 LEU 38 -0.805 8.118 -3.427 858 HD13 LEU 38 HD13 LEU 38 -2.217 8.833 -2.646 859 HD21 LEU 38 HD21 LEU 38 -2.064 7.772 -5.521 860 HD22 LEU 38 HD22 LEU 38 -2.867 9.128 -6.312 861 HD23 LEU 38 HD23 LEU 38 -3.518 8.473 -4.809 862 H GLY 39 HN GLY 39 -2.889 14.076 -6.203 863 HA2 GLY 39 HA2 GLY 39 -5.032 15.018 -4.486 864 HA3 GLY 39 HA1 GLY 39 -4.018 16.005 -5.533 865 H THR 40 HN THR 40 -4.902 13.533 -7.410 866 HA THR 40 HA THR 40 -7.323 14.908 -8.370 867 HB THR 40 HB THR 40 -5.359 13.396 -10.101 868 HG1 THR 40 HG1 THR 40 -4.282 15.220 -9.368 869 HG21 THR 40 HG21 THR 40 -7.596 15.316 -10.764 870 HG22 THR 40 HG22 THR 40 -7.624 13.569 -11.005 871 HG23 THR 40 HG23 THR 40 -6.505 14.567 -11.930 872 H ASP 41 HN ASP 41 -5.628 11.757 -8.470 873 HA ASP 41 HA ASP 41 -8.197 10.456 -8.982 874 HB2 ASP 41 HB2 ASP 41 -6.283 9.909 -10.447 875 HB3 ASP 41 HB1 ASP 41 -5.402 9.302 -9.048 876 H LYS 42 HN LYS 42 -9.303 9.549 -7.395 877 HA LYS 42 HA LYS 42 -8.038 9.157 -4.803 878 HB2 LYS 42 HB2 LYS 42 -10.897 9.104 -5.726 879 HB3 LYS 42 HB1 LYS 42 -10.434 8.544 -4.127 880 HG2 LYS 42 HG2 LYS 42 -9.402 10.796 -3.742 881 HG3 LYS 42 HG1 LYS 42 -10.149 11.314 -5.257 882 HD2 LYS 42 HD2 LYS 42 -12.341 10.858 -4.403 883 HD3 LYS 42 HD1 LYS 42 -11.672 10.119 -2.947 884 HE2 LYS 42 HE2 LYS 42 -10.669 12.315 -2.364 885 HE3 LYS 42 HE1 LYS 42 -11.497 13.018 -3.754 886 HZ1 LYS 42 HZ1 LYS 42 -13.609 12.406 -2.788 887 HZ2 LYS 42 HZ2 LYS 42 -12.726 13.343 -1.681 888 HZ3 LYS 42 HZ3 LYS 42 -12.835 11.664 -1.473 889 H ALA 43 HN ALA 43 -8.941 7.293 -7.517 890 HA ALA 43 HA ALA 43 -9.557 4.836 -6.287 891 HB1 ALA 43 HB1 ALA 43 -9.094 3.827 -8.456 892 HB2 ALA 43 HB2 ALA 43 -8.305 5.311 -8.991 893 HB3 ALA 43 HB3 ALA 43 -10.033 5.308 -8.643 894 H ARG 44 HN ARG 44 -6.497 6.112 -7.559 895 HA ARG 44 HA ARG 44 -4.935 3.864 -6.805 896 HB2 ARG 44 HB2 ARG 44 -4.268 5.508 -8.533 897 HB3 ARG 44 HB1 ARG 44 -4.060 6.721 -7.279 898 HG2 ARG 44 HG2 ARG 44 -1.915 6.085 -7.381 899 HG3 ARG 44 HG1 ARG 44 -2.455 4.781 -6.327 900 HD2 ARG 44 HD2 ARG 44 -2.389 4.568 -9.330 901 HD3 ARG 44 HD1 ARG 44 -1.043 4.095 -8.299 902 HE ARG 44 HE ARG 44 -3.705 2.841 -8.018 903 HH11 ARG 44 HH11 ARG 44 -0.233 2.625 -8.510 904 HH12 ARG 44 HH12 ARG 44 -0.207 0.886 -8.441 905 HH21 ARG 44 HH21 ARG 44 -3.671 0.558 -7.971 906 HH22 ARG 44 HH22 ARG 44 -2.162 -0.292 -8.120 907 H ILE 45 HN ILE 45 -6.031 6.692 -5.081 908 HA ILE 45 HA ILE 45 -4.175 6.784 -2.990 909 HB ILE 45 HB ILE 45 -7.128 7.435 -2.930 910 HG12 ILE 45 HG12 ILE 45 -4.677 9.192 -3.192 911 HG13 ILE 45 HG11 ILE 45 -5.828 8.821 -4.473 912 HG21 ILE 45 HG21 ILE 45 -4.998 8.084 -0.894 913 HG22 ILE 45 HG22 ILE 45 -6.354 6.978 -0.673 914 HG23 ILE 45 HG23 ILE 45 -6.648 8.705 -0.883 915 HD11 ILE 45 HD11 ILE 45 -6.437 10.341 -1.946 916 HD12 ILE 45 HD12 ILE 45 -7.581 9.981 -3.240 917 HD13 ILE 45 HD13 ILE 45 -6.204 11.038 -3.551 918 H ALA 46 HN ALA 46 -7.304 5.086 -3.110 919 HA ALA 46 HA ALA 46 -7.104 3.886 -0.583 920 HB1 ALA 46 HB1 ALA 46 -8.891 2.410 -1.332 921 HB2 ALA 46 HB2 ALA 46 -8.616 2.905 -3.001 922 HB3 ALA 46 HB3 ALA 46 -9.206 4.075 -1.820 923 H GLU 47 HN GLU 47 -5.988 2.871 -3.749 924 HA GLU 47 HA GLU 47 -5.217 0.244 -3.037 925 HB2 GLU 47 HB2 GLU 47 -4.061 2.026 -5.188 926 HB3 GLU 47 HB1 GLU 47 -3.903 0.278 -5.092 927 HG2 GLU 47 HG2 GLU 47 -6.330 0.057 -5.366 928 HG3 GLU 47 HG1 GLU 47 -6.457 1.812 -5.512 929 H ALA 48 HN ALA 48 -3.541 3.350 -3.062 930 HA ALA 48 HA ALA 48 -0.983 2.383 -2.368 931 HB1 ALA 48 HB1 ALA 48 -1.345 4.605 -3.321 932 HB2 ALA 48 HB2 ALA 48 -0.464 4.697 -1.795 933 HB3 ALA 48 HB3 ALA 48 -2.179 5.103 -1.849 934 H GLU 49 HN GLU 49 -3.738 3.462 -0.433 935 HA GLU 49 HA GLU 49 -2.593 3.421 2.101 936 HB2 GLU 49 HB2 GLU 49 -5.393 2.611 1.285 937 HB3 GLU 49 HB1 GLU 49 -4.884 2.914 2.939 938 HG2 GLU 49 HG2 GLU 49 -4.355 5.237 2.326 939 HG3 GLU 49 HG1 GLU 49 -4.942 4.918 0.693 940 H LYS 50 HN LYS 50 -3.936 0.777 0.179 941 HA LYS 50 HA LYS 50 -3.485 -1.165 2.267 942 HB2 LYS 50 HB2 LYS 50 -4.263 -1.586 -0.623 943 HB3 LYS 50 HB1 LYS 50 -4.307 -2.804 0.643 944 HG2 LYS 50 HG2 LYS 50 -6.012 -0.337 0.427 945 HG3 LYS 50 HG1 LYS 50 -6.525 -2.017 0.267 946 HD2 LYS 50 HD2 LYS 50 -5.811 -2.373 2.638 947 HD3 LYS 50 HD1 LYS 50 -5.531 -0.634 2.755 948 HE2 LYS 50 HE2 LYS 50 -8.141 -2.038 2.216 949 HE3 LYS 50 HE1 LYS 50 -7.701 -1.118 3.652 950 HZ1 LYS 50 HZ1 LYS 50 -9.127 0.164 2.199 951 HZ2 LYS 50 HZ2 LYS 50 -8.041 -0.016 0.911 952 HZ3 LYS 50 HZ3 LYS 50 -7.594 0.880 2.279 953 H ALA 51 HN ALA 51 -1.675 0.160 -0.313 954 HA ALA 51 HA ALA 51 0.067 -2.089 -0.695 955 HB1 ALA 51 HB1 ALA 51 1.394 -0.580 -2.074 956 HB2 ALA 51 HB2 ALA 51 0.443 0.791 -1.506 957 HB3 ALA 51 HB3 ALA 51 -0.317 -0.463 -2.485 958 H GLY 52 HN GLY 52 0.007 0.748 1.340 959 HA2 GLY 52 HA2 GLY 52 1.256 0.374 3.478 960 HA3 GLY 52 HA1 GLY 52 2.615 -0.078 2.461 961 H VAL 53 HN VAL 53 0.954 2.381 0.971 962 HA VAL 53 HA VAL 53 3.005 4.303 1.598 963 HB VAL 53 HB VAL 53 0.487 4.671 -0.042 964 HG11 VAL 53 HG11 VAL 53 3.024 6.298 0.071 965 HG12 VAL 53 HG12 VAL 53 1.449 6.782 0.696 966 HG13 VAL 53 HG13 VAL 53 1.679 6.565 -1.039 967 HG21 VAL 53 HG21 VAL 53 1.868 2.885 -0.951 968 HG22 VAL 53 HG22 VAL 53 3.279 3.943 -0.921 969 HG23 VAL 53 HG23 VAL 53 1.927 4.307 -1.993 970 H LYS 54 HN LYS 54 2.941 5.438 3.414 971 HA LYS 54 HA LYS 54 0.421 5.726 4.837 972 HB2 LYS 54 HB2 LYS 54 3.260 6.358 5.655 973 HB3 LYS 54 HB1 LYS 54 1.858 6.537 6.699 974 HG2 LYS 54 HG2 LYS 54 1.450 4.169 6.647 975 HG3 LYS 54 HG1 LYS 54 2.732 3.937 5.457 976 HD2 LYS 54 HD2 LYS 54 4.381 4.726 7.089 977 HD3 LYS 54 HD1 LYS 54 3.095 4.952 8.278 978 HE2 LYS 54 HE2 LYS 54 3.703 2.306 6.974 979 HE3 LYS 54 HE1 LYS 54 4.433 2.824 8.492 980 HZ1 LYS 54 HZ1 LYS 54 1.494 2.668 8.085 981 HZ2 LYS 54 HZ2 LYS 54 2.336 2.844 9.548 982 HZ3 LYS 54 HZ3 LYS 54 2.419 1.381 8.695 983 H SER 55 HN SER 55 2.650 7.672 3.010 984 HA SER 55 HA SER 55 0.865 9.948 3.338 985 HB2 SER 55 HB2 SER 55 3.825 10.120 3.964 986 HB3 SER 55 HB1 SER 55 2.708 11.484 3.905 987 HG SER 55 HG SER 55 1.793 9.500 5.517 988 H VAL 56 HN VAL 56 1.084 11.552 1.718 989 HA VAL 56 HA VAL 56 2.399 10.732 -0.711 990 HB VAL 56 HB VAL 56 1.643 12.996 -1.570 991 HG11 VAL 56 HG11 VAL 56 0.405 10.959 -2.014 992 HG12 VAL 56 HG12 VAL 56 -0.704 12.302 -1.744 993 HG13 VAL 56 HG13 VAL 56 -0.436 11.110 -0.472 994 HG21 VAL 56 HG21 VAL 56 0.193 13.052 1.072 995 HG22 VAL 56 HG22 VAL 56 -0.093 14.146 -0.282 996 HG23 VAL 56 HG23 VAL 56 1.461 14.163 0.553 997 HA PRO 57 HA PRO 57 5.524 13.042 -2.319 998 HB2 PRO 57 HB2 PRO 57 6.082 14.398 0.310 999 HB3 PRO 57 HB1 PRO 57 6.757 14.760 -1.291 1000 HG2 PRO 57 HG2 PRO 57 4.435 15.919 -0.244 1001 HG3 PRO 57 HG1 PRO 57 4.871 15.876 -1.960 1002 HD2 PRO 57 HD2 PRO 57 2.632 14.607 -0.801 1003 HD3 PRO 57 HD1 PRO 57 3.307 14.238 -2.408 1004 H ALA 58 HN ALA 58 5.562 10.795 -2.226 1005 HA ALA 58 HA ALA 58 7.726 9.770 -0.562 1006 HB1 ALA 58 HB1 ALA 58 6.498 7.725 -0.040 1007 HB2 ALA 58 HB2 ALA 58 5.068 8.372 -0.844 1008 HB3 ALA 58 HB3 ALA 58 5.677 9.138 0.624 1009 H LEU 59 HN LEU 59 8.866 8.058 -1.551 1010 HA LEU 59 HA LEU 59 8.142 7.597 -4.373 1011 HB2 LEU 59 HB2 LEU 59 10.284 8.993 -3.627 1012 HB3 LEU 59 HB1 LEU 59 10.969 7.390 -3.449 1013 HG LEU 59 HG LEU 59 9.781 8.489 -6.001 1014 HD11 LEU 59 HD11 LEU 59 11.830 9.647 -5.398 1015 HD12 LEU 59 HD12 LEU 59 12.095 8.592 -6.785 1016 HD13 LEU 59 HD13 LEU 59 12.657 8.104 -5.186 1017 HD21 LEU 59 HD21 LEU 59 9.604 6.057 -5.839 1018 HD22 LEU 59 HD22 LEU 59 11.328 5.951 -5.483 1019 HD23 LEU 59 HD23 LEU 59 10.786 6.534 -7.057 1020 H VAL 60 HN VAL 60 7.442 5.586 -4.592 1021 HA VAL 60 HA VAL 60 8.375 3.492 -2.786 1022 HB VAL 60 HB VAL 60 6.286 3.334 -4.969 1023 HG11 VAL 60 HG11 VAL 60 5.564 1.292 -3.818 1024 HG12 VAL 60 HG12 VAL 60 6.909 1.459 -2.688 1025 HG13 VAL 60 HG13 VAL 60 7.225 1.162 -4.397 1026 HG21 VAL 60 HG21 VAL 60 5.943 3.741 -2.000 1027 HG22 VAL 60 HG22 VAL 60 4.640 3.478 -3.158 1028 HG23 VAL 60 HG23 VAL 60 5.629 4.935 -3.259 1029 H ILE 61 HN ILE 61 10.326 2.753 -3.374 1030 HA ILE 61 HA ILE 61 10.962 2.394 -6.195 1031 HB ILE 61 HB ILE 61 12.720 1.916 -3.780 1032 HG12 ILE 61 HG12 ILE 61 12.607 4.292 -5.656 1033 HG13 ILE 61 HG11 ILE 61 12.024 4.279 -3.996 1034 HG21 ILE 61 HG21 ILE 61 14.561 1.966 -5.403 1035 HG22 ILE 61 HG22 ILE 61 13.394 2.126 -6.715 1036 HG23 ILE 61 HG23 ILE 61 13.428 0.657 -5.742 1037 HD11 ILE 61 HD11 ILE 61 14.191 5.353 -4.157 1038 HD12 ILE 61 HD12 ILE 61 14.877 3.893 -4.870 1039 HD13 ILE 61 HD13 ILE 61 14.297 3.874 -3.204 1040 H ASP 62 HN ASP 62 9.778 0.674 -6.832 1041 HA ASP 62 HA ASP 62 9.118 -1.480 -7.119 1042 HB2 ASP 62 HB2 ASP 62 11.417 -1.515 -7.992 1043 HB3 ASP 62 HB1 ASP 62 12.011 -1.983 -6.401 1044 H GLY 63 HN GLY 63 7.749 -1.320 -5.180 1045 HA2 GLY 63 HA2 GLY 63 6.783 -2.802 -3.648 1046 HA3 GLY 63 HA1 GLY 63 8.328 -3.619 -3.497 1047 H ALA 64 HN ALA 64 9.888 -1.274 -2.886 1048 HA ALA 64 HA ALA 64 9.094 -1.064 -0.076 1049 HB1 ALA 64 HB1 ALA 64 11.357 -1.849 -0.577 1050 HB2 ALA 64 HB2 ALA 64 11.382 -0.336 0.330 1051 HB3 ALA 64 HB3 ALA 64 11.699 -0.331 -1.405 1052 H ALA 65 HN ALA 65 8.217 0.722 0.734 1053 HA ALA 65 HA ALA 65 8.040 3.080 -0.973 1054 HB1 ALA 65 HB1 ALA 65 6.318 3.837 0.574 1055 HB2 ALA 65 HB2 ALA 65 6.654 2.470 1.635 1056 HB3 ALA 65 HB3 ALA 65 5.989 2.194 0.025 1057 H PHE 66 HN PHE 66 9.462 4.667 -0.773 1058 HA PHE 66 HA PHE 66 10.577 5.222 1.896 1059 HB2 PHE 66 HB2 PHE 66 11.818 5.723 -0.819 1060 HB3 PHE 66 HB1 PHE 66 12.519 6.225 0.716 1061 HD1 PHE 66 HD2 PHE 66 13.163 4.446 2.383 1062 HD2 PHE 66 HD1 PHE 66 12.168 3.570 -1.660 1063 HE1 PHE 66 HE2 PHE 66 14.291 2.269 2.582 1064 HE2 PHE 66 HE1 PHE 66 13.293 1.392 -1.469 1065 HZ PHE 66 HZ PHE 66 14.358 0.738 0.654 1066 H HIS 67 HN HIS 67 9.342 6.808 2.688 1067 HA HIS 67 HA HIS 67 8.101 8.819 1.115 1068 HB2 HIS 67 HB2 HIS 67 8.648 8.731 4.095 1069 HB3 HIS 67 HB1 HIS 67 7.596 9.896 3.299 1070 HD1 HIS 67 HD1 HIS 67 7.774 6.223 4.193 1071 HD2 HIS 67 HD2 HIS 67 5.062 9.011 2.716 1072 HE1 HIS 67 HE1 HIS 67 5.507 5.099 4.221 1073 H ILE 68 HN ILE 68 8.875 10.709 0.395 1074 HA ILE 68 HA ILE 68 11.629 11.409 1.105 1075 HB ILE 68 HB ILE 68 9.937 12.434 -1.187 1076 HG12 ILE 68 HG12 ILE 68 10.436 10.052 -1.455 1077 HG13 ILE 68 HG11 ILE 68 11.346 11.008 -2.618 1078 HG21 ILE 68 HG21 ILE 68 11.644 14.022 -0.508 1079 HG22 ILE 68 HG22 ILE 68 12.052 13.308 -2.068 1080 HG23 ILE 68 HG23 ILE 68 12.877 12.765 -0.607 1081 HD11 ILE 68 HD11 ILE 68 12.423 9.843 -0.059 1082 HD12 ILE 68 HD12 ILE 68 13.339 10.806 -1.218 1083 HD13 ILE 68 HD13 ILE 68 12.705 9.229 -1.687 1084 H ASN 69 HN ASN 69 11.450 12.525 2.957 1085 HA ASN 69 HA ASN 69 10.926 14.141 4.459 1086 HB2 ASN 69 HB2 ASN 69 9.780 15.510 2.020 1087 HB3 ASN 69 HB1 ASN 69 9.640 16.202 3.632 1088 HD21 ASN 69 HD21 ASN 69 11.054 17.124 1.213 1089 HD22 ASN 69 HD22 ASN 69 12.690 17.373 1.710 1090 H PHE 70 HN PHE 70 8.876 15.171 5.485 1091 HA PHE 70 HA PHE 70 6.770 13.170 5.297 1092 HB2 PHE 70 HB2 PHE 70 7.652 13.927 7.535 1093 HB3 PHE 70 HB1 PHE 70 6.945 15.507 7.214 1094 HD1 PHE 70 HD1 PHE 70 6.123 11.917 7.610 1095 HD2 PHE 70 HD2 PHE 70 4.687 15.923 7.681 1096 HE1 PHE 70 HE1 PHE 70 3.982 11.129 8.531 1097 HE2 PHE 70 HE2 PHE 70 2.544 15.142 8.603 1098 HZ PHE 70 HZ PHE 70 2.190 12.742 9.028 1099 H GLY 71 HN GLY 71 5.779 13.651 3.359 1100 HA2 GLY 71 HA2 GLY 71 5.037 16.302 2.633 1101 HA3 GLY 71 HA1 GLY 71 4.496 14.817 1.859 1102 H ALA 72 HN ALA 72 2.579 13.875 2.462 1103 HA ALA 72 HA ALA 72 1.129 15.176 4.665 1104 HB1 ALA 72 HB1 ALA 72 -0.890 15.534 3.376 1105 HB2 ALA 72 HB2 ALA 72 -0.102 14.909 1.928 1106 HB3 ALA 72 HB3 ALA 72 0.459 16.412 2.658 1107 H GLY 73 HN GLY 73 0.001 13.781 5.890 1108 HA2 GLY 73 HA2 GLY 73 0.147 11.018 5.552 1109 HA3 GLY 73 HA1 GLY 73 -1.034 11.840 6.566 1110 H ILE 74 HN ILE 74 -0.932 9.581 4.331 1111 HA ILE 74 HA ILE 74 -2.644 10.521 2.273 1112 HB ILE 74 HB ILE 74 -1.129 8.512 2.112 1113 HG12 ILE 74 HG12 ILE 74 -4.020 7.994 1.387 1114 HG13 ILE 74 HG11 ILE 74 -2.931 9.027 0.468 1115 HG21 ILE 74 HG21 ILE 74 -1.996 6.351 2.875 1116 HG22 ILE 74 HG22 ILE 74 -3.343 7.174 3.662 1117 HG23 ILE 74 HG23 ILE 74 -1.694 7.447 4.223 1118 HD11 ILE 74 HD11 ILE 74 -3.132 6.844 -0.557 1119 HD12 ILE 74 HD12 ILE 74 -2.595 6.075 0.937 1120 HD13 ILE 74 HD13 ILE 74 -1.489 7.105 0.028 1121 H ASP 75 HN ASP 75 -3.180 9.331 5.447 1122 HA ASP 75 HA ASP 75 -5.960 8.713 5.121 1123 HB2 ASP 75 HB2 ASP 75 -4.566 7.668 6.873 1124 HB3 ASP 75 HB1 ASP 75 -4.347 9.242 7.630 1125 H ASP 76 HN ASP 76 -4.040 11.479 6.005 1126 HA ASP 76 HA ASP 76 -6.145 13.112 6.999 1127 HB2 ASP 76 HB2 ASP 76 -3.418 13.825 5.898 1128 HB3 ASP 76 HB1 ASP 76 -4.506 14.977 6.661 1129 H LEU 77 HN LEU 77 -5.107 12.221 3.863 1130 HA LEU 77 HA LEU 77 -5.899 14.544 2.440 1131 HB2 LEU 77 HB2 LEU 77 -5.568 11.701 1.488 1132 HB3 LEU 77 HB1 LEU 77 -5.768 13.092 0.441 1133 HG LEU 77 HG LEU 77 -3.440 12.603 2.301 1134 HD11 LEU 77 HD11 LEU 77 -3.435 11.132 0.362 1135 HD12 LEU 77 HD12 LEU 77 -2.159 12.342 0.237 1136 HD13 LEU 77 HD13 LEU 77 -3.638 12.521 -0.705 1137 HD21 LEU 77 HD21 LEU 77 -3.941 14.839 0.339 1138 HD22 LEU 77 HD22 LEU 77 -2.448 14.572 1.237 1139 HD23 LEU 77 HD23 LEU 77 -3.933 14.980 2.097 1140 H LYS 78 HN LYS 78 -7.689 11.998 3.842 1141 HA LYS 78 HA LYS 78 -9.906 11.977 2.071 1142 HB2 LYS 78 HB2 LYS 78 -9.878 11.328 5.025 1143 HB3 LYS 78 HB1 LYS 78 -11.107 10.846 3.862 1144 HG2 LYS 78 HG2 LYS 78 -9.400 9.513 2.669 1145 HG3 LYS 78 HG1 LYS 78 -8.236 9.937 3.928 1146 HD2 LYS 78 HD2 LYS 78 -9.809 8.932 5.598 1147 HD3 LYS 78 HD1 LYS 78 -10.786 8.359 4.244 1148 HE2 LYS 78 HE2 LYS 78 -7.913 7.642 4.817 1149 HE3 LYS 78 HE1 LYS 78 -9.316 6.599 5.037 1150 HZ1 LYS 78 HZ1 LYS 78 -9.692 6.631 2.664 1151 HZ2 LYS 78 HZ2 LYS 78 -8.108 6.119 2.981 1152 HZ3 LYS 78 HZ3 LYS 78 -8.399 7.693 2.435 1153 H GLY 79 HN GLY 79 -9.117 13.802 4.983 1154 HA2 GLY 79 HA2 GLY 79 -9.804 15.924 5.580 1155 HA3 GLY 79 HA1 GLY 79 -10.774 15.981 4.117 1156 H SER 80 HN SER 80 -10.710 14.283 7.243 1157 HA SER 80 HA SER 80 -13.400 15.172 7.787 1158 HB2 SER 80 HB2 SER 80 -12.750 12.220 7.560 1159 HB3 SER 80 HB1 SER 80 -14.244 12.875 8.231 1160 HG SER 80 HG SER 80 -13.650 13.905 5.772 Start of MODEL 8 1 H1 VAL 1 HT1 VAL 1 29.855 16.593 -15.342 2 H2 VAL 1 HT2 VAL 1 30.606 18.004 -15.891 3 H3 VAL 1 HT3 VAL 1 28.916 17.953 -15.733 4 HA VAL 1 HA VAL 1 30.914 17.837 -13.547 5 HB VAL 1 HB VAL 1 28.785 19.912 -14.103 6 HG11 VAL 1 HG11 VAL 1 31.067 19.868 -12.131 7 HG12 VAL 1 HG12 VAL 1 29.355 19.684 -11.749 8 HG13 VAL 1 HG13 VAL 1 29.957 21.213 -12.389 9 HG21 VAL 1 HG21 VAL 1 30.632 21.399 -14.745 10 HG22 VAL 1 HG22 VAL 1 30.482 20.019 -15.834 11 HG23 VAL 1 HG23 VAL 1 31.755 20.046 -14.612 12 H ALA 2 HN ALA 2 30.276 16.820 -11.780 13 HA ALA 2 HA ALA 2 27.387 16.424 -11.336 14 HB1 ALA 2 HB1 ALA 2 28.442 14.327 -12.041 15 HB2 ALA 2 HB2 ALA 2 27.886 14.240 -10.369 16 HB3 ALA 2 HB3 ALA 2 29.599 14.467 -10.717 17 H SER 3 HN SER 3 26.673 17.178 -9.448 18 HA SER 3 HA SER 3 28.571 18.292 -7.578 19 HB2 SER 3 HB2 SER 3 26.445 19.089 -6.445 20 HB3 SER 3 HB1 SER 3 26.707 19.669 -8.090 21 HG SER 3 HG SER 3 24.605 18.411 -7.155 22 H LYS 4 HN LYS 4 26.894 17.935 -5.187 23 HA LYS 4 HA LYS 4 27.642 15.128 -4.693 24 HB2 LYS 4 HB2 LYS 4 28.474 15.737 -2.504 25 HB3 LYS 4 HB1 LYS 4 29.295 16.679 -3.738 26 HG2 LYS 4 HG2 LYS 4 27.962 18.620 -3.209 27 HG3 LYS 4 HG1 LYS 4 27.003 17.683 -2.060 28 HD2 LYS 4 HD2 LYS 4 29.083 17.265 -0.758 29 HD3 LYS 4 HD1 LYS 4 29.941 18.344 -1.858 30 HE2 LYS 4 HE2 LYS 4 28.492 20.185 -1.217 31 HE3 LYS 4 HE1 LYS 4 27.565 19.114 -0.168 32 HZ1 LYS 4 HZ1 LYS 4 29.658 18.731 1.096 33 HZ2 LYS 4 HZ2 LYS 4 29.086 20.325 1.175 34 HZ3 LYS 4 HZ3 LYS 4 30.397 19.946 0.168 35 H ALA 5 HN ALA 5 26.543 14.001 -3.085 36 HA ALA 5 HA ALA 5 24.072 15.220 -2.053 37 HB1 ALA 5 HB1 ALA 5 22.879 13.109 -2.444 38 HB2 ALA 5 HB2 ALA 5 24.312 12.448 -3.233 39 HB3 ALA 5 HB3 ALA 5 23.458 13.813 -3.954 40 H ILE 6 HN ILE 6 24.130 15.161 0.097 41 HA ILE 6 HA ILE 6 25.985 13.274 1.381 42 HB ILE 6 HB ILE 6 24.769 15.694 2.696 43 HG12 ILE 6 HG12 ILE 6 27.425 15.599 1.245 44 HG13 ILE 6 HG11 ILE 6 25.971 16.341 0.585 45 HG21 ILE 6 HG21 ILE 6 27.279 14.101 3.214 46 HG22 ILE 6 HG22 ILE 6 25.790 14.037 4.157 47 HG23 ILE 6 HG23 ILE 6 26.755 15.513 4.130 48 HD11 ILE 6 HD11 ILE 6 25.937 17.925 2.433 49 HD12 ILE 6 HD12 ILE 6 27.461 18.000 1.550 50 HD13 ILE 6 HD13 ILE 6 27.382 17.177 3.108 51 H PHE 7 HN PHE 7 25.124 11.584 2.366 52 HA PHE 7 HA PHE 7 22.307 11.675 3.164 53 HB2 PHE 7 HB2 PHE 7 23.068 9.803 1.721 54 HB3 PHE 7 HB1 PHE 7 24.188 9.308 2.985 55 HD1 PHE 7 HD2 PHE 7 20.556 10.023 2.525 56 HD2 PHE 7 HD1 PHE 7 23.529 7.640 4.415 57 HE1 PHE 7 HE2 PHE 7 18.795 8.627 3.523 58 HE2 PHE 7 HE1 PHE 7 21.773 6.237 5.417 59 HZ PHE 7 HZ PHE 7 19.402 6.731 4.971 60 H TYR 8 HN TYR 8 21.909 12.257 5.174 61 HA TYR 8 HA TYR 8 23.886 11.689 7.268 62 HB2 TYR 8 HB2 TYR 8 21.543 13.594 7.159 63 HB3 TYR 8 HB1 TYR 8 22.459 13.279 8.626 64 HD1 TYR 8 HD1 TYR 8 24.819 13.992 8.784 65 HD2 TYR 8 HD2 TYR 8 22.396 15.027 5.445 66 HE1 TYR 8 HE1 TYR 8 26.419 15.756 8.181 67 HE2 TYR 8 HE2 TYR 8 23.995 16.791 4.826 68 HH TYR 8 HH TYR 8 25.725 18.145 5.831 69 H HIS 9 HN HIS 9 23.504 10.156 8.748 70 HA HIS 9 HA HIS 9 20.767 9.501 9.466 71 HB2 HIS 9 HB2 HIS 9 20.971 7.129 9.066 72 HB3 HIS 9 HB1 HIS 9 21.282 7.989 7.566 73 HD2 HIS 9 HD2 HIS 9 23.966 7.918 6.687 74 HE1 HIS 9 HE1 HIS 9 24.993 4.744 9.286 75 HE2 HIS 9 HE2 HIS 9 25.559 5.913 7.112 76 H ALA 10 HN ALA 10 20.960 7.539 11.176 77 HA ALA 10 HA ALA 10 23.105 8.356 13.023 78 HB1 ALA 10 HB1 ALA 10 21.530 8.150 14.869 79 HB2 ALA 10 HB2 ALA 10 20.246 7.720 13.738 80 HB3 ALA 10 HB3 ALA 10 20.966 9.328 13.685 81 H GLY 11 HN GLY 11 22.393 5.902 11.162 82 HA2 GLY 11 HA2 GLY 11 23.314 3.749 11.312 83 HA3 GLY 11 HA1 GLY 11 23.441 3.946 13.053 84 H CYS 12 HN CYS 12 20.514 4.925 12.842 85 HA CYS 12 HA CYS 12 19.224 2.614 13.693 86 HB2 CYS 12 HB2 CYS 12 18.354 4.825 14.179 87 HB3 CYS 12 HB1 CYS 12 18.087 5.135 12.469 88 HG CYS 12 HG CYS 12 16.056 3.816 14.668 89 HA PRO 13 HA PRO 13 18.720 0.026 10.183 90 HB2 PRO 13 HB2 PRO 13 15.975 -0.375 11.289 91 HB3 PRO 13 HB1 PRO 13 17.173 -1.573 10.781 92 HG2 PRO 13 HG2 PRO 13 16.781 -1.070 13.361 93 HG3 PRO 13 HG1 PRO 13 18.415 -1.346 12.729 94 HD2 PRO 13 HD2 PRO 13 17.110 1.192 13.568 95 HD3 PRO 13 HD1 PRO 13 18.811 0.703 13.686 96 H VAL 14 HN VAL 14 16.337 2.501 10.856 97 HA VAL 14 HA VAL 14 14.757 2.299 8.557 98 HB VAL 14 HB VAL 14 15.491 4.825 10.052 99 HG11 VAL 14 HG11 VAL 14 14.468 5.273 7.881 100 HG12 VAL 14 HG12 VAL 14 13.376 5.702 9.199 101 HG13 VAL 14 HG13 VAL 14 13.119 4.212 8.291 102 HG21 VAL 14 HG21 VAL 14 13.416 4.441 11.311 103 HG22 VAL 14 HG22 VAL 14 14.591 3.150 11.563 104 HG23 VAL 14 HG23 VAL 14 13.215 2.893 10.489 105 H CYS 15 HN CYS 15 17.925 3.760 9.057 106 HA CYS 15 HA CYS 15 17.886 5.165 6.546 107 HB2 CYS 15 HB2 CYS 15 20.176 5.771 7.026 108 HB3 CYS 15 HB1 CYS 15 19.207 5.976 8.479 109 HG CYS 15 HG CYS 15 21.986 4.810 8.642 110 H VAL 16 HN VAL 16 18.848 2.029 7.660 111 HA VAL 16 HA VAL 16 20.616 1.300 5.602 112 HB VAL 16 HB VAL 16 18.689 -0.507 7.083 113 HG11 VAL 16 HG11 VAL 16 20.304 -2.278 6.576 114 HG12 VAL 16 HG12 VAL 16 21.268 -1.131 5.646 115 HG13 VAL 16 HG13 VAL 16 19.644 -1.559 5.107 116 HG21 VAL 16 HG21 VAL 16 20.048 0.759 8.646 117 HG22 VAL 16 HG22 VAL 16 21.513 0.300 7.776 118 HG23 VAL 16 HG23 VAL 16 20.564 -0.928 8.616 119 H SER 17 HN SER 17 17.111 0.883 5.925 120 HA SER 17 HA SER 17 16.580 -0.312 3.470 121 HB2 SER 17 HB2 SER 17 14.754 1.721 4.745 122 HB3 SER 17 HB1 SER 17 14.319 0.258 3.863 123 HG SER 17 HG SER 17 15.076 -0.974 5.596 124 H ALA 18 HN ALA 18 16.712 3.107 4.366 125 HA ALA 18 HA ALA 18 15.970 4.156 1.856 126 HB1 ALA 18 HB1 ALA 18 16.756 6.286 2.736 127 HB2 ALA 18 HB2 ALA 18 17.568 5.450 4.060 128 HB3 ALA 18 HB3 ALA 18 15.808 5.416 3.943 129 H GLU 19 HN GLU 19 19.133 3.527 3.324 130 HA GLU 19 HA GLU 19 20.669 4.768 1.310 131 HB2 GLU 19 HB2 GLU 19 21.525 4.229 3.567 132 HB3 GLU 19 HB1 GLU 19 21.463 2.517 3.167 133 HG2 GLU 19 HG2 GLU 19 23.047 3.003 1.283 134 HG3 GLU 19 HG1 GLU 19 23.229 4.624 1.955 135 H GLN 20 HN GLN 20 19.929 1.324 1.878 136 HA GLN 20 HA GLN 20 21.388 0.446 -0.384 137 HB2 GLN 20 HB2 GLN 20 19.222 -0.980 1.164 138 HB3 GLN 20 HB1 GLN 20 20.326 -1.735 0.021 139 HG2 GLN 20 HG2 GLN 20 22.219 -1.057 1.454 140 HG3 GLN 20 HG1 GLN 20 21.067 -0.413 2.622 141 HE21 GLN 20 HE21 GLN 20 23.029 -2.509 2.987 142 HE22 GLN 20 HE22 GLN 20 22.147 -3.919 3.460 143 H ALA 21 HN ALA 21 18.186 1.693 -0.043 144 HA ALA 21 HA ALA 21 17.415 0.657 -2.662 145 HB1 ALA 21 HB1 ALA 21 15.766 0.595 -0.852 146 HB2 ALA 21 HB2 ALA 21 15.222 1.586 -2.206 147 HB3 ALA 21 HB3 ALA 21 15.832 2.354 -0.741 148 H VAL 22 HN VAL 22 17.369 3.882 -1.103 149 HA VAL 22 HA VAL 22 17.007 5.130 -3.680 150 HB VAL 22 HB VAL 22 17.433 6.512 -1.030 151 HG11 VAL 22 HG11 VAL 22 17.661 7.948 -2.988 152 HG12 VAL 22 HG12 VAL 22 16.199 8.345 -2.083 153 HG13 VAL 22 HG13 VAL 22 16.085 7.412 -3.574 154 HG21 VAL 22 HG21 VAL 22 14.842 5.592 -2.272 155 HG22 VAL 22 HG22 VAL 22 14.993 6.590 -0.825 156 HG23 VAL 22 HG23 VAL 22 15.589 4.930 -0.818 157 H ALA 23 HN ALA 23 19.512 5.270 -1.132 158 HA ALA 23 HA ALA 23 21.175 7.065 -2.569 159 HB1 ALA 23 HB1 ALA 23 21.300 6.822 -0.139 160 HB2 ALA 23 HB2 ALA 23 22.870 6.551 -0.897 161 HB3 ALA 23 HB3 ALA 23 21.914 5.179 -0.334 162 H ASN 24 HN ASN 24 20.816 3.621 -2.561 163 HA ASN 24 HA ASN 24 23.233 3.104 -4.039 164 HB2 ASN 24 HB2 ASN 24 22.315 1.423 -2.518 165 HB3 ASN 24 HB1 ASN 24 20.830 1.360 -3.456 166 HD21 ASN 24 HD21 ASN 24 21.053 -0.822 -3.809 167 HD22 ASN 24 HD22 ASN 24 22.223 -1.473 -4.907 168 H ALA 25 HN ALA 25 19.923 3.873 -4.751 169 HA ALA 25 HA ALA 25 19.923 3.050 -7.471 170 HB1 ALA 25 HB1 ALA 25 18.279 5.201 -6.136 171 HB2 ALA 25 HB2 ALA 25 17.842 3.496 -6.259 172 HB3 ALA 25 HB3 ALA 25 17.961 4.485 -7.715 173 H ILE 26 HN ILE 26 20.910 5.944 -5.769 174 HA ILE 26 HA ILE 26 21.493 7.415 -8.188 175 HB ILE 26 HB ILE 26 22.278 8.059 -5.339 176 HG12 ILE 26 HG12 ILE 26 19.907 9.072 -6.927 177 HG13 ILE 26 HG11 ILE 26 19.812 7.832 -5.681 178 HG21 ILE 26 HG21 ILE 26 22.497 10.361 -6.185 179 HG22 ILE 26 HG22 ILE 26 22.149 9.782 -7.814 180 HG23 ILE 26 HG23 ILE 26 23.611 9.251 -6.983 181 HD11 ILE 26 HD11 ILE 26 20.595 9.443 -4.022 182 HD12 ILE 26 HD12 ILE 26 19.121 9.990 -4.823 183 HD13 ILE 26 HD13 ILE 26 20.678 10.685 -5.272 184 H ASP 27 HN ASP 27 23.177 6.773 -9.374 185 HA ASP 27 HA ASP 27 25.369 5.299 -8.337 186 HB2 ASP 27 HB2 ASP 27 24.853 6.617 -10.994 187 HB3 ASP 27 HB1 ASP 27 26.386 5.826 -10.636 188 HA PRO 28 HA PRO 28 27.938 8.608 -6.888 189 HB2 PRO 28 HB2 PRO 28 30.300 7.257 -6.846 190 HB3 PRO 28 HB1 PRO 28 29.039 7.037 -5.628 191 HG2 PRO 28 HG2 PRO 28 29.677 5.358 -8.020 192 HG3 PRO 28 HG1 PRO 28 29.262 4.849 -6.374 193 HD2 PRO 28 HD2 PRO 28 27.465 4.827 -8.395 194 HD3 PRO 28 HD1 PRO 28 27.002 5.154 -6.714 195 H SER 29 HN SER 29 28.036 7.230 -9.939 196 HA SER 29 HA SER 29 30.161 8.974 -10.915 197 HB2 SER 29 HB2 SER 29 29.511 7.822 -13.134 198 HB3 SER 29 HB1 SER 29 30.286 6.830 -11.896 199 HG SER 29 HG SER 29 28.555 5.656 -11.805 200 H LYS 30 HN LYS 30 26.818 8.940 -10.441 201 HA LYS 30 HA LYS 30 26.308 10.951 -12.509 202 HB2 LYS 30 HB2 LYS 30 24.753 8.985 -12.188 203 HB3 LYS 30 HB1 LYS 30 24.336 9.650 -10.617 204 HG2 LYS 30 HG2 LYS 30 23.497 11.680 -11.720 205 HG3 LYS 30 HG1 LYS 30 23.871 10.961 -13.288 206 HD2 LYS 30 HD2 LYS 30 22.335 9.106 -12.785 207 HD3 LYS 30 HD1 LYS 30 21.942 9.862 -11.239 208 HE2 LYS 30 HE2 LYS 30 20.200 10.432 -12.748 209 HE3 LYS 30 HE1 LYS 30 21.188 11.879 -12.540 210 HZ1 LYS 30 HZ1 LYS 30 20.739 11.664 -14.834 211 HZ2 LYS 30 HZ2 LYS 30 21.158 10.021 -14.855 212 HZ3 LYS 30 HZ3 LYS 30 22.355 11.202 -14.633 213 H TYR 31 HN TYR 31 26.201 10.415 -9.028 214 HA TYR 31 HA TYR 31 26.628 13.275 -8.624 215 HB2 TYR 31 HB2 TYR 31 24.428 11.655 -7.347 216 HB3 TYR 31 HB1 TYR 31 25.076 13.097 -6.574 217 HD1 TYR 31 HD1 TYR 31 24.763 15.304 -7.607 218 HD2 TYR 31 HD2 TYR 31 22.985 11.814 -9.268 219 HE1 TYR 31 HE1 TYR 31 23.257 16.714 -8.942 220 HE2 TYR 31 HE2 TYR 31 21.474 13.216 -10.607 221 HH TYR 31 HH TYR 31 20.547 15.464 -10.607 222 H THR 32 HN THR 32 27.835 13.761 -6.781 223 HA THR 32 HA THR 32 29.552 11.624 -5.914 224 HB THR 32 HB THR 32 29.506 14.448 -4.839 225 HG1 THR 32 HG1 THR 32 29.724 14.759 -7.002 226 HG21 THR 32 HG21 THR 32 31.904 14.047 -4.497 227 HG22 THR 32 HG22 THR 32 31.725 12.417 -5.144 228 HG23 THR 32 HG23 THR 32 30.929 12.857 -3.634 229 H VAL 33 HN VAL 33 28.542 10.204 -4.583 230 HA VAL 33 HA VAL 33 26.695 11.086 -2.554 231 HB VAL 33 HB VAL 33 27.779 8.310 -3.072 232 HG11 VAL 33 HG11 VAL 33 25.810 7.548 -1.823 233 HG12 VAL 33 HG12 VAL 33 25.378 9.224 -1.487 234 HG13 VAL 33 HG13 VAL 33 26.867 8.547 -0.826 235 HG21 VAL 33 HG21 VAL 33 25.233 9.618 -4.028 236 HG22 VAL 33 HG22 VAL 33 25.653 7.919 -4.243 237 HG23 VAL 33 HG23 VAL 33 26.617 9.171 -5.026 238 H GLU 34 HN GLU 34 27.293 11.792 -0.643 239 HA GLU 34 HA GLU 34 29.640 10.577 0.667 240 HB2 GLU 34 HB2 GLU 34 30.050 12.934 -0.062 241 HB3 GLU 34 HB1 GLU 34 28.705 13.444 0.948 242 HG2 GLU 34 HG2 GLU 34 29.861 12.761 2.934 243 HG3 GLU 34 HG1 GLU 34 31.161 12.050 1.981 244 H ILE 35 HN ILE 35 29.191 9.660 2.601 245 HA ILE 35 HA ILE 35 26.529 10.222 3.742 246 HB ILE 35 HB ILE 35 28.083 7.629 3.812 247 HG12 ILE 35 HG12 ILE 35 25.522 8.384 2.382 248 HG13 ILE 35 HG11 ILE 35 27.086 8.132 1.617 249 HG21 ILE 35 HG21 ILE 35 26.816 7.954 5.863 250 HG22 ILE 35 HG22 ILE 35 26.084 6.688 4.876 251 HG23 ILE 35 HG23 ILE 35 25.362 8.296 4.926 252 HD11 ILE 35 HD11 ILE 35 25.483 6.041 3.070 253 HD12 ILE 35 HD12 ILE 35 27.039 5.790 2.278 254 HD13 ILE 35 HD13 ILE 35 25.620 6.217 1.321 255 H VAL 36 HN VAL 36 26.369 10.769 5.841 256 HA VAL 36 HA VAL 36 28.843 10.729 7.448 257 HB VAL 36 HB VAL 36 26.706 12.871 7.464 258 HG11 VAL 36 HG11 VAL 36 28.194 14.061 9.004 259 HG12 VAL 36 HG12 VAL 36 29.285 12.675 9.019 260 HG13 VAL 36 HG13 VAL 36 27.655 12.524 9.678 261 HG21 VAL 36 HG21 VAL 36 28.457 14.337 6.572 262 HG22 VAL 36 HG22 VAL 36 28.109 13.000 5.477 263 HG23 VAL 36 HG23 VAL 36 29.559 12.962 6.481 264 H HIS 37 HN HIS 37 28.696 9.602 9.255 265 HA HIS 37 HA HIS 37 26.119 8.686 10.222 266 HB2 HIS 37 HB2 HIS 37 28.311 7.310 10.070 267 HB3 HIS 37 HB1 HIS 37 28.777 8.158 11.538 268 HD2 HIS 37 HD2 HIS 37 26.767 5.142 10.421 269 HE1 HIS 37 HE1 HIS 37 25.878 5.791 14.503 270 HE2 HIS 37 HE2 HIS 37 25.851 4.101 12.616 271 H LEU 38 HN LEU 38 24.981 10.063 11.429 272 HA LEU 38 HA LEU 38 26.307 12.067 13.066 273 HB2 LEU 38 HB2 LEU 38 23.372 11.521 12.622 274 HB3 LEU 38 HB1 LEU 38 24.033 12.900 13.477 275 HG LEU 38 HG LEU 38 24.429 12.308 10.545 276 HD11 LEU 38 HD11 LEU 38 22.976 14.246 10.204 277 HD12 LEU 38 HD12 LEU 38 22.731 14.366 11.948 278 HD13 LEU 38 HD13 LEU 38 22.142 12.955 11.069 279 HD21 LEU 38 HD21 LEU 38 25.419 14.537 10.452 280 HD22 LEU 38 HD22 LEU 38 26.332 13.482 11.532 281 HD23 LEU 38 HD23 LEU 38 25.242 14.696 12.199 282 H GLY 39 HN GLY 39 24.954 8.957 13.457 283 HA2 GLY 39 HA2 GLY 39 24.063 9.336 16.181 284 HA3 GLY 39 HA1 GLY 39 24.074 7.825 15.286 285 H THR 40 HN THR 40 26.843 9.916 15.721 286 HA THR 40 HA THR 40 27.979 8.143 17.734 287 HB THR 40 HB THR 40 29.399 8.754 15.126 288 HG1 THR 40 HG1 THR 40 28.142 7.069 14.618 289 HG21 THR 40 HG21 THR 40 31.168 7.298 15.988 290 HG22 THR 40 HG22 THR 40 30.283 7.110 17.502 291 HG23 THR 40 HG23 THR 40 30.922 8.689 17.045 292 H ASP 41 HN ASP 41 28.780 10.871 15.580 293 HA ASP 41 HA ASP 41 30.274 12.115 17.755 294 HB2 ASP 41 HB2 ASP 41 30.046 12.935 14.852 295 HB3 ASP 41 HB1 ASP 41 31.129 13.644 16.045 296 H LYS 42 HN LYS 42 29.299 13.515 19.019 297 HA LYS 42 HA LYS 42 26.789 14.705 18.438 298 HB2 LYS 42 HB2 LYS 42 28.860 15.417 20.524 299 HB3 LYS 42 HB1 LYS 42 27.220 16.053 20.480 300 HG2 LYS 42 HG2 LYS 42 26.318 13.830 20.810 301 HG3 LYS 42 HG1 LYS 42 27.943 13.142 20.770 302 HD2 LYS 42 HD2 LYS 42 28.534 14.414 22.767 303 HD3 LYS 42 HD1 LYS 42 26.920 15.127 22.799 304 HE2 LYS 42 HE2 LYS 42 25.932 12.941 23.148 305 HE3 LYS 42 HE1 LYS 42 27.517 12.179 23.021 306 HZ1 LYS 42 HZ1 LYS 42 26.792 12.449 25.327 307 HZ2 LYS 42 HZ2 LYS 42 26.727 14.131 25.121 308 HZ3 LYS 42 HZ3 LYS 42 28.213 13.320 25.013 309 H ALA 43 HN ALA 43 30.115 15.698 18.016 310 HA ALA 43 HA ALA 43 29.659 18.415 17.406 311 HB1 ALA 43 HB1 ALA 43 31.854 16.606 16.400 312 HB2 ALA 43 HB2 ALA 43 31.876 17.511 17.913 313 HB3 ALA 43 HB3 ALA 43 31.865 18.369 16.372 314 H ARG 44 HN ARG 44 29.261 15.500 15.548 315 HA ARG 44 HA ARG 44 29.111 16.808 13.004 316 HB2 ARG 44 HB2 ARG 44 28.574 14.036 13.986 317 HB3 ARG 44 HB1 ARG 44 27.968 14.521 12.406 318 HG2 ARG 44 HG2 ARG 44 30.223 15.101 11.703 319 HG3 ARG 44 HG1 ARG 44 30.841 14.651 13.292 320 HD2 ARG 44 HD2 ARG 44 30.500 12.394 12.929 321 HD3 ARG 44 HD1 ARG 44 29.276 12.674 11.691 322 HE ARG 44 HE ARG 44 31.226 13.546 10.318 323 HH11 ARG 44 HH11 ARG 44 31.658 11.100 12.807 324 HH12 ARG 44 HH12 ARG 44 32.944 10.294 11.952 325 HH21 ARG 44 HH21 ARG 44 32.914 12.493 9.210 326 HH22 ARG 44 HH22 ARG 44 33.674 11.097 9.920 327 H ILE 45 HN ILE 45 26.926 16.220 15.595 328 HA ILE 45 HA ILE 45 24.481 16.481 14.208 329 HB ILE 45 HB ILE 45 25.171 17.255 17.051 330 HG12 ILE 45 HG12 ILE 45 23.884 14.760 15.920 331 HG13 ILE 45 HG11 ILE 45 25.529 14.875 16.531 332 HG21 ILE 45 HG21 ILE 45 22.463 16.875 15.776 333 HG22 ILE 45 HG22 ILE 45 23.156 18.404 16.316 334 HG23 ILE 45 HG23 ILE 45 22.765 17.150 17.492 335 HD11 ILE 45 HD11 ILE 45 24.066 13.830 18.151 336 HD12 ILE 45 HD12 ILE 45 23.015 15.245 18.143 337 HD13 ILE 45 HD13 ILE 45 24.662 15.374 18.759 338 H ALA 46 HN ALA 46 26.804 18.799 15.454 339 HA ALA 46 HA ALA 46 25.286 21.141 15.022 340 HB1 ALA 46 HB1 ALA 46 27.288 21.124 16.418 341 HB2 ALA 46 HB2 ALA 46 27.424 22.324 15.132 342 HB3 ALA 46 HB3 ALA 46 28.282 20.789 15.001 343 H GLU 47 HN GLU 47 27.447 19.264 12.951 344 HA GLU 47 HA GLU 47 27.416 21.035 10.744 345 HB2 GLU 47 HB2 GLU 47 27.849 18.043 10.805 346 HB3 GLU 47 HB1 GLU 47 28.196 19.088 9.435 347 HG2 GLU 47 HG2 GLU 47 29.831 20.306 10.832 348 HG3 GLU 47 HG1 GLU 47 29.533 19.148 12.129 349 H ALA 48 HN ALA 48 25.401 18.312 11.710 350 HA ALA 48 HA ALA 48 23.761 18.215 9.421 351 HB1 ALA 48 HB1 ALA 48 23.084 17.467 12.264 352 HB2 ALA 48 HB2 ALA 48 23.840 16.413 11.069 353 HB3 ALA 48 HB3 ALA 48 22.187 16.982 10.825 354 H GLU 49 HN GLU 49 23.444 19.951 12.489 355 HA GLU 49 HA GLU 49 20.991 21.196 12.046 356 HB2 GLU 49 HB2 GLU 49 22.113 21.226 14.207 357 HB3 GLU 49 HB1 GLU 49 23.417 22.200 13.545 358 HG2 GLU 49 HG2 GLU 49 21.793 24.009 13.116 359 HG3 GLU 49 HG1 GLU 49 20.549 23.034 13.899 360 H LYS 50 HN LYS 50 24.256 22.190 11.126 361 HA LYS 50 HA LYS 50 23.540 24.685 10.001 362 HB2 LYS 50 HB2 LYS 50 25.918 22.882 9.558 363 HB3 LYS 50 HB1 LYS 50 25.768 24.477 8.834 364 HG2 LYS 50 HG2 LYS 50 25.800 25.536 10.962 365 HG3 LYS 50 HG1 LYS 50 25.661 23.985 11.797 366 HD2 LYS 50 HD2 LYS 50 27.852 23.330 11.049 367 HD3 LYS 50 HD1 LYS 50 27.984 24.772 10.041 368 HE2 LYS 50 HE2 LYS 50 27.659 24.857 13.033 369 HE3 LYS 50 HE1 LYS 50 29.225 24.865 12.224 370 HZ1 LYS 50 HZ1 LYS 50 27.090 26.879 11.758 371 HZ2 LYS 50 HZ2 LYS 50 28.667 26.908 11.140 372 HZ3 LYS 50 HZ3 LYS 50 28.404 27.102 12.804 373 H ALA 51 HN ALA 51 23.477 21.432 8.774 374 HA ALA 51 HA ALA 51 23.215 22.270 6.014 375 HB1 ALA 51 HB1 ALA 51 23.050 19.890 5.514 376 HB2 ALA 51 HB2 ALA 51 22.964 19.524 7.238 377 HB3 ALA 51 HB3 ALA 51 24.436 20.219 6.555 378 H GLY 52 HN GLY 52 21.148 21.921 8.657 379 HA2 GLY 52 HA2 GLY 52 18.876 22.539 8.619 380 HA3 GLY 52 HA1 GLY 52 18.837 22.210 6.894 381 H VAL 53 HN VAL 53 20.284 19.842 8.923 382 HA VAL 53 HA VAL 53 18.259 17.921 8.230 383 HB VAL 53 HB VAL 53 20.646 17.628 10.067 384 HG11 VAL 53 HG11 VAL 53 18.899 15.523 8.793 385 HG12 VAL 53 HG12 VAL 53 18.932 15.945 10.505 386 HG13 VAL 53 HG13 VAL 53 20.351 15.221 9.749 387 HG21 VAL 53 HG21 VAL 53 21.300 18.203 7.789 388 HG22 VAL 53 HG22 VAL 53 20.318 16.878 7.163 389 HG23 VAL 53 HG23 VAL 53 21.729 16.535 8.166 390 H LYS 54 HN LYS 54 16.388 17.901 9.261 391 HA LYS 54 HA LYS 54 16.248 18.775 12.045 392 HB2 LYS 54 HB2 LYS 54 14.041 18.146 10.076 393 HB3 LYS 54 HB1 LYS 54 13.807 18.782 11.698 394 HG2 LYS 54 HG2 LYS 54 15.023 20.812 11.068 395 HG3 LYS 54 HG1 LYS 54 15.224 20.173 9.434 396 HD2 LYS 54 HD2 LYS 54 12.803 20.114 9.147 397 HD3 LYS 54 HD1 LYS 54 12.584 20.713 10.792 398 HE2 LYS 54 HE2 LYS 54 13.812 22.767 10.161 399 HE3 LYS 54 HE1 LYS 54 13.905 22.171 8.505 400 HZ1 LYS 54 HZ1 LYS 54 11.539 22.242 8.318 401 HZ2 LYS 54 HZ2 LYS 54 12.051 23.750 8.912 402 HZ3 LYS 54 HZ3 LYS 54 11.357 22.616 9.962 403 H SER 55 HN SER 55 15.874 15.943 10.047 404 HA SER 55 HA SER 55 15.718 14.297 12.444 405 HB2 SER 55 HB2 SER 55 13.692 14.064 10.202 406 HB3 SER 55 HB1 SER 55 13.798 13.017 11.619 407 HG SER 55 HG SER 55 13.702 15.569 12.414 408 H VAL 56 HN VAL 56 15.976 11.954 11.887 409 HA VAL 56 HA VAL 56 17.536 11.624 9.408 410 HB VAL 56 HB VAL 56 18.839 9.858 10.576 411 HG11 VAL 56 HG11 VAL 56 18.958 12.578 11.874 412 HG12 VAL 56 HG12 VAL 56 19.738 12.113 10.362 413 HG13 VAL 56 HG13 VAL 56 20.247 11.373 11.879 414 HG21 VAL 56 HG21 VAL 56 17.435 10.879 13.045 415 HG22 VAL 56 HG22 VAL 56 18.789 9.749 13.028 416 HG23 VAL 56 HG23 VAL 56 17.242 9.283 12.321 417 HA PRO 57 HA PRO 57 18.483 10.013 8.448 418 HB2 PRO 57 HB2 PRO 57 18.229 8.651 6.159 419 HB3 PRO 57 HB1 PRO 57 18.571 7.834 7.688 420 HG2 PRO 57 HG2 PRO 57 16.016 8.031 6.174 421 HG3 PRO 57 HG1 PRO 57 16.658 6.682 7.125 422 HD2 PRO 57 HD2 PRO 57 14.743 8.535 7.983 423 HD3 PRO 57 HD1 PRO 57 15.668 7.435 9.023 424 H ALA 58 HN ALA 58 19.121 11.459 6.850 425 HA ALA 58 HA ALA 58 17.013 12.603 5.153 426 HB1 ALA 58 HB1 ALA 58 17.726 14.866 5.695 427 HB2 ALA 58 HB2 ALA 58 18.924 14.233 6.824 428 HB3 ALA 58 HB3 ALA 58 17.205 14.016 7.150 429 H LEU 59 HN LEU 59 17.647 12.757 3.109 430 HA LEU 59 HA LEU 59 20.524 12.594 2.523 431 HB2 LEU 59 HB2 LEU 59 18.649 10.998 1.562 432 HB3 LEU 59 HB1 LEU 59 18.388 12.319 0.442 433 HG LEU 59 HG LEU 59 21.023 10.883 0.808 434 HD11 LEU 59 HD11 LEU 59 18.948 10.600 -1.360 435 HD12 LEU 59 HD12 LEU 59 19.329 9.400 -0.123 436 HD13 LEU 59 HD13 LEU 59 20.534 9.829 -1.338 437 HD21 LEU 59 HD21 LEU 59 20.118 12.862 -1.281 438 HD22 LEU 59 HD22 LEU 59 21.660 12.009 -1.267 439 HD23 LEU 59 HD23 LEU 59 21.285 13.173 0.003 440 H VAL 60 HN VAL 60 21.410 14.530 2.290 441 HA VAL 60 HA VAL 60 19.802 16.754 1.273 442 HB VAL 60 HB VAL 60 22.597 16.801 2.431 443 HG11 VAL 60 HG11 VAL 60 20.655 19.036 1.854 444 HG12 VAL 60 HG12 VAL 60 22.143 18.696 0.973 445 HG13 VAL 60 HG13 VAL 60 22.215 19.214 2.657 446 HG21 VAL 60 HG21 VAL 60 21.537 17.702 4.458 447 HG22 VAL 60 HG22 VAL 60 21.008 16.057 4.105 448 HG23 VAL 60 HG23 VAL 60 19.951 17.420 3.740 449 H ILE 61 HN ILE 61 19.768 16.834 -0.882 450 HA ILE 61 HA ILE 61 22.151 16.128 -2.410 451 HB ILE 61 HB ILE 61 19.450 17.023 -3.441 452 HG12 ILE 61 HG12 ILE 61 20.565 14.222 -3.145 453 HG13 ILE 61 HG11 ILE 61 19.299 14.924 -2.144 454 HG21 ILE 61 HG21 ILE 61 21.258 17.358 -5.036 455 HG22 ILE 61 HG22 ILE 61 20.208 16.042 -5.559 456 HG23 ILE 61 HG23 ILE 61 21.771 15.684 -4.827 457 HD11 ILE 61 HD11 ILE 61 18.367 13.444 -3.818 458 HD12 ILE 61 HD12 ILE 61 19.123 14.390 -5.101 459 HD13 ILE 61 HD13 ILE 61 17.856 15.107 -4.104 460 H ASP 62 HN ASP 62 23.604 17.701 -2.245 461 HA ASP 62 HA ASP 62 24.665 19.672 -2.493 462 HB2 ASP 62 HB2 ASP 62 22.275 20.280 -4.223 463 HB3 ASP 62 HB1 ASP 62 23.616 21.404 -4.017 464 H GLY 63 HN GLY 63 21.394 20.997 -2.522 465 HA2 GLY 63 HA2 GLY 63 21.907 22.132 0.147 466 HA3 GLY 63 HA1 GLY 63 21.396 23.179 -1.170 467 H ALA 64 HN ALA 64 20.017 20.116 -1.412 468 HA ALA 64 HA ALA 64 17.545 21.096 -0.136 469 HB1 ALA 64 HB1 ALA 64 17.353 20.938 -2.572 470 HB2 ALA 64 HB2 ALA 64 16.294 19.781 -1.766 471 HB3 ALA 64 HB3 ALA 64 17.803 19.235 -2.497 472 H ALA 65 HN ALA 65 17.019 20.030 1.637 473 HA ALA 65 HA ALA 65 18.271 17.438 2.159 474 HB1 ALA 65 HB1 ALA 65 17.604 17.798 4.480 475 HB2 ALA 65 HB2 ALA 65 16.744 19.266 4.012 476 HB3 ALA 65 HB3 ALA 65 18.499 19.185 3.856 477 H PHE 66 HN PHE 66 17.185 15.652 1.712 478 HA PHE 66 HA PHE 66 14.247 15.729 1.872 479 HB2 PHE 66 HB2 PHE 66 16.028 13.895 0.251 480 HB3 PHE 66 HB1 PHE 66 14.270 13.799 0.321 481 HD1 PHE 66 HD1 PHE 66 12.910 15.704 -0.571 482 HD2 PHE 66 HD2 PHE 66 17.113 15.412 -1.175 483 HE1 PHE 66 HE1 PHE 66 12.754 17.319 -2.416 484 HE2 PHE 66 HE2 PHE 66 16.962 17.027 -3.021 485 HZ PHE 66 HZ PHE 66 14.781 17.986 -3.643 486 H HIS 67 HN HIS 67 13.713 15.056 3.836 487 HA HIS 67 HA HIS 67 15.137 13.038 5.281 488 HB2 HIS 67 HB2 HIS 67 12.385 14.220 5.752 489 HB3 HIS 67 HB1 HIS 67 13.258 13.200 6.890 490 HD1 HIS 67 HD1 HIS 67 13.284 16.681 5.430 491 HD2 HIS 67 HD2 HIS 67 15.188 14.464 8.387 492 HE1 HIS 67 HE1 HIS 67 14.597 18.334 6.825 493 H ILE 68 HN ILE 68 15.024 10.932 4.847 494 HA ILE 68 HA ILE 68 12.825 9.946 3.213 495 HB ILE 68 HB ILE 68 15.255 8.416 4.163 496 HG12 ILE 68 HG12 ILE 68 14.796 9.852 1.532 497 HG13 ILE 68 HG11 ILE 68 15.877 10.398 2.808 498 HG21 ILE 68 HG21 ILE 68 14.698 6.905 2.309 499 HG22 ILE 68 HG22 ILE 68 13.274 7.880 1.946 500 HG23 ILE 68 HG23 ILE 68 13.382 7.011 3.477 501 HD11 ILE 68 HD11 ILE 68 17.107 9.326 1.020 502 HD12 ILE 68 HD12 ILE 68 16.152 7.856 1.221 503 HD13 ILE 68 HD13 ILE 68 17.235 8.389 2.508 504 H ASN 69 HN ASN 69 11.093 9.750 4.455 505 HA ASN 69 HA ASN 69 9.633 9.042 6.028 506 HB2 ASN 69 HB2 ASN 69 11.720 6.956 6.719 507 HB3 ASN 69 HB1 ASN 69 10.034 6.940 7.226 508 HD21 ASN 69 HD21 ASN 69 12.264 6.256 4.730 509 HD22 ASN 69 HD22 ASN 69 11.143 5.573 3.606 510 H PHE 70 HN PHE 70 9.917 8.209 8.658 511 HA PHE 70 HA PHE 70 11.595 10.320 9.831 512 HB2 PHE 70 HB2 PHE 70 9.278 11.133 9.731 513 HB3 PHE 70 HB1 PHE 70 8.735 9.705 10.603 514 HD1 PHE 70 HD1 PHE 70 11.163 12.517 10.967 515 HD2 PHE 70 HD2 PHE 70 8.428 9.875 12.878 516 HE1 PHE 70 HE1 PHE 70 11.518 13.693 13.097 517 HE2 PHE 70 HE2 PHE 70 8.782 11.045 15.012 518 HZ PHE 70 HZ PHE 70 10.329 12.958 15.123 519 H GLY 71 HN GLY 71 13.104 9.200 10.868 520 HA2 GLY 71 HA2 GLY 71 12.305 6.860 12.453 521 HA3 GLY 71 HA1 GLY 71 13.953 7.284 12.003 522 H ALA 72 HN ALA 72 14.658 9.490 12.899 523 HA ALA 72 HA ALA 72 13.508 10.013 15.542 524 HB1 ALA 72 HB1 ALA 72 15.716 10.044 16.589 525 HB2 ALA 72 HB2 ALA 72 16.453 9.544 15.067 526 HB3 ALA 72 HB3 ALA 72 15.360 8.453 15.915 527 H GLY 73 HN GLY 73 13.796 12.146 16.267 528 HA2 GLY 73 HA2 GLY 73 14.468 14.063 14.191 529 HA3 GLY 73 HA1 GLY 73 13.826 14.426 15.789 530 H ILE 74 HN ILE 74 15.875 15.961 14.783 531 HA ILE 74 HA ILE 74 18.442 14.986 15.460 532 HB ILE 74 HB ILE 74 18.111 16.863 13.905 533 HG12 ILE 74 HG12 ILE 74 19.761 17.649 16.314 534 HG13 ILE 74 HG11 ILE 74 20.278 16.520 15.066 535 HG21 ILE 74 HG21 ILE 74 17.650 19.117 14.763 536 HG22 ILE 74 HG22 ILE 74 17.340 18.431 16.359 537 HG23 ILE 74 HG23 ILE 74 16.292 18.017 15.002 538 HD11 ILE 74 HD11 ILE 74 20.159 18.308 13.407 539 HD12 ILE 74 HD12 ILE 74 21.256 18.710 14.729 540 HD13 ILE 74 HD13 ILE 74 19.649 19.436 14.664 541 H ASP 75 HN ASP 75 15.936 16.599 17.307 542 HA ASP 75 HA ASP 75 17.610 17.126 19.573 543 HB2 ASP 75 HB2 ASP 75 14.643 17.223 19.117 544 HB3 ASP 75 HB1 ASP 75 15.311 17.394 20.738 545 H ASP 76 HN ASP 76 15.816 14.403 18.442 546 HA ASP 76 HA ASP 76 15.745 12.974 20.906 547 HB2 ASP 76 HB2 ASP 76 15.637 12.039 18.032 548 HB3 ASP 76 HB1 ASP 76 15.504 10.944 19.403 549 H LEU 77 HN LEU 77 18.116 13.525 18.443 550 HA LEU 77 HA LEU 77 19.955 11.530 19.423 551 HB2 LEU 77 HB2 LEU 77 20.391 13.820 17.500 552 HB3 LEU 77 HB1 LEU 77 21.525 12.519 17.808 553 HG LEU 77 HG LEU 77 18.787 12.191 16.578 554 HD11 LEU 77 HD11 LEU 77 21.533 12.068 15.342 555 HD12 LEU 77 HD12 LEU 77 20.328 13.330 15.084 556 HD13 LEU 77 HD13 LEU 77 20.018 11.686 14.526 557 HD21 LEU 77 HD21 LEU 77 19.477 10.235 17.870 558 HD22 LEU 77 HD22 LEU 77 21.008 10.192 16.996 559 HD23 LEU 77 HD23 LEU 77 19.495 9.895 16.140 560 H LYS 78 HN LYS 78 19.272 14.888 19.958 561 HA LYS 78 HA LYS 78 21.710 15.580 21.254 562 HB2 LYS 78 HB2 LYS 78 18.954 16.799 21.558 563 HB3 LYS 78 HB1 LYS 78 20.458 17.524 22.106 564 HG2 LYS 78 HG2 LYS 78 21.212 17.835 19.870 565 HG3 LYS 78 HG1 LYS 78 19.876 16.873 19.228 566 HD2 LYS 78 HD2 LYS 78 18.302 18.569 20.168 567 HD3 LYS 78 HD1 LYS 78 19.700 19.555 20.597 568 HE2 LYS 78 HE2 LYS 78 20.331 19.762 18.288 569 HE3 LYS 78 HE1 LYS 78 19.075 18.625 17.799 570 HZ1 LYS 78 HZ1 LYS 78 18.532 21.027 17.459 571 HZ2 LYS 78 HZ2 LYS 78 18.494 21.206 19.141 572 HZ3 LYS 78 HZ3 LYS 78 17.391 20.169 18.375 573 H GLY 79 HN GLY 79 18.451 14.942 22.545 574 HA2 GLY 79 HA2 GLY 79 18.073 13.440 24.378 575 HA3 GLY 79 HA1 GLY 79 19.712 13.762 24.930 576 H SER 80 HN SER 80 18.931 14.275 27.010 577 HA SER 80 HA SER 80 18.247 17.059 27.271 578 HB2 SER 80 HB2 SER 80 16.022 15.882 27.065 579 HB3 SER 80 HB1 SER 80 16.417 15.005 28.542 580 HG SER 80 HG SER 80 16.446 17.837 28.416 581 H1 VAL 1 HT1 VAL 1 16.522 -5.876 -18.737 582 H2 VAL 1 HT2 VAL 1 17.003 -5.693 -17.121 583 H3 VAL 1 HT3 VAL 1 17.247 -4.431 -18.224 584 HA VAL 1 HA VAL 1 14.899 -4.101 -18.465 585 HB VAL 1 HB VAL 1 14.656 -6.339 -16.438 586 HG11 VAL 1 HG11 VAL 1 12.497 -4.611 -17.648 587 HG12 VAL 1 HG12 VAL 1 13.058 -4.545 -15.976 588 HG13 VAL 1 HG13 VAL 1 12.244 -5.991 -16.578 589 HG21 VAL 1 HG21 VAL 1 13.357 -7.463 -18.194 590 HG22 VAL 1 HG22 VAL 1 15.022 -7.161 -18.690 591 HG23 VAL 1 HG23 VAL 1 13.721 -6.136 -19.298 592 H ALA 2 HN ALA 2 14.281 -2.327 -17.395 593 HA ALA 2 HA ALA 2 15.665 -1.660 -14.913 594 HB1 ALA 2 HB1 ALA 2 13.854 0.031 -16.639 595 HB2 ALA 2 HB2 ALA 2 15.614 -0.005 -16.728 596 HB3 ALA 2 HB3 ALA 2 14.818 0.596 -15.273 597 H SER 3 HN SER 3 14.631 -1.308 -12.969 598 HA SER 3 HA SER 3 12.081 -2.623 -12.699 599 HB2 SER 3 HB2 SER 3 12.679 -1.733 -10.193 600 HB3 SER 3 HB1 SER 3 13.252 -3.258 -10.872 601 HG SER 3 HG SER 3 14.941 -1.955 -9.981 602 H LYS 4 HN LYS 4 10.375 -1.641 -11.314 603 HA LYS 4 HA LYS 4 9.775 0.965 -12.475 604 HB2 LYS 4 HB2 LYS 4 8.094 -0.658 -12.855 605 HB3 LYS 4 HB1 LYS 4 8.108 -1.181 -11.177 606 HG2 LYS 4 HG2 LYS 4 7.109 0.919 -10.489 607 HG3 LYS 4 HG1 LYS 4 7.144 1.498 -12.157 608 HD2 LYS 4 HD2 LYS 4 4.921 0.665 -11.501 609 HD3 LYS 4 HD1 LYS 4 5.617 -0.266 -12.830 610 HE2 LYS 4 HE2 LYS 4 6.307 -2.001 -11.258 611 HE3 LYS 4 HE1 LYS 4 5.641 -1.064 -9.919 612 HZ1 LYS 4 HZ1 LYS 4 3.981 -1.935 -12.206 613 HZ2 LYS 4 HZ2 LYS 4 3.470 -1.406 -10.675 614 HZ3 LYS 4 HZ3 LYS 4 4.219 -2.919 -10.847 615 H ALA 5 HN ALA 5 9.618 2.801 -11.363 616 HA ALA 5 HA ALA 5 9.424 2.670 -8.427 617 HB1 ALA 5 HB1 ALA 5 11.710 3.289 -9.038 618 HB2 ALA 5 HB2 ALA 5 10.875 4.641 -8.273 619 HB3 ALA 5 HB3 ALA 5 11.095 4.617 -10.022 620 H ILE 6 HN ILE 6 7.492 3.476 -7.879 621 HA ILE 6 HA ILE 6 6.219 5.389 -9.707 622 HB ILE 6 HB ILE 6 4.958 3.807 -7.458 623 HG12 ILE 6 HG12 ILE 6 5.742 2.373 -9.316 624 HG13 ILE 6 HG11 ILE 6 3.987 2.407 -9.204 625 HG21 ILE 6 HG21 ILE 6 3.711 5.472 -9.642 626 HG22 ILE 6 HG22 ILE 6 3.787 5.890 -7.931 627 HG23 ILE 6 HG23 ILE 6 2.835 4.503 -8.458 628 HD11 ILE 6 HD11 ILE 6 3.900 3.994 -11.056 629 HD12 ILE 6 HD12 ILE 6 4.730 2.506 -11.512 630 HD13 ILE 6 HD13 ILE 6 5.660 3.964 -11.164 631 H PHE 7 HN PHE 7 6.148 7.455 -9.192 632 HA PHE 7 HA PHE 7 6.654 8.253 -6.415 633 HB2 PHE 7 HB2 PHE 7 8.105 9.259 -8.133 634 HB3 PHE 7 HB1 PHE 7 6.689 9.899 -8.959 635 HD1 PHE 7 HD1 PHE 7 8.634 10.090 -5.817 636 HD2 PHE 7 HD2 PHE 7 5.744 11.952 -8.326 637 HE1 PHE 7 HE1 PHE 7 8.765 12.130 -4.448 638 HE2 PHE 7 HE2 PHE 7 5.869 13.995 -6.961 639 HZ PHE 7 HZ PHE 7 7.381 14.086 -5.019 640 H TYR 8 HN TYR 8 5.006 8.877 -5.189 641 HA TYR 8 HA TYR 8 2.480 9.566 -6.525 642 HB2 TYR 8 HB2 TYR 8 3.055 8.442 -3.787 643 HB3 TYR 8 HB1 TYR 8 1.485 9.104 -4.224 644 HD1 TYR 8 HD1 TYR 8 0.220 8.042 -6.135 645 HD2 TYR 8 HD2 TYR 8 3.643 6.237 -4.371 646 HE1 TYR 8 HE1 TYR 8 -0.452 5.871 -7.070 647 HE2 TYR 8 HE2 TYR 8 2.981 4.060 -5.303 648 HH TYR 8 HH TYR 8 0.977 2.934 -6.105 649 H HIS 9 HN HIS 9 1.627 11.528 -6.312 650 HA HIS 9 HA HIS 9 2.404 13.195 -4.049 651 HB2 HIS 9 HB2 HIS 9 3.184 15.015 -5.281 652 HB3 HIS 9 HB1 HIS 9 3.894 13.649 -6.124 653 HD2 HIS 9 HD2 HIS 9 2.552 13.008 -8.611 654 HE1 HIS 9 HE1 HIS 9 0.973 16.922 -8.920 655 HE2 HIS 9 HE2 HIS 9 1.583 14.826 -10.199 656 H ALA 10 HN ALA 10 1.048 15.387 -4.301 657 HA ALA 10 HA ALA 10 -1.514 15.009 -5.554 658 HB1 ALA 10 HB1 ALA 10 -2.841 15.023 -3.522 659 HB2 ALA 10 HB2 ALA 10 -1.375 15.032 -2.540 660 HB3 ALA 10 HB3 ALA 10 -1.762 13.629 -3.538 661 H GLY 11 HN GLY 11 0.827 17.015 -5.154 662 HA2 GLY 11 HA2 GLY 11 -0.931 19.321 -4.827 663 HA3 GLY 11 HA1 GLY 11 0.446 19.195 -3.740 664 H CYS 12 HN CYS 12 2.344 19.921 -4.387 665 HA CYS 12 HA CYS 12 3.269 20.148 -7.008 666 HB2 CYS 12 HB2 CYS 12 1.430 21.739 -7.302 667 HB3 CYS 12 HB1 CYS 12 2.029 22.701 -5.959 668 HG CYS 12 HG CYS 12 2.760 24.201 -8.058 669 HA PRO 13 HA PRO 13 5.821 23.317 -4.196 670 HB2 PRO 13 HB2 PRO 13 5.039 22.176 -1.555 671 HB3 PRO 13 HB1 PRO 13 5.441 23.841 -1.990 672 HG2 PRO 13 HG2 PRO 13 2.915 23.128 -1.609 673 HG3 PRO 13 HG1 PRO 13 3.353 24.240 -2.919 674 HD2 PRO 13 HD2 PRO 13 2.624 21.349 -3.048 675 HD3 PRO 13 HD1 PRO 13 2.254 22.660 -4.183 676 H VAL 14 HN VAL 14 5.421 20.391 -2.189 677 HA VAL 14 HA VAL 14 8.252 19.902 -2.222 678 HB VAL 14 HB VAL 14 6.052 18.098 -1.192 679 HG11 VAL 14 HG11 VAL 14 8.173 16.946 -1.465 680 HG12 VAL 14 HG12 VAL 14 7.811 17.170 0.246 681 HG13 VAL 14 HG13 VAL 14 8.996 18.207 -0.547 682 HG21 VAL 14 HG21 VAL 14 7.607 20.246 0.244 683 HG22 VAL 14 HG22 VAL 14 6.524 19.086 1.014 684 HG23 VAL 14 HG23 VAL 14 5.884 20.267 -0.130 685 H CYS 15 HN CYS 15 5.545 18.936 -4.075 686 HA CYS 15 HA CYS 15 6.418 16.389 -4.934 687 HB2 CYS 15 HB2 CYS 15 4.527 18.264 -6.362 688 HB3 CYS 15 HB1 CYS 15 4.591 16.507 -6.491 689 HG CYS 15 HG CYS 15 4.122 16.609 -3.466 690 H VAL 16 HN VAL 16 6.587 19.616 -6.427 691 HA VAL 16 HA VAL 16 7.952 18.699 -8.757 692 HB VAL 16 HB VAL 16 7.760 21.503 -7.629 693 HG11 VAL 16 HG11 VAL 16 8.505 20.558 -10.397 694 HG12 VAL 16 HG12 VAL 16 9.592 21.297 -9.222 695 HG13 VAL 16 HG13 VAL 16 8.270 22.239 -9.913 696 HG21 VAL 16 HG21 VAL 16 5.568 20.539 -8.076 697 HG22 VAL 16 HG22 VAL 16 6.079 20.101 -9.706 698 HG23 VAL 16 HG23 VAL 16 5.945 21.800 -9.252 699 H SER 17 HN SER 17 8.955 19.850 -5.607 700 HA SER 17 HA SER 17 11.662 20.353 -6.160 701 HB2 SER 17 HB2 SER 17 10.498 20.995 -4.041 702 HB3 SER 17 HB1 SER 17 10.484 19.294 -3.573 703 HG SER 17 HG SER 17 12.500 21.122 -3.429 704 H ALA 18 HN ALA 18 10.067 17.421 -4.909 705 HA ALA 18 HA ALA 18 12.389 15.814 -4.917 706 HB1 ALA 18 HB1 ALA 18 9.508 14.941 -5.104 707 HB2 ALA 18 HB2 ALA 18 10.380 15.281 -3.610 708 HB3 ALA 18 HB3 ALA 18 10.878 13.935 -4.634 709 H GLU 19 HN GLU 19 10.070 16.637 -7.383 710 HA GLU 19 HA GLU 19 10.671 14.560 -9.209 711 HB2 GLU 19 HB2 GLU 19 8.627 15.945 -9.330 712 HB3 GLU 19 HB1 GLU 19 9.610 17.336 -9.769 713 HG2 GLU 19 HG2 GLU 19 10.390 15.976 -11.758 714 HG3 GLU 19 HG1 GLU 19 9.092 14.849 -11.364 715 H GLN 20 HN GLN 20 12.009 17.804 -8.730 716 HA GLN 20 HA GLN 20 13.702 17.449 -11.088 717 HB2 GLN 20 HB2 GLN 20 13.235 19.880 -9.360 718 HB3 GLN 20 HB1 GLN 20 14.227 19.844 -10.812 719 HG2 GLN 20 HG2 GLN 20 12.260 19.231 -12.134 720 HG3 GLN 20 HG1 GLN 20 11.270 19.300 -10.677 721 HE21 GLN 20 HE21 GLN 20 11.047 20.812 -13.141 722 HE22 GLN 20 HE22 GLN 20 11.156 22.486 -12.696 723 H ALA 21 HN ALA 21 13.928 16.808 -7.852 724 HA ALA 21 HA ALA 21 16.856 17.127 -7.951 725 HB1 ALA 21 HB1 ALA 21 16.873 17.250 -5.531 726 HB2 ALA 21 HB2 ALA 21 15.122 17.043 -5.488 727 HB3 ALA 21 HB3 ALA 21 15.820 18.496 -6.203 728 H VAL 22 HN VAL 22 14.413 15.093 -6.302 729 HA VAL 22 HA VAL 22 16.261 12.965 -5.895 730 HB VAL 22 HB VAL 22 13.243 12.876 -5.750 731 HG11 VAL 22 HG11 VAL 22 15.325 11.036 -4.574 732 HG12 VAL 22 HG12 VAL 22 14.249 10.658 -5.919 733 HG13 VAL 22 HG13 VAL 22 13.585 10.928 -4.307 734 HG21 VAL 22 HG21 VAL 22 15.283 13.406 -3.592 735 HG22 VAL 22 HG22 VAL 22 13.551 13.198 -3.337 736 HG23 VAL 22 HG23 VAL 22 14.146 14.575 -4.264 737 H ALA 23 HN ALA 23 13.488 13.364 -8.102 738 HA ALA 23 HA ALA 23 13.952 10.876 -9.435 739 HB1 ALA 23 HB1 ALA 23 12.305 13.239 -10.334 740 HB2 ALA 23 HB2 ALA 23 11.729 11.909 -9.327 741 HB3 ALA 23 HB3 ALA 23 12.232 11.603 -10.990 742 H ASN 24 HN ASN 24 15.557 13.787 -9.531 743 HA ASN 24 HA ASN 24 16.464 13.481 -12.290 744 HB2 ASN 24 HB2 ASN 24 15.932 15.750 -11.328 745 HB3 ASN 24 HB1 ASN 24 17.304 15.548 -10.245 746 HD21 ASN 24 HD21 ASN 24 16.270 16.143 -13.489 747 HD22 ASN 24 HD22 ASN 24 17.824 16.589 -14.120 748 H ALA 25 HN ALA 25 17.426 12.944 -9.006 749 HA ALA 25 HA ALA 25 20.202 12.462 -9.586 750 HB1 ALA 25 HB1 ALA 25 19.498 13.285 -7.393 751 HB2 ALA 25 HB2 ALA 25 20.350 11.746 -7.260 752 HB3 ALA 25 HB3 ALA 25 18.592 11.797 -7.124 753 H ILE 26 HN ILE 26 17.304 10.518 -9.079 754 HA ILE 26 HA ILE 26 18.736 8.039 -9.555 755 HB ILE 26 HB ILE 26 15.751 8.531 -9.383 756 HG12 ILE 26 HG12 ILE 26 17.684 7.522 -7.278 757 HG13 ILE 26 HG11 ILE 26 16.952 9.123 -7.302 758 HG21 ILE 26 HG21 ILE 26 16.300 6.484 -10.581 759 HG22 ILE 26 HG22 ILE 26 15.606 6.109 -9.003 760 HG23 ILE 26 HG23 ILE 26 17.346 5.971 -9.257 761 HD11 ILE 26 HD11 ILE 26 15.493 6.509 -7.001 762 HD12 ILE 26 HD12 ILE 26 14.742 8.104 -7.054 763 HD13 ILE 26 HD13 ILE 26 15.822 7.681 -5.726 764 H ASP 27 HN ASP 27 19.138 7.262 -11.537 765 HA ASP 27 HA ASP 27 18.364 8.804 -13.812 766 HB2 ASP 27 HB2 ASP 27 20.563 7.479 -13.403 767 HB3 ASP 27 HB1 ASP 27 19.650 6.099 -14.009 768 HA PRO 28 HA PRO 28 14.465 6.815 -14.491 769 HB2 PRO 28 HB2 PRO 28 14.746 7.901 -17.229 770 HB3 PRO 28 HB1 PRO 28 13.469 8.167 -16.037 771 HG2 PRO 28 HG2 PRO 28 15.247 10.076 -16.591 772 HG3 PRO 28 HG1 PRO 28 14.663 9.819 -14.936 773 HD2 PRO 28 HD2 PRO 28 17.258 8.989 -16.181 774 HD3 PRO 28 HD1 PRO 28 16.944 9.655 -14.564 775 H SER 29 HN SER 29 17.237 6.290 -16.561 776 HA SER 29 HA SER 29 15.948 4.102 -17.960 777 HB2 SER 29 HB2 SER 29 17.585 5.604 -19.102 778 HB3 SER 29 HB1 SER 29 18.850 4.963 -18.052 779 HG SER 29 HG SER 29 17.864 2.832 -18.977 780 H LYS 30 HN LYS 30 17.537 4.565 -15.046 781 HA LYS 30 HA LYS 30 18.416 1.783 -14.817 782 HB2 LYS 30 HB2 LYS 30 19.892 3.571 -13.965 783 HB3 LYS 30 HB1 LYS 30 18.621 4.098 -12.875 784 HG2 LYS 30 HG2 LYS 30 18.741 1.947 -11.707 785 HG3 LYS 30 HG1 LYS 30 20.041 1.443 -12.792 786 HD2 LYS 30 HD2 LYS 30 21.388 3.360 -12.028 787 HD3 LYS 30 HD1 LYS 30 20.101 3.794 -10.903 788 HE2 LYS 30 HE2 LYS 30 20.381 1.697 -9.725 789 HE3 LYS 30 HE1 LYS 30 21.598 1.176 -10.891 790 HZ1 LYS 30 HZ1 LYS 30 22.978 3.066 -10.197 791 HZ2 LYS 30 HZ2 LYS 30 22.655 2.007 -8.909 792 HZ3 LYS 30 HZ3 LYS 30 21.824 3.478 -9.028 793 H TYR 31 HN TYR 31 16.277 4.130 -13.260 794 HA TYR 31 HA TYR 31 14.488 1.911 -12.542 795 HB2 TYR 31 HB2 TYR 31 15.361 4.244 -10.864 796 HB3 TYR 31 HB1 TYR 31 13.772 3.528 -10.613 797 HD1 TYR 31 HD2 TYR 31 17.405 2.932 -10.400 798 HD2 TYR 31 HD1 TYR 31 13.528 1.372 -9.602 799 HE1 TYR 31 HE2 TYR 31 18.404 1.176 -8.996 800 HE2 TYR 31 HE1 TYR 31 14.517 -0.385 -8.198 801 HH TYR 31 HH TYR 31 17.643 -0.302 -7.058 802 H THR 32 HN THR 32 12.592 2.079 -13.500 803 HA THR 32 HA THR 32 11.993 4.392 -15.087 804 HB THR 32 HB THR 32 10.208 2.010 -14.563 805 HG1 THR 32 HG1 THR 32 12.547 2.280 -16.029 806 HG21 THR 32 HG21 THR 32 10.371 3.941 -16.884 807 HG22 THR 32 HG22 THR 32 9.112 3.922 -15.649 808 HG23 THR 32 HG23 THR 32 9.277 2.564 -16.763 809 H VAL 33 HN VAL 33 11.555 6.124 -13.817 810 HA VAL 33 HA VAL 33 9.757 5.927 -11.570 811 HB VAL 33 HB VAL 33 11.024 8.383 -12.801 812 HG11 VAL 33 HG11 VAL 33 9.056 8.939 -11.495 813 HG12 VAL 33 HG12 VAL 33 10.515 9.446 -10.642 814 HG13 VAL 33 HG13 VAL 33 9.661 7.988 -10.139 815 HG21 VAL 33 HG21 VAL 33 11.892 6.729 -10.431 816 HG22 VAL 33 HG22 VAL 33 12.632 8.242 -10.958 817 HG23 VAL 33 HG23 VAL 33 12.706 6.816 -11.993 818 H GLU 34 HN GLU 34 7.646 5.979 -11.775 819 HA GLU 34 HA GLU 34 6.465 7.624 -13.916 820 HB2 GLU 34 HB2 GLU 34 6.120 5.162 -14.202 821 HB3 GLU 34 HB1 GLU 34 5.270 5.141 -12.663 822 HG2 GLU 34 HG2 GLU 34 3.518 6.503 -13.525 823 HG3 GLU 34 HG1 GLU 34 4.413 6.810 -15.013 824 H ILE 35 HN ILE 35 5.227 9.253 -13.239 825 HA ILE 35 HA ILE 35 4.833 9.522 -10.359 826 HB ILE 35 HB ILE 35 4.591 11.580 -12.561 827 HG12 ILE 35 HG12 ILE 35 6.737 11.160 -10.466 828 HG13 ILE 35 HG11 ILE 35 6.893 10.770 -12.174 829 HG21 ILE 35 HG21 ILE 35 4.514 13.225 -10.740 830 HG22 ILE 35 HG22 ILE 35 4.481 11.912 -9.565 831 HG23 ILE 35 HG23 ILE 35 3.139 12.123 -10.689 832 HD11 ILE 35 HD11 ILE 35 8.007 12.857 -11.629 833 HD12 ILE 35 HD12 ILE 35 6.489 13.522 -11.026 834 HD13 ILE 35 HD13 ILE 35 6.661 13.130 -12.737 835 H VAL 36 HN VAL 36 2.921 9.358 -9.422 836 HA VAL 36 HA VAL 36 0.501 9.474 -11.107 837 HB VAL 36 HB VAL 36 0.958 7.732 -8.674 838 HG11 VAL 36 HG11 VAL 36 -1.453 7.970 -10.473 839 HG12 VAL 36 HG12 VAL 36 -1.347 8.495 -8.792 840 HG13 VAL 36 HG13 VAL 36 -1.246 6.779 -9.189 841 HG21 VAL 36 HG21 VAL 36 2.137 6.895 -10.627 842 HG22 VAL 36 HG22 VAL 36 0.662 7.005 -11.587 843 HG23 VAL 36 HG23 VAL 36 0.760 5.858 -10.250 844 H HIS 37 HN HIS 37 -0.975 10.913 -10.540 845 HA HIS 37 HA HIS 37 -0.569 12.490 -8.123 846 HB2 HIS 37 HB2 HIS 37 -0.933 13.603 -10.304 847 HB3 HIS 37 HB1 HIS 37 -2.516 12.844 -10.416 848 HD2 HIS 37 HD2 HIS 37 -0.790 15.254 -7.795 849 HE1 HIS 37 HE1 HIS 37 -4.824 16.357 -8.411 850 HE2 HIS 37 HE2 HIS 37 -2.597 17.083 -7.442 851 H LEU 38 HN LEU 38 -1.650 12.094 -6.311 852 HA LEU 38 HA LEU 38 -4.081 10.436 -6.434 853 HB2 LEU 38 HB2 LEU 38 -2.221 11.065 -4.143 854 HB3 LEU 38 HB1 LEU 38 -3.685 10.116 -3.991 855 HG LEU 38 HG LEU 38 -1.280 9.364 -5.656 856 HD11 LEU 38 HD11 LEU 38 -0.942 7.627 -3.970 857 HD12 LEU 38 HD12 LEU 38 -2.297 8.263 -3.037 858 HD13 LEU 38 HD13 LEU 38 -0.842 9.236 -3.258 859 HD21 LEU 38 HD21 LEU 38 -3.367 8.526 -6.603 860 HD22 LEU 38 HD22 LEU 38 -3.811 7.843 -5.038 861 HD23 LEU 38 HD23 LEU 38 -2.415 7.212 -5.912 862 H GLY 39 HN GLY 39 -3.542 13.537 -6.636 863 HA2 GLY 39 HA2 GLY 39 -5.072 14.462 -4.332 864 HA3 GLY 39 HA1 GLY 39 -4.234 15.473 -5.496 865 H THR 40 HN THR 40 -6.410 12.921 -6.478 866 HA THR 40 HA THR 40 -8.663 14.702 -6.754 867 HB THR 40 HB THR 40 -7.371 13.574 -9.250 868 HG1 THR 40 HG1 THR 40 -7.022 15.897 -7.939 869 HG21 THR 40 HG21 THR 40 -9.866 15.253 -8.929 870 HG22 THR 40 HG22 THR 40 -9.826 13.540 -9.350 871 HG23 THR 40 HG23 THR 40 -9.153 14.735 -10.457 872 H ASP 41 HN ASP 41 -7.546 11.702 -8.354 873 HA ASP 41 HA ASP 41 -10.086 10.457 -8.103 874 HB2 ASP 41 HB2 ASP 41 -8.489 9.884 -9.890 875 HB3 ASP 41 HB1 ASP 41 -7.390 9.215 -8.687 876 H LYS 42 HN LYS 42 -10.951 9.441 -6.432 877 HA LYS 42 HA LYS 42 -9.400 9.167 -3.999 878 HB2 LYS 42 HB2 LYS 42 -12.296 8.452 -4.490 879 HB3 LYS 42 HB1 LYS 42 -11.513 8.647 -2.929 880 HG2 LYS 42 HG2 LYS 42 -11.144 11.025 -3.435 881 HG3 LYS 42 HG1 LYS 42 -11.999 10.811 -4.964 882 HD2 LYS 42 HD2 LYS 42 -13.978 10.028 -3.645 883 HD3 LYS 42 HD1 LYS 42 -13.111 10.491 -2.180 884 HE2 LYS 42 HE2 LYS 42 -14.581 12.282 -2.766 885 HE3 LYS 42 HE1 LYS 42 -12.929 12.800 -3.103 886 HZ1 LYS 42 HZ1 LYS 42 -13.306 12.222 -5.452 887 HZ2 LYS 42 HZ2 LYS 42 -14.364 13.429 -4.908 888 HZ3 LYS 42 HZ3 LYS 42 -14.918 11.837 -5.092 889 H ALA 43 HN ALA 43 -10.555 7.170 -6.553 890 HA ALA 43 HA ALA 43 -10.676 4.701 -5.196 891 HB1 ALA 43 HB1 ALA 43 -10.678 3.692 -7.411 892 HB2 ALA 43 HB2 ALA 43 -10.164 5.222 -8.122 893 HB3 ALA 43 HB3 ALA 43 -11.749 5.091 -7.360 894 H ARG 44 HN ARG 44 -8.053 6.362 -6.901 895 HA ARG 44 HA ARG 44 -6.203 4.210 -6.519 896 HB2 ARG 44 HB2 ARG 44 -5.958 7.027 -7.486 897 HB3 ARG 44 HB1 ARG 44 -4.509 6.121 -7.068 898 HG2 ARG 44 HG2 ARG 44 -5.256 4.336 -8.628 899 HG3 ARG 44 HG1 ARG 44 -6.573 5.397 -9.127 900 HD2 ARG 44 HD2 ARG 44 -5.093 6.966 -10.061 901 HD3 ARG 44 HD1 ARG 44 -3.698 6.255 -9.246 902 HE ARG 44 HE ARG 44 -4.680 4.245 -10.826 903 HH11 ARG 44 HH11 ARG 44 -3.567 7.529 -11.410 904 HH12 ARG 44 HH12 ARG 44 -2.956 7.162 -13.000 905 HH21 ARG 44 HH21 ARG 44 -3.906 3.780 -12.901 906 HH22 ARG 44 HH22 ARG 44 -3.190 5.036 -13.863 907 H ILE 45 HN ILE 45 -7.206 6.924 -4.600 908 HA ILE 45 HA ILE 45 -5.057 6.903 -2.758 909 HB ILE 45 HB ILE 45 -7.966 7.585 -2.257 910 HG12 ILE 45 HG12 ILE 45 -5.607 9.379 -2.881 911 HG13 ILE 45 HG11 ILE 45 -6.893 8.963 -4.009 912 HG21 ILE 45 HG21 ILE 45 -6.785 7.101 -0.181 913 HG22 ILE 45 HG22 ILE 45 -7.143 8.823 -0.307 914 HG23 ILE 45 HG23 ILE 45 -5.510 8.236 -0.626 915 HD11 ILE 45 HD11 ILE 45 -8.514 10.087 -2.579 916 HD12 ILE 45 HD12 ILE 45 -7.217 11.176 -3.067 917 HD13 ILE 45 HD13 ILE 45 -7.232 10.495 -1.440 918 H ALA 46 HN ALA 46 -8.096 5.122 -2.977 919 HA ALA 46 HA ALA 46 -7.829 3.570 -0.655 920 HB1 ALA 46 HB1 ALA 46 -9.419 2.040 -1.713 921 HB2 ALA 46 HB2 ALA 46 -9.179 2.856 -3.258 922 HB3 ALA 46 HB3 ALA 46 -9.915 3.721 -1.910 923 H GLU 47 HN GLU 47 -6.561 3.145 -3.926 924 HA GLU 47 HA GLU 47 -5.473 0.565 -3.532 925 HB2 GLU 47 HB2 GLU 47 -4.665 2.777 -5.422 926 HB3 GLU 47 HB1 GLU 47 -3.959 1.169 -5.448 927 HG2 GLU 47 HG2 GLU 47 -6.275 0.272 -5.808 928 HG3 GLU 47 HG1 GLU 47 -6.800 1.941 -6.035 929 H ALA 48 HN ALA 48 -4.202 3.815 -3.026 930 HA ALA 48 HA ALA 48 -1.535 3.212 -2.528 931 HB1 ALA 48 HB1 ALA 48 -1.434 5.330 -1.324 932 HB2 ALA 48 HB2 ALA 48 -3.197 5.382 -1.251 933 HB3 ALA 48 HB3 ALA 48 -2.374 5.489 -2.808 934 H GLU 49 HN GLU 49 -4.273 3.297 -0.269 935 HA GLU 49 HA GLU 49 -2.994 2.794 2.135 936 HB2 GLU 49 HB2 GLU 49 -5.559 1.430 1.320 937 HB3 GLU 49 HB1 GLU 49 -5.056 1.891 2.937 938 HG2 GLU 49 HG2 GLU 49 -5.400 4.202 2.455 939 HG3 GLU 49 HG1 GLU 49 -5.687 3.852 0.749 940 H LYS 50 HN LYS 50 -4.033 0.532 -0.350 941 HA LYS 50 HA LYS 50 -3.339 -1.776 1.248 942 HB2 LYS 50 HB2 LYS 50 -4.189 -1.856 -1.635 943 HB3 LYS 50 HB1 LYS 50 -4.495 -3.031 -0.361 944 HG2 LYS 50 HG2 LYS 50 -6.023 -1.446 0.722 945 HG3 LYS 50 HG1 LYS 50 -5.732 -0.292 -0.578 946 HD2 LYS 50 HD2 LYS 50 -6.518 -2.201 -2.131 947 HD3 LYS 50 HD1 LYS 50 -7.193 -2.906 -0.661 948 HE2 LYS 50 HE2 LYS 50 -7.842 -0.228 -1.884 949 HE3 LYS 50 HE1 LYS 50 -8.908 -1.621 -1.731 950 HZ1 LYS 50 HZ1 LYS 50 -7.851 0.046 0.490 951 HZ2 LYS 50 HZ2 LYS 50 -8.777 -1.359 0.699 952 HZ3 LYS 50 HZ3 LYS 50 -9.454 -0.005 -0.064 953 H ALA 51 HN ALA 51 -1.854 0.202 -1.105 954 HA ALA 51 HA ALA 51 0.013 -1.808 -2.029 955 HB1 ALA 51 HB1 ALA 51 -0.033 1.170 -2.509 956 HB2 ALA 51 HB2 ALA 51 -0.746 -0.058 -3.556 957 HB3 ALA 51 HB3 ALA 51 1.002 0.003 -3.332 958 H GLY 52 HN GLY 52 -0.104 0.751 0.347 959 HA2 GLY 52 HA2 GLY 52 1.405 0.329 2.283 960 HA3 GLY 52 HA1 GLY 52 2.678 0.078 1.098 961 H VAL 53 HN VAL 53 0.862 2.461 -0.156 962 HA VAL 53 HA VAL 53 2.742 4.511 0.628 963 HB VAL 53 HB VAL 53 0.283 4.799 -1.106 964 HG11 VAL 53 HG11 VAL 53 1.460 6.742 -2.026 965 HG12 VAL 53 HG12 VAL 53 2.779 6.478 -0.887 966 HG13 VAL 53 HG13 VAL 53 1.176 6.912 -0.294 967 HG21 VAL 53 HG21 VAL 53 3.111 4.172 -1.942 968 HG22 VAL 53 HG22 VAL 53 1.754 4.487 -3.026 969 HG23 VAL 53 HG23 VAL 53 1.745 3.057 -1.994 970 H LYS 54 HN LYS 54 2.457 5.399 2.582 971 HA LYS 54 HA LYS 54 -0.293 5.679 3.572 972 HB2 LYS 54 HB2 LYS 54 2.276 5.653 5.164 973 HB3 LYS 54 HB1 LYS 54 0.636 5.604 5.807 974 HG2 LYS 54 HG2 LYS 54 0.277 3.442 4.729 975 HG3 LYS 54 HG1 LYS 54 1.917 3.489 4.085 976 HD2 LYS 54 HD2 LYS 54 2.716 3.642 6.475 977 HD3 LYS 54 HD1 LYS 54 1.056 3.276 6.959 978 HE2 LYS 54 HE2 LYS 54 1.139 1.192 5.685 979 HE3 LYS 54 HE1 LYS 54 2.789 1.557 5.185 980 HZ1 LYS 54 HZ1 LYS 54 2.938 0.061 6.974 981 HZ2 LYS 54 HZ2 LYS 54 1.813 0.920 7.909 982 HZ3 LYS 54 HZ3 LYS 54 3.352 1.577 7.617 983 H SER 55 HN SER 55 2.243 7.496 2.341 984 HA SER 55 HA SER 55 0.727 9.896 2.980 985 HB2 SER 55 HB2 SER 55 3.713 9.726 3.473 986 HB3 SER 55 HB1 SER 55 2.709 11.164 3.662 987 HG SER 55 HG SER 55 1.704 9.075 5.059 988 H VAL 56 HN VAL 56 0.816 11.446 1.359 989 HA VAL 56 HA VAL 56 2.097 10.711 -1.110 990 HB VAL 56 HB VAL 56 1.293 12.963 -1.921 991 HG11 VAL 56 HG11 VAL 56 -0.760 11.089 -0.761 992 HG12 VAL 56 HG12 VAL 56 0.056 10.907 -2.314 993 HG13 VAL 56 HG13 VAL 56 -1.041 12.262 -2.048 994 HG21 VAL 56 HG21 VAL 56 -0.075 13.009 0.761 995 HG22 VAL 56 HG22 VAL 56 -0.387 14.116 -0.576 996 HG23 VAL 56 HG23 VAL 56 1.188 14.115 0.219 997 HA PRO 57 HA PRO 57 5.214 12.939 -2.770 998 HB2 PRO 57 HB2 PRO 57 5.717 14.444 -0.212 999 HB3 PRO 57 HB1 PRO 57 6.399 14.738 -1.823 1000 HG2 PRO 57 HG2 PRO 57 4.019 15.871 -0.865 1001 HG3 PRO 57 HG1 PRO 57 4.487 15.763 -2.571 1002 HD2 PRO 57 HD2 PRO 57 2.265 14.477 -1.410 1003 HD3 PRO 57 HD1 PRO 57 3.012 14.028 -2.965 1004 H ALA 58 HN ALA 58 5.426 10.755 -2.667 1005 HA ALA 58 HA ALA 58 7.612 9.846 -0.989 1006 HB1 ALA 58 HB1 ALA 58 6.469 7.795 -0.332 1007 HB2 ALA 58 HB2 ALA 58 4.999 8.339 -1.141 1008 HB3 ALA 58 HB3 ALA 58 5.599 9.204 0.273 1009 H LEU 59 HN LEU 59 8.556 7.835 -1.848 1010 HA LEU 59 HA LEU 59 7.922 7.442 -4.702 1011 HB2 LEU 59 HB2 LEU 59 9.956 8.763 -4.471 1012 HB3 LEU 59 HB1 LEU 59 10.637 7.566 -3.388 1013 HG LEU 59 HG LEU 59 10.658 5.930 -5.254 1014 HD11 LEU 59 HD11 LEU 59 9.791 8.304 -6.896 1015 HD12 LEU 59 HD12 LEU 59 8.865 6.831 -6.608 1016 HD13 LEU 59 HD13 LEU 59 10.357 6.766 -7.544 1017 HD21 LEU 59 HD21 LEU 59 12.530 6.955 -6.456 1018 HD22 LEU 59 HD22 LEU 59 12.647 7.220 -4.716 1019 HD23 LEU 59 HD23 LEU 59 12.105 8.524 -5.772 1020 H VAL 60 HN VAL 60 7.332 5.428 -5.125 1021 HA VAL 60 HA VAL 60 8.046 3.288 -3.261 1022 HB VAL 60 HB VAL 60 6.160 3.200 -5.626 1023 HG11 VAL 60 HG11 VAL 60 5.311 1.150 -4.566 1024 HG12 VAL 60 HG12 VAL 60 6.574 1.274 -3.341 1025 HG13 VAL 60 HG13 VAL 60 7.007 1.005 -5.030 1026 HG21 VAL 60 HG21 VAL 60 4.362 3.327 -3.965 1027 HG22 VAL 60 HG22 VAL 60 5.368 4.775 -3.953 1028 HG23 VAL 60 HG23 VAL 60 5.561 3.557 -2.692 1029 H ILE 61 HN ILE 61 10.036 2.538 -3.693 1030 HA ILE 61 HA ILE 61 10.929 2.307 -6.461 1031 HB ILE 61 HB ILE 61 12.461 1.873 -3.890 1032 HG12 ILE 61 HG12 ILE 61 12.470 4.197 -5.834 1033 HG13 ILE 61 HG11 ILE 61 11.750 4.209 -4.227 1034 HG21 ILE 61 HG21 ILE 61 14.459 1.939 -5.324 1035 HG22 ILE 61 HG22 ILE 61 13.421 2.005 -6.748 1036 HG23 ILE 61 HG23 ILE 61 13.405 0.579 -5.712 1037 HD11 ILE 61 HD11 ILE 61 13.953 3.893 -3.236 1038 HD12 ILE 61 HD12 ILE 61 13.900 5.334 -4.249 1039 HD13 ILE 61 HD13 ILE 61 14.674 3.866 -4.844 1040 H ASP 62 HN ASP 62 10.297 0.533 -7.443 1041 HA ASP 62 HA ASP 62 10.330 -1.625 -8.109 1042 HB2 ASP 62 HB2 ASP 62 12.594 -1.716 -7.047 1043 HB3 ASP 62 HB1 ASP 62 11.826 -2.290 -5.569 1044 H GLY 63 HN GLY 63 9.269 -0.866 -4.909 1045 HA2 GLY 63 HA2 GLY 63 6.801 -2.027 -5.017 1046 HA3 GLY 63 HA1 GLY 63 7.853 -3.319 -4.454 1047 H ALA 64 HN ALA 64 9.594 -1.245 -3.136 1048 HA ALA 64 HA ALA 64 8.049 -1.072 -0.670 1049 HB1 ALA 64 HB1 ALA 64 10.966 -0.486 -1.170 1050 HB2 ALA 64 HB2 ALA 64 10.310 -2.011 -0.574 1051 HB3 ALA 64 HB3 ALA 64 10.171 -0.549 0.403 1052 H ALA 65 HN ALA 65 7.219 0.762 0.103 1053 HA ALA 65 HA ALA 65 7.505 3.175 -1.495 1054 HB1 ALA 65 HB1 ALA 65 5.271 2.419 -0.820 1055 HB2 ALA 65 HB2 ALA 65 5.636 4.027 -0.195 1056 HB3 ALA 65 HB3 ALA 65 5.718 2.627 0.873 1057 H PHE 66 HN PHE 66 8.927 4.697 -1.025 1058 HA PHE 66 HA PHE 66 9.746 5.047 1.786 1059 HB2 PHE 66 HB2 PHE 66 11.315 5.652 -0.732 1060 HB3 PHE 66 HB1 PHE 66 11.863 5.984 0.907 1061 HD1 PHE 66 HD1 PHE 66 12.339 4.095 2.448 1062 HD2 PHE 66 HD2 PHE 66 11.507 3.500 -1.683 1063 HE1 PHE 66 HE1 PHE 66 13.310 1.839 2.581 1064 HE2 PHE 66 HE2 PHE 66 12.476 1.241 -1.556 1065 HZ PHE 66 HZ PHE 66 13.378 0.409 0.579 1066 H HIS 67 HN HIS 67 8.850 6.796 2.646 1067 HA HIS 67 HA HIS 67 7.725 8.876 1.020 1068 HB2 HIS 67 HB2 HIS 67 8.087 8.754 4.027 1069 HB3 HIS 67 HB1 HIS 67 7.056 9.885 3.156 1070 HD1 HIS 67 HD1 HIS 67 7.117 6.442 4.538 1071 HD2 HIS 67 HD2 HIS 67 4.739 8.704 1.984 1072 HE1 HIS 67 HE1 HIS 67 4.933 5.186 4.298 1073 H ILE 68 HN ILE 68 8.596 10.833 0.499 1074 HA ILE 68 HA ILE 68 11.337 11.310 1.495 1075 HB ILE 68 HB ILE 68 10.242 11.979 -1.244 1076 HG12 ILE 68 HG12 ILE 68 12.277 9.904 -0.393 1077 HG13 ILE 68 HG11 ILE 68 10.629 9.564 -0.906 1078 HG21 ILE 68 HG21 ILE 68 13.015 12.318 -0.103 1079 HG22 ILE 68 HG22 ILE 68 11.881 13.613 -0.485 1080 HG23 ILE 68 HG23 ILE 68 12.550 12.618 -1.778 1081 HD11 ILE 68 HD11 ILE 68 12.216 9.124 -2.684 1082 HD12 ILE 68 HD12 ILE 68 12.788 10.790 -2.603 1083 HD13 ILE 68 HD13 ILE 68 11.138 10.450 -3.121 1084 H ASN 69 HN ASN 69 11.179 12.882 2.945 1085 HA ASN 69 HA ASN 69 10.496 14.718 4.074 1086 HB2 ASN 69 HB2 ASN 69 10.341 15.703 1.249 1087 HB3 ASN 69 HB1 ASN 69 9.699 16.705 2.545 1088 HD21 ASN 69 HD21 ASN 69 11.944 17.219 0.800 1089 HD22 ASN 69 HD22 ASN 69 13.329 17.423 1.822 1090 H PHE 70 HN PHE 70 8.807 14.097 5.207 1091 HA PHE 70 HA PHE 70 6.492 12.944 4.456 1092 HB2 PHE 70 HB2 PHE 70 7.181 13.150 6.787 1093 HB3 PHE 70 HB1 PHE 70 6.845 14.876 6.757 1094 HD1 PHE 70 HD1 PHE 70 5.221 11.555 6.376 1095 HD2 PHE 70 HD2 PHE 70 4.741 15.673 7.340 1096 HE1 PHE 70 HE1 PHE 70 2.915 11.113 7.109 1097 HE2 PHE 70 HE2 PHE 70 2.434 15.236 8.074 1098 HZ PHE 70 HZ PHE 70 1.518 12.954 7.959 1099 H GLY 71 HN GLY 71 5.360 13.630 2.753 1100 HA2 GLY 71 HA2 GLY 71 4.608 16.371 2.385 1101 HA3 GLY 71 HA1 GLY 71 4.054 14.995 1.436 1102 H ALA 72 HN ALA 72 2.243 13.806 2.117 1103 HA ALA 72 HA ALA 72 0.811 14.928 4.426 1104 HB1 ALA 72 HB1 ALA 72 -0.514 14.678 1.733 1105 HB2 ALA 72 HB2 ALA 72 -0.011 16.188 2.491 1106 HB3 ALA 72 HB3 ALA 72 -1.274 15.207 3.234 1107 H GLY 73 HN GLY 73 0.135 13.361 5.693 1108 HA2 GLY 73 HA2 GLY 73 0.332 10.632 4.912 1109 HA3 GLY 73 HA1 GLY 73 -0.302 11.232 6.438 1110 H ILE 74 HN ILE 74 -1.337 9.047 4.955 1111 HA ILE 74 HA ILE 74 -3.587 9.607 3.413 1112 HB ILE 74 HB ILE 74 -3.010 7.320 5.293 1113 HG12 ILE 74 HG12 ILE 74 -1.569 7.459 3.331 1114 HG13 ILE 74 HG11 ILE 74 -2.645 6.072 3.202 1115 HG21 ILE 74 HG21 ILE 74 -4.859 6.099 4.272 1116 HG22 ILE 74 HG22 ILE 74 -5.316 7.544 3.367 1117 HG23 ILE 74 HG23 ILE 74 -5.426 7.533 5.128 1118 HD11 ILE 74 HD11 ILE 74 -3.014 8.716 1.812 1119 HD12 ILE 74 HD12 ILE 74 -4.071 7.312 1.665 1120 HD13 ILE 74 HD13 ILE 74 -2.409 7.231 1.077 1121 H ASP 75 HN ASP 75 -3.224 9.437 6.927 1122 HA ASP 75 HA ASP 75 -5.956 9.719 7.574 1123 HB2 ASP 75 HB2 ASP 75 -3.390 10.102 9.042 1124 HB3 ASP 75 HB1 ASP 75 -4.860 10.756 9.754 1125 H ASP 76 HN ASP 76 -3.529 12.035 6.664 1126 HA ASP 76 HA ASP 76 -4.960 14.328 7.644 1127 HB2 ASP 76 HB2 ASP 76 -2.486 14.304 7.381 1128 HB3 ASP 76 HB1 ASP 76 -2.698 14.212 5.635 1129 H LEU 77 HN LEU 77 -4.440 12.816 4.488 1130 HA LEU 77 HA LEU 77 -6.013 14.706 3.038 1131 HB2 LEU 77 HB2 LEU 77 -5.154 11.903 2.315 1132 HB3 LEU 77 HB1 LEU 77 -5.881 13.043 1.204 1133 HG LEU 77 HG LEU 77 -3.228 13.453 2.586 1134 HD11 LEU 77 HD11 LEU 77 -3.130 11.604 1.005 1135 HD12 LEU 77 HD12 LEU 77 -2.252 13.004 0.388 1136 HD13 LEU 77 HD13 LEU 77 -3.854 12.618 -0.243 1137 HD21 LEU 77 HD21 LEU 77 -4.356 15.540 2.034 1138 HD22 LEU 77 HD22 LEU 77 -4.600 14.985 0.379 1139 HD23 LEU 77 HD23 LEU 77 -2.968 15.285 0.977 1140 H LYS 78 HN LYS 78 -6.653 11.702 4.677 1141 HA LYS 78 HA LYS 78 -9.218 11.245 3.489 1142 HB2 LYS 78 HB2 LYS 78 -7.717 9.474 4.459 1143 HB3 LYS 78 HB1 LYS 78 -8.105 10.097 6.054 1144 HG2 LYS 78 HG2 LYS 78 -9.441 8.163 5.625 1145 HG3 LYS 78 HG1 LYS 78 -10.487 9.585 5.624 1146 HD2 LYS 78 HD2 LYS 78 -10.678 9.564 3.270 1147 HD3 LYS 78 HD1 LYS 78 -9.341 8.427 3.096 1148 HE2 LYS 78 HE2 LYS 78 -11.499 7.335 2.737 1149 HE3 LYS 78 HE1 LYS 78 -10.666 6.678 4.145 1150 HZ1 LYS 78 HZ1 LYS 78 -12.979 7.000 4.641 1151 HZ2 LYS 78 HZ2 LYS 78 -12.908 8.629 4.173 1152 HZ3 LYS 78 HZ3 LYS 78 -12.069 8.106 5.552 1153 H GLY 79 HN GLY 79 -8.093 12.471 6.638 1154 HA2 GLY 79 HA2 GLY 79 -9.149 13.907 8.117 1155 HA3 GLY 79 HA1 GLY 79 -10.467 14.067 6.964 1156 H SER 80 HN SER 80 -11.668 11.865 6.691 1157 HA SER 80 HA SER 80 -11.826 10.265 9.087 1158 HB2 SER 80 HB2 SER 80 -14.314 10.617 9.282 1159 HB3 SER 80 HB1 SER 80 -13.349 12.024 9.730 1160 HG SER 80 HG SER 80 -14.354 11.687 7.112 Start of MODEL 9 1 H1 VAL 1 HT1 VAL 1 25.002 18.816 -12.909 2 H2 VAL 1 HT2 VAL 1 26.413 18.339 -12.099 3 H3 VAL 1 HT3 VAL 1 24.915 18.270 -11.307 4 HA VAL 1 HA VAL 1 24.147 16.575 -12.827 5 HB VAL 1 HB VAL 1 26.971 16.635 -13.914 6 HG11 VAL 1 HG11 VAL 1 24.599 14.940 -14.693 7 HG12 VAL 1 HG12 VAL 1 26.032 14.385 -13.829 8 HG13 VAL 1 HG13 VAL 1 26.169 14.947 -15.495 9 HG21 VAL 1 HG21 VAL 1 25.669 18.522 -14.734 10 HG22 VAL 1 HG22 VAL 1 24.375 17.431 -15.228 11 HG23 VAL 1 HG23 VAL 1 25.947 17.350 -16.020 12 H ALA 2 HN ALA 2 27.611 16.429 -11.977 13 HA ALA 2 HA ALA 2 26.993 14.127 -10.253 14 HB1 ALA 2 HB1 ALA 2 29.654 15.001 -11.382 15 HB2 ALA 2 HB2 ALA 2 28.637 13.714 -12.029 16 HB3 ALA 2 HB3 ALA 2 29.355 13.550 -10.426 17 H SER 3 HN SER 3 26.148 16.078 -8.923 18 HA SER 3 HA SER 3 28.224 17.538 -7.528 19 HB2 SER 3 HB2 SER 3 26.207 18.557 -6.348 20 HB3 SER 3 HB1 SER 3 26.324 18.847 -8.084 21 HG SER 3 HG SER 3 24.235 18.220 -7.613 22 H LYS 4 HN LYS 4 27.586 17.790 -5.033 23 HA LYS 4 HA LYS 4 28.055 15.164 -3.946 24 HB2 LYS 4 HB2 LYS 4 29.361 17.026 -3.108 25 HB3 LYS 4 HB1 LYS 4 27.899 17.875 -2.624 26 HG2 LYS 4 HG2 LYS 4 27.419 16.220 -0.959 27 HG3 LYS 4 HG1 LYS 4 28.768 15.222 -1.504 28 HD2 LYS 4 HD2 LYS 4 30.310 17.074 -0.884 29 HD3 LYS 4 HD1 LYS 4 28.925 17.944 -0.217 30 HE2 LYS 4 HE2 LYS 4 28.506 16.107 1.330 31 HE3 LYS 4 HE1 LYS 4 29.869 15.218 0.655 32 HZ1 LYS 4 HZ1 LYS 4 30.565 16.252 2.654 33 HZ2 LYS 4 HZ2 LYS 4 29.966 17.763 2.174 34 HZ3 LYS 4 HZ3 LYS 4 31.303 17.091 1.375 35 H ALA 5 HN ALA 5 26.700 13.910 -2.888 36 HA ALA 5 HA ALA 5 24.111 15.012 -2.004 37 HB1 ALA 5 HB1 ALA 5 23.142 12.790 -2.374 38 HB2 ALA 5 HB2 ALA 5 24.695 12.211 -2.978 39 HB3 ALA 5 HB3 ALA 5 23.809 13.450 -3.869 40 H ILE 6 HN ILE 6 24.141 15.175 0.157 41 HA ILE 6 HA ILE 6 26.029 13.481 1.643 42 HB ILE 6 HB ILE 6 24.623 15.735 2.986 43 HG12 ILE 6 HG12 ILE 6 26.937 16.169 1.078 44 HG13 ILE 6 HG11 ILE 6 25.273 16.640 0.748 45 HG21 ILE 6 HG21 ILE 6 26.807 15.967 4.074 46 HG22 ILE 6 HG22 ILE 6 27.462 14.710 3.025 47 HG23 ILE 6 HG23 ILE 6 26.198 14.315 4.192 48 HD11 ILE 6 HD11 ILE 6 25.327 18.174 2.640 49 HD12 ILE 6 HD12 ILE 6 26.608 18.532 1.481 50 HD13 ILE 6 HD13 ILE 6 26.988 17.693 2.985 51 H PHE 7 HN PHE 7 25.202 11.749 2.609 52 HA PHE 7 HA PHE 7 22.357 11.764 3.332 53 HB2 PHE 7 HB2 PHE 7 23.150 9.963 1.826 54 HB3 PHE 7 HB1 PHE 7 24.257 9.422 3.081 55 HD1 PHE 7 HD1 PHE 7 20.622 10.231 2.763 56 HD2 PHE 7 HD2 PHE 7 23.594 7.584 4.269 57 HE1 PHE 7 HE1 PHE 7 18.860 8.772 3.668 58 HE2 PHE 7 HE2 PHE 7 21.837 6.121 5.177 59 HZ PHE 7 HZ PHE 7 19.466 6.714 4.876 60 H TYR 8 HN TYR 8 22.028 12.419 5.343 61 HA TYR 8 HA TYR 8 23.915 11.637 7.454 62 HB2 TYR 8 HB2 TYR 8 21.721 13.714 7.363 63 HB3 TYR 8 HB1 TYR 8 22.569 13.280 8.841 64 HD1 TYR 8 HD2 TYR 8 24.929 13.867 9.134 65 HD2 TYR 8 HD1 TYR 8 22.772 15.087 5.677 66 HE1 TYR 8 HE2 TYR 8 26.673 15.526 8.641 67 HE2 TYR 8 HE1 TYR 8 24.512 16.752 5.175 68 HH TYR 8 HH TYR 8 26.272 17.974 6.269 69 H HIS 9 HN HIS 9 23.400 10.034 8.822 70 HA HIS 9 HA HIS 9 20.623 9.587 9.520 71 HB2 HIS 9 HB2 HIS 9 20.506 7.297 8.867 72 HB3 HIS 9 HB1 HIS 9 21.029 8.212 7.461 73 HD2 HIS 9 HD2 HIS 9 23.884 7.944 6.941 74 HE1 HIS 9 HE1 HIS 9 23.973 4.186 8.877 75 HE2 HIS 9 HE2 HIS 9 25.059 5.633 7.108 76 H ALA 10 HN ALA 10 20.688 7.359 10.969 77 HA ALA 10 HA ALA 10 22.868 7.801 12.900 78 HB1 ALA 10 HB1 ALA 10 19.959 7.389 13.573 79 HB2 ALA 10 HB2 ALA 10 20.829 8.921 13.660 80 HB3 ALA 10 HB3 ALA 10 21.278 7.590 14.726 81 H GLY 11 HN GLY 11 22.089 5.656 10.797 82 HA2 GLY 11 HA2 GLY 11 22.722 3.434 10.663 83 HA3 GLY 11 HA1 GLY 11 23.077 3.465 12.383 84 H CYS 12 HN CYS 12 19.970 4.565 11.559 85 HA CYS 12 HA CYS 12 18.736 2.403 12.967 86 HB2 CYS 12 HB2 CYS 12 17.404 4.584 11.348 87 HB3 CYS 12 HB1 CYS 12 16.683 3.625 12.637 88 HG CYS 12 HG CYS 12 18.982 4.806 14.302 89 HA PRO 13 HA PRO 13 17.713 -0.474 9.747 90 HB2 PRO 13 HB2 PRO 13 14.973 -0.759 10.234 91 HB3 PRO 13 HB1 PRO 13 16.262 -1.698 10.991 92 HG2 PRO 13 HG2 PRO 13 14.789 0.681 12.024 93 HG3 PRO 13 HG1 PRO 13 15.375 -0.746 12.898 94 HD2 PRO 13 HD2 PRO 13 16.651 1.596 13.065 95 HD3 PRO 13 HD1 PRO 13 17.552 0.065 13.010 96 H VAL 14 HN VAL 14 15.549 2.272 10.194 97 HA VAL 14 HA VAL 14 14.316 2.276 7.676 98 HB VAL 14 HB VAL 14 14.989 4.666 9.405 99 HG11 VAL 14 HG11 VAL 14 12.883 4.311 7.278 100 HG12 VAL 14 HG12 VAL 14 14.337 5.301 7.152 101 HG13 VAL 14 HG13 VAL 14 13.075 5.729 8.309 102 HG21 VAL 14 HG21 VAL 14 12.741 4.389 10.342 103 HG22 VAL 14 HG22 VAL 14 13.762 2.988 10.668 104 HG23 VAL 14 HG23 VAL 14 12.537 2.910 9.401 105 H CYS 15 HN CYS 15 17.350 3.628 8.814 106 HA CYS 15 HA CYS 15 17.962 5.114 6.473 107 HB2 CYS 15 HB2 CYS 15 19.926 4.030 8.496 108 HB3 CYS 15 HB1 CYS 15 20.109 5.453 7.474 109 HG CYS 15 HG CYS 15 17.835 6.706 8.829 110 H VAL 16 HN VAL 16 18.607 1.842 7.565 111 HA VAL 16 HA VAL 16 20.511 1.069 5.663 112 HB VAL 16 HB VAL 16 18.356 -0.687 6.855 113 HG11 VAL 16 HG11 VAL 16 21.087 -1.356 5.763 114 HG12 VAL 16 HG12 VAL 16 19.540 -1.732 5.004 115 HG13 VAL 16 HG13 VAL 16 19.981 -2.494 6.533 116 HG21 VAL 16 HG21 VAL 16 21.083 -0.009 7.947 117 HG22 VAL 16 HG22 VAL 16 19.961 -1.188 8.627 118 HG23 VAL 16 HG23 VAL 16 19.535 0.524 8.606 119 H SER 17 HN SER 17 16.971 0.826 5.603 120 HA SER 17 HA SER 17 16.713 -0.351 3.081 121 HB2 SER 17 HB2 SER 17 14.882 -0.150 4.760 122 HB3 SER 17 HB1 SER 17 14.796 1.577 4.422 123 HG SER 17 HG SER 17 14.588 -0.227 2.279 124 H ALA 18 HN ALA 18 16.816 3.059 4.050 125 HA ALA 18 HA ALA 18 16.398 4.180 1.512 126 HB1 ALA 18 HB1 ALA 18 16.233 5.459 3.596 127 HB2 ALA 18 HB2 ALA 18 17.328 6.226 2.446 128 HB3 ALA 18 HB3 ALA 18 17.978 5.322 3.814 129 H GLU 19 HN GLU 19 19.360 3.189 3.167 130 HA GLU 19 HA GLU 19 21.158 4.183 1.222 131 HB2 GLU 19 HB2 GLU 19 21.839 3.625 3.514 132 HB3 GLU 19 HB1 GLU 19 21.510 1.927 3.204 133 HG2 GLU 19 HG2 GLU 19 23.244 1.993 1.414 134 HG3 GLU 19 HG1 GLU 19 23.641 3.628 1.941 135 H GLN 20 HN GLN 20 19.772 0.948 1.747 136 HA GLN 20 HA GLN 20 21.303 -0.176 -0.403 137 HB2 GLN 20 HB2 GLN 20 19.080 -1.318 1.285 138 HB3 GLN 20 HB1 GLN 20 19.976 -2.239 0.083 139 HG2 GLN 20 HG2 GLN 20 22.046 -1.833 1.309 140 HG3 GLN 20 HG1 GLN 20 21.153 -0.904 2.512 141 HE21 GLN 20 HE21 GLN 20 22.762 -3.323 2.805 142 HE22 GLN 20 HE22 GLN 20 21.721 -4.504 3.515 143 H ALA 21 HN ALA 21 18.424 1.588 -0.368 144 HA ALA 21 HA ALA 21 17.679 0.408 -2.967 145 HB1 ALA 21 HB1 ALA 21 15.379 1.020 -2.555 146 HB2 ALA 21 HB2 ALA 21 15.825 1.757 -1.016 147 HB3 ALA 21 HB3 ALA 21 15.984 0.015 -1.239 148 H VAL 22 HN VAL 22 17.370 3.485 -1.152 149 HA VAL 22 HA VAL 22 16.896 5.002 -3.512 150 HB VAL 22 HB VAL 22 17.814 6.017 -0.814 151 HG11 VAL 22 HG11 VAL 22 16.434 7.423 -3.100 152 HG12 VAL 22 HG12 VAL 22 18.107 7.654 -2.592 153 HG13 VAL 22 HG13 VAL 22 16.786 8.130 -1.523 154 HG21 VAL 22 HG21 VAL 22 15.022 5.647 -1.896 155 HG22 VAL 22 HG22 VAL 22 15.438 6.426 -0.370 156 HG23 VAL 22 HG23 VAL 22 15.770 4.710 -0.604 157 H ALA 23 HN ALA 23 19.753 4.597 -1.424 158 HA ALA 23 HA ALA 23 21.430 6.184 -3.128 159 HB1 ALA 23 HB1 ALA 23 22.204 4.258 -0.939 160 HB2 ALA 23 HB2 ALA 23 21.877 5.978 -0.729 161 HB3 ALA 23 HB3 ALA 23 23.258 5.455 -1.694 162 H ASN 24 HN ASN 24 20.123 3.175 -3.469 163 HA ASN 24 HA ASN 24 22.301 2.050 -5.032 164 HB2 ASN 24 HB2 ASN 24 20.806 0.586 -3.670 165 HB3 ASN 24 HB1 ASN 24 19.454 1.070 -4.686 166 HD21 ASN 24 HD21 ASN 24 22.325 -0.823 -4.452 167 HD22 ASN 24 HD22 ASN 24 22.098 -1.739 -5.903 168 H ALA 25 HN ALA 25 19.209 3.635 -5.418 169 HA ALA 25 HA ALA 25 19.127 3.427 -8.270 170 HB1 ALA 25 HB1 ALA 25 17.632 5.297 -6.432 171 HB2 ALA 25 HB2 ALA 25 17.092 3.692 -6.925 172 HB3 ALA 25 HB3 ALA 25 17.254 4.975 -8.125 173 H ILE 26 HN ILE 26 20.293 5.774 -5.939 174 HA ILE 26 HA ILE 26 21.139 7.588 -8.061 175 HB ILE 26 HB ILE 26 21.575 7.840 -5.076 176 HG12 ILE 26 HG12 ILE 26 19.450 9.134 -6.803 177 HG13 ILE 26 HG11 ILE 26 19.166 7.786 -5.707 178 HG21 ILE 26 HG21 ILE 26 23.139 9.152 -6.404 179 HG22 ILE 26 HG22 ILE 26 21.986 10.206 -5.584 180 HG23 ILE 26 HG23 ILE 26 21.798 9.864 -7.303 181 HD11 ILE 26 HD11 ILE 26 19.803 9.193 -3.817 182 HD12 ILE 26 HD12 ILE 26 18.458 9.886 -4.724 183 HD13 ILE 26 HD13 ILE 26 20.084 10.541 -4.919 184 H ASP 27 HN ASP 27 22.775 6.558 -9.124 185 HA ASP 27 HA ASP 27 24.729 4.929 -7.958 186 HB2 ASP 27 HB2 ASP 27 24.735 6.452 -10.564 187 HB3 ASP 27 HB1 ASP 27 26.019 5.342 -10.095 188 HA PRO 28 HA PRO 28 27.520 7.827 -6.083 189 HB2 PRO 28 HB2 PRO 28 29.566 5.747 -6.527 190 HB3 PRO 28 HB1 PRO 28 28.999 6.459 -5.013 191 HG2 PRO 28 HG2 PRO 28 28.364 3.948 -5.699 192 HG3 PRO 28 HG1 PRO 28 27.220 4.993 -4.835 193 HD2 PRO 28 HD2 PRO 28 27.313 4.279 -7.743 194 HD3 PRO 28 HD1 PRO 28 25.910 4.419 -6.662 195 H SER 29 HN SER 29 27.937 6.391 -9.192 196 HA SER 29 HA SER 29 30.137 8.144 -9.914 197 HB2 SER 29 HB2 SER 29 28.530 6.213 -11.608 198 HB3 SER 29 HB1 SER 29 30.002 7.047 -12.111 199 HG SER 29 HG SER 29 31.157 5.652 -11.043 200 H LYS 30 HN LYS 30 26.721 8.140 -9.928 201 HA LYS 30 HA LYS 30 26.503 10.159 -12.010 202 HB2 LYS 30 HB2 LYS 30 24.806 8.318 -11.723 203 HB3 LYS 30 HB1 LYS 30 24.339 9.061 -10.202 204 HG2 LYS 30 HG2 LYS 30 23.673 11.090 -11.398 205 HG3 LYS 30 HG1 LYS 30 24.134 10.332 -12.925 206 HD2 LYS 30 HD2 LYS 30 22.460 8.600 -12.598 207 HD3 LYS 30 HD1 LYS 30 22.032 9.281 -11.029 208 HE2 LYS 30 HE2 LYS 30 20.386 10.019 -12.566 209 HE3 LYS 30 HE1 LYS 30 21.424 11.402 -12.229 210 HZ1 LYS 30 HZ1 LYS 30 22.656 10.630 -14.345 211 HZ2 LYS 30 HZ2 LYS 30 21.198 11.473 -14.502 212 HZ3 LYS 30 HZ3 LYS 30 21.224 9.789 -14.691 213 H TYR 31 HN TYR 31 26.063 9.812 -8.518 214 HA TYR 31 HA TYR 31 26.584 12.692 -8.246 215 HB2 TYR 31 HB2 TYR 31 24.428 11.097 -6.856 216 HB3 TYR 31 HB1 TYR 31 25.031 12.618 -6.211 217 HD1 TYR 31 HD2 TYR 31 23.168 11.058 -8.978 218 HD2 TYR 31 HD1 TYR 31 24.411 14.713 -7.193 219 HE1 TYR 31 HE2 TYR 31 21.581 12.284 -10.398 220 HE2 TYR 31 HE1 TYR 31 22.824 15.949 -8.606 221 HH TYR 31 HH TYR 31 20.405 14.373 -10.467 222 H THR 32 HN THR 32 27.786 13.267 -6.412 223 HA THR 32 HA THR 32 29.438 11.115 -5.388 224 HB THR 32 HB THR 32 29.573 14.056 -4.689 225 HG1 THR 32 HG1 THR 32 30.083 12.822 -7.022 226 HG21 THR 32 HG21 THR 32 31.905 13.554 -4.134 227 HG22 THR 32 HG22 THR 32 31.647 11.860 -4.550 228 HG23 THR 32 HG23 THR 32 30.805 12.567 -3.171 229 H VAL 33 HN VAL 33 28.132 9.936 -4.030 230 HA VAL 33 HA VAL 33 26.554 11.239 -1.994 231 HB VAL 33 HB VAL 33 27.028 8.282 -2.409 232 HG11 VAL 33 HG11 VAL 33 24.962 8.003 -1.122 233 HG12 VAL 33 HG12 VAL 33 24.885 9.747 -0.874 234 HG13 VAL 33 HG13 VAL 33 26.211 8.817 -0.179 235 HG21 VAL 33 HG21 VAL 33 24.862 8.284 -3.564 236 HG22 VAL 33 HG22 VAL 33 26.055 9.277 -4.402 237 HG23 VAL 33 HG23 VAL 33 24.799 10.041 -3.429 238 H GLU 34 HN GLU 34 27.424 11.922 -0.183 239 HA GLU 34 HA GLU 34 29.563 10.337 1.085 240 HB2 GLU 34 HB2 GLU 34 30.270 12.631 0.625 241 HB3 GLU 34 HB1 GLU 34 28.845 13.260 1.441 242 HG2 GLU 34 HG2 GLU 34 29.651 12.279 3.551 243 HG3 GLU 34 HG1 GLU 34 31.101 11.726 2.718 244 H ILE 35 HN ILE 35 28.871 9.130 2.722 245 HA ILE 35 HA ILE 35 26.332 9.826 3.998 246 HB ILE 35 HB ILE 35 27.889 7.236 4.109 247 HG12 ILE 35 HG12 ILE 35 25.360 7.963 2.608 248 HG13 ILE 35 HG11 ILE 35 26.942 7.712 1.881 249 HG21 ILE 35 HG21 ILE 35 26.573 7.598 6.119 250 HG22 ILE 35 HG22 ILE 35 25.863 6.318 5.137 251 HG23 ILE 35 HG23 ILE 35 25.143 7.928 5.142 252 HD11 ILE 35 HD11 ILE 35 26.897 5.379 2.592 253 HD12 ILE 35 HD12 ILE 35 25.510 5.777 1.578 254 HD13 ILE 35 HD13 ILE 35 25.314 5.633 3.324 255 H VAL 36 HN VAL 36 26.260 10.597 5.994 256 HA VAL 36 HA VAL 36 28.682 10.388 7.669 257 HB VAL 36 HB VAL 36 26.668 12.646 7.677 258 HG11 VAL 36 HG11 VAL 36 28.285 13.781 9.128 259 HG12 VAL 36 HG12 VAL 36 29.301 12.340 9.117 260 HG13 VAL 36 HG13 VAL 36 27.698 12.283 9.851 261 HG21 VAL 36 HG21 VAL 36 29.470 12.578 6.559 262 HG22 VAL 36 HG22 VAL 36 28.447 14.010 6.684 263 HG23 VAL 36 HG23 VAL 36 27.976 12.680 5.625 264 H HIS 37 HN HIS 37 28.439 9.505 9.626 265 HA HIS 37 HA HIS 37 25.749 8.661 10.408 266 HB2 HIS 37 HB2 HIS 37 27.805 7.103 10.268 267 HB3 HIS 37 HB1 HIS 37 28.317 7.867 11.768 268 HD2 HIS 37 HD2 HIS 37 26.118 5.049 10.549 269 HE1 HIS 37 HE1 HIS 37 25.117 5.732 14.600 270 HE2 HIS 37 HE2 HIS 37 25.062 4.055 12.700 271 H LEU 38 HN LEU 38 24.699 10.106 11.609 272 HA LEU 38 HA LEU 38 26.051 12.102 13.157 273 HB2 LEU 38 HB2 LEU 38 23.130 11.371 12.969 274 HB3 LEU 38 HB1 LEU 38 23.749 12.766 13.830 275 HG LEU 38 HG LEU 38 24.028 12.299 10.860 276 HD11 LEU 38 HD11 LEU 38 22.225 14.169 12.391 277 HD12 LEU 38 HD12 LEU 38 21.717 12.732 11.503 278 HD13 LEU 38 HD13 LEU 38 22.402 14.107 10.637 279 HD21 LEU 38 HD21 LEU 38 24.711 14.688 12.571 280 HD22 LEU 38 HD22 LEU 38 24.805 14.618 10.811 281 HD23 LEU 38 HD23 LEU 38 25.863 13.604 11.792 282 H GLY 39 HN GLY 39 24.970 8.932 13.789 283 HA2 GLY 39 HA2 GLY 39 24.538 9.359 16.627 284 HA3 GLY 39 HA1 GLY 39 24.416 7.830 15.770 285 H THR 40 HN THR 40 27.262 9.315 14.902 286 HA THR 40 HA THR 40 28.745 7.610 16.776 287 HB THR 40 HB THR 40 29.697 8.843 14.180 288 HG1 THR 40 HG1 THR 40 27.995 7.157 14.065 289 HG21 THR 40 HG21 THR 40 31.519 8.351 15.742 290 HG22 THR 40 HG22 THR 40 31.548 7.246 14.368 291 HG23 THR 40 HG23 THR 40 30.923 6.701 15.925 292 H ASP 41 HN ASP 41 28.261 10.926 15.835 293 HA ASP 41 HA ASP 41 30.344 11.762 17.720 294 HB2 ASP 41 HB2 ASP 41 31.431 11.843 15.571 295 HB3 ASP 41 HB1 ASP 41 30.074 12.717 14.866 296 H LYS 42 HN LYS 42 30.056 13.784 18.661 297 HA LYS 42 HA LYS 42 27.308 14.641 18.844 298 HB2 LYS 42 HB2 LYS 42 29.841 15.515 20.230 299 HB3 LYS 42 HB1 LYS 42 28.282 16.267 20.530 300 HG2 LYS 42 HG2 LYS 42 28.813 13.332 20.906 301 HG3 LYS 42 HG1 LYS 42 28.969 14.534 22.190 302 HD2 LYS 42 HD2 LYS 42 26.599 15.166 21.813 303 HD3 LYS 42 HD1 LYS 42 26.472 13.858 20.636 304 HE2 LYS 42 HE2 LYS 42 26.955 12.222 22.348 305 HE3 LYS 42 HE1 LYS 42 27.234 13.497 23.532 306 HZ1 LYS 42 HZ1 LYS 42 24.646 12.928 22.180 307 HZ2 LYS 42 HZ2 LYS 42 24.916 14.149 23.325 308 HZ3 LYS 42 HZ3 LYS 42 25.040 12.519 23.778 309 H ALA 43 HN ALA 43 30.329 15.929 17.555 310 HA ALA 43 HA ALA 43 29.455 18.604 17.269 311 HB1 ALA 43 HB1 ALA 43 31.434 18.910 15.880 312 HB2 ALA 43 HB2 ALA 43 31.650 17.162 15.787 313 HB3 ALA 43 HB3 ALA 43 31.820 17.991 17.335 314 H ARG 44 HN ARG 44 29.272 15.789 15.199 315 HA ARG 44 HA ARG 44 28.595 17.002 12.784 316 HB2 ARG 44 HB2 ARG 44 27.659 14.358 13.900 317 HB3 ARG 44 HB1 ARG 44 27.459 14.861 12.228 318 HG2 ARG 44 HG2 ARG 44 30.049 14.368 13.675 319 HG3 ARG 44 HG1 ARG 44 29.339 13.390 12.390 320 HD2 ARG 44 HD2 ARG 44 29.518 15.376 10.887 321 HD3 ARG 44 HD1 ARG 44 30.402 16.202 12.171 322 HE ARG 44 HE ARG 44 31.470 13.629 11.360 323 HH11 ARG 44 HH11 ARG 44 31.636 17.125 11.065 324 HH12 ARG 44 HH12 ARG 44 33.207 17.101 10.307 325 HH21 ARG 44 HH21 ARG 44 33.507 13.604 10.346 326 HH22 ARG 44 HH22 ARG 44 34.270 15.101 9.906 327 H ILE 45 HN ILE 45 26.643 16.443 15.632 328 HA ILE 45 HA ILE 45 24.091 16.805 14.483 329 HB ILE 45 HB ILE 45 25.021 17.450 17.290 330 HG12 ILE 45 HG12 ILE 45 23.656 14.985 16.184 331 HG13 ILE 45 HG11 ILE 45 25.354 15.093 16.638 332 HG21 ILE 45 HG21 ILE 45 22.228 17.102 16.206 333 HG22 ILE 45 HG22 ILE 45 22.947 18.605 16.784 334 HG23 ILE 45 HG23 ILE 45 22.648 17.280 17.910 335 HD11 ILE 45 HD11 ILE 45 24.712 15.504 18.951 336 HD12 ILE 45 HD12 ILE 45 24.042 13.985 18.354 337 HD13 ILE 45 HD13 ILE 45 23.011 15.409 18.498 338 H ALA 46 HN ALA 46 26.414 19.054 15.894 339 HA ALA 46 HA ALA 46 24.794 21.363 15.720 340 HB1 ALA 46 HB1 ALA 46 26.855 22.603 16.125 341 HB2 ALA 46 HB2 ALA 46 27.802 21.149 15.803 342 HB3 ALA 46 HB3 ALA 46 26.730 21.213 17.203 343 H GLU 47 HN GLU 47 27.020 19.813 13.497 344 HA GLU 47 HA GLU 47 26.991 21.908 11.556 345 HB2 GLU 47 HB2 GLU 47 27.658 18.975 11.234 346 HB3 GLU 47 HB1 GLU 47 27.996 20.234 10.054 347 HG2 GLU 47 HG2 GLU 47 29.454 21.337 11.725 348 HG3 GLU 47 HG1 GLU 47 29.184 19.969 12.805 349 H ALA 48 HN ALA 48 25.158 18.952 12.079 350 HA ALA 48 HA ALA 48 23.815 18.853 9.623 351 HB1 ALA 48 HB1 ALA 48 23.907 16.984 11.207 352 HB2 ALA 48 HB2 ALA 48 22.253 17.356 10.722 353 HB3 ALA 48 HB3 ALA 48 22.844 17.869 12.301 354 H GLU 49 HN GLU 49 22.932 20.447 12.674 355 HA GLU 49 HA GLU 49 20.393 21.333 11.805 356 HB2 GLU 49 HB2 GLU 49 22.218 22.437 13.943 357 HB3 GLU 49 HB1 GLU 49 20.563 22.971 13.686 358 HG2 GLU 49 HG2 GLU 49 19.859 20.581 14.044 359 HG3 GLU 49 HG1 GLU 49 21.511 20.265 14.573 360 H LYS 50 HN LYS 50 23.584 22.498 11.195 361 HA LYS 50 HA LYS 50 22.697 25.093 10.280 362 HB2 LYS 50 HB2 LYS 50 25.362 23.685 10.049 363 HB3 LYS 50 HB1 LYS 50 25.057 25.321 9.483 364 HG2 LYS 50 HG2 LYS 50 24.493 25.990 11.779 365 HG3 LYS 50 HG1 LYS 50 24.868 24.355 12.328 366 HD2 LYS 50 HD2 LYS 50 27.164 24.605 11.586 367 HD3 LYS 50 HD1 LYS 50 26.804 26.207 10.940 368 HE2 LYS 50 HE2 LYS 50 27.901 26.440 13.070 369 HE3 LYS 50 HE1 LYS 50 26.222 26.954 13.222 370 HZ1 LYS 50 HZ1 LYS 50 26.899 25.599 15.091 371 HZ2 LYS 50 HZ2 LYS 50 27.319 24.320 14.061 372 HZ3 LYS 50 HZ3 LYS 50 25.697 24.802 14.204 373 H ALA 51 HN ALA 51 23.724 22.030 8.850 374 HA ALA 51 HA ALA 51 23.615 22.841 6.153 375 HB1 ALA 51 HB1 ALA 51 23.203 20.082 7.299 376 HB2 ALA 51 HB2 ALA 51 24.759 20.807 6.898 377 HB3 ALA 51 HB3 ALA 51 23.590 20.465 5.622 378 H GLY 52 HN GLY 52 21.173 21.560 8.345 379 HA2 GLY 52 HA2 GLY 52 18.903 22.503 7.895 380 HA3 GLY 52 HA1 GLY 52 19.158 22.010 6.228 381 H VAL 53 HN VAL 53 20.376 19.892 8.623 382 HA VAL 53 HA VAL 53 18.391 17.901 7.887 383 HB VAL 53 HB VAL 53 20.811 17.628 9.679 384 HG11 VAL 53 HG11 VAL 53 20.542 15.222 9.321 385 HG12 VAL 53 HG12 VAL 53 19.078 15.526 8.386 386 HG13 VAL 53 HG13 VAL 53 19.125 15.919 10.105 387 HG21 VAL 53 HG21 VAL 53 21.464 18.244 7.420 388 HG22 VAL 53 HG22 VAL 53 20.472 16.943 6.762 389 HG23 VAL 53 HG23 VAL 53 21.884 16.563 7.747 390 H LYS 54 HN LYS 54 16.527 18.064 8.961 391 HA LYS 54 HA LYS 54 16.584 18.856 11.783 392 HB2 LYS 54 HB2 LYS 54 14.264 18.742 9.844 393 HB3 LYS 54 HB1 LYS 54 14.187 19.337 11.499 394 HG2 LYS 54 HG2 LYS 54 15.737 21.130 10.944 395 HG3 LYS 54 HG1 LYS 54 15.862 20.525 9.294 396 HD2 LYS 54 HD2 LYS 54 13.443 20.930 8.996 397 HD3 LYS 54 HD1 LYS 54 13.381 21.610 10.626 398 HE2 LYS 54 HE2 LYS 54 14.995 23.330 9.966 399 HE3 LYS 54 HE1 LYS 54 15.059 22.648 8.341 400 HZ1 LYS 54 HZ1 LYS 54 13.606 24.545 8.389 401 HZ2 LYS 54 HZ2 LYS 54 12.684 23.874 9.644 402 HZ3 LYS 54 HZ3 LYS 54 12.681 23.148 8.109 403 H SER 55 HN SER 55 15.988 16.175 9.725 404 HA SER 55 HA SER 55 15.403 14.547 12.073 405 HB2 SER 55 HB2 SER 55 13.708 14.449 9.561 406 HB3 SER 55 HB1 SER 55 13.537 13.403 10.971 407 HG SER 55 HG SER 55 13.509 15.976 11.736 408 H VAL 56 HN VAL 56 15.530 12.167 11.489 409 HA VAL 56 HA VAL 56 17.439 11.751 9.287 410 HB VAL 56 HB VAL 56 18.549 9.996 10.648 411 HG11 VAL 56 HG11 VAL 56 19.802 11.522 12.097 412 HG12 VAL 56 HG12 VAL 56 18.552 12.746 11.885 413 HG13 VAL 56 HG13 VAL 56 19.517 12.224 10.505 414 HG21 VAL 56 HG21 VAL 56 16.850 11.090 12.889 415 HG22 VAL 56 HG22 VAL 56 18.192 9.962 13.083 416 HG23 VAL 56 HG23 VAL 56 16.751 9.472 12.192 417 HA PRO 57 HA PRO 57 18.404 10.245 8.394 418 HB2 PRO 57 HB2 PRO 57 18.388 8.849 6.105 419 HB3 PRO 57 HB1 PRO 57 18.648 8.071 7.668 420 HG2 PRO 57 HG2 PRO 57 16.233 8.088 5.942 421 HG3 PRO 57 HG1 PRO 57 16.831 6.826 7.030 422 HD2 PRO 57 HD2 PRO 57 14.777 8.680 7.567 423 HD3 PRO 57 HD1 PRO 57 15.571 7.612 8.740 424 H ALA 58 HN ALA 58 19.170 11.614 6.745 425 HA ALA 58 HA ALA 58 17.145 12.740 4.934 426 HB1 ALA 58 HB1 ALA 58 19.026 14.372 6.639 427 HB2 ALA 58 HB2 ALA 58 17.285 14.220 6.878 428 HB3 ALA 58 HB3 ALA 58 17.911 15.006 5.429 429 H LEU 59 HN LEU 59 17.853 12.988 2.908 430 HA LEU 59 HA LEU 59 20.754 12.750 2.443 431 HB2 LEU 59 HB2 LEU 59 18.895 11.062 1.527 432 HB3 LEU 59 HB1 LEU 59 18.780 12.270 0.264 433 HG LEU 59 HG LEU 59 21.302 10.787 1.024 434 HD11 LEU 59 HD11 LEU 59 19.658 9.322 -0.011 435 HD12 LEU 59 HD12 LEU 59 21.011 9.624 -1.102 436 HD13 LEU 59 HD13 LEU 59 19.475 10.455 -1.350 437 HD21 LEU 59 HD21 LEU 59 22.242 11.754 -1.004 438 HD22 LEU 59 HD22 LEU 59 21.748 13.017 0.125 439 HD23 LEU 59 HD23 LEU 59 20.747 12.650 -1.281 440 H VAL 60 HN VAL 60 21.605 14.671 2.065 441 HA VAL 60 HA VAL 60 20.058 16.816 0.873 442 HB VAL 60 HB VAL 60 22.976 16.792 1.675 443 HG11 VAL 60 HG11 VAL 60 22.754 19.232 1.701 444 HG12 VAL 60 HG12 VAL 60 21.096 19.082 1.119 445 HG13 VAL 60 HG13 VAL 60 22.438 18.563 0.100 446 HG21 VAL 60 HG21 VAL 60 21.566 16.304 3.593 447 HG22 VAL 60 HG22 VAL 60 20.565 17.711 3.235 448 HG23 VAL 60 HG23 VAL 60 22.247 17.925 3.722 449 H ILE 61 HN ILE 61 19.700 16.359 -1.243 450 HA ILE 61 HA ILE 61 21.869 15.350 -2.913 451 HB ILE 61 HB ILE 61 18.997 15.928 -3.666 452 HG12 ILE 61 HG12 ILE 61 20.288 13.285 -2.944 453 HG13 ILE 61 HG11 ILE 61 19.206 14.195 -1.896 454 HG21 ILE 61 HG21 ILE 61 21.130 14.324 -5.072 455 HG22 ILE 61 HG22 ILE 61 20.522 15.902 -5.569 456 HG23 ILE 61 HG23 ILE 61 19.456 14.498 -5.599 457 HD11 ILE 61 HD11 ILE 61 17.410 13.929 -3.530 458 HD12 ILE 61 HD12 ILE 61 18.040 12.374 -2.983 459 HD13 ILE 61 HD13 ILE 61 18.496 13.004 -4.566 460 H ASP 62 HN ASP 62 23.221 16.810 -3.721 461 HA ASP 62 HA ASP 62 23.986 18.454 -5.090 462 HB2 ASP 62 HB2 ASP 62 22.038 17.923 -6.529 463 HB3 ASP 62 HB1 ASP 62 21.075 19.090 -5.630 464 H GLY 63 HN GLY 63 21.997 19.014 -2.437 465 HA2 GLY 63 HA2 GLY 63 23.060 21.000 -1.132 466 HA3 GLY 63 HA1 GLY 63 22.398 21.921 -2.476 467 H ALA 64 HN ALA 64 20.124 19.862 -2.516 468 HA ALA 64 HA ALA 64 18.507 21.233 -0.491 469 HB1 ALA 64 HB1 ALA 64 17.692 21.286 -2.800 470 HB2 ALA 64 HB2 ALA 64 16.574 20.425 -1.741 471 HB3 ALA 64 HB3 ALA 64 17.639 19.524 -2.821 472 H ALA 65 HN ALA 65 17.640 20.197 1.224 473 HA ALA 65 HA ALA 65 18.614 17.516 1.747 474 HB1 ALA 65 HB1 ALA 65 18.861 19.250 3.458 475 HB2 ALA 65 HB2 ALA 65 17.878 17.903 4.034 476 HB3 ALA 65 HB3 ALA 65 17.106 19.411 3.543 477 H PHE 66 HN PHE 66 17.450 15.734 1.521 478 HA PHE 66 HA PHE 66 14.514 15.949 1.626 479 HB2 PHE 66 HB2 PHE 66 16.188 14.166 -0.154 480 HB3 PHE 66 HB1 PHE 66 14.441 14.040 0.019 481 HD1 PHE 66 HD2 PHE 66 12.988 15.879 -0.770 482 HD2 PHE 66 HD1 PHE 66 17.177 15.828 -1.520 483 HE1 PHE 66 HE2 PHE 66 12.688 17.568 -2.532 484 HE2 PHE 66 HE1 PHE 66 16.883 17.517 -3.283 485 HZ PHE 66 HZ PHE 66 14.638 18.388 -3.791 486 H HIS 67 HN HIS 67 13.906 15.110 3.488 487 HA HIS 67 HA HIS 67 15.383 13.087 4.876 488 HB2 HIS 67 HB2 HIS 67 12.583 14.137 5.367 489 HB3 HIS 67 HB1 HIS 67 13.513 13.147 6.483 490 HD1 HIS 67 HD1 HIS 67 13.327 16.656 5.107 491 HD2 HIS 67 HD2 HIS 67 15.409 14.482 7.976 492 HE1 HIS 67 HE1 HIS 67 14.555 18.349 6.532 493 H ILE 68 HN ILE 68 15.251 10.946 4.561 494 HA ILE 68 HA ILE 68 13.130 9.965 2.784 495 HB ILE 68 HB ILE 68 15.677 8.553 3.593 496 HG12 ILE 68 HG12 ILE 68 15.055 10.063 1.042 497 HG13 ILE 68 HG11 ILE 68 16.117 10.640 2.324 498 HG21 ILE 68 HG21 ILE 68 13.894 7.052 2.887 499 HG22 ILE 68 HG22 ILE 68 15.179 7.101 1.678 500 HG23 ILE 68 HG23 ILE 68 13.677 7.986 1.406 501 HD11 ILE 68 HD11 ILE 68 16.550 8.194 0.626 502 HD12 ILE 68 HD12 ILE 68 17.607 8.743 1.925 503 HD13 ILE 68 HD13 ILE 68 17.397 9.735 0.483 504 H ASN 69 HN ASN 69 11.420 9.443 3.989 505 HA ASN 69 HA ASN 69 10.078 8.361 5.454 506 HB2 ASN 69 HB2 ASN 69 12.495 6.587 5.662 507 HB3 ASN 69 HB1 ASN 69 11.105 6.339 6.712 508 HD21 ASN 69 HD21 ASN 69 12.204 4.617 4.628 509 HD22 ASN 69 HD22 ASN 69 10.909 4.337 3.516 510 H PHE 70 HN PHE 70 9.511 9.627 7.048 511 HA PHE 70 HA PHE 70 11.325 10.894 8.803 512 HB2 PHE 70 HB2 PHE 70 9.130 11.855 8.197 513 HB3 PHE 70 HB1 PHE 70 8.328 10.562 9.080 514 HD1 PHE 70 HD2 PHE 70 10.576 13.477 9.464 515 HD2 PHE 70 HD1 PHE 70 7.969 10.723 11.394 516 HE1 PHE 70 HE2 PHE 70 10.666 14.834 11.513 517 HE2 PHE 70 HE1 PHE 70 8.053 12.075 13.448 518 HZ PHE 70 HZ PHE 70 9.405 14.133 13.509 519 H GLY 71 HN GLY 71 12.559 9.404 9.883 520 HA2 GLY 71 HA2 GLY 71 11.263 7.380 11.517 521 HA3 GLY 71 HA1 GLY 71 12.995 7.624 11.333 522 H ALA 72 HN ALA 72 13.823 9.717 12.299 523 HA ALA 72 HA ALA 72 12.324 10.488 14.695 524 HB1 ALA 72 HB1 ALA 72 15.197 9.566 14.752 525 HB2 ALA 72 HB2 ALA 72 13.815 8.674 15.388 526 HB3 ALA 72 HB3 ALA 72 14.286 10.209 16.118 527 H GLY 73 HN GLY 73 13.007 12.494 15.617 528 HA2 GLY 73 HA2 GLY 73 14.184 14.294 13.643 529 HA3 GLY 73 HA1 GLY 73 13.393 14.761 15.144 530 H ILE 74 HN ILE 74 16.084 15.430 13.919 531 HA ILE 74 HA ILE 74 18.064 14.136 15.505 532 HB ILE 74 HB ILE 74 18.565 15.242 13.329 533 HG12 ILE 74 HG12 ILE 74 20.154 16.289 15.685 534 HG13 ILE 74 HG11 ILE 74 20.351 14.703 14.946 535 HG21 ILE 74 HG21 ILE 74 18.890 17.670 13.268 536 HG22 ILE 74 HG22 ILE 74 18.251 17.793 14.908 537 HG23 ILE 74 HG23 ILE 74 17.210 17.244 13.594 538 HD11 ILE 74 HD11 ILE 74 22.076 16.254 14.223 539 HD12 ILE 74 HD12 ILE 74 20.842 17.345 13.594 540 HD13 ILE 74 HD13 ILE 74 21.062 15.752 12.870 541 H ASP 75 HN ASP 75 15.930 16.779 16.019 542 HA ASP 75 HA ASP 75 17.366 18.128 18.053 543 HB2 ASP 75 HB2 ASP 75 15.483 19.136 16.802 544 HB3 ASP 75 HB1 ASP 75 14.377 18.020 17.595 545 H ASP 76 HN ASP 76 15.426 15.269 17.991 546 HA ASP 76 HA ASP 76 14.914 15.191 20.818 547 HB2 ASP 76 HB2 ASP 76 14.676 13.015 18.728 548 HB3 ASP 76 HB1 ASP 76 14.065 12.916 20.374 549 H LEU 77 HN LEU 77 17.536 14.447 18.812 550 HA LEU 77 HA LEU 77 18.620 12.329 20.464 551 HB2 LEU 77 HB2 LEU 77 19.838 13.803 18.127 552 HB3 LEU 77 HB1 LEU 77 20.493 12.362 18.882 553 HG LEU 77 HG LEU 77 17.858 12.513 17.411 554 HD11 LEU 77 HD11 LEU 77 19.749 12.745 15.902 555 HD12 LEU 77 HD12 LEU 77 18.989 11.166 15.708 556 HD13 LEU 77 HD13 LEU 77 20.502 11.311 16.601 557 HD21 LEU 77 HD21 LEU 77 17.880 10.071 17.604 558 HD22 LEU 77 HD22 LEU 77 17.831 10.848 19.186 559 HD23 LEU 77 HD23 LEU 77 19.342 10.164 18.586 560 H LYS 78 HN LYS 78 18.331 15.456 21.031 561 HA LYS 78 HA LYS 78 21.061 16.031 21.867 562 HB2 LYS 78 HB2 LYS 78 18.548 17.687 22.152 563 HB3 LYS 78 HB1 LYS 78 20.186 18.235 22.472 564 HG2 LYS 78 HG2 LYS 78 20.764 18.042 20.150 565 HG3 LYS 78 HG1 LYS 78 19.194 17.319 19.784 566 HD2 LYS 78 HD2 LYS 78 18.095 19.393 20.532 567 HD3 LYS 78 HD1 LYS 78 19.681 20.112 20.813 568 HE2 LYS 78 HE2 LYS 78 20.225 19.883 18.457 569 HE3 LYS 78 HE1 LYS 78 18.674 19.098 18.160 570 HZ1 LYS 78 HZ1 LYS 78 17.534 21.104 18.745 571 HZ2 LYS 78 HZ2 LYS 78 18.704 21.474 17.566 572 HZ3 LYS 78 HZ3 LYS 78 18.986 21.861 19.193 573 H GLY 79 HN GLY 79 18.257 14.638 23.144 574 HA2 GLY 79 HA2 GLY 79 19.135 15.251 25.894 575 HA3 GLY 79 HA1 GLY 79 17.449 15.052 25.444 576 H SER 80 HN SER 80 18.249 13.611 27.484 577 HA SER 80 HA SER 80 19.204 11.014 26.694 578 HB2 SER 80 HB2 SER 80 17.968 11.843 29.330 579 HB3 SER 80 HB1 SER 80 19.012 10.453 29.030 580 HG SER 80 HG SER 80 19.831 12.697 29.889 581 H1 VAL 1 HT1 VAL 1 18.292 -2.246 -13.665 582 H2 VAL 1 HT2 VAL 1 18.498 -3.909 -13.898 583 H3 VAL 1 HT3 VAL 1 17.031 -3.316 -13.297 584 HA VAL 1 HA VAL 1 18.159 -2.921 -16.008 585 HB VAL 1 HB VAL 1 15.522 -4.170 -15.225 586 HG11 VAL 1 HG11 VAL 1 17.066 -4.175 -17.816 587 HG12 VAL 1 HG12 VAL 1 15.598 -3.257 -17.479 588 HG13 VAL 1 HG13 VAL 1 15.545 -5.019 -17.523 589 HG21 VAL 1 HG21 VAL 1 16.553 -6.346 -15.722 590 HG22 VAL 1 HG22 VAL 1 17.302 -5.556 -14.334 591 HG23 VAL 1 HG23 VAL 1 18.117 -5.550 -15.898 592 H ALA 2 HN ALA 2 14.852 -2.646 -14.748 593 HA ALA 2 HA ALA 2 14.983 0.259 -14.972 594 HB1 ALA 2 HB1 ALA 2 12.934 -1.360 -16.484 595 HB2 ALA 2 HB2 ALA 2 14.295 -0.498 -17.202 596 HB3 ALA 2 HB3 ALA 2 13.013 0.401 -16.391 597 H SER 3 HN SER 3 12.814 -2.501 -14.376 598 HA SER 3 HA SER 3 11.296 -2.935 -12.746 599 HB2 SER 3 HB2 SER 3 13.093 -1.088 -11.152 600 HB3 SER 3 HB1 SER 3 11.904 -2.200 -10.468 601 HG SER 3 HG SER 3 13.171 -3.818 -11.843 602 H LYS 4 HN LYS 4 10.319 -1.199 -10.627 603 HA LYS 4 HA LYS 4 9.261 1.057 -12.164 604 HB2 LYS 4 HB2 LYS 4 7.002 0.698 -11.409 605 HB3 LYS 4 HB1 LYS 4 7.572 -0.742 -12.233 606 HG2 LYS 4 HG2 LYS 4 7.828 -1.908 -10.161 607 HG3 LYS 4 HG1 LYS 4 7.509 -0.437 -9.237 608 HD2 LYS 4 HD2 LYS 4 5.250 -0.362 -10.350 609 HD3 LYS 4 HD1 LYS 4 5.592 -1.971 -10.984 610 HE2 LYS 4 HE2 LYS 4 5.648 -1.293 -8.051 611 HE3 LYS 4 HE1 LYS 4 4.212 -1.890 -8.877 612 HZ1 LYS 4 HZ1 LYS 4 5.344 -3.697 -7.817 613 HZ2 LYS 4 HZ2 LYS 4 6.806 -3.315 -8.588 614 HZ3 LYS 4 HZ3 LYS 4 5.493 -3.881 -9.498 615 H ALA 5 HN ALA 5 9.454 2.897 -11.164 616 HA ALA 5 HA ALA 5 9.573 2.927 -8.217 617 HB1 ALA 5 HB1 ALA 5 11.723 3.540 -9.212 618 HB2 ALA 5 HB2 ALA 5 10.988 4.923 -8.402 619 HB3 ALA 5 HB3 ALA 5 10.932 4.799 -10.160 620 H ILE 6 HN ILE 6 7.559 3.497 -7.623 621 HA ILE 6 HA ILE 6 6.087 5.369 -9.333 622 HB ILE 6 HB ILE 6 4.989 3.625 -7.126 623 HG12 ILE 6 HG12 ILE 6 4.980 3.172 -10.122 624 HG13 ILE 6 HG11 ILE 6 5.967 2.286 -8.965 625 HG21 ILE 6 HG21 ILE 6 2.829 4.099 -8.195 626 HG22 ILE 6 HG22 ILE 6 3.641 5.171 -9.337 627 HG23 ILE 6 HG23 ILE 6 3.618 5.567 -7.618 628 HD11 ILE 6 HD11 ILE 6 2.961 2.286 -9.099 629 HD12 ILE 6 HD12 ILE 6 3.935 1.416 -7.915 630 HD13 ILE 6 HD13 ILE 6 4.035 0.989 -9.623 631 H PHE 7 HN PHE 7 5.901 7.384 -8.748 632 HA PHE 7 HA PHE 7 6.429 8.155 -5.968 633 HB2 PHE 7 HB2 PHE 7 7.732 9.211 -7.824 634 HB3 PHE 7 HB1 PHE 7 6.232 9.883 -8.448 635 HD1 PHE 7 HD2 PHE 7 8.565 9.941 -5.588 636 HD2 PHE 7 HD1 PHE 7 5.335 11.875 -7.571 637 HE1 PHE 7 HE2 PHE 7 8.878 11.919 -4.159 638 HE2 PHE 7 HE1 PHE 7 5.644 13.857 -6.147 639 HZ PHE 7 HZ PHE 7 7.416 13.878 -4.438 640 H TYR 8 HN TYR 8 4.760 8.602 -4.678 641 HA TYR 8 HA TYR 8 2.156 9.208 -5.912 642 HB2 TYR 8 HB2 TYR 8 2.868 8.052 -3.214 643 HB3 TYR 8 HB1 TYR 8 1.247 8.594 -3.624 644 HD1 TYR 8 HD2 TYR 8 -0.031 7.417 -5.398 645 HD2 TYR 8 HD1 TYR 8 3.700 5.950 -3.979 646 HE1 TYR 8 HE2 TYR 8 -0.542 5.212 -6.358 647 HE2 TYR 8 HE1 TYR 8 3.202 3.739 -4.934 648 HH TYR 8 HH TYR 8 1.257 2.420 -5.612 649 H HIS 9 HN HIS 9 1.234 11.152 -5.606 650 HA HIS 9 HA HIS 9 1.819 12.731 -3.275 651 HB2 HIS 9 HB2 HIS 9 2.872 14.590 -4.320 652 HB3 HIS 9 HB1 HIS 9 3.766 13.162 -4.826 653 HD2 HIS 9 HD2 HIS 9 2.799 12.253 -7.514 654 HE1 HIS 9 HE1 HIS 9 2.153 16.291 -8.597 655 HE2 HIS 9 HE2 HIS 9 2.620 13.959 -9.459 656 H ALA 10 HN ALA 10 0.838 15.086 -3.747 657 HA ALA 10 HA ALA 10 -1.719 14.724 -5.152 658 HB1 ALA 10 HB1 ALA 10 -2.083 14.333 -2.767 659 HB2 ALA 10 HB2 ALA 10 -2.894 15.804 -3.303 660 HB3 ALA 10 HB3 ALA 10 -1.385 15.910 -2.396 661 H GLY 11 HN GLY 11 0.842 16.200 -5.740 662 HA2 GLY 11 HA2 GLY 11 1.235 18.116 -6.980 663 HA3 GLY 11 HA1 GLY 11 -0.426 18.604 -6.687 664 H CYS 12 HN CYS 12 1.576 17.790 -4.004 665 HA CYS 12 HA CYS 12 1.267 20.413 -2.882 666 HB2 CYS 12 HB2 CYS 12 2.970 18.157 -1.815 667 HB3 CYS 12 HB1 CYS 12 2.243 19.479 -0.909 668 HG CYS 12 HG CYS 12 -0.409 18.534 -1.435 669 HA PRO 13 HA PRO 13 5.006 22.373 -4.272 670 HB2 PRO 13 HB2 PRO 13 5.331 23.225 -1.436 671 HB3 PRO 13 HB1 PRO 13 5.329 24.199 -2.910 672 HG2 PRO 13 HG2 PRO 13 3.218 24.194 -1.292 673 HG3 PRO 13 HG1 PRO 13 3.013 24.218 -3.054 674 HD2 PRO 13 HD2 PRO 13 2.668 21.956 -1.134 675 HD3 PRO 13 HD1 PRO 13 1.744 22.345 -2.599 676 H VAL 14 HN VAL 14 5.028 20.423 -1.363 677 HA VAL 14 HA VAL 14 7.800 20.169 -0.999 678 HB VAL 14 HB VAL 14 5.654 18.152 -0.312 679 HG11 VAL 14 HG11 VAL 14 7.225 17.388 1.407 680 HG12 VAL 14 HG12 VAL 14 8.430 18.528 0.807 681 HG13 VAL 14 HG13 VAL 14 7.889 17.197 -0.216 682 HG21 VAL 14 HG21 VAL 14 6.775 20.427 1.322 683 HG22 VAL 14 HG22 VAL 14 5.640 19.208 1.900 684 HG23 VAL 14 HG23 VAL 14 5.153 20.338 0.636 685 H CYS 15 HN CYS 15 5.501 18.059 -2.732 686 HA CYS 15 HA CYS 15 7.574 16.250 -3.514 687 HB2 CYS 15 HB2 CYS 15 5.733 15.241 -4.938 688 HB3 CYS 15 HB1 CYS 15 5.459 15.262 -3.200 689 HG CYS 15 HG CYS 15 3.531 16.366 -5.553 690 H VAL 16 HN VAL 16 6.207 19.124 -4.845 691 HA VAL 16 HA VAL 16 6.924 18.822 -7.537 692 HB VAL 16 HB VAL 16 6.972 21.349 -5.868 693 HG11 VAL 16 HG11 VAL 16 8.275 21.598 -7.917 694 HG12 VAL 16 HG12 VAL 16 6.786 22.540 -7.999 695 HG13 VAL 16 HG13 VAL 16 6.910 21.010 -8.867 696 HG21 VAL 16 HG21 VAL 16 4.758 21.768 -6.830 697 HG22 VAL 16 HG22 VAL 16 4.783 20.280 -5.885 698 HG23 VAL 16 HG23 VAL 16 4.819 20.206 -7.647 699 H SER 17 HN SER 17 8.771 20.282 -4.855 700 HA SER 17 HA SER 17 11.172 20.631 -6.251 701 HB2 SER 17 HB2 SER 17 10.793 20.114 -3.292 702 HB3 SER 17 HB1 SER 17 12.208 20.851 -4.046 703 HG SER 17 HG SER 17 10.559 22.314 -3.122 704 H ALA 18 HN ALA 18 9.865 17.854 -4.528 705 HA ALA 18 HA ALA 18 12.191 16.266 -4.532 706 HB1 ALA 18 HB1 ALA 18 9.317 15.353 -4.602 707 HB2 ALA 18 HB2 ALA 18 10.225 15.769 -3.150 708 HB3 ALA 18 HB3 ALA 18 10.709 14.383 -4.127 709 H GLU 19 HN GLU 19 9.621 16.719 -6.906 710 HA GLU 19 HA GLU 19 10.481 14.688 -8.693 711 HB2 GLU 19 HB2 GLU 19 8.207 15.707 -8.696 712 HB3 GLU 19 HB1 GLU 19 8.908 17.196 -9.316 713 HG2 GLU 19 HG2 GLU 19 9.724 15.890 -11.285 714 HG3 GLU 19 HG1 GLU 19 8.786 14.523 -10.684 715 H GLN 20 HN GLN 20 11.420 18.011 -8.188 716 HA GLN 20 HA GLN 20 12.781 18.227 -10.729 717 HB2 GLN 20 HB2 GLN 20 12.974 20.100 -8.369 718 HB3 GLN 20 HB1 GLN 20 13.361 20.456 -10.046 719 HG2 GLN 20 HG2 GLN 20 11.011 20.225 -10.645 720 HG3 GLN 20 HG1 GLN 20 10.619 19.844 -8.969 721 HE21 GLN 20 HE21 GLN 20 9.568 21.980 -10.538 722 HE22 GLN 20 HE22 GLN 20 10.025 23.461 -9.761 723 H ALA 21 HN ALA 21 13.582 17.131 -7.577 724 HA ALA 21 HA ALA 21 16.444 17.341 -8.241 725 HB1 ALA 21 HB1 ALA 21 15.828 18.690 -6.305 726 HB2 ALA 21 HB2 ALA 21 16.922 17.380 -5.859 727 HB3 ALA 21 HB3 ALA 21 15.200 17.251 -5.501 728 H VAL 22 HN VAL 22 14.279 15.324 -6.225 729 HA VAL 22 HA VAL 22 16.132 13.185 -6.093 730 HB VAL 22 HB VAL 22 13.151 13.044 -5.620 731 HG11 VAL 22 HG11 VAL 22 15.412 11.309 -4.631 732 HG12 VAL 22 HG12 VAL 22 14.202 10.860 -5.833 733 HG13 VAL 22 HG13 VAL 22 13.719 11.155 -4.162 734 HG21 VAL 22 HG21 VAL 22 15.380 13.709 -3.699 735 HG22 VAL 22 HG22 VAL 22 13.696 13.430 -3.254 736 HG23 VAL 22 HG23 VAL 22 14.124 14.809 -4.267 737 H ALA 23 HN ALA 23 13.324 13.818 -8.145 738 HA ALA 23 HA ALA 23 13.412 11.269 -9.429 739 HB1 ALA 23 HB1 ALA 23 11.352 12.591 -9.275 740 HB2 ALA 23 HB2 ALA 23 11.747 12.166 -10.941 741 HB3 ALA 23 HB3 ALA 23 12.060 13.798 -10.348 742 H ASN 24 HN ASN 24 15.348 14.022 -9.712 743 HA ASN 24 HA ASN 24 16.269 13.147 -12.362 744 HB2 ASN 24 HB2 ASN 24 16.773 15.716 -10.856 745 HB3 ASN 24 HB1 ASN 24 17.620 15.278 -12.335 746 HD21 ASN 24 HD21 ASN 24 15.155 13.940 -13.361 747 HD22 ASN 24 HD22 ASN 24 14.147 15.234 -13.905 748 H ALA 25 HN ALA 25 16.933 12.866 -9.095 749 HA ALA 25 HA ALA 25 19.765 12.340 -9.412 750 HB1 ALA 25 HB1 ALA 25 17.938 11.812 -7.064 751 HB2 ALA 25 HB2 ALA 25 18.930 13.252 -7.292 752 HB3 ALA 25 HB3 ALA 25 19.697 11.680 -7.059 753 H ILE 26 HN ILE 26 16.789 10.531 -8.773 754 HA ILE 26 HA ILE 26 17.987 7.992 -9.427 755 HB ILE 26 HB ILE 26 15.065 8.767 -9.223 756 HG12 ILE 26 HG12 ILE 26 16.857 7.390 -7.208 757 HG13 ILE 26 HG11 ILE 26 16.323 9.064 -7.111 758 HG21 ILE 26 HG21 ILE 26 14.662 6.347 -9.014 759 HG22 ILE 26 HG22 ILE 26 16.374 6.050 -9.324 760 HG23 ILE 26 HG23 ILE 26 15.364 6.778 -10.574 761 HD11 ILE 26 HD11 ILE 26 14.543 6.640 -7.021 762 HD12 ILE 26 HD12 ILE 26 14.011 8.317 -6.914 763 HD13 ILE 26 HD13 ILE 26 15.025 7.631 -5.644 764 H ASP 27 HN ASP 27 18.644 7.687 -11.455 765 HA ASP 27 HA ASP 27 17.955 9.331 -13.602 766 HB2 ASP 27 HB2 ASP 27 20.031 7.916 -13.383 767 HB3 ASP 27 HB1 ASP 27 19.049 6.528 -13.840 768 HA PRO 28 HA PRO 28 13.907 7.768 -14.551 769 HB2 PRO 28 HB2 PRO 28 14.305 9.216 -17.097 770 HB3 PRO 28 HB1 PRO 28 13.050 9.417 -15.872 771 HG2 PRO 28 HG2 PRO 28 14.994 11.226 -16.170 772 HG3 PRO 28 HG1 PRO 28 14.363 10.807 -14.567 773 HD2 PRO 28 HD2 PRO 28 16.895 9.923 -15.897 774 HD3 PRO 28 HD1 PRO 28 16.613 10.395 -14.207 775 H SER 29 HN SER 29 16.725 7.254 -16.497 776 HA SER 29 HA SER 29 15.303 5.250 -18.107 777 HB2 SER 29 HB2 SER 29 18.099 6.360 -18.468 778 HB3 SER 29 HB1 SER 29 17.241 5.300 -19.586 779 HG SER 29 HG SER 29 15.581 7.179 -19.398 780 H LYS 30 HN LYS 30 17.133 5.541 -15.345 781 HA LYS 30 HA LYS 30 18.385 2.916 -15.510 782 HB2 LYS 30 HB2 LYS 30 19.542 4.769 -14.356 783 HB3 LYS 30 HB1 LYS 30 18.208 4.889 -13.219 784 HG2 LYS 30 HG2 LYS 30 18.720 2.468 -12.616 785 HG3 LYS 30 HG1 LYS 30 20.234 2.698 -13.496 786 HD2 LYS 30 HD2 LYS 30 20.787 4.590 -12.046 787 HD3 LYS 30 HD1 LYS 30 19.273 4.364 -11.170 788 HE2 LYS 30 HE2 LYS 30 20.963 3.345 -9.865 789 HE3 LYS 30 HE1 LYS 30 20.065 2.035 -10.632 790 HZ1 LYS 30 HZ1 LYS 30 21.816 1.867 -12.292 791 HZ2 LYS 30 HZ2 LYS 30 22.446 1.663 -10.733 792 HZ3 LYS 30 HZ3 LYS 30 22.670 3.134 -11.550 793 H TYR 31 HN TYR 31 15.736 4.569 -13.905 794 HA TYR 31 HA TYR 31 14.474 1.968 -13.439 795 HB2 TYR 31 HB2 TYR 31 14.786 4.196 -11.430 796 HB3 TYR 31 HB1 TYR 31 13.488 3.014 -11.301 797 HD1 TYR 31 HD2 TYR 31 14.089 0.580 -11.059 798 HD2 TYR 31 HD1 TYR 31 16.974 3.683 -10.691 799 HE1 TYR 31 HE2 TYR 31 15.605 -0.976 -9.913 800 HE2 TYR 31 HE1 TYR 31 18.501 2.132 -9.545 801 HH TYR 31 HH TYR 31 18.357 0.013 -8.235 802 H THR 32 HN THR 32 12.307 1.920 -13.862 803 HA THR 32 HA THR 32 11.246 4.025 -15.457 804 HB THR 32 HB THR 32 9.797 1.648 -14.265 805 HG1 THR 32 HG1 THR 32 10.495 0.520 -15.960 806 HG21 THR 32 HG21 THR 32 9.091 3.418 -16.611 807 HG22 THR 32 HG22 THR 32 8.268 3.387 -15.053 808 HG23 THR 32 HG23 THR 32 8.208 1.975 -16.107 809 H VAL 33 HN VAL 33 11.092 5.896 -14.295 810 HA VAL 33 HA VAL 33 9.793 5.981 -11.731 811 HB VAL 33 HB VAL 33 10.590 8.277 -13.534 812 HG11 VAL 33 HG11 VAL 33 8.932 8.907 -11.859 813 HG12 VAL 33 HG12 VAL 33 10.502 9.626 -11.495 814 HG13 VAL 33 HG13 VAL 33 9.944 8.221 -10.588 815 HG21 VAL 33 HG21 VAL 33 12.098 7.000 -11.253 816 HG22 VAL 33 HG22 VAL 33 12.585 8.456 -12.121 817 HG23 VAL 33 HG23 VAL 33 12.521 6.908 -12.962 818 H GLU 34 HN GLU 34 7.684 5.863 -11.523 819 HA GLU 34 HA GLU 34 5.979 7.050 -13.617 820 HB2 GLU 34 HB2 GLU 34 6.024 4.456 -13.255 821 HB3 GLU 34 HB1 GLU 34 5.057 4.818 -11.832 822 HG2 GLU 34 HG2 GLU 34 3.652 4.231 -13.717 823 HG3 GLU 34 HG1 GLU 34 3.387 5.907 -13.235 824 H ILE 35 HN ILE 35 4.685 8.652 -12.919 825 HA ILE 35 HA ILE 35 4.608 9.092 -10.011 826 HB ILE 35 HB ILE 35 4.362 11.108 -12.247 827 HG12 ILE 35 HG12 ILE 35 6.588 10.598 -10.259 828 HG13 ILE 35 HG11 ILE 35 6.634 10.188 -11.970 829 HG21 ILE 35 HG21 ILE 35 3.039 11.760 -10.312 830 HG22 ILE 35 HG22 ILE 35 4.458 12.795 -10.469 831 HG23 ILE 35 HG23 ILE 35 4.431 11.512 -9.258 832 HD11 ILE 35 HD11 ILE 35 7.888 12.209 -11.519 833 HD12 ILE 35 HD12 ILE 35 6.456 12.961 -10.817 834 HD13 ILE 35 HD13 ILE 35 6.490 12.559 -12.534 835 H VAL 36 HN VAL 36 2.744 8.947 -8.996 836 HA VAL 36 HA VAL 36 0.261 8.981 -10.579 837 HB VAL 36 HB VAL 36 0.775 7.730 -7.871 838 HG11 VAL 36 HG11 VAL 36 -1.519 8.533 -8.072 839 HG12 VAL 36 HG12 VAL 36 -1.468 6.771 -8.102 840 HG13 VAL 36 HG13 VAL 36 -1.697 7.673 -9.600 841 HG21 VAL 36 HG21 VAL 36 0.480 5.597 -9.045 842 HG22 VAL 36 HG22 VAL 36 1.855 6.504 -9.675 843 HG23 VAL 36 HG23 VAL 36 0.338 6.463 -10.575 844 H HIS 37 HN HIS 37 -1.068 10.618 -10.313 845 HA HIS 37 HA HIS 37 -0.599 12.486 -8.100 846 HB2 HIS 37 HB2 HIS 37 -0.537 13.136 -10.620 847 HB3 HIS 37 HB1 HIS 37 -2.288 13.044 -10.526 848 HD2 HIS 37 HD2 HIS 37 0.069 15.709 -10.596 849 HE1 HIS 37 HE1 HIS 37 -2.605 16.904 -7.548 850 HE2 HIS 37 HE2 HIS 37 -0.981 17.706 -9.319 851 H LEU 38 HN LEU 38 -2.002 12.425 -6.446 852 HA LEU 38 HA LEU 38 -4.404 10.887 -6.563 853 HB2 LEU 38 HB2 LEU 38 -3.405 12.813 -4.467 854 HB3 LEU 38 HB1 LEU 38 -4.823 11.801 -4.281 855 HG LEU 38 HG LEU 38 -1.963 10.879 -4.538 856 HD11 LEU 38 HD11 LEU 38 -2.350 9.983 -2.294 857 HD12 LEU 38 HD12 LEU 38 -3.967 10.687 -2.297 858 HD13 LEU 38 HD13 LEU 38 -2.550 11.734 -2.344 859 HD21 LEU 38 HD21 LEU 38 -4.487 9.239 -4.350 860 HD22 LEU 38 HD22 LEU 38 -2.841 8.611 -4.261 861 HD23 LEU 38 HD23 LEU 38 -3.423 9.353 -5.751 862 H GLY 39 HN GLY 39 -3.664 14.080 -7.422 863 HA2 GLY 39 HA2 GLY 39 -6.193 15.294 -6.922 864 HA3 GLY 39 HA1 GLY 39 -4.958 15.880 -8.030 865 H THR 40 HN THR 40 -5.003 13.153 -9.347 866 HA THR 40 HA THR 40 -7.134 13.713 -11.215 867 HB THR 40 HB THR 40 -5.196 11.388 -11.165 868 HG1 THR 40 HG1 THR 40 -5.036 14.024 -12.141 869 HG21 THR 40 HG21 THR 40 -5.764 11.162 -13.538 870 HG22 THR 40 HG22 THR 40 -6.933 12.474 -13.386 871 HG23 THR 40 HG23 THR 40 -7.191 10.959 -12.520 872 H ASP 41 HN ASP 41 -6.201 10.864 -9.265 873 HA ASP 41 HA ASP 41 -9.052 10.142 -9.169 874 HB2 ASP 41 HB2 ASP 41 -6.679 8.317 -9.556 875 HB3 ASP 41 HB1 ASP 41 -8.266 7.734 -9.074 876 H LYS 42 HN LYS 42 -9.779 10.304 -7.168 877 HA LYS 42 HA LYS 42 -8.091 10.170 -4.867 878 HB2 LYS 42 HB2 LYS 42 -11.104 10.046 -5.120 879 HB3 LYS 42 HB1 LYS 42 -10.242 10.151 -3.591 880 HG2 LYS 42 HG2 LYS 42 -9.276 12.302 -4.324 881 HG3 LYS 42 HG1 LYS 42 -10.248 12.203 -5.794 882 HD2 LYS 42 HD2 LYS 42 -12.290 12.191 -4.445 883 HD3 LYS 42 HD1 LYS 42 -11.321 12.277 -2.972 884 HE2 LYS 42 HE2 LYS 42 -10.406 14.434 -3.726 885 HE3 LYS 42 HE1 LYS 42 -11.426 14.349 -5.162 886 HZ1 LYS 42 HZ1 LYS 42 -12.455 15.737 -3.518 887 HZ2 LYS 42 HZ2 LYS 42 -12.355 14.522 -2.342 888 HZ3 LYS 42 HZ3 LYS 42 -13.377 14.324 -3.683 889 H ALA 43 HN ALA 43 -9.583 7.861 -6.854 890 HA ALA 43 HA ALA 43 -9.899 5.729 -5.021 891 HB1 ALA 43 HB1 ALA 43 -10.949 5.745 -7.231 892 HB2 ALA 43 HB2 ALA 43 -9.966 4.299 -6.995 893 HB3 ALA 43 HB3 ALA 43 -9.359 5.625 -7.987 894 H ARG 44 HN ARG 44 -7.136 7.179 -6.437 895 HA ARG 44 HA ARG 44 -5.414 4.909 -6.446 896 HB2 ARG 44 HB2 ARG 44 -4.738 7.856 -6.398 897 HB3 ARG 44 HB1 ARG 44 -3.592 6.560 -6.706 898 HG2 ARG 44 HG2 ARG 44 -5.994 7.165 -8.414 899 HG3 ARG 44 HG1 ARG 44 -4.353 7.718 -8.745 900 HD2 ARG 44 HD2 ARG 44 -3.626 5.349 -8.825 901 HD3 ARG 44 HD1 ARG 44 -5.308 4.860 -8.615 902 HE ARG 44 HE ARG 44 -5.058 6.629 -10.810 903 HH11 ARG 44 HH11 ARG 44 -4.490 3.295 -9.869 904 HH12 ARG 44 HH12 ARG 44 -4.526 2.713 -11.506 905 HH21 ARG 44 HH21 ARG 44 -5.129 5.827 -12.956 906 HH22 ARG 44 HH22 ARG 44 -4.901 4.127 -13.243 907 H ILE 45 HN ILE 45 -6.645 6.831 -3.939 908 HA ILE 45 HA ILE 45 -4.489 6.905 -2.140 909 HB ILE 45 HB ILE 45 -7.460 6.815 -1.591 910 HG12 ILE 45 HG12 ILE 45 -5.475 9.102 -1.601 911 HG13 ILE 45 HG11 ILE 45 -6.664 8.776 -2.856 912 HG21 ILE 45 HG21 ILE 45 -6.254 6.025 0.369 913 HG22 ILE 45 HG22 ILE 45 -6.921 7.632 0.660 914 HG23 ILE 45 HG23 ILE 45 -5.203 7.440 0.312 915 HD11 ILE 45 HD11 ILE 45 -8.462 9.181 -1.259 916 HD12 ILE 45 HD12 ILE 45 -7.387 10.572 -1.393 917 HD13 ILE 45 HD13 ILE 45 -7.271 9.499 0.001 918 H ALA 46 HN ALA 46 -7.137 4.536 -2.433 919 HA ALA 46 HA ALA 46 -6.224 2.804 -0.409 920 HB1 ALA 46 HB1 ALA 46 -8.510 2.751 -1.291 921 HB2 ALA 46 HB2 ALA 46 -7.748 1.163 -1.369 922 HB3 ALA 46 HB3 ALA 46 -7.900 2.140 -2.829 923 H GLU 47 HN GLU 47 -5.471 3.077 -3.809 924 HA GLU 47 HA GLU 47 -4.025 0.662 -4.086 925 HB2 GLU 47 HB2 GLU 47 -3.777 3.264 -5.607 926 HB3 GLU 47 HB1 GLU 47 -3.081 1.728 -6.106 927 HG2 GLU 47 HG2 GLU 47 -5.257 0.766 -6.388 928 HG3 GLU 47 HG1 GLU 47 -6.025 2.203 -5.715 929 H ALA 48 HN ALA 48 -3.086 3.971 -3.259 930 HA ALA 48 HA ALA 48 -0.312 3.507 -3.074 931 HB1 ALA 48 HB1 ALA 48 -0.231 5.596 -1.816 932 HB2 ALA 48 HB2 ALA 48 -1.984 5.563 -1.635 933 HB3 ALA 48 HB3 ALA 48 -1.267 5.749 -3.235 934 H GLU 49 HN GLU 49 -2.943 3.203 -0.738 935 HA GLU 49 HA GLU 49 -1.351 2.709 1.526 936 HB2 GLU 49 HB2 GLU 49 -4.143 1.734 0.899 937 HB3 GLU 49 HB1 GLU 49 -3.379 1.639 2.480 938 HG2 GLU 49 HG2 GLU 49 -3.141 4.136 2.402 939 HG3 GLU 49 HG1 GLU 49 -4.153 4.111 0.959 940 H LYS 50 HN LYS 50 -2.552 0.577 -1.012 941 HA LYS 50 HA LYS 50 -1.633 -1.838 0.154 942 HB2 LYS 50 HB2 LYS 50 -2.484 -1.002 -2.574 943 HB3 LYS 50 HB1 LYS 50 -1.577 -2.500 -2.418 944 HG2 LYS 50 HG2 LYS 50 -3.257 -3.276 -0.763 945 HG3 LYS 50 HG1 LYS 50 -4.196 -1.820 -1.105 946 HD2 LYS 50 HD2 LYS 50 -4.590 -2.475 -3.335 947 HD3 LYS 50 HD1 LYS 50 -3.346 -3.724 -3.270 948 HE2 LYS 50 HE2 LYS 50 -5.536 -4.740 -3.166 949 HE3 LYS 50 HE1 LYS 50 -4.698 -4.959 -1.634 950 HZ1 LYS 50 HZ1 LYS 50 -6.960 -4.347 -1.227 951 HZ2 LYS 50 HZ2 LYS 50 -6.834 -2.982 -2.219 952 HZ3 LYS 50 HZ3 LYS 50 -5.970 -3.054 -0.758 953 H ALA 51 HN ALA 51 -0.084 0.645 -1.747 954 HA ALA 51 HA ALA 51 2.255 -0.902 -2.338 955 HB1 ALA 51 HB1 ALA 51 1.846 2.082 -2.460 956 HB2 ALA 51 HB2 ALA 51 1.554 0.944 -3.775 957 HB3 ALA 51 HB3 ALA 51 3.192 1.188 -3.167 958 H GLY 52 HN GLY 52 1.132 0.426 0.485 959 HA2 GLY 52 HA2 GLY 52 2.241 0.246 2.553 960 HA3 GLY 52 HA1 GLY 52 3.778 0.213 1.702 961 H VAL 53 HN VAL 53 1.568 2.617 0.715 962 HA VAL 53 HA VAL 53 3.329 4.686 1.723 963 HB VAL 53 HB VAL 53 0.851 4.876 -0.005 964 HG11 VAL 53 HG11 VAL 53 2.913 6.978 0.651 965 HG12 VAL 53 HG12 VAL 53 1.240 6.952 1.208 966 HG13 VAL 53 HG13 VAL 53 1.594 7.153 -0.508 967 HG21 VAL 53 HG21 VAL 53 2.431 5.264 -1.837 968 HG22 VAL 53 HG22 VAL 53 2.664 3.680 -1.096 969 HG23 VAL 53 HG23 VAL 53 3.776 4.998 -0.728 970 H LYS 54 HN LYS 54 3.030 5.588 3.644 971 HA LYS 54 HA LYS 54 0.352 5.539 4.840 972 HB2 LYS 54 HB2 LYS 54 3.041 6.082 6.109 973 HB3 LYS 54 HB1 LYS 54 1.505 6.072 6.962 974 HG2 LYS 54 HG2 LYS 54 1.221 3.694 6.337 975 HG3 LYS 54 HG1 LYS 54 2.830 3.731 5.610 976 HD2 LYS 54 HD2 LYS 54 3.771 4.383 7.796 977 HD3 LYS 54 HD1 LYS 54 2.160 4.259 8.503 978 HE2 LYS 54 HE2 LYS 54 2.084 1.886 7.907 979 HE3 LYS 54 HE1 LYS 54 3.696 2.013 7.202 980 HZ1 LYS 54 HZ1 LYS 54 4.469 2.742 9.451 981 HZ2 LYS 54 HZ2 LYS 54 3.948 1.134 9.369 982 HZ3 LYS 54 HZ3 LYS 54 2.945 2.314 10.055 983 H SER 55 HN SER 55 2.647 7.618 3.402 984 HA SER 55 HA SER 55 0.912 9.897 3.953 985 HB2 SER 55 HB2 SER 55 3.908 9.955 4.408 986 HB3 SER 55 HB1 SER 55 2.821 11.336 4.535 987 HG SER 55 HG SER 55 1.759 10.231 6.248 988 H VAL 56 HN VAL 56 0.893 11.439 2.333 989 HA VAL 56 HA VAL 56 1.978 10.688 -0.209 990 HB VAL 56 HB VAL 56 1.054 12.913 -0.971 991 HG11 VAL 56 HG11 VAL 56 -1.268 12.159 -0.824 992 HG12 VAL 56 HG12 VAL 56 -0.811 11.007 0.431 993 HG13 VAL 56 HG13 VAL 56 -0.172 10.833 -1.204 994 HG21 VAL 56 HG21 VAL 56 1.137 14.110 1.147 995 HG22 VAL 56 HG22 VAL 56 -0.022 12.979 1.846 996 HG23 VAL 56 HG23 VAL 56 -0.514 14.048 0.532 997 HA PRO 57 HA PRO 57 4.865 12.961 -2.211 998 HB2 PRO 57 HB2 PRO 57 5.622 14.473 0.278 999 HB3 PRO 57 HB1 PRO 57 6.107 14.784 -1.401 1000 HG2 PRO 57 HG2 PRO 57 3.825 15.859 -0.153 1001 HG3 PRO 57 HG1 PRO 57 4.110 15.796 -1.902 1002 HD2 PRO 57 HD2 PRO 57 2.044 14.451 -0.558 1003 HD3 PRO 57 HD1 PRO 57 2.652 14.021 -2.178 1004 H ALA 58 HN ALA 58 5.135 10.764 -2.125 1005 HA ALA 58 HA ALA 58 7.530 9.933 -0.703 1006 HB1 ALA 58 HB1 ALA 58 4.953 8.365 -0.524 1007 HB2 ALA 58 HB2 ALA 58 5.713 9.249 0.799 1008 HB3 ALA 58 HB3 ALA 58 6.524 7.852 0.092 1009 H LEU 59 HN LEU 59 8.504 8.029 -1.697 1010 HA LEU 59 HA LEU 59 7.418 7.417 -4.370 1011 HB2 LEU 59 HB2 LEU 59 9.419 9.014 -4.313 1012 HB3 LEU 59 HB1 LEU 59 10.362 7.647 -3.760 1013 HG LEU 59 HG LEU 59 8.834 7.550 -6.355 1014 HD11 LEU 59 HD11 LEU 59 11.658 8.517 -5.920 1015 HD12 LEU 59 HD12 LEU 59 10.293 9.499 -6.451 1016 HD13 LEU 59 HD13 LEU 59 10.904 8.209 -7.485 1017 HD21 LEU 59 HD21 LEU 59 10.510 5.866 -6.924 1018 HD22 LEU 59 HD22 LEU 59 9.637 5.422 -5.459 1019 HD23 LEU 59 HD23 LEU 59 11.270 6.079 -5.348 1020 H VAL 60 HN VAL 60 7.211 5.316 -4.788 1021 HA VAL 60 HA VAL 60 8.340 3.407 -2.858 1022 HB VAL 60 HB VAL 60 6.079 2.997 -4.825 1023 HG11 VAL 60 HG11 VAL 60 7.234 0.927 -4.266 1024 HG12 VAL 60 HG12 VAL 60 5.624 0.959 -3.547 1025 HG13 VAL 60 HG13 VAL 60 7.043 1.271 -2.547 1026 HG21 VAL 60 HG21 VAL 60 5.463 4.617 -3.118 1027 HG22 VAL 60 HG22 VAL 60 5.987 3.506 -1.853 1028 HG23 VAL 60 HG23 VAL 60 4.604 3.097 -2.869 1029 H ILE 61 HN ILE 61 10.166 2.494 -3.523 1030 HA ILE 61 HA ILE 61 10.652 2.034 -6.365 1031 HB ILE 61 HB ILE 61 12.441 1.456 -3.992 1032 HG12 ILE 61 HG12 ILE 61 12.507 3.752 -5.967 1033 HG13 ILE 61 HG11 ILE 61 11.987 3.867 -4.288 1034 HG21 ILE 61 HG21 ILE 61 13.033 1.465 -6.950 1035 HG22 ILE 61 HG22 ILE 61 12.957 0.046 -5.905 1036 HG23 ILE 61 HG23 ILE 61 14.224 1.249 -5.667 1037 HD11 ILE 61 HD11 ILE 61 14.752 3.147 -5.233 1038 HD12 ILE 61 HD12 ILE 61 14.232 3.266 -3.551 1039 HD13 ILE 61 HD13 ILE 61 14.246 4.703 -4.575 1040 H ASP 62 HN ASP 62 9.677 0.298 -7.154 1041 HA ASP 62 HA ASP 62 8.843 -1.775 -7.435 1042 HB2 ASP 62 HB2 ASP 62 11.144 -2.381 -5.615 1043 HB3 ASP 62 HB1 ASP 62 10.009 -3.652 -6.052 1044 H GLY 63 HN GLY 63 9.680 -2.260 -4.054 1045 HA2 GLY 63 HA2 GLY 63 6.815 -2.202 -3.382 1046 HA3 GLY 63 HA1 GLY 63 7.786 -3.604 -2.956 1047 H ALA 64 HN ALA 64 9.590 -0.771 -2.803 1048 HA ALA 64 HA ALA 64 9.250 -0.682 0.120 1049 HB1 ALA 64 HB1 ALA 64 11.540 0.143 0.233 1050 HB2 ALA 64 HB2 ALA 64 11.652 0.103 -1.526 1051 HB3 ALA 64 HB3 ALA 64 11.471 -1.399 -0.621 1052 H ALA 65 HN ALA 65 8.296 1.058 0.911 1053 HA ALA 65 HA ALA 65 7.870 3.345 -0.857 1054 HB1 ALA 65 HB1 ALA 65 6.133 4.005 0.716 1055 HB2 ALA 65 HB2 ALA 65 6.600 2.695 1.801 1056 HB3 ALA 65 HB3 ALA 65 5.919 2.328 0.215 1057 H PHE 66 HN PHE 66 9.176 5.022 -0.734 1058 HA PHE 66 HA PHE 66 10.384 5.682 1.870 1059 HB2 PHE 66 HB2 PHE 66 11.428 6.293 -0.902 1060 HB3 PHE 66 HB1 PHE 66 12.202 6.758 0.610 1061 HD1 PHE 66 HD1 PHE 66 12.994 4.943 2.162 1062 HD2 PHE 66 HD2 PHE 66 11.800 4.197 -1.852 1063 HE1 PHE 66 HE1 PHE 66 14.195 2.799 2.208 1064 HE2 PHE 66 HE2 PHE 66 12.999 2.052 -1.814 1065 HZ PHE 66 HZ PHE 66 14.197 1.350 0.220 1066 H HIS 67 HN HIS 67 9.195 7.225 2.751 1067 HA HIS 67 HA HIS 67 7.797 9.219 1.253 1068 HB2 HIS 67 HB2 HIS 67 8.476 9.153 4.208 1069 HB3 HIS 67 HB1 HIS 67 7.271 10.186 3.447 1070 HD1 HIS 67 HD1 HIS 67 7.869 6.584 4.426 1071 HD2 HIS 67 HD2 HIS 67 4.828 9.004 2.949 1072 HE1 HIS 67 HE1 HIS 67 5.744 5.223 4.568 1073 H ILE 68 HN ILE 68 8.683 10.994 0.357 1074 HA ILE 68 HA ILE 68 11.452 11.619 1.130 1075 HB ILE 68 HB ILE 68 9.989 12.376 -1.406 1076 HG12 ILE 68 HG12 ILE 68 12.103 10.259 -0.929 1077 HG13 ILE 68 HG11 ILE 68 10.392 9.941 -1.202 1078 HG21 ILE 68 HG21 ILE 68 11.743 13.960 -0.811 1079 HG22 ILE 68 HG22 ILE 68 12.212 13.014 -2.224 1080 HG23 ILE 68 HG23 ILE 68 12.898 12.637 -0.643 1081 HD11 ILE 68 HD11 ILE 68 11.695 9.559 -3.210 1082 HD12 ILE 68 HD12 ILE 68 12.287 11.220 -3.160 1083 HD13 ILE 68 HD13 ILE 68 10.574 10.901 -3.436 1084 H ASN 69 HN ASN 69 11.421 13.102 2.674 1085 HA ASN 69 HA ASN 69 10.887 14.902 3.932 1086 HB2 ASN 69 HB2 ASN 69 10.383 15.986 1.180 1087 HB3 ASN 69 HB1 ASN 69 9.934 16.945 2.588 1088 HD21 ASN 69 HD21 ASN 69 11.955 17.476 0.567 1089 HD22 ASN 69 HD22 ASN 69 13.457 17.635 1.417 1090 H PHE 70 HN PHE 70 9.347 14.316 5.256 1091 HA PHE 70 HA PHE 70 6.994 13.096 4.805 1092 HB2 PHE 70 HB2 PHE 70 7.972 13.427 7.035 1093 HB3 PHE 70 HB1 PHE 70 7.494 15.119 6.996 1094 HD1 PHE 70 HD1 PHE 70 6.168 11.663 6.984 1095 HD2 PHE 70 HD2 PHE 70 5.358 15.780 7.695 1096 HE1 PHE 70 HE1 PHE 70 4.001 11.061 7.985 1097 HE2 PHE 70 HE2 PHE 70 3.191 15.185 8.697 1098 HZ PHE 70 HZ PHE 70 2.510 12.823 8.843 1099 H GLY 71 HN GLY 71 5.606 13.680 3.269 1100 HA2 GLY 71 HA2 GLY 71 4.834 16.404 2.836 1101 HA3 GLY 71 HA1 GLY 71 4.175 14.986 2.030 1102 H ALA 72 HN ALA 72 2.383 13.937 2.879 1103 HA ALA 72 HA ALA 72 1.199 15.178 5.273 1104 HB1 ALA 72 HB1 ALA 72 0.300 16.466 3.403 1105 HB2 ALA 72 HB2 ALA 72 -0.961 15.537 4.212 1106 HB3 ALA 72 HB3 ALA 72 -0.309 14.983 2.670 1107 H GLY 73 HN GLY 73 -0.326 13.877 6.378 1108 HA2 GLY 73 HA2 GLY 73 -0.002 11.082 6.103 1109 HA3 GLY 73 HA1 GLY 73 -1.245 11.879 7.060 1110 H ILE 74 HN ILE 74 -0.984 9.621 4.814 1111 HA ILE 74 HA ILE 74 -2.742 10.583 2.770 1112 HB ILE 74 HB ILE 74 -1.042 8.745 2.434 1113 HG12 ILE 74 HG12 ILE 74 -3.901 8.100 1.674 1114 HG13 ILE 74 HG11 ILE 74 -2.849 9.223 0.818 1115 HG21 ILE 74 HG21 ILE 74 -3.116 7.079 3.859 1116 HG22 ILE 74 HG22 ILE 74 -1.492 7.444 4.442 1117 HG23 ILE 74 HG23 ILE 74 -1.708 6.453 2.999 1118 HD11 ILE 74 HD11 ILE 74 -2.397 6.264 1.125 1119 HD12 ILE 74 HD12 ILE 74 -1.345 7.387 0.262 1120 HD13 ILE 74 HD13 ILE 74 -2.982 7.085 -0.321 1121 H ASP 75 HN ASP 75 -3.140 9.013 5.832 1122 HA ASP 75 HA ASP 75 -5.857 8.175 5.336 1123 HB2 ASP 75 HB2 ASP 75 -4.267 7.019 6.925 1124 HB3 ASP 75 HB1 ASP 75 -4.431 8.409 7.993 1125 H ASP 76 HN ASP 76 -4.194 10.952 6.423 1126 HA ASP 76 HA ASP 76 -6.338 12.249 7.779 1127 HB2 ASP 76 HB2 ASP 76 -3.850 13.387 6.480 1128 HB3 ASP 76 HB1 ASP 76 -4.940 14.287 7.529 1129 H LEU 77 HN LEU 77 -5.298 11.972 4.475 1130 HA LEU 77 HA LEU 77 -6.777 14.178 3.450 1131 HB2 LEU 77 HB2 LEU 77 -5.741 11.730 2.019 1132 HB3 LEU 77 HB1 LEU 77 -6.310 13.198 1.249 1133 HG LEU 77 HG LEU 77 -3.876 12.970 3.023 1134 HD11 LEU 77 HD11 LEU 77 -4.136 13.362 0.046 1135 HD12 LEU 77 HD12 LEU 77 -3.561 11.907 0.860 1136 HD13 LEU 77 HD13 LEU 77 -2.630 13.402 0.963 1137 HD21 LEU 77 HD21 LEU 77 -4.957 15.152 3.222 1138 HD22 LEU 77 HD22 LEU 77 -4.948 15.321 1.466 1139 HD23 LEU 77 HD23 LEU 77 -3.426 15.275 2.355 1140 H LYS 78 HN LYS 78 -7.665 11.069 4.479 1141 HA LYS 78 HA LYS 78 -9.899 10.660 2.748 1142 HB2 LYS 78 HB2 LYS 78 -9.346 9.479 5.476 1143 HB3 LYS 78 HB1 LYS 78 -10.521 8.885 4.311 1144 HG2 LYS 78 HG2 LYS 78 -8.771 8.259 2.787 1145 HG3 LYS 78 HG1 LYS 78 -7.550 8.986 3.835 1146 HD2 LYS 78 HD2 LYS 78 -8.184 7.390 5.614 1147 HD3 LYS 78 HD1 LYS 78 -9.313 6.629 4.491 1148 HE2 LYS 78 HE2 LYS 78 -7.500 6.007 3.026 1149 HE3 LYS 78 HE1 LYS 78 -6.344 6.879 4.033 1150 HZ1 LYS 78 HZ1 LYS 78 -6.299 4.493 4.457 1151 HZ2 LYS 78 HZ2 LYS 78 -7.940 4.526 4.893 1152 HZ3 LYS 78 HZ3 LYS 78 -6.800 5.353 5.837 1153 H GLY 79 HN GLY 79 -11.273 12.391 2.760 1154 HA2 GLY 79 HA2 GLY 79 -13.069 12.585 4.988 1155 HA3 GLY 79 HA1 GLY 79 -12.050 14.008 4.822 1156 H SER 80 HN SER 80 -11.942 14.813 2.458 1157 HA SER 80 HA SER 80 -14.326 14.393 0.902 1158 HB2 SER 80 HB2 SER 80 -15.102 15.998 2.644 1159 HB3 SER 80 HB1 SER 80 -13.834 17.117 2.146 1160 HG SER 80 HG SER 80 -14.858 17.477 0.262 Start of MODEL 10 1 H1 VAL 1 HT1 VAL 1 24.511 19.333 -13.213 2 H2 VAL 1 HT2 VAL 1 25.638 18.937 -12.009 3 H3 VAL 1 HT3 VAL 1 24.034 18.413 -11.875 4 HA VAL 1 HA VAL 1 24.257 16.982 -13.753 5 HB VAL 1 HB VAL 1 27.170 17.776 -13.852 6 HG11 VAL 1 HG11 VAL 1 27.166 16.526 -15.958 7 HG12 VAL 1 HG12 VAL 1 25.470 16.111 -15.705 8 HG13 VAL 1 HG13 VAL 1 26.700 15.507 -14.595 9 HG21 VAL 1 HG21 VAL 1 24.935 18.631 -15.687 10 HG22 VAL 1 HG22 VAL 1 26.652 18.932 -15.952 11 HG23 VAL 1 HG23 VAL 1 25.828 19.669 -14.577 12 H ALA 2 HN ALA 2 27.517 17.007 -12.376 13 HA ALA 2 HA ALA 2 26.798 14.631 -10.811 14 HB1 ALA 2 HB1 ALA 2 28.680 14.360 -12.354 15 HB2 ALA 2 HB2 ALA 2 29.194 14.184 -10.675 16 HB3 ALA 2 HB3 ALA 2 29.531 15.679 -11.550 17 H SER 3 HN SER 3 25.733 15.851 -9.208 18 HA SER 3 HA SER 3 27.174 17.931 -7.814 19 HB2 SER 3 HB2 SER 3 24.418 16.763 -7.400 20 HB3 SER 3 HB1 SER 3 25.069 18.133 -6.504 21 HG SER 3 HG SER 3 24.168 19.197 -8.086 22 H LYS 4 HN LYS 4 26.786 17.881 -5.324 23 HA LYS 4 HA LYS 4 27.862 15.335 -4.347 24 HB2 LYS 4 HB2 LYS 4 29.332 17.207 -3.961 25 HB3 LYS 4 HB1 LYS 4 28.028 18.143 -3.248 26 HG2 LYS 4 HG2 LYS 4 27.956 16.684 -1.338 27 HG3 LYS 4 HG1 LYS 4 29.140 15.602 -2.077 28 HD2 LYS 4 HD2 LYS 4 30.110 17.128 -0.370 29 HD3 LYS 4 HD1 LYS 4 30.839 17.296 -1.968 30 HE2 LYS 4 HE2 LYS 4 29.274 19.220 -2.369 31 HE3 LYS 4 HE1 LYS 4 28.817 19.113 -0.669 32 HZ1 LYS 4 HZ1 LYS 4 30.586 20.772 -1.211 33 HZ2 LYS 4 HZ2 LYS 4 31.618 19.477 -1.567 34 HZ3 LYS 4 HZ3 LYS 4 30.997 19.662 -0.001 35 H ALA 5 HN ALA 5 26.706 14.132 -3.011 36 HA ALA 5 HA ALA 5 24.259 15.296 -1.847 37 HB1 ALA 5 HB1 ALA 5 24.667 12.482 -2.864 38 HB2 ALA 5 HB2 ALA 5 23.750 13.750 -3.678 39 HB3 ALA 5 HB3 ALA 5 23.197 13.118 -2.128 40 H ILE 6 HN ILE 6 24.354 15.371 0.286 41 HA ILE 6 HA ILE 6 26.168 13.524 1.682 42 HB ILE 6 HB ILE 6 24.958 16.088 2.733 43 HG12 ILE 6 HG12 ILE 6 26.514 16.533 0.876 44 HG13 ILE 6 HG11 ILE 6 27.177 17.082 2.411 45 HG21 ILE 6 HG21 ILE 6 26.640 15.861 4.507 46 HG22 ILE 6 HG22 ILE 6 27.143 14.317 3.820 47 HG23 ILE 6 HG23 ILE 6 25.518 14.502 4.481 48 HD11 ILE 6 HD11 ILE 6 27.911 14.536 0.986 49 HD12 ILE 6 HD12 ILE 6 28.586 15.099 2.516 50 HD13 ILE 6 HD13 ILE 6 28.870 16.016 1.036 51 H PHE 7 HN PHE 7 25.231 11.842 2.614 52 HA PHE 7 HA PHE 7 22.365 11.990 3.222 53 HB2 PHE 7 HB2 PHE 7 23.204 10.207 1.680 54 HB3 PHE 7 HB1 PHE 7 24.131 9.544 3.019 55 HD1 PHE 7 HD1 PHE 7 20.620 10.654 2.395 56 HD2 PHE 7 HD2 PHE 7 23.219 7.706 4.027 57 HE1 PHE 7 HE1 PHE 7 18.671 9.304 3.050 58 HE2 PHE 7 HE2 PHE 7 21.272 6.352 4.688 59 HZ PHE 7 HZ PHE 7 18.996 7.150 4.199 60 H TYR 8 HN TYR 8 22.025 12.647 5.239 61 HA TYR 8 HA TYR 8 23.784 11.781 7.410 62 HB2 TYR 8 HB2 TYR 8 21.487 13.743 7.298 63 HB3 TYR 8 HB1 TYR 8 22.276 13.283 8.798 64 HD1 TYR 8 HD1 TYR 8 24.595 13.979 9.240 65 HD2 TYR 8 HD2 TYR 8 22.515 15.276 5.765 66 HE1 TYR 8 HE1 TYR 8 26.243 15.776 8.934 67 HE2 TYR 8 HE2 TYR 8 24.161 17.074 5.445 68 HH TYR 8 HH TYR 8 25.766 18.373 6.836 69 H HIS 9 HN HIS 9 23.264 10.116 8.729 70 HA HIS 9 HA HIS 9 20.507 9.716 9.453 71 HB2 HIS 9 HB2 HIS 9 20.292 7.424 8.805 72 HB3 HIS 9 HB1 HIS 9 20.717 8.361 7.384 73 HD2 HIS 9 HD2 HIS 9 23.085 7.679 6.168 74 HE1 HIS 9 HE1 HIS 9 23.878 4.408 8.725 75 HE2 HIS 9 HE2 HIS 9 24.273 5.386 6.420 76 H ALA 10 HN ALA 10 20.403 7.679 10.998 77 HA ALA 10 HA ALA 10 22.621 8.122 12.885 78 HB1 ALA 10 HB1 ALA 10 21.028 7.795 14.685 79 HB2 ALA 10 HB2 ALA 10 19.747 7.480 13.514 80 HB3 ALA 10 HB3 ALA 10 20.486 9.078 13.602 81 H GLY 11 HN GLY 11 21.213 5.768 10.949 82 HA2 GLY 11 HA2 GLY 11 22.272 3.645 10.741 83 HA3 GLY 11 HA1 GLY 11 22.687 3.719 12.444 84 H CYS 12 HN CYS 12 19.618 4.666 12.551 85 HA CYS 12 HA CYS 12 18.620 2.184 13.455 86 HB2 CYS 12 HB2 CYS 12 16.415 3.348 13.523 87 HB3 CYS 12 HB1 CYS 12 17.701 4.241 14.326 88 HG CYS 12 HG CYS 12 16.964 6.409 13.179 89 HA PRO 13 HA PRO 13 17.120 -0.160 10.066 90 HB2 PRO 13 HB2 PRO 13 14.353 0.294 11.106 91 HB3 PRO 13 HB1 PRO 13 15.135 -1.211 10.608 92 HG2 PRO 13 HG2 PRO 13 14.877 -0.633 13.183 93 HG3 PRO 13 HG1 PRO 13 16.365 -1.378 12.572 94 HD2 PRO 13 HD2 PRO 13 15.866 1.431 13.426 95 HD3 PRO 13 HD1 PRO 13 17.345 0.458 13.544 96 H VAL 14 HN VAL 14 15.052 2.659 10.735 97 HA VAL 14 HA VAL 14 13.884 2.934 8.217 98 HB VAL 14 HB VAL 14 14.644 5.175 10.101 99 HG11 VAL 14 HG11 VAL 14 12.760 6.366 9.095 100 HG12 VAL 14 HG12 VAL 14 12.499 5.018 7.989 101 HG13 VAL 14 HG13 VAL 14 13.986 5.962 7.894 102 HG21 VAL 14 HG21 VAL 14 12.399 4.906 11.051 103 HG22 VAL 14 HG22 VAL 14 13.381 3.457 11.278 104 HG23 VAL 14 HG23 VAL 14 12.139 3.495 10.026 105 H CYS 15 HN CYS 15 16.981 4.062 9.445 106 HA CYS 15 HA CYS 15 17.653 5.643 7.169 107 HB2 CYS 15 HB2 CYS 15 19.444 4.441 9.292 108 HB3 CYS 15 HB1 CYS 15 19.901 5.705 8.155 109 HG CYS 15 HG CYS 15 17.453 6.068 10.523 110 H VAL 16 HN VAL 16 18.304 2.340 8.204 111 HA VAL 16 HA VAL 16 20.204 1.666 6.249 112 HB VAL 16 HB VAL 16 18.223 -0.179 7.598 113 HG11 VAL 16 HG11 VAL 16 19.896 -1.924 7.154 114 HG12 VAL 16 HG12 VAL 16 20.867 -0.752 6.262 115 HG13 VAL 16 HG13 VAL 16 19.272 -1.212 5.665 116 HG21 VAL 16 HG21 VAL 16 19.506 1.092 9.233 117 HG22 VAL 16 HG22 VAL 16 21.008 0.627 8.434 118 HG23 VAL 16 HG23 VAL 16 20.012 -0.598 9.221 119 H SER 17 HN SER 17 16.667 1.322 6.282 120 HA SER 17 HA SER 17 16.354 0.044 3.825 121 HB2 SER 17 HB2 SER 17 14.488 2.094 5.045 122 HB3 SER 17 HB1 SER 17 14.059 0.829 3.893 123 HG SER 17 HG SER 17 14.203 -0.666 5.432 124 H ALA 18 HN ALA 18 16.581 3.491 4.596 125 HA ALA 18 HA ALA 18 16.085 4.408 1.956 126 HB1 ALA 18 HB1 ALA 18 17.482 5.811 4.229 127 HB2 ALA 18 HB2 ALA 18 15.744 5.817 3.925 128 HB3 ALA 18 HB3 ALA 18 16.844 6.573 2.772 129 H GLU 19 HN GLU 19 19.021 3.682 3.774 130 HA GLU 19 HA GLU 19 20.830 4.726 1.856 131 HB2 GLU 19 HB2 GLU 19 21.344 4.284 4.275 132 HB3 GLU 19 HB1 GLU 19 21.368 2.567 3.902 133 HG2 GLU 19 HG2 GLU 19 23.192 3.006 2.275 134 HG3 GLU 19 HG1 GLU 19 23.217 4.681 2.825 135 H GLN 20 HN GLN 20 19.629 1.445 2.507 136 HA GLN 20 HA GLN 20 21.261 0.196 0.551 137 HB2 GLN 20 HB2 GLN 20 20.322 -1.024 2.465 138 HB3 GLN 20 HB1 GLN 20 18.701 -0.784 1.829 139 HG2 GLN 20 HG2 GLN 20 19.496 -3.026 1.357 140 HG3 GLN 20 HG1 GLN 20 19.269 -2.116 -0.136 141 HE21 GLN 20 HE21 GLN 20 20.686 -3.351 -1.330 142 HE22 GLN 20 HE22 GLN 20 22.401 -3.316 -1.081 143 H ALA 21 HN ALA 21 18.140 1.747 0.389 144 HA ALA 21 HA ALA 21 17.686 0.616 -2.271 145 HB1 ALA 21 HB1 ALA 21 15.438 1.503 -2.108 146 HB2 ALA 21 HB2 ALA 21 15.844 2.299 -0.587 147 HB3 ALA 21 HB3 ALA 21 15.829 0.538 -0.685 148 H VAL 22 HN VAL 22 17.236 3.864 -0.845 149 HA VAL 22 HA VAL 22 17.131 5.097 -3.388 150 HB VAL 22 HB VAL 22 17.676 6.447 -0.742 151 HG11 VAL 22 HG11 VAL 22 16.666 8.407 -1.805 152 HG12 VAL 22 HG12 VAL 22 16.492 7.502 -3.310 153 HG13 VAL 22 HG13 VAL 22 18.099 7.865 -2.679 154 HG21 VAL 22 HG21 VAL 22 15.035 5.809 -2.053 155 HG22 VAL 22 HG22 VAL 22 15.254 6.778 -0.596 156 HG23 VAL 22 HG23 VAL 22 15.675 5.066 -0.588 157 H ALA 23 HN ALA 23 19.691 5.011 -0.908 158 HA ALA 23 HA ALA 23 21.459 6.654 -2.445 159 HB1 ALA 23 HB1 ALA 23 22.057 4.921 -0.051 160 HB2 ALA 23 HB2 ALA 23 21.537 6.606 -0.001 161 HB3 ALA 23 HB3 ALA 23 23.097 6.186 -0.709 162 H ASN 24 HN ASN 24 20.523 3.520 -2.872 163 HA ASN 24 HA ASN 24 23.125 2.660 -3.938 164 HB2 ASN 24 HB2 ASN 24 21.625 1.239 -2.333 165 HB3 ASN 24 HB1 ASN 24 20.686 0.914 -3.783 166 HD21 ASN 24 HD21 ASN 24 22.181 -0.894 -2.110 167 HD22 ASN 24 HD22 ASN 24 23.360 -1.658 -3.118 168 H ALA 25 HN ALA 25 19.883 3.548 -4.784 169 HA ALA 25 HA ALA 25 19.967 2.558 -7.472 170 HB1 ALA 25 HB1 ALA 25 17.853 2.822 -6.262 171 HB2 ALA 25 HB2 ALA 25 17.864 3.746 -7.763 172 HB3 ALA 25 HB3 ALA 25 18.099 4.568 -6.220 173 H ILE 26 HN ILE 26 20.840 5.516 -5.865 174 HA ILE 26 HA ILE 26 21.002 7.123 -8.222 175 HB ILE 26 HB ILE 26 22.331 7.520 -5.533 176 HG12 ILE 26 HG12 ILE 26 19.775 8.695 -6.654 177 HG13 ILE 26 HG11 ILE 26 19.862 7.434 -5.428 178 HG21 ILE 26 HG21 ILE 26 22.558 9.864 -6.214 179 HG22 ILE 26 HG22 ILE 26 21.898 9.464 -7.800 180 HG23 ILE 26 HG23 ILE 26 23.444 8.786 -7.293 181 HD11 ILE 26 HD11 ILE 26 20.893 10.247 -5.137 182 HD12 ILE 26 HD12 ILE 26 20.962 8.985 -3.907 183 HD13 ILE 26 HD13 ILE 26 19.403 9.607 -4.445 184 H ASP 27 HN ASP 27 22.628 7.332 -9.635 185 HA ASP 27 HA ASP 27 24.707 5.417 -9.730 186 HB2 ASP 27 HB2 ASP 27 23.637 6.562 -11.707 187 HB3 ASP 27 HB1 ASP 27 24.554 8.005 -11.285 188 HA PRO 28 HA PRO 28 27.481 7.341 -6.848 189 HB2 PRO 28 HB2 PRO 28 29.503 5.629 -8.170 190 HB3 PRO 28 HB1 PRO 28 29.029 5.707 -6.471 191 HG2 PRO 28 HG2 PRO 28 28.302 3.648 -7.999 192 HG3 PRO 28 HG1 PRO 28 27.200 4.318 -6.780 193 HD2 PRO 28 HD2 PRO 28 27.211 4.714 -9.749 194 HD3 PRO 28 HD1 PRO 28 25.837 4.471 -8.649 195 H SER 29 HN SER 29 28.126 7.206 -10.292 196 HA SER 29 HA SER 29 30.261 9.180 -10.040 197 HB2 SER 29 HB2 SER 29 29.180 7.728 -12.466 198 HB3 SER 29 HB1 SER 29 30.562 8.824 -12.469 199 HG SER 29 HG SER 29 30.728 6.312 -12.123 200 H LYS 30 HN LYS 30 26.928 9.000 -10.614 201 HA LYS 30 HA LYS 30 26.749 11.489 -12.086 202 HB2 LYS 30 HB2 LYS 30 25.158 9.644 -12.496 203 HB3 LYS 30 HB1 LYS 30 24.594 9.772 -10.838 204 HG2 LYS 30 HG2 LYS 30 23.776 12.030 -11.289 205 HG3 LYS 30 HG1 LYS 30 24.340 11.896 -12.957 206 HD2 LYS 30 HD2 LYS 30 22.846 9.980 -13.299 207 HD3 LYS 30 HD1 LYS 30 22.277 10.134 -11.636 208 HE2 LYS 30 HE2 LYS 30 21.397 12.349 -12.125 209 HE3 LYS 30 HE1 LYS 30 22.009 12.242 -13.775 210 HZ1 LYS 30 HZ1 LYS 30 19.916 10.530 -12.555 211 HZ2 LYS 30 HZ2 LYS 30 20.556 10.302 -14.110 212 HZ3 LYS 30 HZ3 LYS 30 19.684 11.713 -13.745 213 H TYR 31 HN TYR 31 26.350 10.302 -8.817 214 HA TYR 31 HA TYR 31 26.350 13.078 -7.883 215 HB2 TYR 31 HB2 TYR 31 24.351 10.958 -7.214 216 HB3 TYR 31 HB1 TYR 31 24.814 12.108 -5.966 217 HD1 TYR 31 HD1 TYR 31 23.268 11.789 -9.317 218 HD2 TYR 31 HD2 TYR 31 24.010 14.333 -5.988 219 HE1 TYR 31 HE1 TYR 31 21.661 13.422 -10.211 220 HE2 TYR 31 HE2 TYR 31 22.407 15.970 -6.875 221 HH TYR 31 HH TYR 31 21.298 16.602 -8.813 222 H THR 32 HN THR 32 27.934 13.405 -6.497 223 HA THR 32 HA THR 32 29.452 11.240 -5.391 224 HB THR 32 HB THR 32 29.584 14.182 -4.680 225 HG1 THR 32 HG1 THR 32 30.332 14.384 -6.656 226 HG21 THR 32 HG21 THR 32 31.891 13.668 -4.026 227 HG22 THR 32 HG22 THR 32 31.624 11.969 -4.414 228 HG23 THR 32 HG23 THR 32 30.736 12.721 -3.089 229 H VAL 33 HN VAL 33 28.178 10.040 -4.029 230 HA VAL 33 HA VAL 33 26.574 11.400 -2.013 231 HB VAL 33 HB VAL 33 26.742 8.446 -2.639 232 HG11 VAL 33 HG11 VAL 33 25.980 8.882 -0.368 233 HG12 VAL 33 HG12 VAL 33 24.656 8.280 -1.364 234 HG13 VAL 33 HG13 VAL 33 24.758 9.997 -0.978 235 HG21 VAL 33 HG21 VAL 33 25.879 9.689 -4.542 236 HG22 VAL 33 HG22 VAL 33 24.707 10.499 -3.503 237 HG23 VAL 33 HG23 VAL 33 24.589 8.760 -3.777 238 H GLU 34 HN GLU 34 27.673 11.986 -0.262 239 HA GLU 34 HA GLU 34 29.495 10.026 0.962 240 HB2 GLU 34 HB2 GLU 34 30.436 12.300 0.526 241 HB3 GLU 34 HB1 GLU 34 29.222 12.970 1.612 242 HG2 GLU 34 HG2 GLU 34 30.137 11.561 3.430 243 HG3 GLU 34 HG1 GLU 34 31.408 11.031 2.332 244 H ILE 35 HN ILE 35 28.895 9.047 2.780 245 HA ILE 35 HA ILE 35 26.295 9.767 3.898 246 HB ILE 35 HB ILE 35 27.963 7.272 4.259 247 HG12 ILE 35 HG12 ILE 35 25.420 7.751 2.687 248 HG13 ILE 35 HG11 ILE 35 27.025 7.575 1.991 249 HG21 ILE 35 HG21 ILE 35 25.168 7.884 5.208 250 HG22 ILE 35 HG22 ILE 35 26.597 7.698 6.225 251 HG23 ILE 35 HG23 ILE 35 25.971 6.318 5.323 252 HD11 ILE 35 HD11 ILE 35 25.538 5.463 3.534 253 HD12 ILE 35 HD12 ILE 35 27.137 5.285 2.808 254 HD13 ILE 35 HD13 ILE 35 25.723 5.534 1.782 255 H VAL 36 HN VAL 36 26.027 10.509 5.922 256 HA VAL 36 HA VAL 36 28.406 10.637 7.665 257 HB VAL 36 HB VAL 36 26.117 12.614 7.582 258 HG11 VAL 36 HG11 VAL 36 28.704 12.651 9.135 259 HG12 VAL 36 HG12 VAL 36 27.094 12.375 9.801 260 HG13 VAL 36 HG13 VAL 36 27.502 13.942 9.104 261 HG21 VAL 36 HG21 VAL 36 27.501 12.822 5.593 262 HG22 VAL 36 HG22 VAL 36 28.952 12.903 6.592 263 HG23 VAL 36 HG23 VAL 36 27.756 14.196 6.669 264 H HIS 37 HN HIS 37 28.200 9.319 9.320 265 HA HIS 37 HA HIS 37 25.557 8.456 10.192 266 HB2 HIS 37 HB2 HIS 37 27.521 6.876 9.738 267 HB3 HIS 37 HB1 HIS 37 28.226 7.495 11.226 268 HD2 HIS 37 HD2 HIS 37 25.481 5.071 10.017 269 HE1 HIS 37 HE1 HIS 37 25.623 4.956 14.243 270 HE2 HIS 37 HE2 HIS 37 24.887 3.725 12.154 271 H LEU 38 HN LEU 38 24.617 9.787 11.608 272 HA LEU 38 HA LEU 38 26.112 11.604 13.228 273 HB2 LEU 38 HB2 LEU 38 23.175 10.911 13.266 274 HB3 LEU 38 HB1 LEU 38 23.903 12.249 14.136 275 HG LEU 38 HG LEU 38 23.779 11.935 11.134 276 HD11 LEU 38 HD11 LEU 38 22.319 13.890 11.238 277 HD12 LEU 38 HD12 LEU 38 22.410 13.869 12.999 278 HD13 LEU 38 HD13 LEU 38 21.642 12.534 12.139 279 HD21 LEU 38 HD21 LEU 38 24.941 14.158 12.809 280 HD22 LEU 38 HD22 LEU 38 24.754 14.177 11.055 281 HD23 LEU 38 HD23 LEU 38 25.851 13.021 11.813 282 H GLY 39 HN GLY 39 25.088 8.386 13.668 283 HA2 GLY 39 HA2 GLY 39 25.030 8.473 16.554 284 HA3 GLY 39 HA1 GLY 39 24.980 7.029 15.550 285 H THR 40 HN THR 40 27.426 8.434 14.199 286 HA THR 40 HA THR 40 29.391 6.958 15.710 287 HB THR 40 HB THR 40 29.582 8.560 13.154 288 HG1 THR 40 HG1 THR 40 28.417 6.498 13.175 289 HG21 THR 40 HG21 THR 40 31.804 7.560 12.859 290 HG22 THR 40 HG22 THR 40 31.690 6.834 14.461 291 HG23 THR 40 HG23 THR 40 31.748 8.588 14.291 292 H ASP 41 HN ASP 41 28.767 10.362 14.875 293 HA ASP 41 HA ASP 41 30.487 11.133 17.112 294 HB2 ASP 41 HB2 ASP 41 31.951 11.314 15.202 295 HB3 ASP 41 HB1 ASP 41 30.738 12.230 14.311 296 H LYS 42 HN LYS 42 29.728 12.745 18.290 297 HA LYS 42 HA LYS 42 27.050 13.639 17.789 298 HB2 LYS 42 HB2 LYS 42 28.939 14.495 19.987 299 HB3 LYS 42 HB1 LYS 42 27.188 14.664 19.974 300 HG2 LYS 42 HG2 LYS 42 26.940 12.245 20.021 301 HG3 LYS 42 HG1 LYS 42 28.694 12.059 20.002 302 HD2 LYS 42 HD2 LYS 42 28.790 13.346 22.129 303 HD3 LYS 42 HD1 LYS 42 27.025 13.339 22.160 304 HE2 LYS 42 HE2 LYS 42 27.059 10.880 22.155 305 HE3 LYS 42 HE1 LYS 42 28.822 10.918 22.185 306 HZ1 LYS 42 HZ1 LYS 42 28.647 12.166 24.309 307 HZ2 LYS 42 HZ2 LYS 42 28.050 10.580 24.387 308 HZ3 LYS 42 HZ3 LYS 42 26.971 11.887 24.295 309 H ALA 43 HN ALA 43 30.220 14.924 17.288 310 HA ALA 43 HA ALA 43 29.494 17.681 17.311 311 HB1 ALA 43 HB1 ALA 43 31.866 16.352 16.002 312 HB2 ALA 43 HB2 ALA 43 31.801 16.938 17.665 313 HB3 ALA 43 HB3 ALA 43 31.682 18.076 16.323 314 H ARG 44 HN ARG 44 29.417 15.143 14.927 315 HA ARG 44 HA ARG 44 29.076 16.882 12.678 316 HB2 ARG 44 HB2 ARG 44 28.356 13.955 12.913 317 HB3 ARG 44 HB1 ARG 44 28.525 14.870 11.423 318 HG2 ARG 44 HG2 ARG 44 30.944 15.235 12.731 319 HG3 ARG 44 HG1 ARG 44 30.533 13.544 13.015 320 HD2 ARG 44 HD2 ARG 44 31.791 13.624 11.003 321 HD3 ARG 44 HD1 ARG 44 30.111 13.334 10.550 322 HE ARG 44 HE ARG 44 30.785 16.125 10.545 323 HH11 ARG 44 HH11 ARG 44 30.953 13.163 8.665 324 HH12 ARG 44 HH12 ARG 44 31.061 13.993 7.144 325 HH21 ARG 44 HH21 ARG 44 30.931 17.213 8.550 326 HH22 ARG 44 HH22 ARG 44 31.035 16.292 7.069 327 H ILE 45 HN ILE 45 27.037 15.730 15.163 328 HA ILE 45 HA ILE 45 24.537 15.827 13.857 329 HB ILE 45 HB ILE 45 25.201 16.350 16.763 330 HG12 ILE 45 HG12 ILE 45 24.226 13.852 15.358 331 HG13 ILE 45 HG11 ILE 45 25.858 14.117 15.963 332 HG21 ILE 45 HG21 ILE 45 22.535 15.760 15.479 333 HG22 ILE 45 HG22 ILE 45 23.031 17.294 16.193 334 HG23 ILE 45 HG23 ILE 45 22.841 15.867 17.213 335 HD11 ILE 45 HD11 ILE 45 24.989 14.234 18.241 336 HD12 ILE 45 HD12 ILE 45 24.582 12.704 17.463 337 HD13 ILE 45 HD13 ILE 45 23.356 13.962 17.630 338 H ALA 46 HN ALA 46 26.512 18.274 15.450 339 HA ALA 46 HA ALA 46 24.696 20.416 15.254 340 HB1 ALA 46 HB1 ALA 46 26.643 21.862 15.552 341 HB2 ALA 46 HB2 ALA 46 27.714 20.495 15.239 342 HB3 ALA 46 HB3 ALA 46 26.687 20.500 16.674 343 H GLU 47 HN GLU 47 27.117 19.115 13.040 344 HA GLU 47 HA GLU 47 26.943 21.083 11.043 345 HB2 GLU 47 HB2 GLU 47 27.590 18.141 10.826 346 HB3 GLU 47 HB1 GLU 47 27.778 19.289 9.510 347 HG2 GLU 47 HG2 GLU 47 29.399 20.544 10.852 348 HG3 GLU 47 HG1 GLU 47 29.225 19.359 12.148 349 H ALA 48 HN ALA 48 24.969 18.274 11.753 350 HA ALA 48 HA ALA 48 23.464 18.229 9.376 351 HB1 ALA 48 HB1 ALA 48 22.603 17.406 12.148 352 HB2 ALA 48 HB2 ALA 48 23.452 16.385 10.987 353 HB3 ALA 48 HB3 ALA 48 21.817 16.949 10.638 354 H GLU 49 HN GLU 49 22.873 19.860 12.493 355 HA GLU 49 HA GLU 49 20.487 21.142 11.720 356 HB2 GLU 49 HB2 GLU 49 22.558 21.979 13.751 357 HB3 GLU 49 HB1 GLU 49 20.986 22.743 13.569 358 HG2 GLU 49 HG2 GLU 49 19.922 20.568 14.066 359 HG3 GLU 49 HG1 GLU 49 21.525 19.893 14.363 360 H LYS 50 HN LYS 50 23.859 22.010 11.294 361 HA LYS 50 HA LYS 50 23.471 24.663 10.410 362 HB2 LYS 50 HB2 LYS 50 25.670 22.712 9.695 363 HB3 LYS 50 HB1 LYS 50 25.723 24.446 9.417 364 HG2 LYS 50 HG2 LYS 50 25.736 24.885 11.773 365 HG3 LYS 50 HG1 LYS 50 25.469 23.178 12.136 366 HD2 LYS 50 HD2 LYS 50 27.631 22.650 11.059 367 HD3 LYS 50 HD1 LYS 50 27.901 24.375 10.808 368 HE2 LYS 50 HE2 LYS 50 27.560 23.014 13.479 369 HE3 LYS 50 HE1 LYS 50 29.092 23.531 12.781 370 HZ1 LYS 50 HZ1 LYS 50 28.575 25.269 14.164 371 HZ2 LYS 50 HZ2 LYS 50 26.908 25.162 13.884 372 HZ3 LYS 50 HZ3 LYS 50 27.925 25.829 12.698 373 H ALA 51 HN ALA 51 23.504 21.565 8.728 374 HA ALA 51 HA ALA 51 23.270 22.720 6.112 375 HB1 ALA 51 HB1 ALA 51 22.993 20.428 5.339 376 HB2 ALA 51 HB2 ALA 51 22.806 19.875 7.004 377 HB3 ALA 51 HB3 ALA 51 24.345 20.546 6.466 378 H GLY 52 HN GLY 52 21.074 21.923 8.623 379 HA2 GLY 52 HA2 GLY 52 18.852 22.807 8.580 380 HA3 GLY 52 HA1 GLY 52 18.847 22.617 6.834 381 H VAL 53 HN VAL 53 20.078 20.066 8.809 382 HA VAL 53 HA VAL 53 17.957 18.308 7.909 383 HB VAL 53 HB VAL 53 20.403 17.732 9.596 384 HG11 VAL 53 HG11 VAL 53 18.479 15.832 8.260 385 HG12 VAL 53 HG12 VAL 53 18.644 16.099 9.995 386 HG13 VAL 53 HG13 VAL 53 19.971 15.378 9.084 387 HG21 VAL 53 HG21 VAL 53 21.318 16.745 7.548 388 HG22 VAL 53 HG22 VAL 53 20.977 18.464 7.347 389 HG23 VAL 53 HG23 VAL 53 19.884 17.261 6.662 390 H LYS 54 HN LYS 54 16.126 18.160 9.028 391 HA LYS 54 HA LYS 54 16.146 18.805 11.884 392 HB2 LYS 54 HB2 LYS 54 13.825 18.460 9.982 393 HB3 LYS 54 HB1 LYS 54 13.684 18.894 11.678 394 HG2 LYS 54 HG2 LYS 54 15.065 20.938 11.143 395 HG3 LYS 54 HG1 LYS 54 14.844 20.526 9.438 396 HD2 LYS 54 HD2 LYS 54 12.385 20.543 9.814 397 HD3 LYS 54 HD1 LYS 54 12.679 21.106 11.459 398 HE2 LYS 54 HE2 LYS 54 12.143 23.001 10.107 399 HE3 LYS 54 HE1 LYS 54 13.860 23.077 10.501 400 HZ1 LYS 54 HZ1 LYS 54 13.206 23.560 8.121 401 HZ2 LYS 54 HZ2 LYS 54 12.883 21.903 7.964 402 HZ3 LYS 54 HZ3 LYS 54 14.452 22.434 8.346 403 H SER 55 HN SER 55 15.845 16.127 9.738 404 HA SER 55 HA SER 55 15.364 14.368 12.013 405 HB2 SER 55 HB2 SER 55 13.664 14.244 9.508 406 HB3 SER 55 HB1 SER 55 13.538 13.188 10.916 407 HG SER 55 HG SER 55 13.385 15.723 11.732 408 H VAL 56 HN VAL 56 15.749 12.084 11.471 409 HA VAL 56 HA VAL 56 17.498 11.779 9.119 410 HB VAL 56 HB VAL 56 18.699 9.995 10.348 411 HG11 VAL 56 HG11 VAL 56 19.968 11.471 11.835 412 HG12 VAL 56 HG12 VAL 56 18.685 12.676 11.728 413 HG13 VAL 56 HG13 VAL 56 19.613 12.245 10.291 414 HG21 VAL 56 HG21 VAL 56 18.436 9.786 12.773 415 HG22 VAL 56 HG22 VAL 56 16.946 9.366 11.927 416 HG23 VAL 56 HG23 VAL 56 17.095 10.931 12.728 417 HA PRO 57 HA PRO 57 18.458 10.276 8.133 418 HB2 PRO 57 HB2 PRO 57 18.355 8.972 5.799 419 HB3 PRO 57 HB1 PRO 57 18.643 8.123 7.320 420 HG2 PRO 57 HG2 PRO 57 16.164 8.291 5.682 421 HG3 PRO 57 HG1 PRO 57 16.791 6.939 6.637 422 HD2 PRO 57 HD2 PRO 57 14.785 8.726 7.428 423 HD3 PRO 57 HD1 PRO 57 15.676 7.621 8.490 424 H ALA 58 HN ALA 58 19.178 11.656 6.453 425 HA ALA 58 HA ALA 58 17.103 12.867 4.764 426 HB1 ALA 58 HB1 ALA 58 17.861 15.112 5.313 427 HB2 ALA 58 HB2 ALA 58 19.032 14.454 6.456 428 HB3 ALA 58 HB3 ALA 58 17.304 14.274 6.761 429 H LEU 59 HN LEU 59 17.757 13.208 2.739 430 HA LEU 59 HA LEU 59 20.606 12.800 2.130 431 HB2 LEU 59 HB2 LEU 59 18.544 11.460 1.121 432 HB3 LEU 59 HB1 LEU 59 18.475 12.833 0.037 433 HG LEU 59 HG LEU 59 20.908 11.082 0.405 434 HD11 LEU 59 HD11 LEU 59 20.323 10.136 -1.771 435 HD12 LEU 59 HD12 LEU 59 18.832 11.076 -1.780 436 HD13 LEU 59 HD13 LEU 59 19.071 9.816 -0.569 437 HD21 LEU 59 HD21 LEU 59 20.249 13.209 -1.627 438 HD22 LEU 59 HD22 LEU 59 21.665 12.160 -1.665 439 HD23 LEU 59 HD23 LEU 59 21.462 13.318 -0.351 440 H VAL 60 HN VAL 60 21.653 14.686 2.023 441 HA VAL 60 HA VAL 60 20.242 17.105 1.222 442 HB VAL 60 HB VAL 60 23.086 16.769 2.195 443 HG11 VAL 60 HG11 VAL 60 23.000 19.183 2.613 444 HG12 VAL 60 HG12 VAL 60 21.392 19.246 1.890 445 HG13 VAL 60 HG13 VAL 60 22.786 18.810 0.902 446 HG21 VAL 60 HG21 VAL 60 21.481 16.084 3.892 447 HG22 VAL 60 HG22 VAL 60 20.605 17.602 3.693 448 HG23 VAL 60 HG23 VAL 60 22.246 17.609 4.339 449 H ILE 61 HN ILE 61 20.074 17.412 -0.899 450 HA ILE 61 HA ILE 61 22.379 16.812 -2.628 451 HB ILE 61 HB ILE 61 19.511 17.391 -3.400 452 HG12 ILE 61 HG12 ILE 61 21.055 14.786 -3.418 453 HG13 ILE 61 HG11 ILE 61 19.801 15.218 -2.262 454 HG21 ILE 61 HG21 ILE 61 21.855 16.523 -5.090 455 HG22 ILE 61 HG22 ILE 61 21.082 18.108 -5.115 456 HG23 ILE 61 HG23 ILE 61 20.189 16.683 -5.648 457 HD11 ILE 61 HD11 ILE 61 19.427 14.850 -5.226 458 HD12 ILE 61 HD12 ILE 61 18.166 15.297 -4.077 459 HD13 ILE 61 HD13 ILE 61 18.944 13.719 -3.961 460 H ASP 62 HN ASP 62 23.693 18.516 -2.742 461 HA ASP 62 HA ASP 62 24.492 20.616 -3.088 462 HB2 ASP 62 HB2 ASP 62 21.927 20.827 -4.668 463 HB3 ASP 62 HB1 ASP 62 23.152 22.089 -4.648 464 H GLY 63 HN GLY 63 22.830 20.148 -0.710 465 HA2 GLY 63 HA2 GLY 63 22.730 21.803 1.042 466 HA3 GLY 63 HA1 GLY 63 22.226 22.979 -0.161 467 H ALA 64 HN ALA 64 20.409 20.737 -1.257 468 HA ALA 64 HA ALA 64 18.143 21.453 0.419 469 HB1 ALA 64 HB1 ALA 64 17.913 21.591 -2.013 470 HB2 ALA 64 HB2 ALA 64 16.779 20.426 -1.327 471 HB3 ALA 64 HB3 ALA 64 18.237 19.861 -2.143 472 H ALA 65 HN ALA 65 17.729 20.256 2.147 473 HA ALA 65 HA ALA 65 18.686 17.525 2.310 474 HB1 ALA 65 HB1 ALA 65 17.242 19.193 4.371 475 HB2 ALA 65 HB2 ALA 65 18.993 19.039 4.215 476 HB3 ALA 65 HB3 ALA 65 18.018 17.635 4.650 477 H PHE 66 HN PHE 66 17.465 16.063 1.298 478 HA PHE 66 HA PHE 66 14.554 16.190 1.584 479 HB2 PHE 66 HB2 PHE 66 16.300 14.425 -0.146 480 HB3 PHE 66 HB1 PHE 66 14.544 14.339 -0.087 481 HD1 PHE 66 HD2 PHE 66 13.276 16.534 -0.638 482 HD2 PHE 66 HD1 PHE 66 17.331 15.789 -1.699 483 HE1 PHE 66 HE2 PHE 66 13.130 18.256 -2.388 484 HE2 PHE 66 HE1 PHE 66 17.191 17.512 -3.454 485 HZ PHE 66 HZ PHE 66 15.088 18.746 -3.797 486 H HIS 67 HN HIS 67 13.991 15.414 3.514 487 HA HIS 67 HA HIS 67 15.333 13.289 4.849 488 HB2 HIS 67 HB2 HIS 67 12.559 14.416 5.322 489 HB3 HIS 67 HB1 HIS 67 13.447 13.381 6.433 490 HD1 HIS 67 HD1 HIS 67 13.341 16.917 5.140 491 HD2 HIS 67 HD2 HIS 67 15.400 14.638 7.940 492 HE1 HIS 67 HE1 HIS 67 14.603 18.554 6.598 493 H ILE 68 HN ILE 68 15.024 11.137 4.699 494 HA ILE 68 HA ILE 68 12.914 10.241 2.846 495 HB ILE 68 HB ILE 68 15.471 8.789 3.553 496 HG12 ILE 68 HG12 ILE 68 14.780 10.356 1.053 497 HG13 ILE 68 HG11 ILE 68 15.902 10.885 2.302 498 HG21 ILE 68 HG21 ILE 68 13.407 8.275 1.413 499 HG22 ILE 68 HG22 ILE 68 13.646 7.322 2.877 500 HG23 ILE 68 HG23 ILE 68 14.902 7.368 1.641 501 HD11 ILE 68 HD11 ILE 68 17.081 9.994 0.382 502 HD12 ILE 68 HD12 ILE 68 16.224 8.461 0.549 503 HD13 ILE 68 HD13 ILE 68 17.350 8.985 1.802 504 H ASN 69 HN ASN 69 11.242 9.814 4.163 505 HA ASN 69 HA ASN 69 9.924 8.734 5.647 506 HB2 ASN 69 HB2 ASN 69 12.247 6.842 5.617 507 HB3 ASN 69 HB1 ASN 69 10.974 6.639 6.815 508 HD21 ASN 69 HD21 ASN 69 11.745 4.915 4.598 509 HD22 ASN 69 HD22 ASN 69 10.321 4.715 3.638 510 H PHE 70 HN PHE 70 9.413 9.750 7.412 511 HA PHE 70 HA PHE 70 11.319 10.954 9.127 512 HB2 PHE 70 HB2 PHE 70 9.045 11.870 8.747 513 HB3 PHE 70 HB1 PHE 70 8.364 10.489 9.596 514 HD1 PHE 70 HD1 PHE 70 10.412 13.527 9.977 515 HD2 PHE 70 HD2 PHE 70 8.306 10.408 11.965 516 HE1 PHE 70 HE1 PHE 70 10.615 14.747 12.104 517 HE2 PHE 70 HE2 PHE 70 8.508 11.623 14.094 518 HZ PHE 70 HZ PHE 70 9.663 13.797 14.164 519 H GLY 71 HN GLY 71 12.670 9.430 10.001 520 HA2 GLY 71 HA2 GLY 71 11.516 7.266 11.582 521 HA3 GLY 71 HA1 GLY 71 13.226 7.517 11.247 522 H ALA 72 HN ALA 72 14.057 9.679 12.207 523 HA ALA 72 HA ALA 72 12.831 10.207 14.818 524 HB1 ALA 72 HB1 ALA 72 14.538 8.497 15.207 525 HB2 ALA 72 HB2 ALA 72 14.983 10.030 15.956 526 HB3 ALA 72 HB3 ALA 72 15.749 9.531 14.448 527 H GLY 73 HN GLY 73 12.932 12.315 15.424 528 HA2 GLY 73 HA2 GLY 73 14.068 14.224 13.581 529 HA3 GLY 73 HA1 GLY 73 13.205 14.591 15.070 530 H ILE 74 HN ILE 74 15.715 15.722 14.035 531 HA ILE 74 HA ILE 74 17.893 14.615 15.497 532 HB ILE 74 HB ILE 74 18.166 16.022 13.458 533 HG12 ILE 74 HG12 ILE 74 19.607 17.108 15.884 534 HG13 ILE 74 HG11 ILE 74 20.018 15.604 15.067 535 HG21 ILE 74 HG21 ILE 74 18.102 18.466 13.677 536 HG22 ILE 74 HG22 ILE 74 17.460 18.294 15.311 537 HG23 ILE 74 HG23 ILE 74 16.516 17.737 13.929 538 HD11 ILE 74 HD11 ILE 74 21.499 17.404 14.403 539 HD12 ILE 74 HD12 ILE 74 20.117 18.353 13.853 540 HD13 ILE 74 HD13 ILE 74 20.534 16.847 13.036 541 H ASP 75 HN ASP 75 15.423 16.939 16.198 542 HA ASP 75 HA ASP 75 16.559 18.074 18.534 543 HB2 ASP 75 HB2 ASP 75 14.704 19.129 17.330 544 HB3 ASP 75 HB1 ASP 75 13.665 17.759 17.699 545 H ASP 76 HN ASP 76 14.695 15.212 17.857 546 HA ASP 76 HA ASP 76 14.110 14.516 20.561 547 HB2 ASP 76 HB2 ASP 76 14.129 12.832 18.045 548 HB3 ASP 76 HB1 ASP 76 13.482 12.313 19.596 549 H LEU 77 HN LEU 77 16.876 14.268 18.591 550 HA LEU 77 HA LEU 77 18.003 11.948 19.869 551 HB2 LEU 77 HB2 LEU 77 19.286 14.010 18.073 552 HB3 LEU 77 HB1 LEU 77 20.029 12.506 18.580 553 HG LEU 77 HG LEU 77 17.562 12.751 16.854 554 HD11 LEU 77 HD11 LEU 77 19.002 11.881 15.078 555 HD12 LEU 77 HD12 LEU 77 20.385 11.932 16.172 556 HD13 LEU 77 HD13 LEU 77 19.587 13.429 15.687 557 HD21 LEU 77 HD21 LEU 77 17.791 10.331 16.560 558 HD22 LEU 77 HD22 LEU 77 17.498 10.754 18.247 559 HD23 LEU 77 HD23 LEU 77 19.123 10.317 17.716 560 H LYS 78 HN LYS 78 17.924 15.335 20.470 561 HA LYS 78 HA LYS 78 20.339 15.360 22.055 562 HB2 LYS 78 HB2 LYS 78 18.198 17.458 21.673 563 HB3 LYS 78 HB1 LYS 78 19.697 17.702 22.560 564 HG2 LYS 78 HG2 LYS 78 20.933 17.141 20.461 565 HG3 LYS 78 HG1 LYS 78 19.382 17.147 19.621 566 HD2 LYS 78 HD2 LYS 78 19.032 19.475 20.287 567 HD3 LYS 78 HD1 LYS 78 20.580 19.466 21.135 568 HE2 LYS 78 HE2 LYS 78 21.692 18.937 18.978 569 HE3 LYS 78 HE1 LYS 78 20.134 19.112 18.175 570 HZ1 LYS 78 HZ1 LYS 78 21.635 21.220 19.630 571 HZ2 LYS 78 HZ2 LYS 78 20.057 21.415 19.030 572 HZ3 LYS 78 HZ3 LYS 78 21.345 21.139 17.958 573 H GLY 79 HN GLY 79 20.247 16.215 24.331 574 HA2 GLY 79 HA2 GLY 79 18.149 14.687 25.738 575 HA3 GLY 79 HA1 GLY 79 19.778 14.945 26.343 576 H SER 80 HN SER 80 20.226 17.538 26.218 577 HA SER 80 HA SER 80 18.002 19.043 27.259 578 HB2 SER 80 HB2 SER 80 19.424 19.532 29.401 579 HB3 SER 80 HB1 SER 80 18.437 18.073 29.330 580 HG SER 80 HG SER 80 21.228 18.261 28.789 581 H1 VAL 1 HT1 VAL 1 17.442 -4.454 -14.948 582 H2 VAL 1 HT2 VAL 1 19.106 -4.649 -14.704 583 H3 VAL 1 HT3 VAL 1 18.501 -3.164 -15.260 584 HA VAL 1 HA VAL 1 17.989 -4.385 -12.610 585 HB VAL 1 HB VAL 1 20.296 -3.446 -13.027 586 HG11 VAL 1 HG11 VAL 1 18.810 -0.832 -13.201 587 HG12 VAL 1 HG12 VAL 1 19.724 -1.609 -14.493 588 HG13 VAL 1 HG13 VAL 1 20.559 -1.008 -13.060 589 HG21 VAL 1 HG21 VAL 1 20.391 -2.194 -10.924 590 HG22 VAL 1 HG22 VAL 1 19.415 -3.655 -10.778 591 HG23 VAL 1 HG23 VAL 1 18.631 -2.081 -10.918 592 H ALA 2 HN ALA 2 16.370 -3.010 -14.966 593 HA ALA 2 HA ALA 2 15.406 -0.599 -13.759 594 HB1 ALA 2 HB1 ALA 2 13.898 -0.472 -15.656 595 HB2 ALA 2 HB2 ALA 2 14.309 -2.123 -16.116 596 HB3 ALA 2 HB3 ALA 2 15.533 -0.857 -16.195 597 H SER 3 HN SER 3 14.611 -1.253 -11.749 598 HA SER 3 HA SER 3 12.191 -2.874 -11.716 599 HB2 SER 3 HB2 SER 3 13.617 -1.399 -9.480 600 HB3 SER 3 HB1 SER 3 12.249 -2.494 -9.275 601 HG SER 3 HG SER 3 14.078 -3.776 -10.698 602 H LYS 4 HN LYS 4 10.282 -1.841 -10.428 603 HA LYS 4 HA LYS 4 9.796 0.705 -11.790 604 HB2 LYS 4 HB2 LYS 4 8.196 -1.113 -12.204 605 HB3 LYS 4 HB1 LYS 4 7.824 -1.178 -10.486 606 HG2 LYS 4 HG2 LYS 4 6.907 1.043 -10.547 607 HG3 LYS 4 HG1 LYS 4 7.395 1.236 -12.232 608 HD2 LYS 4 HD2 LYS 4 5.899 -0.665 -12.816 609 HD3 LYS 4 HD1 LYS 4 5.345 -0.687 -11.141 610 HE2 LYS 4 HE2 LYS 4 4.569 1.623 -11.372 611 HE3 LYS 4 HE1 LYS 4 5.119 1.640 -13.047 612 HZ1 LYS 4 HZ1 LYS 4 2.766 1.227 -12.960 613 HZ2 LYS 4 HZ2 LYS 4 2.985 -0.086 -11.909 614 HZ3 LYS 4 HZ3 LYS 4 3.548 -0.175 -13.503 615 H ALA 5 HN ALA 5 9.572 2.557 -10.781 616 HA ALA 5 HA ALA 5 9.063 2.555 -7.878 617 HB1 ALA 5 HB1 ALA 5 11.380 3.207 -8.320 618 HB2 ALA 5 HB2 ALA 5 10.448 4.566 -7.692 619 HB3 ALA 5 HB3 ALA 5 10.822 4.473 -9.414 620 H ILE 6 HN ILE 6 7.470 3.918 -7.190 621 HA ILE 6 HA ILE 6 6.139 5.521 -9.278 622 HB ILE 6 HB ILE 6 4.791 4.105 -6.969 623 HG12 ILE 6 HG12 ILE 6 4.738 3.459 -9.928 624 HG13 ILE 6 HG11 ILE 6 5.626 2.548 -8.712 625 HG21 ILE 6 HG21 ILE 6 3.661 6.164 -7.614 626 HG22 ILE 6 HG22 ILE 6 2.708 4.759 -8.090 627 HG23 ILE 6 HG23 ILE 6 3.641 5.641 -9.299 628 HD11 ILE 6 HD11 ILE 6 3.525 1.961 -7.619 629 HD12 ILE 6 HD12 ILE 6 3.551 1.442 -9.305 630 HD13 ILE 6 HD13 ILE 6 2.637 2.877 -8.838 631 H PHE 7 HN PHE 7 6.030 7.612 -8.875 632 HA PHE 7 HA PHE 7 6.528 8.556 -6.141 633 HB2 PHE 7 HB2 PHE 7 7.990 9.433 -7.944 634 HB3 PHE 7 HB1 PHE 7 6.573 10.093 -8.752 635 HD1 PHE 7 HD1 PHE 7 8.670 10.340 -5.725 636 HD2 PHE 7 HD2 PHE 7 5.647 12.165 -8.099 637 HE1 PHE 7 HE1 PHE 7 8.903 12.414 -4.423 638 HE2 PHE 7 HE2 PHE 7 5.875 14.242 -6.802 639 HZ PHE 7 HZ PHE 7 7.506 14.367 -4.961 640 H TYR 8 HN TYR 8 4.806 9.058 -4.975 641 HA TYR 8 HA TYR 8 2.320 9.818 -6.330 642 HB2 TYR 8 HB2 TYR 8 2.882 9.010 -3.469 643 HB3 TYR 8 HB1 TYR 8 1.309 9.553 -4.040 644 HD1 TYR 8 HD2 TYR 8 0.022 8.155 -5.627 645 HD2 TYR 8 HD1 TYR 8 3.668 6.795 -3.908 646 HE1 TYR 8 HE2 TYR 8 -0.551 5.847 -6.254 647 HE2 TYR 8 HE1 TYR 8 3.104 4.485 -4.527 648 HH TYR 8 HH TYR 8 0.579 3.713 -6.665 649 H HIS 9 HN HIS 9 1.621 11.870 -6.332 650 HA HIS 9 HA HIS 9 2.626 13.670 -4.253 651 HB2 HIS 9 HB2 HIS 9 3.153 15.426 -5.806 652 HB3 HIS 9 HB1 HIS 9 4.023 13.978 -6.291 653 HD2 HIS 9 HD2 HIS 9 2.856 12.658 -8.581 654 HE1 HIS 9 HE1 HIS 9 1.063 16.255 -9.900 655 HE2 HIS 9 HE2 HIS 9 1.937 13.984 -10.614 656 H ALA 10 HN ALA 10 1.409 15.878 -4.475 657 HA ALA 10 HA ALA 10 -1.399 15.401 -5.165 658 HB1 ALA 10 HB1 ALA 10 -1.150 14.773 -2.811 659 HB2 ALA 10 HB2 ALA 10 -2.158 16.209 -2.993 660 HB3 ALA 10 HB3 ALA 10 -0.485 16.368 -2.456 661 H GLY 11 HN GLY 11 0.954 17.140 -6.054 662 HA2 GLY 11 HA2 GLY 11 1.129 19.251 -6.972 663 HA3 GLY 11 HA1 GLY 11 -0.544 19.532 -6.510 664 H CYS 12 HN CYS 12 2.637 19.147 -4.973 665 HA CYS 12 HA CYS 12 2.067 21.511 -3.329 666 HB2 CYS 12 HB2 CYS 12 3.282 18.944 -2.274 667 HB3 CYS 12 HB1 CYS 12 2.917 20.393 -1.343 668 HG CYS 12 HG CYS 12 0.077 19.824 -2.485 669 HA PRO 13 HA PRO 13 6.197 22.863 -4.255 670 HB2 PRO 13 HB2 PRO 13 7.224 23.362 -1.720 671 HB3 PRO 13 HB1 PRO 13 6.256 24.492 -2.670 672 HG2 PRO 13 HG2 PRO 13 5.419 22.668 -0.462 673 HG3 PRO 13 HG1 PRO 13 4.882 24.319 -0.820 674 HD2 PRO 13 HD2 PRO 13 3.360 22.199 -1.416 675 HD3 PRO 13 HD1 PRO 13 3.424 23.617 -2.483 676 H VAL 14 HN VAL 14 5.894 20.517 -1.637 677 HA VAL 14 HA VAL 14 8.521 19.524 -1.656 678 HB VAL 14 HB VAL 14 5.978 18.013 -1.016 679 HG11 VAL 14 HG11 VAL 14 7.422 16.595 0.374 680 HG12 VAL 14 HG12 VAL 14 8.835 17.475 -0.208 681 HG13 VAL 14 HG13 VAL 14 7.867 16.518 -1.330 682 HG21 VAL 14 HG21 VAL 14 7.788 19.616 0.788 683 HG22 VAL 14 HG22 VAL 14 6.425 18.630 1.316 684 HG23 VAL 14 HG23 VAL 14 6.149 20.048 0.305 685 H CYS 15 HN CYS 15 5.701 18.762 -3.614 686 HA CYS 15 HA CYS 15 6.649 16.392 -4.806 687 HB2 CYS 15 HB2 CYS 15 4.773 18.399 -6.066 688 HB3 CYS 15 HB1 CYS 15 4.867 16.672 -6.393 689 HG CYS 15 HG CYS 15 4.267 16.491 -3.370 690 H VAL 16 HN VAL 16 6.684 19.761 -5.928 691 HA VAL 16 HA VAL 16 7.932 19.323 -8.393 692 HB VAL 16 HB VAL 16 8.169 21.793 -6.666 693 HG11 VAL 16 HG11 VAL 16 9.725 21.772 -8.538 694 HG12 VAL 16 HG12 VAL 16 8.461 22.976 -8.787 695 HG13 VAL 16 HG13 VAL 16 8.399 21.440 -9.652 696 HG21 VAL 16 HG21 VAL 16 6.046 21.055 -8.678 697 HG22 VAL 16 HG22 VAL 16 6.198 22.616 -7.873 698 HG23 VAL 16 HG23 VAL 16 5.835 21.170 -6.931 699 H SER 17 HN SER 17 9.304 20.126 -5.228 700 HA SER 17 HA SER 17 11.979 20.360 -6.035 701 HB2 SER 17 HB2 SER 17 10.961 19.454 -3.332 702 HB3 SER 17 HB1 SER 17 12.520 20.200 -3.680 703 HG SER 17 HG SER 17 9.951 21.361 -3.676 704 H ALA 18 HN ALA 18 10.194 17.583 -4.711 705 HA ALA 18 HA ALA 18 12.414 15.825 -4.701 706 HB1 ALA 18 HB1 ALA 18 10.775 14.067 -4.306 707 HB2 ALA 18 HB2 ALA 18 9.471 15.174 -4.735 708 HB3 ALA 18 HB3 ALA 18 10.446 15.475 -3.298 709 H GLU 19 HN GLU 19 9.956 16.584 -7.092 710 HA GLU 19 HA GLU 19 10.473 14.398 -8.817 711 HB2 GLU 19 HB2 GLU 19 8.399 15.733 -8.900 712 HB3 GLU 19 HB1 GLU 19 9.319 17.119 -9.468 713 HG2 GLU 19 HG2 GLU 19 9.953 15.831 -11.474 714 HG3 GLU 19 HG1 GLU 19 8.934 14.507 -10.912 715 H GLN 20 HN GLN 20 11.549 17.796 -8.920 716 HA GLN 20 HA GLN 20 13.063 17.328 -11.316 717 HB2 GLN 20 HB2 GLN 20 13.008 19.751 -9.515 718 HB3 GLN 20 HB1 GLN 20 13.686 19.685 -11.138 719 HG2 GLN 20 HG2 GLN 20 11.466 19.171 -12.036 720 HG3 GLN 20 HG1 GLN 20 10.795 19.269 -10.410 721 HE21 GLN 20 HE21 GLN 20 10.116 20.809 -12.757 722 HE22 GLN 20 HE22 GLN 20 10.377 22.469 -12.337 723 H ALA 21 HN ALA 21 13.729 16.917 -8.013 724 HA ALA 21 HA ALA 21 16.623 17.057 -8.524 725 HB1 ALA 21 HB1 ALA 21 15.837 18.409 -6.645 726 HB2 ALA 21 HB2 ALA 21 16.927 17.128 -6.115 727 HB3 ALA 21 HB3 ALA 21 15.187 16.961 -5.877 728 H VAL 22 HN VAL 22 14.365 15.032 -6.626 729 HA VAL 22 HA VAL 22 16.300 12.942 -6.391 730 HB VAL 22 HB VAL 22 13.349 12.845 -5.742 731 HG11 VAL 22 HG11 VAL 22 14.356 10.635 -5.912 732 HG12 VAL 22 HG12 VAL 22 13.970 11.016 -4.234 733 HG13 VAL 22 HG13 VAL 22 15.638 11.119 -4.801 734 HG21 VAL 22 HG21 VAL 22 15.693 13.554 -3.979 735 HG22 VAL 22 HG22 VAL 22 14.026 13.349 -3.439 736 HG23 VAL 22 HG23 VAL 22 14.440 14.660 -4.543 737 H ALA 23 HN ALA 23 13.267 13.300 -8.231 738 HA ALA 23 HA ALA 23 13.367 10.683 -9.331 739 HB1 ALA 23 HB1 ALA 23 11.280 11.949 -9.179 740 HB2 ALA 23 HB2 ALA 23 11.601 11.426 -10.833 741 HB3 ALA 23 HB3 ALA 23 11.892 13.101 -10.366 742 H ASN 24 HN ASN 24 14.648 13.783 -10.352 743 HA ASN 24 HA ASN 24 15.481 12.857 -12.932 744 HB2 ASN 24 HB2 ASN 24 15.858 15.344 -11.342 745 HB3 ASN 24 HB1 ASN 24 17.026 15.011 -12.618 746 HD21 ASN 24 HD21 ASN 24 16.384 15.049 -14.746 747 HD22 ASN 24 HD22 ASN 24 14.863 15.715 -15.244 748 H ALA 25 HN ALA 25 16.813 12.805 -9.735 749 HA ALA 25 HA ALA 25 19.519 12.354 -10.415 750 HB1 ALA 25 HB1 ALA 25 18.009 11.427 -7.972 751 HB2 ALA 25 HB2 ALA 25 18.827 12.979 -8.153 752 HB3 ALA 25 HB3 ALA 25 19.763 11.485 -8.148 753 H ILE 26 HN ILE 26 16.786 10.176 -9.864 754 HA ILE 26 HA ILE 26 18.333 7.817 -10.450 755 HB ILE 26 HB ILE 26 15.330 8.155 -10.288 756 HG12 ILE 26 HG12 ILE 26 17.299 7.164 -8.209 757 HG13 ILE 26 HG11 ILE 26 16.500 8.732 -8.185 758 HG21 ILE 26 HG21 ILE 26 17.038 5.667 -10.245 759 HG22 ILE 26 HG22 ILE 26 15.969 6.177 -11.551 760 HG23 ILE 26 HG23 ILE 26 15.294 5.717 -9.988 761 HD11 ILE 26 HD11 ILE 26 15.135 6.058 -8.000 762 HD12 ILE 26 HD12 ILE 26 14.337 7.631 -7.965 763 HD13 ILE 26 HD13 ILE 26 15.435 7.170 -6.664 764 H ASP 27 HN ASP 27 18.966 7.341 -12.441 765 HA ASP 27 HA ASP 27 18.060 8.672 -14.746 766 HB2 ASP 27 HB2 ASP 27 19.541 6.037 -14.578 767 HB3 ASP 27 HB1 ASP 27 19.407 7.057 -16.007 768 HA PRO 28 HA PRO 28 14.321 6.378 -15.593 769 HB2 PRO 28 HB2 PRO 28 14.633 7.526 -18.296 770 HB3 PRO 28 HB1 PRO 28 13.298 7.693 -17.153 771 HG2 PRO 28 HG2 PRO 28 14.966 9.727 -17.657 772 HG3 PRO 28 HG1 PRO 28 14.297 9.454 -16.037 773 HD2 PRO 28 HD2 PRO 28 17.020 8.801 -17.101 774 HD3 PRO 28 HD1 PRO 28 16.556 9.456 -15.516 775 H SER 29 HN SER 29 17.298 6.234 -17.332 776 HA SER 29 HA SER 29 16.522 3.859 -18.827 777 HB2 SER 29 HB2 SER 29 17.985 5.707 -19.789 778 HB3 SER 29 HB1 SER 29 19.252 5.159 -18.693 779 HG SER 29 HG SER 29 18.240 3.979 -21.001 780 H LYS 30 HN LYS 30 17.346 4.481 -15.753 781 HA LYS 30 HA LYS 30 18.968 2.048 -15.422 782 HB2 LYS 30 HB2 LYS 30 19.779 4.313 -14.533 783 HB3 LYS 30 HB1 LYS 30 18.492 4.183 -13.346 784 HG2 LYS 30 HG2 LYS 30 19.480 2.082 -12.536 785 HG3 LYS 30 HG1 LYS 30 20.798 2.282 -13.694 786 HD2 LYS 30 HD2 LYS 30 21.234 4.528 -12.616 787 HD3 LYS 30 HD1 LYS 30 20.111 4.038 -11.347 788 HE2 LYS 30 HE2 LYS 30 22.346 3.568 -10.615 789 HE3 LYS 30 HE1 LYS 30 21.529 2.040 -10.941 790 HZ1 LYS 30 HZ1 LYS 30 23.406 3.406 -12.797 791 HZ2 LYS 30 HZ2 LYS 30 22.659 1.912 -13.060 792 HZ3 LYS 30 HZ3 LYS 30 23.796 2.080 -11.814 793 H TYR 31 HN TYR 31 16.262 3.863 -14.015 794 HA TYR 31 HA TYR 31 14.974 1.302 -13.363 795 HB2 TYR 31 HB2 TYR 31 15.137 3.759 -11.604 796 HB3 TYR 31 HB1 TYR 31 13.985 2.456 -11.339 797 HD1 TYR 31 HD1 TYR 31 17.509 3.442 -11.154 798 HD2 TYR 31 HD2 TYR 31 14.716 0.302 -10.492 799 HE1 TYR 31 HE1 TYR 31 19.186 2.237 -9.821 800 HE2 TYR 31 HE2 TYR 31 16.388 -0.911 -9.158 801 HH TYR 31 HH TYR 31 19.259 0.528 -8.061 802 H THR 32 HN THR 32 12.627 1.439 -13.281 803 HA THR 32 HA THR 32 11.636 3.429 -15.184 804 HB THR 32 HB THR 32 10.244 0.946 -14.154 805 HG1 THR 32 HG1 THR 32 12.021 1.403 -16.306 806 HG21 THR 32 HG21 THR 32 9.671 2.722 -16.534 807 HG22 THR 32 HG22 THR 32 8.722 2.647 -15.049 808 HG23 THR 32 HG23 THR 32 8.800 1.245 -16.118 809 H VAL 33 HN VAL 33 11.151 5.245 -14.077 810 HA VAL 33 HA VAL 33 9.598 5.001 -11.596 811 HB VAL 33 HB VAL 33 11.091 7.409 -12.655 812 HG11 VAL 33 HG11 VAL 33 9.215 8.018 -11.227 813 HG12 VAL 33 HG12 VAL 33 10.747 8.337 -10.414 814 HG13 VAL 33 HG13 VAL 33 9.794 6.919 -9.975 815 HG21 VAL 33 HG21 VAL 33 12.636 5.633 -12.055 816 HG22 VAL 33 HG22 VAL 33 11.853 5.457 -10.484 817 HG23 VAL 33 HG23 VAL 33 12.719 6.943 -10.877 818 H GLU 34 HN GLU 34 7.517 5.488 -11.618 819 HA GLU 34 HA GLU 34 6.513 7.269 -13.740 820 HB2 GLU 34 HB2 GLU 34 5.083 4.977 -12.381 821 HB3 GLU 34 HB1 GLU 34 4.323 6.111 -13.489 822 HG2 GLU 34 HG2 GLU 34 6.103 5.371 -15.170 823 HG3 GLU 34 HG1 GLU 34 6.390 4.023 -14.069 824 H ILE 35 HN ILE 35 5.020 8.840 -13.165 825 HA ILE 35 HA ILE 35 4.933 9.402 -10.269 826 HB ILE 35 HB ILE 35 4.964 11.403 -12.538 827 HG12 ILE 35 HG12 ILE 35 7.137 10.695 -10.551 828 HG13 ILE 35 HG11 ILE 35 7.118 10.203 -12.242 829 HG21 ILE 35 HG21 ILE 35 5.276 13.066 -10.761 830 HG22 ILE 35 HG22 ILE 35 5.106 11.795 -9.551 831 HG23 ILE 35 HG23 ILE 35 3.745 12.208 -10.594 832 HD11 ILE 35 HD11 ILE 35 7.250 13.033 -11.229 833 HD12 ILE 35 HD12 ILE 35 7.242 12.539 -12.922 834 HD13 ILE 35 HD13 ILE 35 8.593 12.095 -11.881 835 H VAL 36 HN VAL 36 2.980 9.630 -9.356 836 HA VAL 36 HA VAL 36 0.639 9.953 -11.121 837 HB VAL 36 HB VAL 36 0.843 8.002 -8.815 838 HG11 VAL 36 HG11 VAL 36 -1.383 8.976 -8.983 839 HG12 VAL 36 HG12 VAL 36 -1.402 7.283 -9.478 840 HG13 VAL 36 HG13 VAL 36 -1.449 8.559 -10.695 841 HG21 VAL 36 HG21 VAL 36 0.629 7.504 -11.783 842 HG22 VAL 36 HG22 VAL 36 0.569 6.266 -10.529 843 HG23 VAL 36 HG23 VAL 36 2.043 7.203 -10.774 844 H HIS 37 HN HIS 37 -0.728 11.492 -10.481 845 HA HIS 37 HA HIS 37 -0.408 12.810 -7.932 846 HB2 HIS 37 HB2 HIS 37 -1.012 14.005 -10.069 847 HB3 HIS 37 HB1 HIS 37 -2.580 13.212 -10.006 848 HD2 HIS 37 HD2 HIS 37 -0.796 16.291 -8.651 849 HE1 HIS 37 HE1 HIS 37 -4.519 15.996 -6.666 850 HE2 HIS 37 HE2 HIS 37 -2.611 17.539 -7.282 851 H LEU 38 HN LEU 38 -1.428 12.242 -6.112 852 HA LEU 38 HA LEU 38 -3.760 10.448 -6.343 853 HB2 LEU 38 HB2 LEU 38 -1.629 9.388 -5.533 854 HB3 LEU 38 HB1 LEU 38 -1.703 10.443 -4.134 855 HG LEU 38 HG LEU 38 -3.876 9.413 -3.514 856 HD11 LEU 38 HD11 LEU 38 -4.583 8.687 -5.723 857 HD12 LEU 38 HD12 LEU 38 -4.543 7.326 -4.601 858 HD13 LEU 38 HD13 LEU 38 -3.251 7.533 -5.785 859 HD21 LEU 38 HD21 LEU 38 -1.574 7.492 -3.846 860 HD22 LEU 38 HD22 LEU 38 -2.934 7.290 -2.741 861 HD23 LEU 38 HD23 LEU 38 -1.801 8.623 -2.513 862 H GLY 39 HN GLY 39 -3.133 13.492 -5.760 863 HA2 GLY 39 HA2 GLY 39 -4.403 13.755 -3.143 864 HA3 GLY 39 HA1 GLY 39 -3.682 15.053 -4.081 865 H THR 40 HN THR 40 -5.977 12.790 -5.431 866 HA THR 40 HA THR 40 -8.209 14.593 -5.126 867 HB THR 40 HB THR 40 -7.092 14.073 -7.893 868 HG1 THR 40 HG1 THR 40 -6.627 16.021 -6.099 869 HG21 THR 40 HG21 THR 40 -9.542 14.083 -7.883 870 HG22 THR 40 HG22 THR 40 -8.909 15.524 -8.679 871 HG23 THR 40 HG23 THR 40 -9.538 15.629 -7.035 872 H ASP 41 HN ASP 41 -6.919 11.751 -6.831 873 HA ASP 41 HA ASP 41 -9.565 10.588 -7.025 874 HB2 ASP 41 HB2 ASP 41 -7.903 10.319 -8.861 875 HB3 ASP 41 HB1 ASP 41 -6.898 9.367 -7.769 876 H LYS 42 HN LYS 42 -10.437 9.612 -5.346 877 HA LYS 42 HA LYS 42 -8.747 8.603 -3.207 878 HB2 LYS 42 HB2 LYS 42 -11.744 8.904 -3.409 879 HB3 LYS 42 HB1 LYS 42 -10.896 8.314 -1.984 880 HG2 LYS 42 HG2 LYS 42 -9.668 10.464 -1.890 881 HG3 LYS 42 HG1 LYS 42 -10.665 11.043 -3.225 882 HD2 LYS 42 HD2 LYS 42 -12.667 10.769 -1.880 883 HD3 LYS 42 HD1 LYS 42 -11.708 10.107 -0.553 884 HE2 LYS 42 HE2 LYS 42 -10.470 12.240 -0.434 885 HE3 LYS 42 HE1 LYS 42 -11.518 12.892 -1.692 886 HZ1 LYS 42 HZ1 LYS 42 -12.209 13.542 0.546 887 HZ2 LYS 42 HZ2 LYS 42 -12.448 11.910 0.954 888 HZ3 LYS 42 HZ3 LYS 42 -13.406 12.636 -0.243 889 H ALA 43 HN ALA 43 -9.616 7.277 -5.988 890 HA ALA 43 HA ALA 43 -10.511 4.705 -4.936 891 HB1 ALA 43 HB1 ALA 43 -10.023 5.572 -7.784 892 HB2 ALA 43 HB2 ALA 43 -11.584 5.560 -6.962 893 HB3 ALA 43 HB3 ALA 43 -10.738 4.044 -7.273 894 H ARG 44 HN ARG 44 -7.793 6.155 -6.662 895 HA ARG 44 HA ARG 44 -6.291 3.718 -6.751 896 HB2 ARG 44 HB2 ARG 44 -5.335 6.557 -7.148 897 HB3 ARG 44 HB1 ARG 44 -4.471 5.095 -7.612 898 HG2 ARG 44 HG2 ARG 44 -6.420 4.551 -9.104 899 HG3 ARG 44 HG1 ARG 44 -7.029 6.172 -8.769 900 HD2 ARG 44 HD2 ARG 44 -5.824 6.255 -10.825 901 HD3 ARG 44 HD1 ARG 44 -4.855 7.073 -9.600 902 HE ARG 44 HE ARG 44 -4.046 4.400 -9.669 903 HH11 ARG 44 HH11 ARG 44 -4.060 7.193 -11.798 904 HH12 ARG 44 HH12 ARG 44 -2.639 6.690 -12.665 905 HH21 ARG 44 HH21 ARG 44 -2.162 3.755 -10.798 906 HH22 ARG 44 HH22 ARG 44 -1.549 4.748 -12.090 907 H ILE 45 HN ILE 45 -6.999 5.793 -4.248 908 HA ILE 45 HA ILE 45 -4.649 5.740 -2.707 909 HB ILE 45 HB ILE 45 -7.543 5.695 -1.818 910 HG12 ILE 45 HG12 ILE 45 -5.514 7.929 -2.053 911 HG13 ILE 45 HG11 ILE 45 -6.927 7.690 -3.076 912 HG21 ILE 45 HG21 ILE 45 -5.076 6.225 -0.161 913 HG22 ILE 45 HG22 ILE 45 -6.128 4.815 -0.036 914 HG23 ILE 45 HG23 ILE 45 -6.744 6.414 0.383 915 HD11 ILE 45 HD11 ILE 45 -8.384 8.100 -1.166 916 HD12 ILE 45 HD12 ILE 45 -7.291 9.456 -1.448 917 HD13 ILE 45 HD13 ILE 45 -6.970 8.324 -0.134 918 H ALA 46 HN ALA 46 -7.082 3.331 -3.385 919 HA ALA 46 HA ALA 46 -6.357 1.432 -1.436 920 HB1 ALA 46 HB1 ALA 46 -7.525 0.958 -4.174 921 HB2 ALA 46 HB2 ALA 46 -8.442 1.296 -2.706 922 HB3 ALA 46 HB3 ALA 46 -7.505 -0.193 -2.839 923 H GLU 47 HN GLU 47 -5.058 2.207 -4.610 924 HA GLU 47 HA GLU 47 -3.324 -0.032 -4.815 925 HB2 GLU 47 HB2 GLU 47 -3.042 2.720 -6.043 926 HB3 GLU 47 HB1 GLU 47 -2.132 1.292 -6.515 927 HG2 GLU 47 HG2 GLU 47 -4.279 0.209 -7.143 928 HG3 GLU 47 HG1 GLU 47 -5.088 1.742 -6.818 929 H ALA 48 HN ALA 48 -3.031 3.199 -3.460 930 HA ALA 48 HA ALA 48 -0.325 3.111 -2.725 931 HB1 ALA 48 HB1 ALA 48 -2.622 4.527 -1.370 932 HB2 ALA 48 HB2 ALA 48 -1.625 5.170 -2.674 933 HB3 ALA 48 HB3 ALA 48 -0.913 4.855 -1.094 934 H GLU 49 HN GLU 49 -3.253 2.211 -0.920 935 HA GLU 49 HA GLU 49 -1.971 1.245 1.387 936 HB2 GLU 49 HB2 GLU 49 -4.601 0.418 0.144 937 HB3 GLU 49 HB1 GLU 49 -4.079 -0.030 1.761 938 HG2 GLU 49 HG2 GLU 49 -4.029 2.341 2.387 939 HG3 GLU 49 HG1 GLU 49 -4.597 2.766 0.772 940 H LYS 50 HN LYS 50 -2.840 -0.301 -1.643 941 HA LYS 50 HA LYS 50 -2.290 -2.961 -0.985 942 HB2 LYS 50 HB2 LYS 50 -3.510 -2.166 -3.001 943 HB3 LYS 50 HB1 LYS 50 -1.986 -1.607 -3.670 944 HG2 LYS 50 HG2 LYS 50 -1.164 -3.942 -3.625 945 HG3 LYS 50 HG1 LYS 50 -2.765 -4.454 -3.081 946 HD2 LYS 50 HD2 LYS 50 -3.734 -3.425 -5.118 947 HD3 LYS 50 HD1 LYS 50 -2.102 -3.052 -5.670 948 HE2 LYS 50 HE2 LYS 50 -3.258 -5.791 -5.173 949 HE3 LYS 50 HE1 LYS 50 -2.905 -5.066 -6.740 950 HZ1 LYS 50 HZ1 LYS 50 -1.076 -6.191 -4.752 951 HZ2 LYS 50 HZ2 LYS 50 -0.517 -4.892 -5.686 952 HZ3 LYS 50 HZ3 LYS 50 -1.044 -6.314 -6.445 953 H ALA 51 HN ALA 51 -0.178 -0.383 -2.140 954 HA ALA 51 HA ALA 51 2.094 -2.152 -2.392 955 HB1 ALA 51 HB1 ALA 51 3.335 -0.152 -3.012 956 HB2 ALA 51 HB2 ALA 51 1.966 0.857 -2.546 957 HB3 ALA 51 HB3 ALA 51 1.821 -0.250 -3.912 958 H GLY 52 HN GLY 52 1.045 0.424 -0.200 959 HA2 GLY 52 HA2 GLY 52 1.586 -0.103 2.204 960 HA3 GLY 52 HA1 GLY 52 3.227 -0.363 1.632 961 H VAL 53 HN VAL 53 1.183 2.153 0.373 962 HA VAL 53 HA VAL 53 3.040 4.159 1.415 963 HB VAL 53 HB VAL 53 0.758 4.606 -0.507 964 HG11 VAL 53 HG11 VAL 53 2.075 6.547 -1.206 965 HG12 VAL 53 HG12 VAL 53 3.292 6.149 0.006 966 HG13 VAL 53 HG13 VAL 53 1.667 6.614 0.509 967 HG21 VAL 53 HG21 VAL 53 3.603 3.874 -1.177 968 HG22 VAL 53 HG22 VAL 53 2.372 4.380 -2.335 969 HG23 VAL 53 HG23 VAL 53 2.176 2.872 -1.441 970 H LYS 54 HN LYS 54 2.432 5.640 2.936 971 HA LYS 54 HA LYS 54 -0.388 5.587 3.787 972 HB2 LYS 54 HB2 LYS 54 2.080 5.812 5.516 973 HB3 LYS 54 HB1 LYS 54 0.435 6.033 6.099 974 HG2 LYS 54 HG2 LYS 54 -0.113 3.751 5.504 975 HG3 LYS 54 HG1 LYS 54 1.502 3.520 4.834 976 HD2 LYS 54 HD2 LYS 54 2.463 3.914 7.057 977 HD3 LYS 54 HD1 LYS 54 0.834 4.112 7.712 978 HE2 LYS 54 HE2 LYS 54 1.777 1.851 8.096 979 HE3 LYS 54 HE1 LYS 54 0.279 1.837 7.167 980 HZ1 LYS 54 HZ1 LYS 54 1.527 1.520 5.154 981 HZ2 LYS 54 HZ2 LYS 54 1.988 0.333 6.268 982 HZ3 LYS 54 HZ3 LYS 54 3.002 1.658 5.981 983 H SER 55 HN SER 55 2.290 7.473 2.817 984 HA SER 55 HA SER 55 0.662 9.875 3.197 985 HB2 SER 55 HB2 SER 55 3.631 9.694 3.783 986 HB3 SER 55 HB1 SER 55 2.634 11.143 3.912 987 HG SER 55 HG SER 55 2.799 10.264 5.953 988 H VAL 56 HN VAL 56 0.839 11.400 1.569 989 HA VAL 56 HA VAL 56 2.159 10.488 -0.853 990 HB VAL 56 HB VAL 56 1.003 12.531 -1.882 991 HG11 VAL 56 HG11 VAL 56 -1.137 11.344 -2.036 992 HG12 VAL 56 HG12 VAL 56 -0.659 10.317 -0.683 993 HG13 VAL 56 HG13 VAL 56 0.232 10.244 -2.204 994 HG21 VAL 56 HG21 VAL 56 0.550 13.739 0.173 995 HG22 VAL 56 HG22 VAL 56 -0.468 12.416 0.746 996 HG23 VAL 56 HG23 VAL 56 -0.954 13.356 -0.666 997 HA PRO 57 HA PRO 57 4.735 13.296 -2.780 998 HB2 PRO 57 HB2 PRO 57 5.103 14.918 -0.274 999 HB3 PRO 57 HB1 PRO 57 5.589 15.308 -1.935 1000 HG2 PRO 57 HG2 PRO 57 3.126 15.993 -0.769 1001 HG3 PRO 57 HG1 PRO 57 3.480 15.988 -2.504 1002 HD2 PRO 57 HD2 PRO 57 1.616 14.322 -1.220 1003 HD3 PRO 57 HD1 PRO 57 2.315 14.024 -2.832 1004 H ALA 58 HN ALA 58 5.308 11.153 -2.592 1005 HA ALA 58 HA ALA 58 7.605 10.642 -0.890 1006 HB1 ALA 58 HB1 ALA 58 5.177 8.844 -0.880 1007 HB2 ALA 58 HB2 ALA 58 5.719 9.852 0.461 1008 HB3 ALA 58 HB3 ALA 58 6.716 8.504 -0.090 1009 H LEU 59 HN LEU 59 8.843 8.810 -1.645 1010 HA LEU 59 HA LEU 59 8.265 8.137 -4.457 1011 HB2 LEU 59 HB2 LEU 59 10.321 9.437 -4.133 1012 HB3 LEU 59 HB1 LEU 59 10.914 8.231 -3.009 1013 HG LEU 59 HG LEU 59 10.961 6.571 -4.841 1014 HD11 LEU 59 HD11 LEU 59 10.716 7.327 -7.152 1015 HD12 LEU 59 HD12 LEU 59 10.232 8.923 -6.581 1016 HD13 LEU 59 HD13 LEU 59 9.214 7.521 -6.249 1017 HD21 LEU 59 HD21 LEU 59 12.966 7.830 -4.276 1018 HD22 LEU 59 HD22 LEU 59 12.488 9.112 -5.388 1019 HD23 LEU 59 HD23 LEU 59 12.892 7.511 -6.009 1020 H VAL 60 HN VAL 60 7.458 6.156 -4.643 1021 HA VAL 60 HA VAL 60 8.144 4.138 -2.634 1022 HB VAL 60 HB VAL 60 6.011 4.032 -4.772 1023 HG11 VAL 60 HG11 VAL 60 5.076 2.214 -3.419 1024 HG12 VAL 60 HG12 VAL 60 6.450 2.331 -2.320 1025 HG13 VAL 60 HG13 VAL 60 6.700 1.832 -3.993 1026 HG21 VAL 60 HG21 VAL 60 5.784 4.772 -1.856 1027 HG22 VAL 60 HG22 VAL 60 4.434 4.556 -2.970 1028 HG23 VAL 60 HG23 VAL 60 5.590 5.862 -3.228 1029 H ILE 61 HN ILE 61 9.976 3.114 -3.178 1030 HA ILE 61 HA ILE 61 10.476 2.474 -5.992 1031 HB ILE 61 HB ILE 61 12.329 2.186 -3.620 1032 HG12 ILE 61 HG12 ILE 61 12.244 4.324 -5.764 1033 HG13 ILE 61 HG11 ILE 61 11.722 4.541 -4.097 1034 HG21 ILE 61 HG21 ILE 61 14.090 1.955 -5.316 1035 HG22 ILE 61 HG22 ILE 61 12.866 2.011 -6.585 1036 HG23 ILE 61 HG23 ILE 61 12.887 0.670 -5.439 1037 HD11 ILE 61 HD11 ILE 61 14.002 4.119 -3.332 1038 HD12 ILE 61 HD12 ILE 61 13.929 5.476 -4.457 1039 HD13 ILE 61 HD13 ILE 61 14.520 3.908 -5.005 1040 H ASP 62 HN ASP 62 9.655 0.611 -6.649 1041 HA ASP 62 HA ASP 62 9.316 -1.612 -6.891 1042 HB2 ASP 62 HB2 ASP 62 11.744 -1.713 -6.368 1043 HB3 ASP 62 HB1 ASP 62 11.345 -1.922 -4.668 1044 H GLY 63 HN GLY 63 8.136 0.072 -4.488 1045 HA2 GLY 63 HA2 GLY 63 6.007 -0.802 -3.569 1046 HA3 GLY 63 HA1 GLY 63 6.896 -2.264 -3.165 1047 H ALA 64 HN ALA 64 9.192 -0.268 -2.471 1048 HA ALA 64 HA ALA 64 8.401 0.042 0.313 1049 HB1 ALA 64 HB1 ALA 64 10.616 -0.868 -0.202 1050 HB2 ALA 64 HB2 ALA 64 10.736 0.639 0.703 1051 HB3 ALA 64 HB3 ALA 64 11.039 0.628 -1.034 1052 H ALA 65 HN ALA 65 7.364 1.819 0.914 1053 HA ALA 65 HA ALA 65 7.375 4.168 -0.766 1054 HB1 ALA 65 HB1 ALA 65 5.289 3.355 0.229 1055 HB2 ALA 65 HB2 ALA 65 5.652 5.005 0.737 1056 HB3 ALA 65 HB3 ALA 65 5.942 3.660 1.839 1057 H PHE 66 HN PHE 66 9.102 5.459 -0.623 1058 HA PHE 66 HA PHE 66 10.159 6.111 2.033 1059 HB2 PHE 66 HB2 PHE 66 11.271 6.697 -0.722 1060 HB3 PHE 66 HB1 PHE 66 12.041 7.149 0.797 1061 HD1 PHE 66 HD2 PHE 66 12.543 5.220 2.442 1062 HD2 PHE 66 HD1 PHE 66 11.781 4.669 -1.707 1063 HE1 PHE 66 HE2 PHE 66 13.660 3.031 2.533 1064 HE2 PHE 66 HE1 PHE 66 12.898 2.478 -1.625 1065 HZ PHE 66 HZ PHE 66 13.837 1.657 0.499 1066 H HIS 67 HN HIS 67 8.824 7.581 2.880 1067 HA HIS 67 HA HIS 67 7.529 9.615 1.356 1068 HB2 HIS 67 HB2 HIS 67 7.877 9.413 4.357 1069 HB3 HIS 67 HB1 HIS 67 6.695 10.405 3.508 1070 HD1 HIS 67 HD1 HIS 67 7.241 6.980 4.805 1071 HD2 HIS 67 HD2 HIS 67 4.625 8.908 2.216 1072 HE1 HIS 67 HE1 HIS 67 5.264 5.428 4.506 1073 H ILE 68 HN ILE 68 8.228 11.614 0.839 1074 HA ILE 68 HA ILE 68 10.976 12.229 1.637 1075 HB ILE 68 HB ILE 68 9.312 13.399 -0.596 1076 HG12 ILE 68 HG12 ILE 68 11.581 11.394 -0.663 1077 HG13 ILE 68 HG11 ILE 68 9.881 11.012 -0.905 1078 HG21 ILE 68 HG21 ILE 68 12.240 13.740 0.046 1079 HG22 ILE 68 HG22 ILE 68 10.991 14.973 0.206 1080 HG23 ILE 68 HG23 ILE 68 11.425 14.360 -1.389 1081 HD11 ILE 68 HD11 ILE 68 9.861 12.390 -2.916 1082 HD12 ILE 68 HD12 ILE 68 11.076 11.116 -3.012 1083 HD13 ILE 68 HD13 ILE 68 11.564 12.777 -2.668 1084 H ASN 69 HN ASN 69 11.244 13.525 3.271 1085 HA ASN 69 HA ASN 69 11.014 15.177 4.799 1086 HB2 ASN 69 HB2 ASN 69 9.599 16.549 2.505 1087 HB3 ASN 69 HB1 ASN 69 9.923 17.333 4.045 1088 HD21 ASN 69 HD21 ASN 69 10.871 17.977 1.352 1089 HD22 ASN 69 HD22 ASN 69 12.596 17.972 1.452 1090 H PHE 70 HN PHE 70 7.994 16.039 3.322 1091 HA PHE 70 HA PHE 70 6.227 14.390 4.669 1092 HB2 PHE 70 HB2 PHE 70 7.061 15.501 6.728 1093 HB3 PHE 70 HB1 PHE 70 6.591 17.061 6.061 1094 HD1 PHE 70 HD1 PHE 70 5.231 13.765 7.087 1095 HD2 PHE 70 HD2 PHE 70 4.437 17.887 6.391 1096 HE1 PHE 70 HE1 PHE 70 2.987 13.493 8.059 1097 HE2 PHE 70 HE2 PHE 70 2.192 17.622 7.360 1098 HZ PHE 70 HZ PHE 70 1.464 15.422 8.196 1099 H GLY 71 HN GLY 71 5.294 14.522 2.618 1100 HA2 GLY 71 HA2 GLY 71 4.330 17.054 1.627 1101 HA3 GLY 71 HA1 GLY 71 3.990 15.461 0.951 1102 H ALA 72 HN ALA 72 2.238 14.286 1.670 1103 HA ALA 72 HA ALA 72 0.707 15.411 3.897 1104 HB1 ALA 72 HB1 ALA 72 -1.423 15.271 2.752 1105 HB2 ALA 72 HB2 ALA 72 -0.629 14.721 1.280 1106 HB3 ALA 72 HB3 ALA 72 -0.346 16.356 1.872 1107 H GLY 73 HN GLY 73 -1.323 13.654 4.122 1108 HA2 GLY 73 HA2 GLY 73 -0.113 10.999 3.705 1109 HA3 GLY 73 HA1 GLY 73 -0.675 11.461 5.305 1110 H ILE 74 HN ILE 74 -1.739 9.257 4.419 1111 HA ILE 74 HA ILE 74 -4.107 9.453 2.921 1112 HB ILE 74 HB ILE 74 -3.274 7.563 5.123 1113 HG12 ILE 74 HG12 ILE 74 -3.538 7.261 2.123 1114 HG13 ILE 74 HG11 ILE 74 -2.033 7.387 3.029 1115 HG21 ILE 74 HG21 ILE 74 -5.709 7.701 5.154 1116 HG22 ILE 74 HG22 ILE 74 -5.165 6.140 4.540 1117 HG23 ILE 74 HG23 ILE 74 -5.755 7.370 3.422 1118 HD11 ILE 74 HD11 ILE 74 -4.028 5.141 3.225 1119 HD12 ILE 74 HD12 ILE 74 -2.514 5.262 4.123 1120 HD13 ILE 74 HD13 ILE 74 -2.487 5.096 2.367 1121 H ASP 75 HN ASP 75 -3.350 10.161 6.266 1122 HA ASP 75 HA ASP 75 -5.858 10.494 7.383 1123 HB2 ASP 75 HB2 ASP 75 -3.261 11.944 7.813 1124 HB3 ASP 75 HB1 ASP 75 -4.708 12.437 8.682 1125 H ASP 76 HN ASP 76 -4.088 12.680 5.255 1126 HA ASP 76 HA ASP 76 -5.952 14.846 5.529 1127 HB2 ASP 76 HB2 ASP 76 -3.866 14.401 3.378 1128 HB3 ASP 76 HB1 ASP 76 -4.690 15.914 3.729 1129 H LEU 77 HN LEU 77 -5.250 12.444 3.028 1130 HA LEU 77 HA LEU 77 -7.144 13.475 1.172 1131 HB2 LEU 77 HB2 LEU 77 -5.806 10.773 1.254 1132 HB3 LEU 77 HB1 LEU 77 -6.659 11.449 -0.121 1133 HG LEU 77 HG LEU 77 -4.134 12.578 1.092 1134 HD11 LEU 77 HD11 LEU 77 -3.068 11.802 -0.967 1135 HD12 LEU 77 HD12 LEU 77 -4.585 11.059 -1.473 1136 HD13 LEU 77 HD13 LEU 77 -3.745 10.461 -0.043 1137 HD21 LEU 77 HD21 LEU 77 -5.563 14.300 0.107 1138 HD22 LEU 77 HD22 LEU 77 -5.658 13.372 -1.389 1139 HD23 LEU 77 HD23 LEU 77 -4.113 14.043 -0.864 1140 H LYS 78 HN LYS 78 -7.243 10.942 3.596 1141 HA LYS 78 HA LYS 78 -9.804 9.953 2.667 1142 HB2 LYS 78 HB2 LYS 78 -8.025 8.469 3.586 1143 HB3 LYS 78 HB1 LYS 78 -8.235 9.239 5.150 1144 HG2 LYS 78 HG2 LYS 78 -10.485 8.396 5.311 1145 HG3 LYS 78 HG1 LYS 78 -10.379 7.719 3.683 1146 HD2 LYS 78 HD2 LYS 78 -8.587 6.236 4.400 1147 HD3 LYS 78 HD1 LYS 78 -8.636 6.935 6.018 1148 HE2 LYS 78 HE2 LYS 78 -10.886 5.448 4.672 1149 HE3 LYS 78 HE1 LYS 78 -9.814 4.789 5.907 1150 HZ1 LYS 78 HZ1 LYS 78 -11.777 5.455 6.996 1151 HZ2 LYS 78 HZ2 LYS 78 -11.812 6.958 6.211 1152 HZ3 LYS 78 HZ3 LYS 78 -10.620 6.638 7.374 1153 H GLY 79 HN GLY 79 -8.569 12.190 4.996 1154 HA2 GLY 79 HA2 GLY 79 -9.709 13.854 6.118 1155 HA3 GLY 79 HA1 GLY 79 -11.207 13.225 5.452 1156 H SER 80 HN SER 80 -11.877 11.062 6.426 1157 HA SER 80 HA SER 80 -11.676 11.332 9.338 1158 HB2 SER 80 HB2 SER 80 -13.733 9.783 9.232 1159 HB3 SER 80 HB1 SER 80 -13.937 11.445 8.674 1160 HG SER 80 HG SER 80 -13.342 9.253 6.963 Start of MODEL 11 1 H1 VAL 1 HT1 VAL 1 23.879 17.331 -13.637 2 H2 VAL 1 HT2 VAL 1 24.393 18.467 -14.782 3 H3 VAL 1 HT3 VAL 1 24.972 18.549 -13.190 4 HA VAL 1 HA VAL 1 25.522 16.417 -15.172 5 HB VAL 1 HB VAL 1 27.424 18.351 -13.831 6 HG11 VAL 1 HG11 VAL 1 29.059 17.491 -15.442 7 HG12 VAL 1 HG12 VAL 1 27.858 16.349 -16.045 8 HG13 VAL 1 HG13 VAL 1 28.448 16.215 -14.389 9 HG21 VAL 1 HG21 VAL 1 25.999 19.538 -15.405 10 HG22 VAL 1 HG22 VAL 1 26.376 18.358 -16.660 11 HG23 VAL 1 HG23 VAL 1 27.643 19.411 -16.031 12 H ALA 2 HN ALA 2 26.863 17.646 -12.114 13 HA ALA 2 HA ALA 2 26.290 15.281 -10.639 14 HB1 ALA 2 HB1 ALA 2 28.106 14.382 -12.025 15 HB2 ALA 2 HB2 ALA 2 28.575 14.477 -10.327 16 HB3 ALA 2 HB3 ALA 2 29.166 15.680 -11.473 17 H SER 3 HN SER 3 25.520 16.761 -9.132 18 HA SER 3 HA SER 3 27.327 18.804 -8.150 19 HB2 SER 3 HB2 SER 3 25.315 19.429 -6.717 20 HB3 SER 3 HB1 SER 3 25.110 19.588 -8.462 21 HG SER 3 HG SER 3 23.322 18.541 -7.608 22 H LYS 4 HN LYS 4 25.081 17.092 -6.051 23 HA LYS 4 HA LYS 4 26.948 15.453 -4.730 24 HB2 LYS 4 HB2 LYS 4 27.942 17.637 -4.107 25 HB3 LYS 4 HB1 LYS 4 26.421 18.098 -3.358 26 HG2 LYS 4 HG2 LYS 4 26.659 16.508 -1.644 27 HG3 LYS 4 HG1 LYS 4 27.964 15.674 -2.494 28 HD2 LYS 4 HD2 LYS 4 29.285 17.828 -2.288 29 HD3 LYS 4 HD1 LYS 4 28.035 18.375 -1.169 30 HE2 LYS 4 HE2 LYS 4 28.508 16.579 0.339 31 HE3 LYS 4 HE1 LYS 4 29.596 15.823 -0.825 32 HZ1 LYS 4 HZ1 LYS 4 30.864 16.979 0.839 33 HZ2 LYS 4 HZ2 LYS 4 30.018 18.421 0.552 34 HZ3 LYS 4 HZ3 LYS 4 31.037 17.786 -0.642 35 H ALA 5 HN ALA 5 25.962 14.144 -3.279 36 HA ALA 5 HA ALA 5 23.280 14.880 -2.329 37 HB1 ALA 5 HB1 ALA 5 23.006 13.340 -4.216 38 HB2 ALA 5 HB2 ALA 5 22.502 12.592 -2.700 39 HB3 ALA 5 HB3 ALA 5 24.057 12.171 -3.417 40 H ILE 6 HN ILE 6 23.556 15.096 -0.210 41 HA ILE 6 HA ILE 6 25.519 13.420 1.177 42 HB ILE 6 HB ILE 6 23.947 15.732 2.327 43 HG12 ILE 6 HG12 ILE 6 26.713 15.806 1.094 44 HG13 ILE 6 HG11 ILE 6 25.259 16.435 0.326 45 HG21 ILE 6 HG21 ILE 6 25.780 15.804 3.954 46 HG22 ILE 6 HG22 ILE 6 26.532 14.418 3.164 47 HG23 ILE 6 HG23 ILE 6 24.968 14.238 3.960 48 HD11 ILE 6 HD11 ILE 6 25.005 18.049 2.141 49 HD12 ILE 6 HD12 ILE 6 26.562 18.215 1.331 50 HD13 ILE 6 HD13 ILE 6 26.466 17.418 2.901 51 H PHE 7 HN PHE 7 24.947 11.959 2.749 52 HA PHE 7 HA PHE 7 22.052 11.605 3.171 53 HB2 PHE 7 HB2 PHE 7 23.027 9.912 1.624 54 HB3 PHE 7 HB1 PHE 7 24.118 9.408 2.907 55 HD1 PHE 7 HD1 PHE 7 20.500 9.773 2.129 56 HD2 PHE 7 HD2 PHE 7 23.489 7.715 4.354 57 HE1 PHE 7 HE1 PHE 7 18.805 8.174 2.918 58 HE2 PHE 7 HE2 PHE 7 21.799 6.113 5.149 59 HZ PHE 7 HZ PHE 7 19.454 6.341 4.430 60 H TYR 8 HN TYR 8 21.906 12.510 5.167 61 HA TYR 8 HA TYR 8 23.727 11.726 7.295 62 HB2 TYR 8 HB2 TYR 8 21.342 13.569 7.173 63 HB3 TYR 8 HB1 TYR 8 22.093 13.128 8.700 64 HD1 TYR 8 HD1 TYR 8 22.580 14.936 5.524 65 HD2 TYR 8 HD2 TYR 8 24.176 14.085 9.374 66 HE1 TYR 8 HE1 TYR 8 24.189 16.778 5.260 67 HE2 TYR 8 HE2 TYR 8 25.793 15.918 9.118 68 HH TYR 8 HH TYR 8 26.824 17.261 7.455 69 H HIS 9 HN HIS 9 23.389 10.022 8.584 70 HA HIS 9 HA HIS 9 20.645 9.195 9.128 71 HB2 HIS 9 HB2 HIS 9 21.042 6.872 8.603 72 HB3 HIS 9 HB1 HIS 9 21.408 7.846 7.185 73 HD2 HIS 9 HD2 HIS 9 24.196 8.094 6.619 74 HE1 HIS 9 HE1 HIS 9 25.177 4.730 8.985 75 HE2 HIS 9 HE2 HIS 9 25.907 6.198 7.059 76 H ALA 10 HN ALA 10 20.918 7.091 10.706 77 HA ALA 10 HA ALA 10 22.807 7.998 12.781 78 HB1 ALA 10 HB1 ALA 10 20.519 8.664 13.328 79 HB2 ALA 10 HB2 ALA 10 21.136 7.472 14.473 80 HB3 ALA 10 HB3 ALA 10 20.000 6.982 13.215 81 H GLY 11 HN GLY 11 22.528 5.641 10.700 82 HA2 GLY 11 HA2 GLY 11 23.339 3.494 10.626 83 HA3 GLY 11 HA1 GLY 11 23.968 3.754 12.247 84 H CYS 12 HN CYS 12 20.840 3.260 10.621 85 HA CYS 12 HA CYS 12 20.250 1.156 12.563 86 HB2 CYS 12 HB2 CYS 12 18.032 2.007 13.007 87 HB3 CYS 12 HB1 CYS 12 19.187 3.286 13.347 88 HG CYS 12 HG CYS 12 16.534 3.666 11.770 89 HA PRO 13 HA PRO 13 18.714 -1.327 9.244 90 HB2 PRO 13 HB2 PRO 13 15.979 -1.547 9.930 91 HB3 PRO 13 HB1 PRO 13 17.274 -2.672 10.344 92 HG2 PRO 13 HG2 PRO 13 16.063 -0.496 11.966 93 HG3 PRO 13 HG1 PRO 13 16.731 -2.054 12.487 94 HD2 PRO 13 HD2 PRO 13 18.068 0.220 12.890 95 HD3 PRO 13 HD1 PRO 13 18.920 -1.270 12.436 96 H VAL 14 HN VAL 14 16.457 1.290 10.107 97 HA VAL 14 HA VAL 14 15.160 1.496 7.630 98 HB VAL 14 HB VAL 14 15.696 3.717 9.614 99 HG11 VAL 14 HG11 VAL 14 14.972 4.578 7.458 100 HG12 VAL 14 HG12 VAL 14 13.696 4.766 8.661 101 HG13 VAL 14 HG13 VAL 14 13.595 3.475 7.463 102 HG21 VAL 14 HG21 VAL 14 14.601 1.816 10.668 103 HG22 VAL 14 HG22 VAL 14 13.370 1.809 9.405 104 HG23 VAL 14 HG23 VAL 14 13.484 3.172 10.518 105 H CYS 15 HN CYS 15 18.176 2.884 8.793 106 HA CYS 15 HA CYS 15 18.589 4.639 6.591 107 HB2 CYS 15 HB2 CYS 15 20.638 3.425 8.462 108 HB3 CYS 15 HB1 CYS 15 20.882 4.823 7.422 109 HG CYS 15 HG CYS 15 18.571 4.778 9.947 110 H VAL 16 HN VAL 16 19.511 1.322 7.330 111 HA VAL 16 HA VAL 16 21.213 0.914 5.110 112 HB VAL 16 HB VAL 16 19.590 -1.145 6.617 113 HG11 VAL 16 HG11 VAL 16 20.444 -2.009 4.511 114 HG12 VAL 16 HG12 VAL 16 21.314 -2.725 5.868 115 HG13 VAL 16 HG13 VAL 16 22.065 -1.443 4.917 116 HG21 VAL 16 HG21 VAL 16 22.394 -0.146 7.111 117 HG22 VAL 16 HG22 VAL 16 21.606 -1.472 7.967 118 HG23 VAL 16 HG23 VAL 16 20.983 0.170 8.122 119 H SER 17 HN SER 17 17.744 0.410 5.605 120 HA SER 17 HA SER 17 17.112 -0.739 3.146 121 HB2 SER 17 HB2 SER 17 15.423 1.236 4.702 122 HB3 SER 17 HB1 SER 17 14.847 0.029 3.551 123 HG SER 17 HG SER 17 15.050 -1.490 5.013 124 H ALA 18 HN ALA 18 17.200 2.696 4.075 125 HA ALA 18 HA ALA 18 16.580 3.713 1.514 126 HB1 ALA 18 HB1 ALA 18 18.100 5.042 3.758 127 HB2 ALA 18 HB2 ALA 18 16.347 5.030 3.565 128 HB3 ALA 18 HB3 ALA 18 17.358 5.856 2.379 129 H GLU 19 HN GLU 19 19.562 2.723 3.030 130 HA GLU 19 HA GLU 19 21.368 3.880 1.195 131 HB2 GLU 19 HB2 GLU 19 22.042 3.056 3.403 132 HB3 GLU 19 HB1 GLU 19 21.656 1.412 2.917 133 HG2 GLU 19 HG2 GLU 19 23.389 1.649 1.118 134 HG3 GLU 19 HG1 GLU 19 23.862 3.165 1.883 135 H GLN 20 HN GLN 20 19.935 0.623 1.375 136 HA GLN 20 HA GLN 20 21.298 -0.172 -1.050 137 HB2 GLN 20 HB2 GLN 20 19.279 -1.673 0.618 138 HB3 GLN 20 HB1 GLN 20 20.240 -2.351 -0.690 139 HG2 GLN 20 HG2 GLN 20 22.284 -1.785 0.604 140 HG3 GLN 20 HG1 GLN 20 21.243 -1.297 1.941 141 HE21 GLN 20 HE21 GLN 20 23.227 -3.407 1.850 142 HE22 GLN 20 HE22 GLN 20 22.395 -4.881 2.211 143 H ALA 21 HN ALA 21 18.488 1.514 -0.456 144 HA ALA 21 HA ALA 21 17.350 0.597 -3.016 145 HB1 ALA 21 HB1 ALA 21 15.941 2.049 -0.783 146 HB2 ALA 21 HB2 ALA 21 15.833 0.320 -1.117 147 HB3 ALA 21 HB3 ALA 21 15.210 1.483 -2.285 148 H VAL 22 HN VAL 22 17.311 3.609 -1.102 149 HA VAL 22 HA VAL 22 16.970 5.214 -3.439 150 HB VAL 22 HB VAL 22 17.707 6.113 -0.647 151 HG11 VAL 22 HG11 VAL 22 16.714 8.249 -1.326 152 HG12 VAL 22 HG12 VAL 22 16.462 7.610 -2.950 153 HG13 VAL 22 HG13 VAL 22 18.099 7.823 -2.331 154 HG21 VAL 22 HG21 VAL 22 14.985 5.784 -1.904 155 HG22 VAL 22 HG22 VAL 22 15.307 6.496 -0.324 156 HG23 VAL 22 HG23 VAL 22 15.660 4.792 -0.612 157 H ALA 23 HN ALA 23 19.648 4.833 -1.106 158 HA ALA 23 HA ALA 23 21.413 6.505 -2.625 159 HB1 ALA 23 HB1 ALA 23 21.592 6.319 -0.192 160 HB2 ALA 23 HB2 ALA 23 23.100 5.873 -0.989 161 HB3 ALA 23 HB3 ALA 23 22.035 4.619 -0.355 162 H ASN 24 HN ASN 24 20.301 3.480 -3.203 163 HA ASN 24 HA ASN 24 22.766 2.468 -4.390 164 HB2 ASN 24 HB2 ASN 24 21.179 0.949 -3.158 165 HB3 ASN 24 HB1 ASN 24 19.999 1.238 -4.433 166 HD21 ASN 24 HD21 ASN 24 23.022 -0.250 -3.598 167 HD22 ASN 24 HD22 ASN 24 23.128 -1.288 -4.991 168 H ALA 25 HN ALA 25 19.674 3.847 -5.224 169 HA ALA 25 HA ALA 25 19.969 3.510 -8.057 170 HB1 ALA 25 HB1 ALA 25 18.000 4.942 -8.217 171 HB2 ALA 25 HB2 ALA 25 18.118 5.308 -6.495 172 HB3 ALA 25 HB3 ALA 25 17.759 3.664 -7.027 173 H ILE 26 HN ILE 26 20.605 6.034 -5.695 174 HA ILE 26 HA ILE 26 21.381 8.012 -7.602 175 HB ILE 26 HB ILE 26 22.174 7.816 -4.688 176 HG12 ILE 26 HG12 ILE 26 19.879 9.324 -5.964 177 HG13 ILE 26 HG11 ILE 26 19.715 7.835 -5.039 178 HG21 ILE 26 HG21 ILE 26 23.588 9.327 -5.980 179 HG22 ILE 26 HG22 ILE 26 22.560 10.229 -4.867 180 HG23 ILE 26 HG23 ILE 26 22.158 10.166 -6.582 181 HD11 ILE 26 HD11 ILE 26 19.135 9.784 -3.711 182 HD12 ILE 26 HD12 ILE 26 20.742 10.459 -3.983 183 HD13 ILE 26 HD13 ILE 26 20.555 8.970 -3.057 184 H ASP 27 HN ASP 27 22.849 7.242 -9.000 185 HA ASP 27 HA ASP 27 24.983 5.527 -8.377 186 HB2 ASP 27 HB2 ASP 27 23.980 5.870 -10.647 187 HB3 ASP 27 HB1 ASP 27 24.791 7.430 -10.720 188 HA PRO 28 HA PRO 28 27.787 8.367 -6.456 189 HB2 PRO 28 HB2 PRO 28 30.027 6.826 -6.604 190 HB3 PRO 28 HB1 PRO 28 28.733 6.555 -5.434 191 HG2 PRO 28 HG2 PRO 28 29.256 5.173 -8.035 192 HG3 PRO 28 HG1 PRO 28 28.770 4.480 -6.476 193 HD2 PRO 28 HD2 PRO 28 27.013 4.898 -8.485 194 HD3 PRO 28 HD1 PRO 28 26.553 5.039 -6.776 195 H SER 29 HN SER 29 28.035 7.342 -9.724 196 HA SER 29 HA SER 29 30.129 9.345 -10.231 197 HB2 SER 29 HB2 SER 29 30.517 7.124 -11.236 198 HB3 SER 29 HB1 SER 29 28.977 7.239 -12.086 199 HG SER 29 HG SER 29 29.981 9.315 -12.924 200 H LYS 30 HN LYS 30 26.856 9.014 -10.074 201 HA LYS 30 HA LYS 30 26.242 10.949 -12.174 202 HB2 LYS 30 HB2 LYS 30 24.753 8.988 -11.788 203 HB3 LYS 30 HB1 LYS 30 24.421 9.591 -10.171 204 HG2 LYS 30 HG2 LYS 30 23.504 11.665 -11.239 205 HG3 LYS 30 HG1 LYS 30 23.650 10.841 -12.794 206 HD2 LYS 30 HD2 LYS 30 22.196 9.045 -11.962 207 HD3 LYS 30 HD1 LYS 30 22.035 9.896 -10.425 208 HE2 LYS 30 HE2 LYS 30 20.096 10.431 -11.646 209 HE3 LYS 30 HE1 LYS 30 21.133 11.850 -11.764 210 HZ1 LYS 30 HZ1 LYS 30 20.731 9.757 -13.834 211 HZ2 LYS 30 HZ2 LYS 30 21.867 11.020 -13.958 212 HZ3 LYS 30 HZ3 LYS 30 20.211 11.369 -13.896 213 H TYR 31 HN TYR 31 26.165 10.569 -8.669 214 HA TYR 31 HA TYR 31 26.521 13.447 -8.367 215 HB2 TYR 31 HB2 TYR 31 24.307 11.864 -7.048 216 HB3 TYR 31 HB1 TYR 31 24.872 13.410 -6.425 217 HD1 TYR 31 HD1 TYR 31 24.834 15.396 -8.088 218 HD2 TYR 31 HD2 TYR 31 22.594 11.822 -8.633 219 HE1 TYR 31 HE1 TYR 31 23.324 16.585 -9.618 220 HE2 TYR 31 HE2 TYR 31 21.075 13.003 -10.167 221 HH TYR 31 HH TYR 31 20.353 15.266 -10.686 222 H THR 32 HN THR 32 27.779 13.987 -6.619 223 HA THR 32 HA THR 32 29.410 11.977 -5.481 224 HB THR 32 HB THR 32 29.093 14.790 -4.424 225 HG1 THR 32 HG1 THR 32 30.622 15.386 -6.002 226 HG21 THR 32 HG21 THR 32 30.488 13.296 -3.080 227 HG22 THR 32 HG22 THR 32 31.472 14.532 -3.864 228 HG23 THR 32 HG23 THR 32 31.442 12.889 -4.505 229 H VAL 33 HN VAL 33 28.345 10.500 -4.245 230 HA VAL 33 HA VAL 33 26.349 11.283 -2.323 231 HB VAL 33 HB VAL 33 27.641 8.575 -2.712 232 HG11 VAL 33 HG11 VAL 33 26.563 8.803 -0.543 233 HG12 VAL 33 HG12 VAL 33 25.639 7.718 -1.582 234 HG13 VAL 33 HG13 VAL 33 25.085 9.371 -1.320 235 HG21 VAL 33 HG21 VAL 33 25.092 9.693 -3.877 236 HG22 VAL 33 HG22 VAL 33 25.629 8.018 -4.010 237 HG23 VAL 33 HG23 VAL 33 26.567 9.306 -4.765 238 H GLU 34 HN GLU 34 26.808 12.057 -0.406 239 HA GLU 34 HA GLU 34 29.322 11.261 0.920 240 HB2 GLU 34 HB2 GLU 34 29.275 13.633 0.334 241 HB3 GLU 34 HB1 GLU 34 27.730 13.826 1.145 242 HG2 GLU 34 HG2 GLU 34 29.502 14.725 2.503 243 HG3 GLU 34 HG1 GLU 34 28.799 13.314 3.288 244 H ILE 35 HN ILE 35 28.610 9.547 2.139 245 HA ILE 35 HA ILE 35 26.114 9.733 3.595 246 HB ILE 35 HB ILE 35 28.181 7.532 3.465 247 HG12 ILE 35 HG12 ILE 35 25.426 7.818 2.243 248 HG13 ILE 35 HG11 ILE 35 26.955 7.897 1.376 249 HG21 ILE 35 HG21 ILE 35 26.509 6.126 4.587 250 HG22 ILE 35 HG22 ILE 35 25.478 7.540 4.803 251 HG23 ILE 35 HG23 ILE 35 27.044 7.459 5.610 252 HD11 ILE 35 HD11 ILE 35 27.386 5.564 1.909 253 HD12 ILE 35 HD12 ILE 35 25.844 5.752 1.070 254 HD13 ILE 35 HD13 ILE 35 25.873 5.483 2.814 255 H VAL 36 HN VAL 36 25.880 10.313 5.648 256 HA VAL 36 HA VAL 36 28.303 10.641 7.304 257 HB VAL 36 HB VAL 36 25.885 12.457 7.250 258 HG11 VAL 36 HG11 VAL 36 27.178 13.878 8.771 259 HG12 VAL 36 HG12 VAL 36 28.451 12.659 8.820 260 HG13 VAL 36 HG13 VAL 36 26.854 12.291 9.471 261 HG21 VAL 36 HG21 VAL 36 27.400 14.148 6.336 262 HG22 VAL 36 HG22 VAL 36 27.264 12.755 5.265 263 HG23 VAL 36 HG23 VAL 36 28.696 12.954 6.274 264 H HIS 37 HN HIS 37 28.230 9.295 8.984 265 HA HIS 37 HA HIS 37 25.698 8.371 10.062 266 HB2 HIS 37 HB2 HIS 37 27.773 6.918 9.867 267 HB3 HIS 37 HB1 HIS 37 28.473 7.874 11.167 268 HD2 HIS 37 HD2 HIS 37 26.406 4.775 10.681 269 HE1 HIS 37 HE1 HIS 37 25.873 5.946 14.710 270 HE2 HIS 37 HE2 HIS 37 25.723 4.022 13.069 271 H LEU 38 HN LEU 38 24.833 10.367 10.771 272 HA LEU 38 HA LEU 38 26.279 12.115 12.506 273 HB2 LEU 38 HB2 LEU 38 24.438 12.812 10.951 274 HB3 LEU 38 HB1 LEU 38 23.302 12.016 12.023 275 HG LEU 38 HG LEU 38 24.008 13.563 13.846 276 HD11 LEU 38 HD11 LEU 38 25.528 14.927 11.630 277 HD12 LEU 38 HD12 LEU 38 26.228 14.114 13.029 278 HD13 LEU 38 HD13 LEU 38 25.267 15.575 13.249 279 HD21 LEU 38 HD21 LEU 38 22.009 14.022 12.537 280 HD22 LEU 38 HD22 LEU 38 22.979 14.874 11.334 281 HD23 LEU 38 HD23 LEU 38 22.834 15.520 12.969 282 H GLY 39 HN GLY 39 24.654 9.209 12.969 283 HA2 GLY 39 HA2 GLY 39 23.548 9.488 15.525 284 HA3 GLY 39 HA1 GLY 39 24.165 7.987 14.847 285 H THR 40 HN THR 40 26.865 8.731 14.523 286 HA THR 40 HA THR 40 27.665 9.030 17.337 287 HB THR 40 HB THR 40 28.259 6.863 16.188 288 HG1 THR 40 HG1 THR 40 29.641 8.355 17.838 289 HG21 THR 40 HG21 THR 40 30.175 6.861 14.663 290 HG22 THR 40 HG22 THR 40 30.195 8.625 14.679 291 HG23 THR 40 HG23 THR 40 28.823 7.765 13.979 292 H ASP 41 HN ASP 41 27.765 10.512 14.270 293 HA ASP 41 HA ASP 41 30.143 12.099 14.786 294 HB2 ASP 41 HB2 ASP 41 29.018 11.282 12.483 295 HB3 ASP 41 HB1 ASP 41 28.222 12.843 12.633 296 H LYS 42 HN LYS 42 28.426 12.370 16.843 297 HA LYS 42 HA LYS 42 26.344 14.228 16.643 298 HB2 LYS 42 HB2 LYS 42 26.657 12.637 18.508 299 HB3 LYS 42 HB1 LYS 42 28.051 13.558 19.048 300 HG2 LYS 42 HG2 LYS 42 26.567 15.505 19.417 301 HG3 LYS 42 HG1 LYS 42 25.188 14.487 18.990 302 HD2 LYS 42 HD2 LYS 42 25.773 12.960 20.833 303 HD3 LYS 42 HD1 LYS 42 27.111 14.023 21.270 304 HE2 LYS 42 HE2 LYS 42 25.505 15.842 21.679 305 HE3 LYS 42 HE1 LYS 42 24.182 14.745 21.286 306 HZ1 LYS 42 HZ1 LYS 42 26.090 14.468 23.548 307 HZ2 LYS 42 HZ2 LYS 42 24.903 13.328 23.146 308 HZ3 LYS 42 HZ3 LYS 42 24.448 14.882 23.657 309 H ALA 43 HN ALA 43 29.769 14.693 16.924 310 HA ALA 43 HA ALA 43 29.755 17.317 17.977 311 HB1 ALA 43 HB1 ALA 43 31.738 15.880 17.998 312 HB2 ALA 43 HB2 ALA 43 32.066 17.436 17.235 313 HB3 ALA 43 HB3 ALA 43 31.838 15.997 16.240 314 H ARG 44 HN ARG 44 28.988 16.089 14.872 315 HA ARG 44 HA ARG 44 29.370 18.715 13.630 316 HB2 ARG 44 HB2 ARG 44 30.333 16.728 12.505 317 HB3 ARG 44 HB1 ARG 44 28.719 16.055 12.347 318 HG2 ARG 44 HG2 ARG 44 28.135 17.477 10.670 319 HG3 ARG 44 HG1 ARG 44 29.212 18.756 11.229 320 HD2 ARG 44 HD2 ARG 44 29.944 17.759 9.104 321 HD3 ARG 44 HD1 ARG 44 31.131 17.565 10.391 322 HE ARG 44 HE ARG 44 30.137 15.225 10.606 323 HH11 ARG 44 HH11 ARG 44 30.075 17.029 7.605 324 HH12 ARG 44 HH12 ARG 44 30.322 15.634 6.602 325 HH21 ARG 44 HH21 ARG 44 30.468 13.373 9.295 326 HH22 ARG 44 HH22 ARG 44 30.536 13.534 7.567 327 H ILE 45 HN ILE 45 27.143 17.595 15.500 328 HA ILE 45 HA ILE 45 24.701 17.673 14.151 329 HB ILE 45 HB ILE 45 24.980 17.016 16.540 330 HG12 ILE 45 HG12 ILE 45 22.944 19.214 16.114 331 HG13 ILE 45 HG11 ILE 45 22.756 17.549 15.575 332 HG21 ILE 45 HG21 ILE 45 26.456 18.799 17.274 333 HG22 ILE 45 HG22 ILE 45 25.000 18.756 18.270 334 HG23 ILE 45 HG23 ILE 45 25.177 19.987 17.019 335 HD11 ILE 45 HD11 ILE 45 21.526 17.961 17.626 336 HD12 ILE 45 HD12 ILE 45 23.015 18.456 18.432 337 HD13 ILE 45 HD13 ILE 45 22.817 16.789 17.890 338 H ALA 46 HN ALA 46 26.870 20.225 15.086 339 HA ALA 46 HA ALA 46 25.129 22.424 14.857 340 HB1 ALA 46 HB1 ALA 46 28.104 22.321 14.377 341 HB2 ALA 46 HB2 ALA 46 27.317 22.560 15.937 342 HB3 ALA 46 HB3 ALA 46 27.147 23.774 14.669 343 H GLU 47 HN GLU 47 26.937 20.587 12.480 344 HA GLU 47 HA GLU 47 26.483 22.438 10.335 345 HB2 GLU 47 HB2 GLU 47 28.414 20.989 10.229 346 HB3 GLU 47 HB1 GLU 47 27.403 19.557 10.353 347 HG2 GLU 47 HG2 GLU 47 26.503 19.909 8.179 348 HG3 GLU 47 HG1 GLU 47 27.251 21.500 8.065 349 H ALA 48 HN ALA 48 24.960 19.508 11.547 350 HA ALA 48 HA ALA 48 23.106 19.082 9.500 351 HB1 ALA 48 HB1 ALA 48 23.494 17.477 11.295 352 HB2 ALA 48 HB2 ALA 48 21.783 17.886 11.175 353 HB3 ALA 48 HB3 ALA 48 22.770 18.588 12.456 354 H GLU 49 HN GLU 49 22.974 21.177 12.330 355 HA GLU 49 HA GLU 49 20.373 22.163 12.098 356 HB2 GLU 49 HB2 GLU 49 22.887 23.542 13.061 357 HB3 GLU 49 HB1 GLU 49 21.259 24.151 13.317 358 HG2 GLU 49 HG2 GLU 49 22.089 21.436 14.270 359 HG3 GLU 49 HG1 GLU 49 22.381 22.891 15.223 360 H LYS 50 HN LYS 50 23.326 23.071 10.439 361 HA LYS 50 HA LYS 50 22.112 25.427 9.269 362 HB2 LYS 50 HB2 LYS 50 24.879 24.241 9.009 363 HB3 LYS 50 HB1 LYS 50 24.369 25.753 8.263 364 HG2 LYS 50 HG2 LYS 50 23.989 26.755 10.404 365 HG3 LYS 50 HG1 LYS 50 24.270 25.220 11.223 366 HD2 LYS 50 HD2 LYS 50 26.594 25.246 10.513 367 HD3 LYS 50 HD1 LYS 50 26.323 26.748 9.625 368 HE2 LYS 50 HE2 LYS 50 25.784 27.901 11.692 369 HE3 LYS 50 HE1 LYS 50 25.963 26.402 12.600 370 HZ1 LYS 50 HZ1 LYS 50 28.283 26.359 12.118 371 HZ2 LYS 50 HZ2 LYS 50 27.911 27.899 12.720 372 HZ3 LYS 50 HZ3 LYS 50 28.156 27.678 11.057 373 H ALA 51 HN ALA 51 22.817 22.152 8.395 374 HA ALA 51 HA ALA 51 22.394 22.542 5.578 375 HB1 ALA 51 HB1 ALA 51 22.371 19.999 7.203 376 HB2 ALA 51 HB2 ALA 51 23.780 20.700 6.406 377 HB3 ALA 51 HB3 ALA 51 22.427 20.106 5.443 378 H GLY 52 HN GLY 52 20.454 21.749 8.371 379 HA2 GLY 52 HA2 GLY 52 18.113 22.283 8.397 380 HA3 GLY 52 HA1 GLY 52 18.053 21.926 6.676 381 H VAL 53 HN VAL 53 19.734 19.887 8.941 382 HA VAL 53 HA VAL 53 17.995 17.672 8.216 383 HB VAL 53 HB VAL 53 20.478 17.683 9.945 384 HG11 VAL 53 HG11 VAL 53 18.982 15.388 8.682 385 HG12 VAL 53 HG12 VAL 53 19.016 15.782 10.400 386 HG13 VAL 53 HG13 VAL 53 20.492 15.265 9.584 387 HG21 VAL 53 HG21 VAL 53 20.137 16.973 7.033 388 HG22 VAL 53 HG22 VAL 53 21.614 16.761 7.973 389 HG23 VAL 53 HG23 VAL 53 20.984 18.381 7.672 390 H LYS 54 HN LYS 54 16.142 17.643 9.313 391 HA LYS 54 HA LYS 54 16.154 18.292 12.174 392 HB2 LYS 54 HB2 LYS 54 13.819 17.944 10.278 393 HB3 LYS 54 HB1 LYS 54 13.720 18.486 11.949 394 HG2 LYS 54 HG2 LYS 54 14.982 20.487 11.400 395 HG3 LYS 54 HG1 LYS 54 15.156 19.935 9.734 396 HD2 LYS 54 HD2 LYS 54 12.697 19.988 9.497 397 HD3 LYS 54 HD1 LYS 54 12.576 20.626 11.138 398 HE2 LYS 54 HE2 LYS 54 13.911 22.571 10.470 399 HE3 LYS 54 HE1 LYS 54 14.013 21.935 8.829 400 HZ1 LYS 54 HZ1 LYS 54 11.567 22.077 8.715 401 HZ2 LYS 54 HZ2 LYS 54 12.304 23.587 8.939 402 HZ3 LYS 54 HZ3 LYS 54 11.552 22.812 10.245 403 H SER 55 HN SER 55 15.920 15.666 9.996 404 HA SER 55 HA SER 55 15.619 13.828 12.224 405 HB2 SER 55 HB2 SER 55 13.769 13.718 9.826 406 HB3 SER 55 HB1 SER 55 13.816 12.558 11.154 407 HG SER 55 HG SER 55 13.555 15.043 12.133 408 H VAL 56 HN VAL 56 16.015 11.545 11.495 409 HA VAL 56 HA VAL 56 17.615 11.436 9.029 410 HB VAL 56 HB VAL 56 19.134 9.802 10.145 411 HG11 VAL 56 HG11 VAL 56 20.431 11.468 11.393 412 HG12 VAL 56 HG12 VAL 56 19.033 12.544 11.398 413 HG13 VAL 56 HG13 VAL 56 19.814 12.119 9.875 414 HG21 VAL 56 HG21 VAL 56 17.689 9.086 11.959 415 HG22 VAL 56 HG22 VAL 56 17.726 10.705 12.655 416 HG23 VAL 56 HG23 VAL 56 19.197 9.735 12.603 417 HA PRO 57 HA PRO 57 18.748 9.823 8.027 418 HB2 PRO 57 HB2 PRO 57 18.365 8.669 5.628 419 HB3 PRO 57 HB1 PRO 57 18.893 7.747 7.040 420 HG2 PRO 57 HG2 PRO 57 16.173 7.959 5.822 421 HG3 PRO 57 HG1 PRO 57 16.997 6.538 6.489 422 HD2 PRO 57 HD2 PRO 57 15.098 8.002 7.836 423 HD3 PRO 57 HD1 PRO 57 16.347 7.019 8.624 424 H ALA 58 HN ALA 58 19.256 11.357 6.442 425 HA ALA 58 HA ALA 58 16.983 12.663 5.107 426 HB1 ALA 58 HB1 ALA 58 17.514 13.928 7.138 427 HB2 ALA 58 HB2 ALA 58 17.877 14.855 5.681 428 HB3 ALA 58 HB3 ALA 58 19.183 14.098 6.592 429 H LEU 59 HN LEU 59 17.323 13.073 3.032 430 HA LEU 59 HA LEU 59 20.027 12.713 1.955 431 HB2 LEU 59 HB2 LEU 59 18.254 11.277 1.049 432 HB3 LEU 59 HB1 LEU 59 17.336 12.696 0.585 433 HG LEU 59 HG LEU 59 19.155 13.316 -0.987 434 HD11 LEU 59 HD11 LEU 59 21.009 12.200 0.122 435 HD12 LEU 59 HD12 LEU 59 20.853 11.645 -1.546 436 HD13 LEU 59 HD13 LEU 59 20.286 10.628 -0.221 437 HD21 LEU 59 HD21 LEU 59 17.982 10.564 -1.362 438 HD22 LEU 59 HD22 LEU 59 18.647 11.584 -2.639 439 HD23 LEU 59 HD23 LEU 59 17.201 12.092 -1.765 440 H VAL 60 HN VAL 60 21.087 14.568 1.842 441 HA VAL 60 HA VAL 60 19.648 17.035 1.176 442 HB VAL 60 HB VAL 60 22.491 16.705 2.161 443 HG11 VAL 60 HG11 VAL 60 22.354 19.111 2.641 444 HG12 VAL 60 HG12 VAL 60 20.754 19.157 1.901 445 HG13 VAL 60 HG13 VAL 60 22.166 18.766 0.922 446 HG21 VAL 60 HG21 VAL 60 20.915 15.952 3.850 447 HG22 VAL 60 HG22 VAL 60 19.994 17.448 3.684 448 HG23 VAL 60 HG23 VAL 60 21.637 17.489 4.327 449 H ILE 61 HN ILE 61 19.447 17.089 -0.997 450 HA ILE 61 HA ILE 61 21.743 16.396 -2.672 451 HB ILE 61 HB ILE 61 18.913 17.094 -3.483 452 HG12 ILE 61 HG12 ILE 61 20.305 14.409 -3.312 453 HG13 ILE 61 HG11 ILE 61 19.075 14.992 -2.196 454 HG21 ILE 61 HG21 ILE 61 19.554 16.185 -5.675 455 HG22 ILE 61 HG22 ILE 61 21.210 15.987 -5.099 456 HG23 ILE 61 HG23 ILE 61 20.513 17.600 -5.241 457 HD11 ILE 61 HD11 ILE 61 18.143 13.426 -3.793 458 HD12 ILE 61 HD12 ILE 61 18.684 14.444 -5.129 459 HD13 ILE 61 HD13 ILE 61 17.449 15.033 -4.015 460 H ASP 62 HN ASP 62 23.124 17.929 -3.117 461 HA ASP 62 HA ASP 62 24.065 19.868 -3.811 462 HB2 ASP 62 HB2 ASP 62 22.330 19.896 -5.563 463 HB3 ASP 62 HB1 ASP 62 21.254 20.766 -4.475 464 H GLY 63 HN GLY 63 21.458 20.002 -1.546 465 HA2 GLY 63 HA2 GLY 63 22.575 21.414 0.445 466 HA3 GLY 63 HA1 GLY 63 22.068 22.691 -0.652 467 H ALA 64 HN ALA 64 19.796 20.687 -1.396 468 HA ALA 64 HA ALA 64 17.944 21.678 0.620 469 HB1 ALA 64 HB1 ALA 64 17.345 21.877 -1.750 470 HB2 ALA 64 HB2 ALA 64 16.193 20.874 -0.870 471 HB3 ALA 64 HB3 ALA 64 17.403 20.122 -1.908 472 H ALA 65 HN ALA 65 16.930 20.429 2.119 473 HA ALA 65 HA ALA 65 18.034 17.734 2.435 474 HB1 ALA 65 HB1 ALA 65 18.339 19.298 4.286 475 HB2 ALA 65 HB2 ALA 65 17.353 17.916 4.766 476 HB3 ALA 65 HB3 ALA 65 16.590 19.470 4.432 477 H PHE 66 HN PHE 66 16.867 16.113 1.712 478 HA PHE 66 HA PHE 66 13.943 16.182 2.093 479 HB2 PHE 66 HB2 PHE 66 15.540 14.556 0.095 480 HB3 PHE 66 HB1 PHE 66 13.786 14.559 0.256 481 HD1 PHE 66 HD1 PHE 66 12.519 16.642 -0.288 482 HD2 PHE 66 HD2 PHE 66 16.654 16.180 -1.177 483 HE1 PHE 66 HE1 PHE 66 12.376 18.492 -1.903 484 HE2 PHE 66 HE2 PHE 66 16.519 18.029 -2.791 485 HZ PHE 66 HZ PHE 66 14.379 19.188 -3.157 486 H HIS 67 HN HIS 67 13.540 15.144 3.944 487 HA HIS 67 HA HIS 67 15.253 13.122 5.009 488 HB2 HIS 67 HB2 HIS 67 12.461 13.936 5.853 489 HB3 HIS 67 HB1 HIS 67 13.564 12.935 6.791 490 HD1 HIS 67 HD1 HIS 67 12.990 16.503 5.741 491 HD2 HIS 67 HD2 HIS 67 15.573 14.292 8.127 492 HE1 HIS 67 HE1 HIS 67 14.283 18.177 7.129 493 H ILE 68 HN ILE 68 14.876 10.915 5.213 494 HA ILE 68 HA ILE 68 12.856 9.844 3.352 495 HB ILE 68 HB ILE 68 15.386 8.508 4.341 496 HG12 ILE 68 HG12 ILE 68 15.889 10.350 2.810 497 HG13 ILE 68 HG11 ILE 68 16.212 8.800 2.039 498 HG21 ILE 68 HG21 ILE 68 13.371 7.620 2.280 499 HG22 ILE 68 HG22 ILE 68 13.629 6.901 3.869 500 HG23 ILE 68 HG23 ILE 68 14.893 6.805 2.641 501 HD11 ILE 68 HD11 ILE 68 14.098 8.971 0.825 502 HD12 ILE 68 HD12 ILE 68 15.155 10.344 0.498 503 HD13 ILE 68 HD13 ILE 68 13.786 10.526 1.594 504 H ASN 69 HN ASN 69 11.096 9.404 4.527 505 HA ASN 69 HA ASN 69 9.713 8.555 6.123 506 HB2 ASN 69 HB2 ASN 69 12.092 6.751 6.633 507 HB3 ASN 69 HB1 ASN 69 10.546 6.565 7.450 508 HD21 ASN 69 HD21 ASN 69 11.980 4.764 5.667 509 HD22 ASN 69 HD22 ASN 69 10.881 4.393 4.382 510 H PHE 70 HN PHE 70 10.186 7.719 8.766 511 HA PHE 70 HA PHE 70 11.762 9.888 9.947 512 HB2 PHE 70 HB2 PHE 70 9.365 10.560 9.963 513 HB3 PHE 70 HB1 PHE 70 8.990 9.112 10.891 514 HD1 PHE 70 HD2 PHE 70 10.765 12.342 10.971 515 HD2 PHE 70 HD1 PHE 70 9.360 9.024 13.233 516 HE1 PHE 70 HE2 PHE 70 11.238 13.565 13.051 517 HE2 PHE 70 HE1 PHE 70 9.829 10.243 15.318 518 HZ PHE 70 HZ PHE 70 10.771 12.516 15.229 519 H GLY 71 HN GLY 71 13.380 8.480 10.531 520 HA2 GLY 71 HA2 GLY 71 12.717 6.165 12.172 521 HA3 GLY 71 HA1 GLY 71 14.324 6.633 11.628 522 H ALA 72 HN ALA 72 14.945 8.905 12.522 523 HA ALA 72 HA ALA 72 14.047 9.228 15.289 524 HB1 ALA 72 HB1 ALA 72 16.053 7.823 15.391 525 HB2 ALA 72 HB2 ALA 72 16.343 9.412 16.099 526 HB3 ALA 72 HB3 ALA 72 16.952 9.040 14.486 527 H GLY 73 HN GLY 73 14.123 11.341 16.025 528 HA2 GLY 73 HA2 GLY 73 14.645 13.353 13.955 529 HA3 GLY 73 HA1 GLY 73 13.751 13.612 15.450 530 H ILE 74 HN ILE 74 16.049 15.106 14.264 531 HA ILE 74 HA ILE 74 18.388 14.515 15.756 532 HB ILE 74 HB ILE 74 18.374 15.908 13.687 533 HG12 ILE 74 HG12 ILE 74 19.571 17.260 16.116 534 HG13 ILE 74 HG11 ILE 74 20.299 15.926 15.227 535 HG21 ILE 74 HG21 ILE 74 17.208 18.017 15.497 536 HG22 ILE 74 HG22 ILE 74 16.409 17.254 14.123 537 HG23 ILE 74 HG23 ILE 74 17.810 18.292 13.862 538 HD11 ILE 74 HD11 ILE 74 19.731 18.668 14.123 539 HD12 ILE 74 HD12 ILE 74 20.489 17.334 13.252 540 HD13 ILE 74 HD13 ILE 74 21.305 18.061 14.636 541 H ASP 75 HN ASP 75 15.485 16.250 16.442 542 HA ASP 75 HA ASP 75 16.235 17.797 18.640 543 HB2 ASP 75 HB2 ASP 75 13.631 16.419 17.974 544 HB3 ASP 75 HB1 ASP 75 13.816 17.529 19.327 545 H ASP 76 HN ASP 76 15.531 14.392 18.356 546 HA ASP 76 HA ASP 76 15.173 13.867 21.126 547 HB2 ASP 76 HB2 ASP 76 14.321 12.386 19.333 548 HB3 ASP 76 HB1 ASP 76 15.977 11.971 18.907 549 H LEU 77 HN LEU 77 17.917 13.946 18.976 550 HA LEU 77 HA LEU 77 19.757 12.714 20.795 551 HB2 LEU 77 HB2 LEU 77 20.301 14.431 18.369 552 HB3 LEU 77 HB1 LEU 77 21.469 13.418 19.195 553 HG LEU 77 HG LEU 77 19.026 12.408 17.732 554 HD11 LEU 77 HD11 LEU 77 20.628 11.580 16.080 555 HD12 LEU 77 HD12 LEU 77 21.941 12.360 16.961 556 HD13 LEU 77 HD13 LEU 77 20.682 13.339 16.207 557 HD21 LEU 77 HD21 LEU 77 19.687 10.973 19.594 558 HD22 LEU 77 HD22 LEU 77 21.341 10.932 18.983 559 HD23 LEU 77 HD23 LEU 77 20.036 10.206 18.045 560 H LYS 78 HN LYS 78 18.488 15.861 20.341 561 HA LYS 78 HA LYS 78 20.700 17.317 21.429 562 HB2 LYS 78 HB2 LYS 78 17.837 18.123 20.898 563 HB3 LYS 78 HB1 LYS 78 19.093 19.229 21.436 564 HG2 LYS 78 HG2 LYS 78 20.346 18.863 19.413 565 HG3 LYS 78 HG1 LYS 78 19.190 17.641 18.883 566 HD2 LYS 78 HD2 LYS 78 17.438 19.321 18.760 567 HD3 LYS 78 HD1 LYS 78 18.553 20.552 19.359 568 HE2 LYS 78 HE2 LYS 78 19.960 20.236 17.389 569 HE3 LYS 78 HE1 LYS 78 18.855 18.999 16.793 570 HZ1 LYS 78 HZ1 LYS 78 17.154 20.610 16.502 571 HZ2 LYS 78 HZ2 LYS 78 18.561 21.244 15.793 572 HZ3 LYS 78 HZ3 LYS 78 18.045 21.807 17.309 573 H GLY 79 HN GLY 79 21.175 16.549 23.436 574 HA2 GLY 79 HA2 GLY 79 21.126 16.835 25.724 575 HA3 GLY 79 HA1 GLY 79 19.590 17.671 25.553 576 H SER 80 HN SER 80 19.407 16.327 27.608 577 HA SER 80 HA SER 80 17.672 14.106 26.996 578 HB2 SER 80 HB2 SER 80 20.033 13.683 28.854 579 HB3 SER 80 HB1 SER 80 18.790 12.500 28.446 580 HG SER 80 HG SER 80 19.804 13.366 26.168 581 H1 VAL 1 HT1 VAL 1 16.308 -6.566 -14.009 582 H2 VAL 1 HT2 VAL 1 15.420 -5.243 -14.567 583 H3 VAL 1 HT3 VAL 1 15.168 -5.831 -12.998 584 HA VAL 1 HA VAL 1 17.389 -5.192 -12.355 585 HB VAL 1 HB VAL 1 17.582 -4.010 -15.134 586 HG11 VAL 1 HG11 VAL 1 18.689 -2.642 -13.445 587 HG12 VAL 1 HG12 VAL 1 19.871 -3.428 -14.492 588 HG13 VAL 1 HG13 VAL 1 19.576 -4.054 -12.871 589 HG21 VAL 1 HG21 VAL 1 17.843 -6.433 -15.177 590 HG22 VAL 1 HG22 VAL 1 19.064 -6.335 -13.909 591 HG23 VAL 1 HG23 VAL 1 19.381 -5.630 -15.495 592 H ALA 2 HN ALA 2 15.607 -3.137 -14.675 593 HA ALA 2 HA ALA 2 15.657 -0.930 -12.802 594 HB1 ALA 2 HB1 ALA 2 14.345 -1.133 -15.511 595 HB2 ALA 2 HB2 ALA 2 15.969 -0.519 -15.196 596 HB3 ALA 2 HB3 ALA 2 14.563 0.340 -14.566 597 H SER 3 HN SER 3 14.457 -1.865 -11.104 598 HA SER 3 HA SER 3 11.855 -2.881 -11.322 599 HB2 SER 3 HB2 SER 3 13.080 -1.468 -8.943 600 HB3 SER 3 HB1 SER 3 11.759 -2.639 -8.917 601 HG SER 3 HG SER 3 13.137 -4.250 -9.319 602 H LYS 4 HN LYS 4 9.845 -1.913 -10.644 603 HA LYS 4 HA LYS 4 9.490 0.686 -11.783 604 HB2 LYS 4 HB2 LYS 4 7.776 -1.009 -12.067 605 HB3 LYS 4 HB1 LYS 4 7.564 -1.130 -10.327 606 HG2 LYS 4 HG2 LYS 4 6.737 1.162 -10.255 607 HG3 LYS 4 HG1 LYS 4 6.972 1.305 -11.998 608 HD2 LYS 4 HD2 LYS 4 4.641 0.852 -11.493 609 HD3 LYS 4 HD1 LYS 4 5.357 -0.514 -12.350 610 HE2 LYS 4 HE2 LYS 4 5.639 -1.701 -10.237 611 HE3 LYS 4 HE1 LYS 4 4.960 -0.328 -9.366 612 HZ1 LYS 4 HZ1 LYS 4 2.891 -0.648 -10.632 613 HZ2 LYS 4 HZ2 LYS 4 3.279 -1.990 -9.669 614 HZ3 LYS 4 HZ3 LYS 4 3.553 -2.039 -11.344 615 H ALA 5 HN ALA 5 9.863 2.514 -10.778 616 HA ALA 5 HA ALA 5 9.538 2.649 -7.854 617 HB1 ALA 5 HB1 ALA 5 11.129 4.458 -9.676 618 HB2 ALA 5 HB2 ALA 5 11.796 3.169 -8.672 619 HB3 ALA 5 HB3 ALA 5 11.038 4.571 -7.918 620 H ILE 6 HN ILE 6 7.565 3.398 -7.370 621 HA ILE 6 HA ILE 6 6.229 5.200 -9.252 622 HB ILE 6 HB ILE 6 5.039 3.877 -6.811 623 HG12 ILE 6 HG12 ILE 6 4.941 2.959 -9.696 624 HG13 ILE 6 HG11 ILE 6 5.884 2.192 -8.422 625 HG21 ILE 6 HG21 ILE 6 2.909 4.348 -7.936 626 HG22 ILE 6 HG22 ILE 6 3.783 5.146 -9.243 627 HG23 ILE 6 HG23 ILE 6 3.819 5.823 -7.615 628 HD11 ILE 6 HD11 ILE 6 2.885 2.435 -8.477 629 HD12 ILE 6 HD12 ILE 6 3.841 1.633 -7.230 630 HD13 ILE 6 HD13 ILE 6 3.813 0.990 -8.872 631 H PHE 7 HN PHE 7 6.377 7.301 -8.903 632 HA PHE 7 HA PHE 7 6.905 8.279 -6.201 633 HB2 PHE 7 HB2 PHE 7 8.342 9.083 -8.046 634 HB3 PHE 7 HB1 PHE 7 6.928 9.757 -8.846 635 HD1 PHE 7 HD1 PHE 7 8.477 9.878 -5.447 636 HD2 PHE 7 HD2 PHE 7 6.688 12.021 -8.659 637 HE1 PHE 7 HE1 PHE 7 8.800 11.986 -4.218 638 HE2 PHE 7 HE2 PHE 7 7.007 14.130 -7.435 639 HZ PHE 7 HZ PHE 7 8.063 14.115 -5.212 640 H TYR 8 HN TYR 8 5.080 8.439 -5.069 641 HA TYR 8 HA TYR 8 2.662 9.502 -6.336 642 HB2 TYR 8 HB2 TYR 8 3.212 7.826 -3.950 643 HB3 TYR 8 HB1 TYR 8 1.870 8.955 -3.812 644 HD1 TYR 8 HD1 TYR 8 0.069 8.862 -5.637 645 HD2 TYR 8 HD2 TYR 8 2.905 5.755 -4.999 646 HE1 TYR 8 HE1 TYR 8 -1.409 7.284 -6.806 647 HE2 TYR 8 HE2 TYR 8 1.434 4.168 -6.169 648 HH TYR 8 HH TYR 8 -0.858 3.886 -6.782 649 H HIS 9 HN HIS 9 2.458 11.647 -6.276 650 HA HIS 9 HA HIS 9 3.000 12.972 -3.713 651 HB2 HIS 9 HB2 HIS 9 3.977 14.909 -4.828 652 HB3 HIS 9 HB1 HIS 9 4.903 13.460 -5.191 653 HD2 HIS 9 HD2 HIS 9 3.985 12.347 -7.850 654 HE1 HIS 9 HE1 HIS 9 3.575 16.319 -9.248 655 HE2 HIS 9 HE2 HIS 9 4.032 13.919 -9.912 656 H ALA 10 HN ALA 10 1.778 14.922 -3.367 657 HA ALA 10 HA ALA 10 -0.377 15.581 -5.132 658 HB1 ALA 10 HB1 ALA 10 -2.205 14.901 -3.677 659 HB2 ALA 10 HB2 ALA 10 -1.058 14.180 -2.548 660 HB3 ALA 10 HB3 ALA 10 -1.246 13.504 -4.166 661 H GLY 11 HN GLY 11 0.929 17.562 -4.697 662 HA2 GLY 11 HA2 GLY 11 -0.659 19.218 -3.030 663 HA3 GLY 11 HA1 GLY 11 0.945 18.974 -2.343 664 H CYS 12 HN CYS 12 2.576 20.093 -3.093 665 HA CYS 12 HA CYS 12 2.866 21.162 -5.663 666 HB2 CYS 12 HB2 CYS 12 1.608 23.006 -3.668 667 HB3 CYS 12 HB1 CYS 12 2.769 23.662 -4.813 668 HG CYS 12 HG CYS 12 0.133 21.834 -5.944 669 HA PRO 13 HA PRO 13 6.152 23.468 -3.029 670 HB2 PRO 13 HB2 PRO 13 5.906 22.375 -0.301 671 HB3 PRO 13 HB1 PRO 13 6.080 24.050 -0.831 672 HG2 PRO 13 HG2 PRO 13 3.759 23.128 0.130 673 HG3 PRO 13 HG1 PRO 13 3.812 24.312 -1.191 674 HD2 PRO 13 HD2 PRO 13 3.338 21.357 -1.309 675 HD3 PRO 13 HD1 PRO 13 2.527 22.663 -2.191 676 H VAL 14 HN VAL 14 5.780 20.462 -1.129 677 HA VAL 14 HA VAL 14 8.559 19.880 -1.371 678 HB VAL 14 HB VAL 14 8.237 18.322 0.223 679 HG11 VAL 14 HG11 VAL 14 6.239 18.607 1.592 680 HG12 VAL 14 HG12 VAL 14 5.456 19.475 0.274 681 HG13 VAL 14 HG13 VAL 14 6.883 20.160 1.056 682 HG21 VAL 14 HG21 VAL 14 6.504 16.606 0.235 683 HG22 VAL 14 HG22 VAL 14 7.338 16.669 -1.318 684 HG23 VAL 14 HG23 VAL 14 5.730 17.374 -1.150 685 H CYS 15 HN CYS 15 5.793 19.192 -3.268 686 HA CYS 15 HA CYS 15 6.551 16.694 -4.348 687 HB2 CYS 15 HB2 CYS 15 4.713 18.759 -5.570 688 HB3 CYS 15 HB1 CYS 15 4.733 17.028 -5.902 689 HG CYS 15 HG CYS 15 4.322 17.017 -2.783 690 H VAL 16 HN VAL 16 6.736 19.993 -5.690 691 HA VAL 16 HA VAL 16 7.822 19.275 -8.165 692 HB VAL 16 HB VAL 16 8.201 21.868 -6.654 693 HG11 VAL 16 HG11 VAL 16 8.597 22.855 -8.872 694 HG12 VAL 16 HG12 VAL 16 8.543 21.243 -9.586 695 HG13 VAL 16 HG13 VAL 16 9.824 21.659 -8.447 696 HG21 VAL 16 HG21 VAL 16 6.131 21.060 -8.695 697 HG22 VAL 16 HG22 VAL 16 6.321 22.675 -8.009 698 HG23 VAL 16 HG23 VAL 16 5.852 21.326 -6.974 699 H SER 17 HN SER 17 9.482 20.412 -5.224 700 HA SER 17 HA SER 17 12.069 20.250 -6.315 701 HB2 SER 17 HB2 SER 17 11.145 20.240 -3.437 702 HB3 SER 17 HB1 SER 17 12.826 20.430 -3.948 703 HG SER 17 HG SER 17 12.091 22.269 -5.198 704 H ALA 18 HN ALA 18 10.134 17.881 -4.514 705 HA ALA 18 HA ALA 18 12.193 15.990 -4.140 706 HB1 ALA 18 HB1 ALA 18 9.239 15.470 -4.456 707 HB2 ALA 18 HB2 ALA 18 10.048 15.893 -2.948 708 HB3 ALA 18 HB3 ALA 18 10.425 14.371 -3.753 709 H GLU 19 HN GLU 19 9.908 16.518 -6.778 710 HA GLU 19 HA GLU 19 10.694 14.252 -8.300 711 HB2 GLU 19 HB2 GLU 19 8.537 15.506 -8.556 712 HB3 GLU 19 HB1 GLU 19 9.442 16.817 -9.300 713 HG2 GLU 19 HG2 GLU 19 10.208 15.191 -11.035 714 HG3 GLU 19 HG1 GLU 19 9.086 14.020 -10.341 715 H GLN 20 HN GLN 20 11.715 17.636 -8.232 716 HA GLN 20 HA GLN 20 13.382 17.402 -10.553 717 HB2 GLN 20 HB2 GLN 20 13.249 19.550 -8.436 718 HB3 GLN 20 HB1 GLN 20 14.186 19.662 -9.918 719 HG2 GLN 20 HG2 GLN 20 12.100 19.465 -11.214 720 HG3 GLN 20 HG1 GLN 20 11.193 19.449 -9.702 721 HE21 GLN 20 HE21 GLN 20 11.055 21.337 -11.893 722 HE22 GLN 20 HE22 GLN 20 11.440 22.894 -11.225 723 H ALA 21 HN ALA 21 13.810 16.474 -7.327 724 HA ALA 21 HA ALA 21 16.737 16.570 -7.654 725 HB1 ALA 21 HB1 ALA 21 15.940 17.969 -5.812 726 HB2 ALA 21 HB2 ALA 21 16.938 16.634 -5.236 727 HB3 ALA 21 HB3 ALA 21 15.183 16.559 -5.073 728 H VAL 22 HN VAL 22 14.398 14.705 -5.701 729 HA VAL 22 HA VAL 22 16.128 12.467 -5.513 730 HB VAL 22 HB VAL 22 13.145 12.520 -5.028 731 HG11 VAL 22 HG11 VAL 22 14.092 10.271 -5.175 732 HG12 VAL 22 HG12 VAL 22 13.587 10.643 -3.527 733 HG13 VAL 22 HG13 VAL 22 15.296 10.694 -3.959 734 HG21 VAL 22 HG21 VAL 22 14.242 14.273 -3.744 735 HG22 VAL 22 HG22 VAL 22 15.410 13.107 -3.122 736 HG23 VAL 22 HG23 VAL 22 13.707 12.969 -2.684 737 H ALA 23 HN ALA 23 13.225 13.109 -7.460 738 HA ALA 23 HA ALA 23 13.373 10.567 -8.798 739 HB1 ALA 23 HB1 ALA 23 11.226 11.700 -8.421 740 HB2 ALA 23 HB2 ALA 23 11.509 11.366 -10.129 741 HB3 ALA 23 HB3 ALA 23 11.733 12.999 -9.501 742 H ASN 24 HN ASN 24 15.195 13.292 -9.041 743 HA ASN 24 HA ASN 24 15.714 12.993 -11.904 744 HB2 ASN 24 HB2 ASN 24 15.541 15.284 -11.001 745 HB3 ASN 24 HB1 ASN 24 16.872 14.949 -9.899 746 HD21 ASN 24 HD21 ASN 24 15.955 15.558 -13.192 747 HD22 ASN 24 HD22 ASN 24 17.549 15.865 -13.788 748 H ALA 25 HN ALA 25 17.106 12.448 -8.748 749 HA ALA 25 HA ALA 25 19.654 11.552 -9.662 750 HB1 ALA 25 HB1 ALA 25 18.228 10.990 -7.062 751 HB2 ALA 25 HB2 ALA 25 19.315 12.343 -7.374 752 HB3 ALA 25 HB3 ALA 25 19.935 10.692 -7.389 753 H ILE 26 HN ILE 26 16.584 10.001 -8.890 754 HA ILE 26 HA ILE 26 17.612 7.423 -9.804 755 HB ILE 26 HB ILE 26 14.827 8.087 -8.822 756 HG12 ILE 26 HG12 ILE 26 17.149 6.871 -7.306 757 HG13 ILE 26 HG11 ILE 26 16.537 8.506 -7.084 758 HG21 ILE 26 HG21 ILE 26 16.240 5.448 -9.199 759 HG22 ILE 26 HG22 ILE 26 14.930 6.081 -10.195 760 HG23 ILE 26 HG23 ILE 26 14.630 5.660 -8.509 761 HD11 ILE 26 HD11 ILE 26 15.022 5.963 -6.547 762 HD12 ILE 26 HD12 ILE 26 14.400 7.599 -6.328 763 HD13 ILE 26 HD13 ILE 26 15.743 7.025 -5.337 764 H ASP 27 HN ASP 27 17.930 7.927 -11.983 765 HA ASP 27 HA ASP 27 15.614 8.840 -13.516 766 HB2 ASP 27 HB2 ASP 27 17.140 9.505 -15.216 767 HB3 ASP 27 HB1 ASP 27 17.909 9.941 -13.702 768 HA PRO 28 HA PRO 28 14.462 5.085 -15.454 769 HB2 PRO 28 HB2 PRO 28 14.943 5.562 -18.166 770 HB3 PRO 28 HB1 PRO 28 13.468 5.950 -17.278 771 HG2 PRO 28 HG2 PRO 28 15.783 7.699 -17.971 772 HG3 PRO 28 HG1 PRO 28 14.051 8.084 -17.934 773 HD2 PRO 28 HD2 PRO 28 15.656 8.897 -15.985 774 HD3 PRO 28 HD1 PRO 28 14.026 8.307 -15.617 775 H SER 29 HN SER 29 17.734 6.121 -16.010 776 HA SER 29 HA SER 29 18.504 3.665 -17.334 777 HB2 SER 29 HB2 SER 29 20.388 5.626 -16.030 778 HB3 SER 29 HB1 SER 29 20.694 4.559 -17.402 779 HG SER 29 HG SER 29 19.301 6.987 -17.278 780 H LYS 30 HN LYS 30 17.695 4.464 -14.232 781 HA LYS 30 HA LYS 30 19.341 2.294 -13.111 782 HB2 LYS 30 HB2 LYS 30 18.018 4.618 -11.695 783 HB3 LYS 30 HB1 LYS 30 18.893 3.320 -10.894 784 HG2 LYS 30 HG2 LYS 30 20.056 5.298 -12.847 785 HG3 LYS 30 HG1 LYS 30 20.267 5.312 -11.094 786 HD2 LYS 30 HD2 LYS 30 21.423 3.186 -11.184 787 HD3 LYS 30 HD1 LYS 30 21.131 3.072 -12.922 788 HE2 LYS 30 HE2 LYS 30 22.456 5.140 -13.232 789 HE3 LYS 30 HE1 LYS 30 22.815 5.134 -11.505 790 HZ1 LYS 30 HZ1 LYS 30 23.506 2.920 -13.362 791 HZ2 LYS 30 HZ2 LYS 30 23.977 3.074 -11.740 792 HZ3 LYS 30 HZ3 LYS 30 24.584 4.145 -12.901 793 H TYR 31 HN TYR 31 16.114 3.785 -12.954 794 HA TYR 31 HA TYR 31 14.965 1.121 -12.552 795 HB2 TYR 31 HB2 TYR 31 14.513 3.510 -10.762 796 HB3 TYR 31 HB1 TYR 31 13.385 2.162 -10.835 797 HD1 TYR 31 HD1 TYR 31 13.976 -0.006 -9.918 798 HD2 TYR 31 HD2 TYR 31 16.696 3.256 -9.710 799 HE1 TYR 31 HE1 TYR 31 15.302 -1.227 -8.248 800 HE2 TYR 31 HE2 TYR 31 18.029 2.042 -8.038 801 HH TYR 31 HH TYR 31 17.769 0.260 -6.413 802 H THR 32 HN THR 32 12.521 1.217 -12.750 803 HA THR 32 HA THR 32 11.828 2.911 -15.017 804 HB THR 32 HB THR 32 10.150 0.776 -13.670 805 HG1 THR 32 HG1 THR 32 11.684 -0.457 -14.538 806 HG21 THR 32 HG21 THR 32 8.880 2.378 -15.041 807 HG22 THR 32 HG22 THR 32 8.896 0.772 -15.769 808 HG23 THR 32 HG23 THR 32 9.941 2.040 -16.408 809 H VAL 33 HN VAL 33 11.392 4.933 -14.333 810 HA VAL 33 HA VAL 33 10.178 5.417 -11.766 811 HB VAL 33 HB VAL 33 10.851 7.433 -13.914 812 HG11 VAL 33 HG11 VAL 33 10.935 9.017 -12.043 813 HG12 VAL 33 HG12 VAL 33 10.438 7.734 -10.940 814 HG13 VAL 33 HG13 VAL 33 9.340 8.283 -12.207 815 HG21 VAL 33 HG21 VAL 33 12.957 7.776 -12.708 816 HG22 VAL 33 HG22 VAL 33 12.829 6.135 -13.342 817 HG23 VAL 33 HG23 VAL 33 12.552 6.441 -11.628 818 H GLU 34 HN GLU 34 8.085 5.334 -11.457 819 HA GLU 34 HA GLU 34 6.279 6.240 -13.600 820 HB2 GLU 34 HB2 GLU 34 5.897 4.144 -11.462 821 HB3 GLU 34 HB1 GLU 34 4.553 4.823 -12.368 822 HG2 GLU 34 HG2 GLU 34 6.906 3.537 -13.713 823 HG3 GLU 34 HG1 GLU 34 5.501 2.616 -13.177 824 H ILE 35 HN ILE 35 5.996 8.348 -13.081 825 HA ILE 35 HA ILE 35 5.563 9.110 -10.304 826 HB ILE 35 HB ILE 35 5.707 10.820 -12.794 827 HG12 ILE 35 HG12 ILE 35 7.732 10.352 -10.591 828 HG13 ILE 35 HG11 ILE 35 7.827 9.689 -12.218 829 HG21 ILE 35 HG21 ILE 35 4.356 11.869 -11.056 830 HG22 ILE 35 HG22 ILE 35 5.893 12.713 -11.251 831 HG23 ILE 35 HG23 ILE 35 5.653 11.621 -9.886 832 HD11 ILE 35 HD11 ILE 35 9.288 11.607 -11.951 833 HD12 ILE 35 HD12 ILE 35 7.910 12.609 -11.497 834 HD13 ILE 35 HD13 ILE 35 8.017 11.942 -13.126 835 H VAL 36 HN VAL 36 3.609 9.238 -9.439 836 HA VAL 36 HA VAL 36 1.301 9.672 -11.222 837 HB VAL 36 HB VAL 36 1.300 7.885 -8.778 838 HG11 VAL 36 HG11 VAL 36 -0.930 7.220 -9.542 839 HG12 VAL 36 HG12 VAL 36 -0.816 8.367 -10.877 840 HG13 VAL 36 HG13 VAL 36 -0.853 8.952 -9.214 841 HG21 VAL 36 HG21 VAL 36 1.072 6.013 -10.342 842 HG22 VAL 36 HG22 VAL 36 2.599 6.866 -10.573 843 HG23 VAL 36 HG23 VAL 36 1.265 7.124 -11.698 844 H HIS 37 HN HIS 37 0.292 11.495 -10.740 845 HA HIS 37 HA HIS 37 0.685 12.797 -8.187 846 HB2 HIS 37 HB2 HIS 37 0.438 13.939 -10.500 847 HB3 HIS 37 HB1 HIS 37 -1.287 13.652 -10.303 848 HD2 HIS 37 HD2 HIS 37 1.383 16.157 -9.316 849 HE1 HIS 37 HE1 HIS 37 -2.051 17.023 -7.007 850 HE2 HIS 37 HE2 HIS 37 0.129 17.945 -7.920 851 H LEU 38 HN LEU 38 -0.513 12.351 -6.457 852 HA LEU 38 HA LEU 38 -2.829 10.629 -6.760 853 HB2 LEU 38 HB2 LEU 38 -1.060 10.193 -5.064 854 HB3 LEU 38 HB1 LEU 38 -1.524 11.670 -4.242 855 HG LEU 38 HG LEU 38 -3.758 10.719 -3.805 856 HD11 LEU 38 HD11 LEU 38 -3.897 9.227 -5.727 857 HD12 LEU 38 HD12 LEU 38 -4.172 8.353 -4.221 858 HD13 LEU 38 HD13 LEU 38 -2.619 8.220 -5.046 859 HD21 LEU 38 HD21 LEU 38 -1.999 10.469 -2.135 860 HD22 LEU 38 HD22 LEU 38 -1.471 8.972 -2.903 861 HD23 LEU 38 HD23 LEU 38 -3.062 9.061 -2.147 862 H GLY 39 HN GLY 39 -2.263 13.928 -6.560 863 HA2 GLY 39 HA2 GLY 39 -4.731 14.528 -5.103 864 HA3 GLY 39 HA1 GLY 39 -3.499 15.690 -5.579 865 H THR 40 HN THR 40 -5.428 13.286 -7.324 866 HA THR 40 HA THR 40 -6.764 15.381 -8.828 867 HB THR 40 HB THR 40 -5.150 13.249 -10.254 868 HG1 THR 40 HG1 THR 40 -4.369 15.588 -9.257 869 HG21 THR 40 HG21 THR 40 -7.196 13.891 -11.440 870 HG22 THR 40 HG22 THR 40 -5.762 14.471 -12.285 871 HG23 THR 40 HG23 THR 40 -6.732 15.589 -11.325 872 H ASP 41 HN ASP 41 -6.168 11.861 -8.742 873 HA ASP 41 HA ASP 41 -9.063 11.438 -9.044 874 HB2 ASP 41 HB2 ASP 41 -7.460 10.336 -10.675 875 HB3 ASP 41 HB1 ASP 41 -6.878 9.367 -9.324 876 H LYS 42 HN LYS 42 -10.151 10.972 -7.264 877 HA LYS 42 HA LYS 42 -8.778 10.556 -4.786 878 HB2 LYS 42 HB2 LYS 42 -10.822 11.928 -4.985 879 HB3 LYS 42 HB1 LYS 42 -11.739 10.489 -5.397 880 HG2 LYS 42 HG2 LYS 42 -11.354 9.564 -3.201 881 HG3 LYS 42 HG1 LYS 42 -10.308 10.924 -2.780 882 HD2 LYS 42 HD2 LYS 42 -12.159 12.458 -2.968 883 HD3 LYS 42 HD1 LYS 42 -13.218 11.169 -3.532 884 HE2 LYS 42 HE2 LYS 42 -13.661 11.641 -1.202 885 HE3 LYS 42 HE1 LYS 42 -12.953 10.035 -1.363 886 HZ1 LYS 42 HZ1 LYS 42 -11.405 12.469 -0.647 887 HZ2 LYS 42 HZ2 LYS 42 -10.857 10.861 -0.627 888 HZ3 LYS 42 HZ3 LYS 42 -12.026 11.370 0.484 889 H ALA 43 HN ALA 43 -9.986 8.449 -7.189 890 HA ALA 43 HA ALA 43 -10.638 6.267 -5.412 891 HB1 ALA 43 HB1 ALA 43 -10.310 6.278 -8.412 892 HB2 ALA 43 HB2 ALA 43 -11.822 6.524 -7.537 893 HB3 ALA 43 HB3 ALA 43 -10.993 4.969 -7.447 894 H ARG 44 HN ARG 44 -7.816 7.505 -6.883 895 HA ARG 44 HA ARG 44 -6.236 5.167 -7.067 896 HB2 ARG 44 HB2 ARG 44 -5.534 8.069 -6.638 897 HB3 ARG 44 HB1 ARG 44 -4.310 6.820 -6.767 898 HG2 ARG 44 HG2 ARG 44 -6.339 7.101 -8.932 899 HG3 ARG 44 HG1 ARG 44 -4.996 8.240 -8.840 900 HD2 ARG 44 HD2 ARG 44 -4.171 6.592 -10.244 901 HD3 ARG 44 HD1 ARG 44 -3.517 6.127 -8.676 902 HE ARG 44 HE ARG 44 -5.981 4.892 -9.701 903 HH11 ARG 44 HH11 ARG 44 -2.667 4.599 -8.583 904 HH12 ARG 44 HH12 ARG 44 -2.697 2.856 -8.563 905 HH21 ARG 44 HH21 ARG 44 -6.020 2.615 -9.671 906 HH22 ARG 44 HH22 ARG 44 -4.611 1.731 -9.158 907 H ILE 45 HN ILE 45 -7.444 6.875 -4.383 908 HA ILE 45 HA ILE 45 -5.336 6.664 -2.548 909 HB ILE 45 HB ILE 45 -7.454 8.098 -2.407 910 HG12 ILE 45 HG12 ILE 45 -6.676 6.618 0.108 911 HG13 ILE 45 HG11 ILE 45 -5.698 7.884 -0.632 912 HG21 ILE 45 HG21 ILE 45 -9.307 7.153 -1.102 913 HG22 ILE 45 HG22 ILE 45 -8.537 5.568 -1.176 914 HG23 ILE 45 HG23 ILE 45 -9.107 6.341 -2.654 915 HD11 ILE 45 HD11 ILE 45 -6.997 8.768 1.206 916 HD12 ILE 45 HD12 ILE 45 -8.487 8.199 0.456 917 HD13 ILE 45 HD13 ILE 45 -7.541 9.469 -0.319 918 H ALA 46 HN ALA 46 -7.830 4.367 -3.465 919 HA ALA 46 HA ALA 46 -7.582 2.660 -1.217 920 HB1 ALA 46 HB1 ALA 46 -8.567 2.007 -3.992 921 HB2 ALA 46 HB2 ALA 46 -9.550 2.644 -2.674 922 HB3 ALA 46 HB3 ALA 46 -8.830 1.038 -2.541 923 H GLU 47 HN GLU 47 -6.037 2.738 -4.382 924 HA GLU 47 HA GLU 47 -4.616 0.280 -3.968 925 HB2 GLU 47 HB2 GLU 47 -5.265 1.207 -6.217 926 HB3 GLU 47 HB1 GLU 47 -4.034 2.442 -5.994 927 HG2 GLU 47 HG2 GLU 47 -2.314 0.720 -5.879 928 HG3 GLU 47 HG1 GLU 47 -3.545 -0.527 -6.083 929 H ALA 48 HN ALA 48 -4.032 3.687 -3.470 930 HA ALA 48 HA ALA 48 -1.263 3.603 -3.009 931 HB1 ALA 48 HB1 ALA 48 -1.568 5.709 -1.821 932 HB2 ALA 48 HB2 ALA 48 -3.311 5.440 -1.768 933 HB3 ALA 48 HB3 ALA 48 -2.504 5.691 -3.316 934 H GLU 49 HN GLU 49 -4.027 3.155 -0.825 935 HA GLU 49 HA GLU 49 -2.571 2.792 1.540 936 HB2 GLU 49 HB2 GLU 49 -5.255 1.738 0.673 937 HB3 GLU 49 HB1 GLU 49 -4.588 1.408 2.265 938 HG2 GLU 49 HG2 GLU 49 -4.356 3.970 2.445 939 HG3 GLU 49 HG1 GLU 49 -5.499 4.004 1.103 940 H LYS 50 HN LYS 50 -3.499 0.494 -0.976 941 HA LYS 50 HA LYS 50 -2.552 -1.825 0.343 942 HB2 LYS 50 HB2 LYS 50 -2.892 -1.254 -2.606 943 HB3 LYS 50 HB1 LYS 50 -2.540 -2.840 -1.936 944 HG2 LYS 50 HG2 LYS 50 -4.656 -2.770 -0.694 945 HG3 LYS 50 HG1 LYS 50 -5.012 -1.198 -1.417 946 HD2 LYS 50 HD2 LYS 50 -4.979 -2.200 -3.639 947 HD3 LYS 50 HD1 LYS 50 -4.582 -3.770 -2.936 948 HE2 LYS 50 HE2 LYS 50 -6.710 -3.741 -1.711 949 HE3 LYS 50 HE1 LYS 50 -7.106 -2.191 -2.452 950 HZ1 LYS 50 HZ1 LYS 50 -8.183 -3.983 -3.623 951 HZ2 LYS 50 HZ2 LYS 50 -6.701 -4.762 -3.881 952 HZ3 LYS 50 HZ3 LYS 50 -7.016 -3.273 -4.631 953 H ALA 51 HN ALA 51 -1.054 0.400 -1.971 954 HA ALA 51 HA ALA 51 1.377 -0.981 -2.271 955 HB1 ALA 51 HB1 ALA 51 2.252 1.099 -3.178 956 HB2 ALA 51 HB2 ALA 51 0.871 1.981 -2.525 957 HB3 ALA 51 HB3 ALA 51 0.630 0.785 -3.797 958 H GLY 52 HN GLY 52 0.196 1.095 0.244 959 HA2 GLY 52 HA2 GLY 52 1.181 0.909 2.436 960 HA3 GLY 52 HA1 GLY 52 2.747 0.705 1.664 961 H VAL 53 HN VAL 53 0.691 3.094 0.335 962 HA VAL 53 HA VAL 53 2.529 5.167 1.165 963 HB VAL 53 HB VAL 53 0.020 5.421 -0.509 964 HG11 VAL 53 HG11 VAL 53 1.035 7.509 -1.301 965 HG12 VAL 53 HG12 VAL 53 2.377 7.276 -0.180 966 HG13 VAL 53 HG13 VAL 53 0.746 7.539 0.438 967 HG21 VAL 53 HG21 VAL 53 1.515 5.389 -2.451 968 HG22 VAL 53 HG22 VAL 53 1.581 3.874 -1.549 969 HG23 VAL 53 HG23 VAL 53 2.882 5.053 -1.387 970 H LYS 54 HN LYS 54 2.154 5.290 3.393 971 HA LYS 54 HA LYS 54 -0.501 5.915 4.362 972 HB2 LYS 54 HB2 LYS 54 1.017 4.529 5.712 973 HB3 LYS 54 HB1 LYS 54 2.160 5.862 5.802 974 HG2 LYS 54 HG2 LYS 54 0.639 7.165 7.104 975 HG3 LYS 54 HG1 LYS 54 -0.647 5.977 6.878 976 HD2 LYS 54 HD2 LYS 54 0.700 4.321 8.098 977 HD3 LYS 54 HD1 LYS 54 1.951 5.541 8.349 978 HE2 LYS 54 HE2 LYS 54 0.408 6.896 9.636 979 HE3 LYS 54 HE1 LYS 54 -0.898 5.753 9.320 980 HZ1 LYS 54 HZ1 LYS 54 0.326 4.067 10.535 981 HZ2 LYS 54 HZ2 LYS 54 0.063 5.425 11.516 982 HZ3 LYS 54 HZ3 LYS 54 1.592 5.157 10.829 983 H SER 55 HN SER 55 2.482 7.548 3.621 984 HA SER 55 HA SER 55 1.071 10.102 3.983 985 HB2 SER 55 HB2 SER 55 4.059 9.651 4.230 986 HB3 SER 55 HB1 SER 55 3.190 11.158 4.526 987 HG SER 55 HG SER 55 2.355 8.932 5.959 988 H VAL 56 HN VAL 56 1.132 11.493 2.253 989 HA VAL 56 HA VAL 56 1.974 10.321 -0.245 990 HB VAL 56 HB VAL 56 0.918 13.115 -0.141 991 HG11 VAL 56 HG11 VAL 56 1.480 12.084 -2.285 992 HG12 VAL 56 HG12 VAL 56 -0.256 12.367 -2.165 993 HG13 VAL 56 HG13 VAL 56 0.391 10.742 -1.936 994 HG21 VAL 56 HG21 VAL 56 -0.774 10.659 0.331 995 HG22 VAL 56 HG22 VAL 56 -1.387 12.282 0.014 996 HG23 VAL 56 HG23 VAL 56 -0.477 11.956 1.489 997 HA PRO 57 HA PRO 57 4.686 12.660 -2.614 998 HB2 PRO 57 HB2 PRO 57 5.663 14.378 -0.355 999 HB3 PRO 57 HB1 PRO 57 5.926 14.571 -2.095 1000 HG2 PRO 57 HG2 PRO 57 3.870 15.781 -0.695 1001 HG3 PRO 57 HG1 PRO 57 3.848 15.463 -2.437 1002 HD2 PRO 57 HD2 PRO 57 2.139 14.331 -0.468 1003 HD3 PRO 57 HD1 PRO 57 2.256 13.853 -2.177 1004 H ALA 58 HN ALA 58 5.161 10.489 -2.369 1005 HA ALA 58 HA ALA 58 7.590 9.951 -0.837 1006 HB1 ALA 58 HB1 ALA 58 6.713 7.845 0.026 1007 HB2 ALA 58 HB2 ALA 58 5.146 8.180 -0.713 1008 HB3 ALA 58 HB3 ALA 58 5.740 9.201 0.597 1009 H LEU 59 HN LEU 59 8.667 7.950 -1.601 1010 HA LEU 59 HA LEU 59 7.983 7.428 -4.423 1011 HB2 LEU 59 HB2 LEU 59 10.194 8.697 -3.642 1012 HB3 LEU 59 HB1 LEU 59 10.766 7.054 -3.431 1013 HG LEU 59 HG LEU 59 9.677 8.167 -6.021 1014 HD11 LEU 59 HD11 LEU 59 12.526 7.699 -5.154 1015 HD12 LEU 59 HD12 LEU 59 11.758 9.265 -5.415 1016 HD13 LEU 59 HD13 LEU 59 12.005 8.167 -6.773 1017 HD21 LEU 59 HD21 LEU 59 10.636 6.153 -7.016 1018 HD22 LEU 59 HD22 LEU 59 9.405 5.751 -5.818 1019 HD23 LEU 59 HD23 LEU 59 11.114 5.586 -5.417 1020 H VAL 60 HN VAL 60 7.225 5.461 -4.687 1021 HA VAL 60 HA VAL 60 7.867 3.354 -2.767 1022 HB VAL 60 HB VAL 60 5.904 3.283 -5.066 1023 HG11 VAL 60 HG11 VAL 60 4.903 1.413 -3.829 1024 HG12 VAL 60 HG12 VAL 60 6.200 1.519 -2.640 1025 HG13 VAL 60 HG13 VAL 60 6.567 1.078 -4.308 1026 HG21 VAL 60 HG21 VAL 60 5.300 5.056 -3.510 1027 HG22 VAL 60 HG22 VAL 60 5.401 3.923 -2.162 1028 HG23 VAL 60 HG23 VAL 60 4.162 3.712 -3.401 1029 H ILE 61 HN ILE 61 9.823 2.487 -3.266 1030 HA ILE 61 HA ILE 61 10.523 2.003 -6.059 1031 HB ILE 61 HB ILE 61 12.167 1.507 -3.568 1032 HG12 ILE 61 HG12 ILE 61 12.261 3.812 -5.529 1033 HG13 ILE 61 HG11 ILE 61 11.610 3.894 -3.896 1034 HG21 ILE 61 HG21 ILE 61 12.864 0.138 -5.463 1035 HG22 ILE 61 HG22 ILE 61 14.064 1.381 -5.111 1036 HG23 ILE 61 HG23 ILE 61 12.967 1.578 -6.477 1037 HD11 ILE 61 HD11 ILE 61 13.842 4.841 -4.012 1038 HD12 ILE 61 HD12 ILE 61 14.472 3.313 -4.627 1039 HD13 ILE 61 HD13 ILE 61 13.820 3.403 -2.990 1040 H ASP 62 HN ASP 62 9.528 0.258 -6.844 1041 HA ASP 62 HA ASP 62 9.193 -1.924 -7.340 1042 HB2 ASP 62 HB2 ASP 62 11.570 -2.246 -6.792 1043 HB3 ASP 62 HB1 ASP 62 11.149 -2.501 -5.103 1044 H GLY 63 HN GLY 63 8.343 -0.551 -4.464 1045 HA2 GLY 63 HA2 GLY 63 6.011 -1.537 -3.852 1046 HA3 GLY 63 HA1 GLY 63 6.991 -2.929 -3.410 1047 H ALA 64 HN ALA 64 9.196 -1.062 -2.587 1048 HA ALA 64 HA ALA 64 8.266 -0.646 0.127 1049 HB1 ALA 64 HB1 ALA 64 10.479 -1.619 -0.273 1050 HB2 ALA 64 HB2 ALA 64 10.592 -0.106 0.627 1051 HB3 ALA 64 HB3 ALA 64 10.980 -0.140 -1.094 1052 H ALA 65 HN ALA 65 7.205 1.157 0.608 1053 HA ALA 65 HA ALA 65 7.479 3.527 -1.021 1054 HB1 ALA 65 HB1 ALA 65 5.758 3.025 1.402 1055 HB2 ALA 65 HB2 ALA 65 5.269 2.803 -0.278 1056 HB3 ALA 65 HB3 ALA 65 5.651 4.416 0.325 1057 H PHE 66 HN PHE 66 9.198 4.772 -0.672 1058 HA PHE 66 HA PHE 66 10.032 5.316 2.089 1059 HB2 PHE 66 HB2 PHE 66 11.399 5.880 -0.552 1060 HB3 PHE 66 HB1 PHE 66 12.028 6.383 1.013 1061 HD1 PHE 66 HD1 PHE 66 12.813 4.705 2.628 1062 HD2 PHE 66 HD2 PHE 66 11.587 3.630 -1.302 1063 HE1 PHE 66 HE1 PHE 66 13.942 2.534 2.875 1064 HE2 PHE 66 HE2 PHE 66 12.712 1.455 -1.062 1065 HZ PHE 66 HZ PHE 66 13.892 0.906 1.028 1066 H HIS 67 HN HIS 67 9.104 7.004 2.997 1067 HA HIS 67 HA HIS 67 7.714 8.987 1.474 1068 HB2 HIS 67 HB2 HIS 67 8.353 8.900 4.432 1069 HB3 HIS 67 HB1 HIS 67 7.208 9.994 3.665 1070 HD1 HIS 67 HD1 HIS 67 7.423 6.696 5.225 1071 HD2 HIS 67 HD2 HIS 67 4.934 8.600 2.498 1072 HE1 HIS 67 HE1 HIS 67 5.262 5.376 5.190 1073 H ILE 68 HN ILE 68 8.406 10.929 0.797 1074 HA ILE 68 HA ILE 68 11.146 11.712 1.503 1075 HB ILE 68 HB ILE 68 9.400 12.766 -0.734 1076 HG12 ILE 68 HG12 ILE 68 11.688 10.783 -0.846 1077 HG13 ILE 68 HG11 ILE 68 9.986 10.372 -1.016 1078 HG21 ILE 68 HG21 ILE 68 11.091 14.359 0.002 1079 HG22 ILE 68 HG22 ILE 68 11.483 13.727 -1.597 1080 HG23 ILE 68 HG23 ILE 68 12.344 13.131 -0.177 1081 HD11 ILE 68 HD11 ILE 68 11.083 10.463 -3.172 1082 HD12 ILE 68 HD12 ILE 68 11.577 12.129 -2.868 1083 HD13 ILE 68 HD13 ILE 68 9.867 11.734 -3.040 1084 H ASN 69 HN ASN 69 11.072 12.878 3.320 1085 HA ASN 69 HA ASN 69 10.463 14.394 4.903 1086 HB2 ASN 69 HB2 ASN 69 9.413 15.820 2.452 1087 HB3 ASN 69 HB1 ASN 69 9.236 16.498 4.066 1088 HD21 ASN 69 HD21 ASN 69 10.721 17.458 1.722 1089 HD22 ASN 69 HD22 ASN 69 12.350 17.671 2.260 1090 H PHE 70 HN PHE 70 8.199 15.756 5.508 1091 HA PHE 70 HA PHE 70 6.129 13.713 5.441 1092 HB2 PHE 70 HB2 PHE 70 6.624 14.982 7.564 1093 HB3 PHE 70 HB1 PHE 70 6.007 16.431 6.774 1094 HD1 PHE 70 HD2 PHE 70 5.089 13.054 7.952 1095 HD2 PHE 70 HD1 PHE 70 3.682 16.843 6.620 1096 HE1 PHE 70 HE2 PHE 70 2.807 12.443 8.640 1097 HE2 PHE 70 HE1 PHE 70 1.397 16.238 7.304 1098 HZ PHE 70 HZ PHE 70 0.958 14.036 8.314 1099 H GLY 71 HN GLY 71 5.675 13.766 3.244 1100 HA2 GLY 71 HA2 GLY 71 5.109 16.116 1.788 1101 HA3 GLY 71 HA1 GLY 71 4.656 14.482 1.319 1102 H ALA 72 HN ALA 72 2.673 13.602 2.141 1103 HA ALA 72 HA ALA 72 0.893 15.555 3.421 1104 HB1 ALA 72 HB1 ALA 72 -0.947 15.055 1.903 1105 HB2 ALA 72 HB2 ALA 72 0.107 14.002 0.958 1106 HB3 ALA 72 HB3 ALA 72 0.425 15.736 1.030 1107 H GLY 73 HN GLY 73 -1.264 14.371 4.021 1108 HA2 GLY 73 HA2 GLY 73 -0.542 11.677 4.998 1109 HA3 GLY 73 HA1 GLY 73 -1.716 12.740 5.765 1110 H ILE 74 HN ILE 74 -1.608 9.947 4.183 1111 HA ILE 74 HA ILE 74 -3.461 10.350 2.064 1112 HB ILE 74 HB ILE 74 -1.920 8.371 2.231 1113 HG12 ILE 74 HG12 ILE 74 -4.861 7.741 1.895 1114 HG13 ILE 74 HG11 ILE 74 -3.833 8.468 0.668 1115 HG21 ILE 74 HG21 ILE 74 -2.649 6.433 3.540 1116 HG22 ILE 74 HG22 ILE 74 -3.957 7.393 4.230 1117 HG23 ILE 74 HG23 ILE 74 -2.280 7.810 4.577 1118 HD11 ILE 74 HD11 ILE 74 -3.503 5.720 1.842 1119 HD12 ILE 74 HD12 ILE 74 -2.475 6.447 0.607 1120 HD13 ILE 74 HD13 ILE 74 -4.169 6.104 0.255 1121 H ASP 75 HN ASP 75 -3.796 9.682 5.475 1122 HA ASP 75 HA ASP 75 -6.582 9.017 5.335 1123 HB2 ASP 75 HB2 ASP 75 -4.891 8.364 7.177 1124 HB3 ASP 75 HB1 ASP 75 -5.162 9.983 7.812 1125 H ASP 76 HN ASP 76 -4.708 11.873 5.491 1126 HA ASP 76 HA ASP 76 -6.636 13.671 6.534 1127 HB2 ASP 76 HB2 ASP 76 -4.279 14.239 6.532 1128 HB3 ASP 76 HB1 ASP 76 -4.205 14.098 4.782 1129 H LEU 77 HN LEU 77 -5.916 12.436 3.342 1130 HA LEU 77 HA LEU 77 -7.660 14.363 2.038 1131 HB2 LEU 77 HB2 LEU 77 -6.031 12.093 0.897 1132 HB3 LEU 77 HB1 LEU 77 -6.901 13.290 -0.042 1133 HG LEU 77 HG LEU 77 -4.574 13.864 1.795 1134 HD11 LEU 77 HD11 LEU 77 -4.740 13.819 -1.215 1135 HD12 LEU 77 HD12 LEU 77 -3.901 12.643 -0.204 1136 HD13 LEU 77 HD13 LEU 77 -3.340 14.314 -0.263 1137 HD21 LEU 77 HD21 LEU 77 -6.133 15.729 1.681 1138 HD22 LEU 77 HD22 LEU 77 -6.100 15.667 -0.081 1139 HD23 LEU 77 HD23 LEU 77 -4.645 16.107 0.814 1140 H LYS 78 HN LYS 78 -8.330 11.719 3.745 1141 HA LYS 78 HA LYS 78 -10.015 10.294 1.910 1142 HB2 LYS 78 HB2 LYS 78 -9.808 10.180 4.923 1143 HB3 LYS 78 HB1 LYS 78 -10.840 9.124 3.964 1144 HG2 LYS 78 HG2 LYS 78 -8.870 8.269 2.793 1145 HG3 LYS 78 HG1 LYS 78 -7.842 9.312 3.778 1146 HD2 LYS 78 HD2 LYS 78 -8.665 8.155 5.798 1147 HD3 LYS 78 HD1 LYS 78 -9.607 7.076 4.765 1148 HE2 LYS 78 HE2 LYS 78 -7.578 6.269 3.711 1149 HE3 LYS 78 HE1 LYS 78 -6.610 7.398 4.658 1150 HZ1 LYS 78 HZ1 LYS 78 -6.495 5.255 5.671 1151 HZ2 LYS 78 HZ2 LYS 78 -8.182 5.097 5.679 1152 HZ3 LYS 78 HZ3 LYS 78 -7.433 6.252 6.675 1153 H GLY 79 HN GLY 79 -10.577 12.552 4.594 1154 HA2 GLY 79 HA2 GLY 79 -13.338 12.930 3.696 1155 HA3 GLY 79 HA1 GLY 79 -12.607 13.619 5.143 1156 H SER 80 HN SER 80 -14.129 15.117 3.266 1157 HA SER 80 HA SER 80 -12.128 16.586 1.723 1158 HB2 SER 80 HB2 SER 80 -14.325 15.847 0.697 1159 HB3 SER 80 HB1 SER 80 -15.124 17.013 1.749 1160 HG SER 80 HG SER 80 -13.872 18.658 0.753 Start of MODEL 12 1 H1 VAL 1 HT1 VAL 1 32.630 11.548 -10.697 2 H2 VAL 1 HT2 VAL 1 31.316 11.232 -11.720 3 H3 VAL 1 HT3 VAL 1 31.693 10.152 -10.473 4 HA VAL 1 HA VAL 1 29.786 11.457 -9.867 5 HB VAL 1 HB VAL 1 30.542 12.372 -7.741 6 HG11 VAL 1 HG11 VAL 1 30.387 9.962 -7.909 7 HG12 VAL 1 HG12 VAL 1 31.733 10.410 -6.860 8 HG13 VAL 1 HG13 VAL 1 32.042 9.875 -8.512 9 HG21 VAL 1 HG21 VAL 1 33.343 12.072 -8.824 10 HG22 VAL 1 HG22 VAL 1 32.916 12.519 -7.173 11 HG23 VAL 1 HG23 VAL 1 32.508 13.593 -8.510 12 H ALA 2 HN ALA 2 28.960 13.606 -9.230 13 HA ALA 2 HA ALA 2 30.354 15.830 -10.529 14 HB1 ALA 2 HB1 ALA 2 28.333 16.569 -11.660 15 HB2 ALA 2 HB2 ALA 2 27.456 15.172 -11.037 16 HB3 ALA 2 HB3 ALA 2 28.780 14.945 -12.180 17 H SER 3 HN SER 3 27.150 15.339 -9.005 18 HA SER 3 HA SER 3 27.673 17.757 -7.443 19 HB2 SER 3 HB2 SER 3 25.112 17.478 -7.005 20 HB3 SER 3 HB1 SER 3 25.670 18.063 -8.573 21 HG SER 3 HG SER 3 24.855 16.349 -9.458 22 H LYS 4 HN LYS 4 26.704 17.817 -5.230 23 HA LYS 4 HA LYS 4 27.732 15.496 -3.785 24 HB2 LYS 4 HB2 LYS 4 28.768 17.559 -3.181 25 HB3 LYS 4 HB1 LYS 4 27.217 18.364 -3.008 26 HG2 LYS 4 HG2 LYS 4 26.722 17.040 -1.034 27 HG3 LYS 4 HG1 LYS 4 28.244 16.163 -1.225 28 HD2 LYS 4 HD2 LYS 4 27.997 19.138 -0.782 29 HD3 LYS 4 HD1 LYS 4 28.378 17.957 0.472 30 HE2 LYS 4 HE2 LYS 4 30.024 18.332 -2.026 31 HE3 LYS 4 HE1 LYS 4 30.353 19.169 -0.510 32 HZ1 LYS 4 HZ1 LYS 4 31.646 17.065 -0.936 33 HZ2 LYS 4 HZ2 LYS 4 30.200 16.209 -0.681 34 HZ3 LYS 4 HZ3 LYS 4 30.860 17.163 0.561 35 H ALA 5 HN ALA 5 26.483 14.161 -2.652 36 HA ALA 5 HA ALA 5 23.856 15.101 -1.729 37 HB1 ALA 5 HB1 ALA 5 24.365 12.407 -2.992 38 HB2 ALA 5 HB2 ALA 5 23.494 13.745 -3.741 39 HB3 ALA 5 HB3 ALA 5 22.840 12.962 -2.303 40 H ILE 6 HN ILE 6 24.272 15.224 0.402 41 HA ILE 6 HA ILE 6 25.865 13.118 1.656 42 HB ILE 6 HB ILE 6 25.688 14.700 3.692 43 HG12 ILE 6 HG12 ILE 6 24.887 16.567 1.448 44 HG13 ILE 6 HG11 ILE 6 23.910 16.137 2.847 45 HG21 ILE 6 HG21 ILE 6 27.733 14.310 2.451 46 HG22 ILE 6 HG22 ILE 6 27.594 16.015 2.878 47 HG23 ILE 6 HG23 ILE 6 27.243 15.487 1.232 48 HD11 ILE 6 HD11 ILE 6 26.490 17.685 2.901 49 HD12 ILE 6 HD12 ILE 6 25.521 17.248 4.309 50 HD13 ILE 6 HD13 ILE 6 24.867 18.348 3.094 51 H PHE 7 HN PHE 7 25.036 11.610 2.904 52 HA PHE 7 HA PHE 7 22.153 11.748 3.492 53 HB2 PHE 7 HB2 PHE 7 22.850 9.998 1.880 54 HB3 PHE 7 HB1 PHE 7 23.914 9.315 3.102 55 HD1 PHE 7 HD2 PHE 7 20.343 10.145 2.481 56 HD2 PHE 7 HD1 PHE 7 23.135 7.640 4.490 57 HE1 PHE 7 HE2 PHE 7 18.497 8.726 3.271 58 HE2 PHE 7 HE1 PHE 7 21.293 6.215 5.281 59 HZ PHE 7 HZ PHE 7 18.970 6.758 4.672 60 H TYR 8 HN TYR 8 21.799 12.217 5.555 61 HA TYR 8 HA TYR 8 23.742 11.360 7.588 62 HB2 TYR 8 HB2 TYR 8 21.559 13.450 7.645 63 HB3 TYR 8 HB1 TYR 8 22.494 12.984 9.058 64 HD1 TYR 8 HD1 TYR 8 22.812 14.437 5.648 65 HD2 TYR 8 HD2 TYR 8 24.556 13.988 9.501 66 HE1 TYR 8 HE1 TYR 8 24.497 16.131 5.078 67 HE2 TYR 8 HE2 TYR 8 26.250 15.680 8.939 68 HH TYR 8 HH TYR 8 27.228 16.803 7.160 69 H HIS 9 HN HIS 9 23.179 10.016 9.248 70 HA HIS 9 HA HIS 9 20.448 9.612 9.981 71 HB2 HIS 9 HB2 HIS 9 20.257 7.250 9.487 72 HB3 HIS 9 HB1 HIS 9 20.571 8.136 8.003 73 HD2 HIS 9 HD2 HIS 9 23.045 7.634 6.804 74 HE1 HIS 9 HE1 HIS 9 23.920 4.336 9.302 75 HE2 HIS 9 HE2 HIS 9 24.371 5.412 7.055 76 H ALA 10 HN ALA 10 20.429 7.530 11.555 77 HA ALA 10 HA ALA 10 22.727 7.926 13.359 78 HB1 ALA 10 HB1 ALA 10 20.759 9.107 14.185 79 HB2 ALA 10 HB2 ALA 10 21.177 7.761 15.248 80 HB3 ALA 10 HB3 ALA 10 19.825 7.611 14.125 81 H GLY 11 HN GLY 11 21.868 5.762 11.336 82 HA2 GLY 11 HA2 GLY 11 22.322 3.503 11.226 83 HA3 GLY 11 HA1 GLY 11 22.747 3.544 12.931 84 H CYS 12 HN CYS 12 19.771 4.140 11.072 85 HA CYS 12 HA CYS 12 18.351 2.402 12.971 86 HB2 CYS 12 HB2 CYS 12 17.161 4.415 11.048 87 HB3 CYS 12 HB1 CYS 12 16.340 3.595 12.371 88 HG CYS 12 HG CYS 12 17.770 4.922 14.385 89 HA PRO 13 HA PRO 13 17.635 -0.802 10.030 90 HB2 PRO 13 HB2 PRO 13 14.717 -0.472 10.559 91 HB3 PRO 13 HB1 PRO 13 15.716 -1.929 10.624 92 HG2 PRO 13 HG2 PRO 13 14.946 -0.736 12.866 93 HG3 PRO 13 HG1 PRO 13 16.582 -1.404 12.716 94 HD2 PRO 13 HD2 PRO 13 15.676 1.439 12.596 95 HD3 PRO 13 HD1 PRO 13 17.158 0.756 13.294 96 H VAL 14 HN VAL 14 15.322 1.879 9.813 97 HA VAL 14 HA VAL 14 14.497 1.463 7.164 98 HB VAL 14 HB VAL 14 14.701 4.116 8.601 99 HG11 VAL 14 HG11 VAL 14 12.924 3.240 6.327 100 HG12 VAL 14 HG12 VAL 14 14.308 4.326 6.200 101 HG13 VAL 14 HG13 VAL 14 12.888 4.813 7.127 102 HG21 VAL 14 HG21 VAL 14 13.475 2.501 9.947 103 HG22 VAL 14 HG22 VAL 14 12.441 2.119 8.571 104 HG23 VAL 14 HG23 VAL 14 12.386 3.726 9.295 105 H CYS 15 HN CYS 15 17.295 3.084 8.506 106 HA CYS 15 HA CYS 15 18.073 4.514 6.197 107 HB2 CYS 15 HB2 CYS 15 19.904 3.477 8.365 108 HB3 CYS 15 HB1 CYS 15 20.155 4.878 7.328 109 HG CYS 15 HG CYS 15 17.976 6.302 8.468 110 H VAL 16 HN VAL 16 18.599 1.235 7.290 111 HA VAL 16 HA VAL 16 20.681 0.563 5.495 112 HB VAL 16 HB VAL 16 18.616 -1.278 6.718 113 HG11 VAL 16 HG11 VAL 16 20.338 -3.010 6.433 114 HG12 VAL 16 HG12 VAL 16 21.358 -1.842 5.594 115 HG13 VAL 16 HG13 VAL 16 19.815 -2.331 4.892 116 HG21 VAL 16 HG21 VAL 16 20.267 -1.667 8.483 117 HG22 VAL 16 HG22 VAL 16 19.763 0.022 8.432 118 HG23 VAL 16 HG23 VAL 16 21.323 -0.452 7.762 119 H SER 17 HN SER 17 17.150 0.182 5.331 120 HA SER 17 HA SER 17 17.075 -0.965 2.759 121 HB2 SER 17 HB2 SER 17 14.976 0.711 4.161 122 HB3 SER 17 HB1 SER 17 14.697 -0.333 2.766 123 HG SER 17 HG SER 17 14.556 -1.962 4.069 124 H ALA 18 HN ALA 18 16.975 2.394 3.873 125 HA ALA 18 HA ALA 18 16.499 3.588 1.368 126 HB1 ALA 18 HB1 ALA 18 17.983 4.733 3.732 127 HB2 ALA 18 HB2 ALA 18 16.235 4.773 3.496 128 HB3 ALA 18 HB3 ALA 18 17.294 5.649 2.390 129 H GLU 19 HN GLU 19 19.430 2.505 2.945 130 HA GLU 19 HA GLU 19 21.263 3.695 1.140 131 HB2 GLU 19 HB2 GLU 19 21.967 2.982 3.347 132 HB3 GLU 19 HB1 GLU 19 21.529 1.318 2.989 133 HG2 GLU 19 HG2 GLU 19 23.271 1.259 1.254 134 HG3 GLU 19 HG1 GLU 19 23.738 2.902 1.698 135 H GLN 20 HN GLN 20 19.814 0.458 1.335 136 HA GLN 20 HA GLN 20 21.347 -0.488 -0.908 137 HB2 GLN 20 HB2 GLN 20 20.684 -1.910 1.034 138 HB3 GLN 20 HB1 GLN 20 19.020 -1.822 0.479 139 HG2 GLN 20 HG2 GLN 20 19.523 -3.031 -1.497 140 HG3 GLN 20 HG1 GLN 20 21.257 -2.901 -1.212 141 HE21 GLN 20 HE21 GLN 20 22.213 -4.179 0.370 142 HE22 GLN 20 HE22 GLN 20 21.435 -5.587 1.009 143 H ALA 21 HN ALA 21 18.413 1.196 -0.572 144 HA ALA 21 HA ALA 21 17.565 0.346 -3.258 145 HB1 ALA 21 HB1 ALA 21 15.344 1.148 -2.701 146 HB2 ALA 21 HB2 ALA 21 15.918 1.695 -1.127 147 HB3 ALA 21 HB3 ALA 21 15.898 -0.027 -1.509 148 H VAL 22 HN VAL 22 17.263 3.323 -1.293 149 HA VAL 22 HA VAL 22 16.929 4.958 -3.584 150 HB VAL 22 HB VAL 22 17.712 5.869 -0.813 151 HG11 VAL 22 HG11 VAL 22 17.954 7.589 -2.516 152 HG12 VAL 22 HG12 VAL 22 16.590 7.955 -1.459 153 HG13 VAL 22 HG13 VAL 22 16.305 7.295 -3.069 154 HG21 VAL 22 HG21 VAL 22 15.318 6.127 -0.382 155 HG22 VAL 22 HG22 VAL 22 15.733 4.443 -0.707 156 HG23 VAL 22 HG23 VAL 22 14.956 5.417 -1.955 157 H ALA 23 HN ALA 23 19.652 4.628 -1.304 158 HA ALA 23 HA ALA 23 21.319 6.418 -2.805 159 HB1 ALA 23 HB1 ALA 23 23.050 5.839 -1.188 160 HB2 ALA 23 HB2 ALA 23 22.040 4.535 -0.562 161 HB3 ALA 23 HB3 ALA 23 21.527 6.211 -0.378 162 H ASN 24 HN ASN 24 20.321 3.459 -3.566 163 HA ASN 24 HA ASN 24 22.874 2.615 -4.758 164 HB2 ASN 24 HB2 ASN 24 21.836 1.001 -3.206 165 HB3 ASN 24 HB1 ASN 24 20.375 1.005 -4.184 166 HD21 ASN 24 HD21 ASN 24 20.538 -1.202 -4.450 167 HD22 ASN 24 HD22 ASN 24 21.677 -1.911 -5.543 168 H ALA 25 HN ALA 25 19.584 3.538 -5.352 169 HA ALA 25 HA ALA 25 19.538 2.820 -8.124 170 HB1 ALA 25 HB1 ALA 25 17.461 4.099 -8.207 171 HB2 ALA 25 HB2 ALA 25 17.778 4.732 -6.592 172 HB3 ALA 25 HB3 ALA 25 17.477 3.009 -6.820 173 H ILE 26 HN ILE 26 20.452 5.614 -6.254 174 HA ILE 26 HA ILE 26 20.698 7.471 -8.379 175 HB ILE 26 HB ILE 26 22.209 7.359 -5.756 176 HG12 ILE 26 HG12 ILE 26 19.726 8.919 -6.504 177 HG13 ILE 26 HG11 ILE 26 19.739 7.462 -5.516 178 HG21 ILE 26 HG21 ILE 26 23.341 8.778 -7.369 179 HG22 ILE 26 HG22 ILE 26 22.592 9.761 -6.110 180 HG23 ILE 26 HG23 ILE 26 21.837 9.638 -7.699 181 HD11 ILE 26 HD11 ILE 26 21.085 8.620 -3.838 182 HD12 ILE 26 HD12 ILE 26 19.556 9.444 -4.140 183 HD13 ILE 26 HD13 ILE 26 21.051 10.080 -4.826 184 H ASP 27 HN ASP 27 22.355 7.830 -9.799 185 HA ASP 27 HA ASP 27 24.431 5.780 -9.890 186 HB2 ASP 27 HB2 ASP 27 23.055 6.453 -11.934 187 HB3 ASP 27 HB1 ASP 27 23.974 7.958 -11.930 188 HA PRO 28 HA PRO 28 27.439 8.323 -7.901 189 HB2 PRO 28 HB2 PRO 28 29.337 6.885 -9.684 190 HB3 PRO 28 HB1 PRO 28 29.356 7.066 -7.926 191 HG2 PRO 28 HG2 PRO 28 28.628 4.764 -9.047 192 HG3 PRO 28 HG1 PRO 28 27.800 5.376 -7.604 193 HD2 PRO 28 HD2 PRO 28 26.904 5.387 -10.452 194 HD3 PRO 28 HD1 PRO 28 25.958 5.133 -8.971 195 H SER 29 HN SER 29 27.388 8.025 -11.430 196 HA SER 29 HA SER 29 29.191 10.159 -11.930 197 HB2 SER 29 HB2 SER 29 28.319 10.107 -14.231 198 HB3 SER 29 HB1 SER 29 28.663 8.481 -13.647 199 HG SER 29 HG SER 29 26.505 8.090 -13.408 200 H LYS 30 HN LYS 30 25.793 9.975 -11.259 201 HA LYS 30 HA LYS 30 25.252 12.722 -11.921 202 HB2 LYS 30 HB2 LYS 30 23.680 10.558 -10.530 203 HB3 LYS 30 HB1 LYS 30 23.090 12.208 -10.635 204 HG2 LYS 30 HG2 LYS 30 22.985 12.090 -13.024 205 HG3 LYS 30 HG1 LYS 30 23.789 10.517 -13.026 206 HD2 LYS 30 HD2 LYS 30 21.913 9.406 -12.399 207 HD3 LYS 30 HD1 LYS 30 21.340 10.730 -11.385 208 HE2 LYS 30 HE2 LYS 30 19.851 10.391 -13.269 209 HE3 LYS 30 HE1 LYS 30 20.645 11.958 -13.381 210 HZ1 LYS 30 HZ1 LYS 30 21.399 9.508 -14.900 211 HZ2 LYS 30 HZ2 LYS 30 22.186 11.012 -14.998 212 HZ3 LYS 30 HZ3 LYS 30 20.580 10.861 -15.517 213 H TYR 31 HN TYR 31 24.837 11.007 -8.838 214 HA TYR 31 HA TYR 31 25.830 13.415 -7.457 215 HB2 TYR 31 HB2 TYR 31 23.540 11.604 -6.648 216 HB3 TYR 31 HB1 TYR 31 24.200 12.888 -5.642 217 HD1 TYR 31 HD2 TYR 31 22.450 12.230 -8.851 218 HD2 TYR 31 HD1 TYR 31 23.460 15.108 -5.886 219 HE1 TYR 31 HE2 TYR 31 20.893 13.828 -9.882 220 HE2 TYR 31 HE1 TYR 31 21.903 16.713 -6.909 221 HH TYR 31 HH TYR 31 19.593 15.825 -9.210 222 H THR 32 HN THR 32 27.254 13.089 -5.802 223 HA THR 32 HA THR 32 28.129 10.340 -5.365 224 HB THR 32 HB THR 32 29.927 11.901 -5.787 225 HG1 THR 32 HG1 THR 32 30.177 11.521 -3.016 226 HG21 THR 32 HG21 THR 32 28.995 13.437 -3.360 227 HG22 THR 32 HG22 THR 32 28.837 13.967 -5.034 228 HG23 THR 32 HG23 THR 32 30.437 13.777 -4.317 229 H VAL 33 HN VAL 33 27.238 9.213 -3.794 230 HA VAL 33 HA VAL 33 25.679 10.508 -1.744 231 HB VAL 33 HB VAL 33 26.269 7.560 -2.088 232 HG11 VAL 33 HG11 VAL 33 25.517 8.098 0.149 233 HG12 VAL 33 HG12 VAL 33 24.242 7.251 -0.727 234 HG13 VAL 33 HG13 VAL 33 24.146 8.998 -0.500 235 HG21 VAL 33 HG21 VAL 33 23.912 9.175 -3.061 236 HG22 VAL 33 HG22 VAL 33 24.081 7.422 -3.172 237 HG23 VAL 33 HG23 VAL 33 25.177 8.473 -4.070 238 H GLU 34 HN GLU 34 26.784 11.446 -0.175 239 HA GLU 34 HA GLU 34 29.046 10.031 1.056 240 HB2 GLU 34 HB2 GLU 34 28.156 12.909 1.312 241 HB3 GLU 34 HB1 GLU 34 29.572 12.211 2.086 242 HG2 GLU 34 HG2 GLU 34 30.622 11.833 -0.028 243 HG3 GLU 34 HG1 GLU 34 29.163 12.318 -0.891 244 H ILE 35 HN ILE 35 28.279 8.689 2.575 245 HA ILE 35 HA ILE 35 25.924 9.384 4.115 246 HB ILE 35 HB ILE 35 27.681 6.926 4.254 247 HG12 ILE 35 HG12 ILE 35 25.005 7.357 2.902 248 HG13 ILE 35 HG11 ILE 35 26.552 7.237 2.071 249 HG21 ILE 35 HG21 ILE 35 25.773 5.916 5.441 250 HG22 ILE 35 HG22 ILE 35 24.964 7.484 5.439 251 HG23 ILE 35 HG23 ILE 35 26.474 7.270 6.326 252 HD11 ILE 35 HD11 ILE 35 25.302 5.158 1.941 253 HD12 ILE 35 HD12 ILE 35 25.258 5.063 3.701 254 HD13 ILE 35 HD13 ILE 35 26.798 4.943 2.849 255 H VAL 36 HN VAL 36 25.907 10.220 6.097 256 HA VAL 36 HA VAL 36 28.414 10.220 7.650 257 HB VAL 36 HB VAL 36 26.424 12.495 7.505 258 HG11 VAL 36 HG11 VAL 36 27.491 12.330 9.678 259 HG12 VAL 36 HG12 VAL 36 28.098 13.736 8.803 260 HG13 VAL 36 HG13 VAL 36 29.081 12.277 8.916 261 HG21 VAL 36 HG21 VAL 36 27.667 12.350 5.434 262 HG22 VAL 36 HG22 VAL 36 29.188 12.258 6.321 263 HG23 VAL 36 HG23 VAL 36 28.227 13.736 6.371 264 H HIS 37 HN HIS 37 28.169 9.173 9.494 265 HA HIS 37 HA HIS 37 25.543 8.701 10.625 266 HB2 HIS 37 HB2 HIS 37 27.453 6.997 10.505 267 HB3 HIS 37 HB1 HIS 37 28.203 7.903 11.813 268 HD2 HIS 37 HD2 HIS 37 25.146 5.569 11.182 269 HE1 HIS 37 HE1 HIS 37 25.721 6.033 15.347 270 HE2 HIS 37 HE2 HIS 37 24.556 4.685 13.548 271 H LEU 38 HN LEU 38 24.639 9.951 12.123 272 HA LEU 38 HA LEU 38 26.099 12.214 13.156 273 HB2 LEU 38 HB2 LEU 38 23.239 11.320 13.420 274 HB3 LEU 38 HB1 LEU 38 23.864 12.741 14.235 275 HG LEU 38 HG LEU 38 23.831 12.333 11.242 276 HD11 LEU 38 HD11 LEU 38 22.102 14.064 13.007 277 HD12 LEU 38 HD12 LEU 38 21.583 12.617 12.143 278 HD13 LEU 38 HD13 LEU 38 22.087 14.048 11.244 279 HD21 LEU 38 HD21 LEU 38 25.684 13.730 11.966 280 HD22 LEU 38 HD22 LEU 38 24.585 14.717 12.930 281 HD23 LEU 38 HD23 LEU 38 24.453 14.711 11.172 282 H GLY 39 HN GLY 39 25.793 9.085 14.187 283 HA2 GLY 39 HA2 GLY 39 25.668 9.748 17.041 284 HA3 GLY 39 HA1 GLY 39 25.605 8.131 16.350 285 H THR 40 HN THR 40 27.922 10.713 15.717 286 HA THR 40 HA THR 40 30.031 9.042 16.899 287 HB THR 40 HB THR 40 30.250 10.444 14.226 288 HG1 THR 40 HG1 THR 40 29.001 8.258 14.659 289 HG21 THR 40 HG21 THR 40 32.379 10.309 15.433 290 HG22 THR 40 HG22 THR 40 32.377 9.246 14.026 291 HG23 THR 40 HG23 THR 40 32.154 8.571 15.640 292 H ASP 41 HN ASP 41 29.529 12.230 15.352 293 HA ASP 41 HA ASP 41 31.298 13.377 17.412 294 HB2 ASP 41 HB2 ASP 41 32.410 13.295 15.226 295 HB3 ASP 41 HB1 ASP 41 31.077 14.192 14.507 296 H LYS 42 HN LYS 42 30.642 15.198 18.439 297 HA LYS 42 HA LYS 42 27.861 15.871 18.212 298 HB2 LYS 42 HB2 LYS 42 30.043 16.972 19.980 299 HB3 LYS 42 HB1 LYS 42 28.355 17.451 20.085 300 HG2 LYS 42 HG2 LYS 42 27.771 15.083 20.547 301 HG3 LYS 42 HG1 LYS 42 29.496 14.714 20.586 302 HD2 LYS 42 HD2 LYS 42 29.803 16.279 22.430 303 HD3 LYS 42 HD1 LYS 42 28.090 16.698 22.374 304 HE2 LYS 42 HE2 LYS 42 27.530 14.357 22.895 305 HE3 LYS 42 HE1 LYS 42 29.250 13.990 23.012 306 HZ1 LYS 42 HZ1 LYS 42 27.758 15.904 24.729 307 HZ2 LYS 42 HZ2 LYS 42 29.419 15.579 24.838 308 HZ3 LYS 42 HZ3 LYS 42 28.294 14.361 25.189 309 H ALA 43 HN ALA 43 30.849 17.303 17.122 310 HA ALA 43 HA ALA 43 29.758 19.921 16.727 311 HB1 ALA 43 HB1 ALA 43 32.231 18.690 15.512 312 HB2 ALA 43 HB2 ALA 43 32.166 19.570 17.040 313 HB3 ALA 43 HB3 ALA 43 31.817 20.404 15.526 314 H ARG 44 HN ARG 44 30.194 17.040 14.759 315 HA ARG 44 HA ARG 44 29.331 18.261 12.334 316 HB2 ARG 44 HB2 ARG 44 29.451 15.344 13.102 317 HB3 ARG 44 HB1 ARG 44 29.140 15.946 11.478 318 HG2 ARG 44 HG2 ARG 44 31.389 17.205 11.794 319 HG3 ARG 44 HG1 ARG 44 31.663 16.016 13.069 320 HD2 ARG 44 HD2 ARG 44 32.634 15.249 10.986 321 HD3 ARG 44 HD1 ARG 44 31.281 14.213 11.444 322 HE ARG 44 HE ARG 44 30.223 16.144 9.789 323 HH11 ARG 44 HH11 ARG 44 32.704 13.695 9.508 324 HH12 ARG 44 HH12 ARG 44 32.433 13.433 7.809 325 HH21 ARG 44 HH21 ARG 44 29.873 15.841 7.585 326 HH22 ARG 44 HH22 ARG 44 30.830 14.677 6.702 327 H ILE 45 HN ILE 45 27.632 17.239 15.100 328 HA ILE 45 HA ILE 45 25.112 16.730 13.909 329 HB ILE 45 HB ILE 45 25.728 17.919 16.627 330 HG12 ILE 45 HG12 ILE 45 25.078 15.078 15.805 331 HG13 ILE 45 HG11 ILE 45 26.669 15.665 16.278 332 HG21 ILE 45 HG21 ILE 45 23.454 17.246 17.240 333 HG22 ILE 45 HG22 ILE 45 23.161 16.721 15.582 334 HG23 ILE 45 HG23 ILE 45 23.444 18.427 15.931 335 HD11 ILE 45 HD11 ILE 45 25.604 14.454 18.088 336 HD12 ILE 45 HD12 ILE 45 24.229 15.557 18.038 337 HD13 ILE 45 HD13 ILE 45 25.820 16.151 18.514 338 H ALA 46 HN ALA 46 26.810 19.645 14.898 339 HA ALA 46 HA ALA 46 24.735 21.481 14.266 340 HB1 ALA 46 HB1 ALA 46 26.488 23.185 14.376 341 HB2 ALA 46 HB2 ALA 46 27.720 21.923 14.389 342 HB3 ALA 46 HB3 ALA 46 26.596 22.072 15.740 343 H GLU 47 HN GLU 47 27.241 19.891 12.441 344 HA GLU 47 HA GLU 47 27.126 21.403 10.067 345 HB2 GLU 47 HB2 GLU 47 28.900 19.764 10.521 346 HB3 GLU 47 HB1 GLU 47 27.725 18.459 10.454 347 HG2 GLU 47 HG2 GLU 47 27.283 19.068 8.085 348 HG3 GLU 47 HG1 GLU 47 28.604 20.232 8.191 349 H ALA 48 HN ALA 48 25.333 18.563 11.179 350 HA ALA 48 HA ALA 48 23.733 18.178 8.909 351 HB1 ALA 48 HB1 ALA 48 22.235 16.935 10.392 352 HB2 ALA 48 HB2 ALA 48 23.069 17.600 11.796 353 HB3 ALA 48 HB3 ALA 48 23.922 16.519 10.693 354 H GLU 49 HN GLU 49 23.322 20.242 11.740 355 HA GLU 49 HA GLU 49 20.728 21.167 11.167 356 HB2 GLU 49 HB2 GLU 49 22.952 22.648 12.583 357 HB3 GLU 49 HB1 GLU 49 21.235 23.014 12.681 358 HG2 GLU 49 HG2 GLU 49 20.860 20.793 13.696 359 HG3 GLU 49 HG1 GLU 49 22.603 20.529 13.684 360 H LYS 50 HN LYS 50 23.919 22.267 10.146 361 HA LYS 50 HA LYS 50 23.067 24.595 8.771 362 HB2 LYS 50 HB2 LYS 50 25.500 22.843 8.383 363 HB3 LYS 50 HB1 LYS 50 25.259 24.383 7.572 364 HG2 LYS 50 HG2 LYS 50 25.330 25.562 9.651 365 HG3 LYS 50 HG1 LYS 50 25.350 24.047 10.559 366 HD2 LYS 50 HD2 LYS 50 27.516 23.483 9.617 367 HD3 LYS 50 HD1 LYS 50 27.490 24.946 8.630 368 HE2 LYS 50 HE2 LYS 50 27.560 26.330 10.598 369 HE3 LYS 50 HE1 LYS 50 27.414 24.916 11.643 370 HZ1 LYS 50 HZ1 LYS 50 29.692 25.440 9.806 371 HZ2 LYS 50 HZ2 LYS 50 29.555 24.148 10.897 372 HZ3 LYS 50 HZ3 LYS 50 29.700 25.736 11.476 373 H ALA 51 HN ALA 51 23.499 21.235 7.809 374 HA ALA 51 HA ALA 51 22.999 21.588 5.051 375 HB1 ALA 51 HB1 ALA 51 24.083 19.591 5.949 376 HB2 ALA 51 HB2 ALA 51 22.656 19.167 5.002 377 HB3 ALA 51 HB3 ALA 51 22.586 19.139 6.764 378 H GLY 52 HN GLY 52 20.909 21.070 7.825 379 HA2 GLY 52 HA2 GLY 52 18.677 22.101 7.639 380 HA3 GLY 52 HA1 GLY 52 18.589 21.412 6.025 381 H VAL 53 HN VAL 53 20.106 19.297 8.108 382 HA VAL 53 HA VAL 53 18.051 17.365 7.953 383 HB VAL 53 HB VAL 53 20.473 17.423 9.763 384 HG11 VAL 53 HG11 VAL 53 18.794 15.842 10.549 385 HG12 VAL 53 HG12 VAL 53 20.198 14.996 9.896 386 HG13 VAL 53 HG13 VAL 53 18.716 15.111 8.946 387 HG21 VAL 53 HG21 VAL 53 20.083 16.177 7.044 388 HG22 VAL 53 HG22 VAL 53 21.510 15.985 8.063 389 HG23 VAL 53 HG23 VAL 53 21.093 17.573 7.419 390 H LYS 54 HN LYS 54 16.303 17.144 9.142 391 HA LYS 54 HA LYS 54 16.274 18.296 11.853 392 HB2 LYS 54 HB2 LYS 54 14.077 18.230 9.781 393 HB3 LYS 54 HB1 LYS 54 13.808 18.650 11.470 394 HG2 LYS 54 HG2 LYS 54 15.131 20.588 11.304 395 HG3 LYS 54 HG1 LYS 54 15.802 20.089 9.752 396 HD2 LYS 54 HD2 LYS 54 13.644 20.390 8.690 397 HD3 LYS 54 HD1 LYS 54 12.912 20.798 10.246 398 HE2 LYS 54 HE2 LYS 54 13.427 22.790 8.887 399 HE3 LYS 54 HE1 LYS 54 14.289 22.772 10.425 400 HZ1 LYS 54 HZ1 LYS 54 15.763 23.452 8.679 401 HZ2 LYS 54 HZ2 LYS 54 15.412 22.071 7.765 402 HZ3 LYS 54 HZ3 LYS 54 16.249 21.925 9.235 403 H SER 55 HN SER 55 15.942 15.554 9.939 404 HA SER 55 HA SER 55 15.411 13.952 12.265 405 HB2 SER 55 HB2 SER 55 13.545 12.700 10.975 406 HB3 SER 55 HB1 SER 55 13.135 14.223 11.762 407 HG SER 55 HG SER 55 14.014 14.735 9.296 408 H VAL 56 HN VAL 56 15.458 11.550 11.601 409 HA VAL 56 HA VAL 56 17.338 11.222 9.358 410 HB VAL 56 HB VAL 56 18.492 9.450 10.644 411 HG11 VAL 56 HG11 VAL 56 19.418 11.699 10.597 412 HG12 VAL 56 HG12 VAL 56 19.718 10.937 12.159 413 HG13 VAL 56 HG13 VAL 56 18.444 12.144 11.999 414 HG21 VAL 56 HG21 VAL 56 16.715 8.821 12.175 415 HG22 VAL 56 HG22 VAL 56 16.783 10.409 12.941 416 HG23 VAL 56 HG23 VAL 56 18.150 9.302 13.080 417 HA PRO 57 HA PRO 57 18.321 9.716 8.409 418 HB2 PRO 57 HB2 PRO 57 18.238 8.467 6.036 419 HB3 PRO 57 HB1 PRO 57 18.528 7.592 7.542 420 HG2 PRO 57 HG2 PRO 57 16.058 7.767 5.896 421 HG3 PRO 57 HG1 PRO 57 16.686 6.406 6.837 422 HD2 PRO 57 HD2 PRO 57 14.658 8.162 7.635 423 HD3 PRO 57 HD1 PRO 57 15.556 7.059 8.695 424 H ALA 58 HN ALA 58 19.078 11.155 6.810 425 HA ALA 58 HA ALA 58 16.987 12.537 5.263 426 HB1 ALA 58 HB1 ALA 58 19.157 13.892 6.857 427 HB2 ALA 58 HB2 ALA 58 17.457 13.798 7.318 428 HB3 ALA 58 HB3 ALA 58 17.930 14.686 5.869 429 H LEU 59 HN LEU 59 17.497 12.890 3.206 430 HA LEU 59 HA LEU 59 20.293 12.533 2.371 431 HB2 LEU 59 HB2 LEU 59 18.674 11.019 1.331 432 HB3 LEU 59 HB1 LEU 59 17.727 12.387 0.783 433 HG LEU 59 HG LEU 59 19.611 13.086 -0.664 434 HD11 LEU 59 HD11 LEU 59 21.446 12.097 0.590 435 HD12 LEU 59 HD12 LEU 59 21.442 11.523 -1.077 436 HD13 LEU 59 HD13 LEU 59 20.846 10.481 0.216 437 HD21 LEU 59 HD21 LEU 59 17.803 11.732 -1.566 438 HD22 LEU 59 HD22 LEU 59 18.644 10.261 -1.080 439 HD23 LEU 59 HD23 LEU 59 19.341 11.305 -2.318 440 H VAL 60 HN VAL 60 21.276 14.465 2.385 441 HA VAL 60 HA VAL 60 19.786 16.847 1.591 442 HB VAL 60 HB VAL 60 22.620 16.652 2.630 443 HG11 VAL 60 HG11 VAL 60 20.772 19.014 2.304 444 HG12 VAL 60 HG12 VAL 60 22.233 18.686 1.372 445 HG13 VAL 60 HG13 VAL 60 22.349 19.054 3.093 446 HG21 VAL 60 HG21 VAL 60 21.699 17.391 4.775 447 HG22 VAL 60 HG22 VAL 60 21.030 15.835 4.283 448 HG23 VAL 60 HG23 VAL 60 20.069 17.303 4.103 449 H ILE 61 HN ILE 61 19.626 16.978 -0.537 450 HA ILE 61 HA ILE 61 21.891 16.298 -2.248 451 HB ILE 61 HB ILE 61 19.036 17.024 -2.938 452 HG12 ILE 61 HG12 ILE 61 20.495 14.372 -3.034 453 HG13 ILE 61 HG11 ILE 61 19.298 14.835 -1.830 454 HG21 ILE 61 HG21 ILE 61 21.273 16.095 -4.734 455 HG22 ILE 61 HG22 ILE 61 20.558 17.706 -4.710 456 HG23 ILE 61 HG23 ILE 61 19.591 16.321 -5.216 457 HD11 ILE 61 HD11 ILE 61 18.800 14.497 -4.780 458 HD12 ILE 61 HD12 ILE 61 17.598 14.974 -3.581 459 HD13 ILE 61 HD13 ILE 61 18.334 13.372 -3.503 460 H ASP 62 HN ASP 62 23.302 17.839 -2.651 461 HA ASP 62 HA ASP 62 24.228 19.782 -3.351 462 HB2 ASP 62 HB2 ASP 62 22.582 19.940 -5.092 463 HB3 ASP 62 HB1 ASP 62 21.377 20.554 -3.966 464 H GLY 63 HN GLY 63 21.393 20.258 -1.324 465 HA2 GLY 63 HA2 GLY 63 22.726 21.608 0.728 466 HA3 GLY 63 HA1 GLY 63 22.074 22.820 -0.367 467 H ALA 64 HN ALA 64 19.793 20.945 -1.008 468 HA ALA 64 HA ALA 64 18.111 21.673 1.250 469 HB1 ALA 64 HB1 ALA 64 16.253 20.986 -0.172 470 HB2 ALA 64 HB2 ALA 64 17.388 20.382 -1.380 471 HB3 ALA 64 HB3 ALA 64 17.314 22.108 -1.024 472 H ALA 65 HN ALA 65 17.093 20.231 2.604 473 HA ALA 65 HA ALA 65 18.279 17.554 2.618 474 HB1 ALA 65 HB1 ALA 65 18.537 18.923 4.632 475 HB2 ALA 65 HB2 ALA 65 17.617 17.452 4.950 476 HB3 ALA 65 HB3 ALA 65 16.782 18.997 4.797 477 H PHE 66 HN PHE 66 17.150 15.963 1.775 478 HA PHE 66 HA PHE 66 14.215 16.017 2.008 479 HB2 PHE 66 HB2 PHE 66 15.974 14.534 0.038 480 HB3 PHE 66 HB1 PHE 66 14.219 14.402 0.117 481 HD1 PHE 66 HD1 PHE 66 12.802 16.258 -0.566 482 HD2 PHE 66 HD2 PHE 66 17.038 16.463 -0.902 483 HE1 PHE 66 HE1 PHE 66 12.586 18.192 -2.068 484 HE2 PHE 66 HE2 PHE 66 16.830 18.398 -2.407 485 HZ PHE 66 HZ PHE 66 14.601 19.266 -2.990 486 H HIS 67 HN HIS 67 13.674 14.945 3.780 487 HA HIS 67 HA HIS 67 15.260 12.849 4.895 488 HB2 HIS 67 HB2 HIS 67 12.441 13.718 5.572 489 HB3 HIS 67 HB1 HIS 67 13.455 12.671 6.558 490 HD1 HIS 67 HD1 HIS 67 12.746 16.235 5.867 491 HD2 HIS 67 HD2 HIS 67 15.698 13.981 7.731 492 HE1 HIS 67 HE1 HIS 67 14.069 17.845 7.299 493 H ILE 68 HN ILE 68 14.829 10.640 4.985 494 HA ILE 68 HA ILE 68 12.867 9.704 2.991 495 HB ILE 68 HB ILE 68 15.483 8.368 3.712 496 HG12 ILE 68 HG12 ILE 68 14.709 9.872 1.200 497 HG13 ILE 68 HG11 ILE 68 15.796 10.475 2.446 498 HG21 ILE 68 HG21 ILE 68 14.990 6.922 1.782 499 HG22 ILE 68 HG22 ILE 68 13.429 7.723 1.598 500 HG23 ILE 68 HG23 ILE 68 13.770 6.780 3.048 501 HD11 ILE 68 HD11 ILE 68 17.023 9.633 0.529 502 HD12 ILE 68 HD12 ILE 68 16.262 8.053 0.723 503 HD13 ILE 68 HD13 ILE 68 17.355 8.664 1.966 504 H ASN 69 HN ASN 69 11.194 9.237 4.325 505 HA ASN 69 HA ASN 69 9.906 8.119 5.815 506 HB2 ASN 69 HB2 ASN 69 12.212 6.199 5.647 507 HB3 ASN 69 HB1 ASN 69 10.901 5.929 6.789 508 HD21 ASN 69 HD21 ASN 69 11.721 4.370 4.460 509 HD22 ASN 69 HD22 ASN 69 10.322 4.269 3.445 510 H PHE 70 HN PHE 70 9.621 9.400 7.503 511 HA PHE 70 HA PHE 70 11.632 10.257 9.270 512 HB2 PHE 70 HB2 PHE 70 9.588 11.535 8.975 513 HB3 PHE 70 HB1 PHE 70 8.624 10.202 9.599 514 HD1 PHE 70 HD2 PHE 70 11.202 12.693 10.530 515 HD2 PHE 70 HD1 PHE 70 8.223 9.980 11.901 516 HE1 PHE 70 HE2 PHE 70 11.413 13.615 12.800 517 HE2 PHE 70 HE1 PHE 70 8.429 10.898 14.176 518 HZ PHE 70 HZ PHE 70 10.027 12.717 14.627 519 H GLY 71 HN GLY 71 12.766 8.853 10.442 520 HA2 GLY 71 HA2 GLY 71 11.323 6.777 11.950 521 HA3 GLY 71 HA1 GLY 71 13.059 6.811 11.658 522 H ALA 72 HN ALA 72 13.953 9.114 12.456 523 HA ALA 72 HA ALA 72 12.807 9.762 15.077 524 HB1 ALA 72 HB1 ALA 72 15.729 9.127 14.640 525 HB2 ALA 72 HB2 ALA 72 14.573 8.105 15.494 526 HB3 ALA 72 HB3 ALA 72 15.000 9.687 16.145 527 H GLY 73 HN GLY 73 13.850 11.815 15.960 528 HA2 GLY 73 HA2 GLY 73 14.243 13.638 13.675 529 HA3 GLY 73 HA1 GLY 73 13.622 14.104 15.254 530 H ILE 74 HN ILE 74 15.681 15.541 14.105 531 HA ILE 74 HA ILE 74 18.238 14.640 14.950 532 HB ILE 74 HB ILE 74 17.928 16.398 13.224 533 HG12 ILE 74 HG12 ILE 74 19.553 17.314 15.610 534 HG13 ILE 74 HG11 ILE 74 20.079 16.120 14.428 535 HG21 ILE 74 HG21 ILE 74 17.172 18.156 15.556 536 HG22 ILE 74 HG22 ILE 74 16.100 17.631 14.258 537 HG23 ILE 74 HG23 ILE 74 17.457 18.702 13.903 538 HD11 ILE 74 HD11 ILE 74 21.065 18.302 14.009 539 HD12 ILE 74 HD12 ILE 74 19.457 19.005 13.849 540 HD13 ILE 74 HD13 ILE 74 20.016 17.809 12.680 541 H ASP 75 HN ASP 75 15.608 16.248 16.515 542 HA ASP 75 HA ASP 75 16.963 17.353 18.718 543 HB2 ASP 75 HB2 ASP 75 14.101 16.420 18.440 544 HB3 ASP 75 HB1 ASP 75 14.716 17.330 19.817 545 H ASP 76 HN ASP 76 15.942 14.113 17.998 546 HA ASP 76 HA ASP 76 15.961 13.040 20.601 547 HB2 ASP 76 HB2 ASP 76 16.482 11.771 17.909 548 HB3 ASP 76 HB1 ASP 76 16.453 10.847 19.406 549 H LEU 77 HN LEU 77 18.513 13.619 18.260 550 HA LEU 77 HA LEU 77 20.516 12.441 20.030 551 HB2 LEU 77 HB2 LEU 77 20.807 13.695 17.296 552 HB3 LEU 77 HB1 LEU 77 22.081 12.882 18.185 553 HG LEU 77 HG LEU 77 19.560 11.571 17.158 554 HD11 LEU 77 HD11 LEU 77 21.052 12.194 15.349 555 HD12 LEU 77 HD12 LEU 77 21.071 10.446 15.585 556 HD13 LEU 77 HD13 LEU 77 22.408 11.431 16.179 557 HD21 LEU 77 HD21 LEU 77 20.621 9.483 17.819 558 HD22 LEU 77 HD22 LEU 77 20.406 10.542 19.213 559 HD23 LEU 77 HD23 LEU 77 21.998 10.372 18.471 560 H LYS 78 HN LYS 78 19.206 15.470 19.123 561 HA LYS 78 HA LYS 78 21.438 17.086 19.913 562 HB2 LYS 78 HB2 LYS 78 19.848 17.814 18.199 563 HB3 LYS 78 HB1 LYS 78 18.546 17.785 19.375 564 HG2 LYS 78 HG2 LYS 78 19.379 19.669 20.502 565 HG3 LYS 78 HG1 LYS 78 20.946 19.560 19.691 566 HD2 LYS 78 HD2 LYS 78 19.959 20.165 17.585 567 HD3 LYS 78 HD1 LYS 78 18.338 20.093 18.271 568 HE2 LYS 78 HE2 LYS 78 20.433 21.981 19.302 569 HE3 LYS 78 HE1 LYS 78 19.374 22.399 17.955 570 HZ1 LYS 78 HZ1 LYS 78 17.464 21.967 19.423 571 HZ2 LYS 78 HZ2 LYS 78 18.447 23.223 19.992 572 HZ3 LYS 78 HZ3 LYS 78 18.527 21.695 20.718 573 H GLY 79 HN GLY 79 18.579 15.796 21.443 574 HA2 GLY 79 HA2 GLY 79 18.271 15.480 23.728 575 HA3 GLY 79 HA1 GLY 79 19.672 16.493 24.036 576 H SER 80 HN SER 80 19.204 18.844 23.114 577 HA SER 80 HA SER 80 16.509 19.684 23.879 578 HB2 SER 80 HB2 SER 80 17.587 21.619 25.134 579 HB3 SER 80 HB1 SER 80 17.734 20.039 25.905 580 HG SER 80 HG SER 80 19.746 20.868 24.141 581 H1 VAL 1 HT1 VAL 1 14.990 1.292 -19.977 582 H2 VAL 1 HT2 VAL 1 13.538 2.096 -20.323 583 H3 VAL 1 HT3 VAL 1 13.652 0.416 -20.535 584 HA VAL 1 HA VAL 1 13.872 1.834 -17.945 585 HB VAL 1 HB VAL 1 11.719 0.765 -17.387 586 HG11 VAL 1 HG11 VAL 1 11.709 3.059 -18.167 587 HG12 VAL 1 HG12 VAL 1 10.277 2.213 -18.755 588 HG13 VAL 1 HG13 VAL 1 11.631 2.513 -19.843 589 HG21 VAL 1 HG21 VAL 1 11.679 -0.040 -20.294 590 HG22 VAL 1 HG22 VAL 1 10.323 -0.185 -19.176 591 HG23 VAL 1 HG23 VAL 1 11.791 -1.123 -18.908 592 H ALA 2 HN ALA 2 13.593 0.221 -16.129 593 HA ALA 2 HA ALA 2 14.381 -2.499 -16.763 594 HB1 ALA 2 HB1 ALA 2 16.532 -1.349 -16.583 595 HB2 ALA 2 HB2 ALA 2 16.308 -2.492 -15.259 596 HB3 ALA 2 HB3 ALA 2 16.090 -0.765 -14.978 597 H SER 3 HN SER 3 14.611 -0.602 -13.776 598 HA SER 3 HA SER 3 12.660 -2.421 -12.565 599 HB2 SER 3 HB2 SER 3 14.908 -2.121 -11.489 600 HB3 SER 3 HB1 SER 3 14.490 -0.434 -11.192 601 HG SER 3 HG SER 3 13.774 -2.652 -9.814 602 H LYS 4 HN LYS 4 11.562 -1.045 -10.596 603 HA LYS 4 HA LYS 4 9.966 0.951 -12.068 604 HB2 LYS 4 HB2 LYS 4 8.695 -1.044 -11.704 605 HB3 LYS 4 HB1 LYS 4 9.200 -1.133 -10.025 606 HG2 LYS 4 HG2 LYS 4 7.908 0.887 -9.534 607 HG3 LYS 4 HG1 LYS 4 7.378 0.946 -11.218 608 HD2 LYS 4 HD2 LYS 4 6.904 -1.397 -9.379 609 HD3 LYS 4 HD1 LYS 4 5.736 -0.100 -9.641 610 HE2 LYS 4 HE2 LYS 4 6.879 -1.726 -11.898 611 HE3 LYS 4 HE1 LYS 4 5.435 -2.218 -11.016 612 HZ1 LYS 4 HZ1 LYS 4 4.928 -0.977 -13.055 613 HZ2 LYS 4 HZ2 LYS 4 5.746 0.381 -12.436 614 HZ3 LYS 4 HZ3 LYS 4 4.347 -0.196 -11.669 615 H ALA 5 HN ALA 5 9.704 2.927 -11.195 616 HA ALA 5 HA ALA 5 10.105 3.274 -8.311 617 HB1 ALA 5 HB1 ALA 5 11.401 5.318 -8.671 618 HB2 ALA 5 HB2 ALA 5 11.354 5.047 -10.414 619 HB3 ALA 5 HB3 ALA 5 12.215 3.916 -9.368 620 H ILE 6 HN ILE 6 8.049 3.754 -7.774 621 HA ILE 6 HA ILE 6 6.475 5.483 -9.539 622 HB ILE 6 HB ILE 6 5.538 4.000 -7.078 623 HG12 ILE 6 HG12 ILE 6 5.328 3.161 -9.980 624 HG13 ILE 6 HG11 ILE 6 6.423 2.446 -8.801 625 HG21 ILE 6 HG21 ILE 6 4.125 5.874 -7.765 626 HG22 ILE 6 HG22 ILE 6 3.313 4.331 -8.026 627 HG23 ILE 6 HG23 ILE 6 4.015 5.201 -9.390 628 HD11 ILE 6 HD11 ILE 6 4.433 1.080 -9.166 629 HD12 ILE 6 HD12 ILE 6 3.418 2.418 -8.627 630 HD13 ILE 6 HD13 ILE 6 4.539 1.652 -7.501 631 H PHE 7 HN PHE 7 5.805 7.491 -8.966 632 HA PHE 7 HA PHE 7 6.582 8.438 -6.281 633 HB2 PHE 7 HB2 PHE 7 7.941 9.403 -8.145 634 HB3 PHE 7 HB1 PHE 7 6.463 10.073 -8.826 635 HD1 PHE 7 HD2 PHE 7 8.596 10.130 -5.789 636 HD2 PHE 7 HD1 PHE 7 5.695 12.163 -8.148 637 HE1 PHE 7 HE2 PHE 7 8.881 12.140 -4.401 638 HE2 PHE 7 HE1 PHE 7 5.978 14.177 -6.764 639 HZ PHE 7 HZ PHE 7 7.572 14.166 -4.887 640 H TYR 8 HN TYR 8 4.864 8.847 -5.054 641 HA TYR 8 HA TYR 8 2.337 9.548 -6.384 642 HB2 TYR 8 HB2 TYR 8 2.934 8.188 -3.771 643 HB3 TYR 8 HB1 TYR 8 1.373 8.948 -4.054 644 HD1 TYR 8 HD2 TYR 8 0.048 8.180 -6.103 645 HD2 TYR 8 HD1 TYR 8 3.338 6.003 -4.515 646 HE1 TYR 8 HE2 TYR 8 -0.748 6.160 -7.248 647 HE2 TYR 8 HE1 TYR 8 2.548 3.972 -5.656 648 HH TYR 8 HH TYR 8 0.548 3.039 -6.592 649 H HIS 9 HN HIS 9 1.486 11.492 -6.135 650 HA HIS 9 HA HIS 9 1.828 12.955 -3.675 651 HB2 HIS 9 HB2 HIS 9 2.810 14.941 -4.580 652 HB3 HIS 9 HB1 HIS 9 3.843 13.596 -5.043 653 HD2 HIS 9 HD2 HIS 9 3.733 12.915 -7.799 654 HE1 HIS 9 HE1 HIS 9 1.990 16.617 -8.867 655 HE2 HIS 9 HE2 HIS 9 3.396 14.674 -9.678 656 H ALA 10 HN ALA 10 0.475 14.992 -3.718 657 HA ALA 10 HA ALA 10 -1.806 14.619 -5.542 658 HB1 ALA 10 HB1 ALA 10 -3.302 15.254 -3.739 659 HB2 ALA 10 HB2 ALA 10 -1.931 15.468 -2.650 660 HB3 ALA 10 HB3 ALA 10 -2.327 13.863 -3.263 661 H GLY 11 HN GLY 11 0.668 16.508 -5.285 662 HA2 GLY 11 HA2 GLY 11 0.896 18.606 -6.319 663 HA3 GLY 11 HA1 GLY 11 -0.820 18.889 -6.070 664 H CYS 12 HN CYS 12 2.353 19.245 -4.796 665 HA CYS 12 HA CYS 12 1.598 21.418 -3.158 666 HB2 CYS 12 HB2 CYS 12 2.435 20.356 -0.982 667 HB3 CYS 12 HB1 CYS 12 0.824 19.900 -1.520 668 HG CYS 12 HG CYS 12 1.222 17.384 -1.552 669 HA PRO 13 HA PRO 13 5.752 22.633 -3.846 670 HB2 PRO 13 HB2 PRO 13 6.539 23.418 -1.282 671 HB3 PRO 13 HB1 PRO 13 5.727 24.433 -2.474 672 HG2 PRO 13 HG2 PRO 13 4.586 22.940 -0.160 673 HG3 PRO 13 HG1 PRO 13 4.130 24.525 -0.811 674 HD2 PRO 13 HD2 PRO 13 2.637 22.355 -1.274 675 HD3 PRO 13 HD1 PRO 13 2.870 23.592 -2.528 676 H VAL 14 HN VAL 14 5.182 20.434 -1.179 677 HA VAL 14 HA VAL 14 7.791 19.680 -0.558 678 HB VAL 14 HB VAL 14 5.370 17.869 -0.539 679 HG11 VAL 14 HG11 VAL 14 7.475 16.678 -0.246 680 HG12 VAL 14 HG12 VAL 14 6.550 16.692 1.255 681 HG13 VAL 14 HG13 VAL 14 7.927 17.777 1.057 682 HG21 VAL 14 HG21 VAL 14 6.375 19.740 1.602 683 HG22 VAL 14 HG22 VAL 14 5.056 18.584 1.782 684 HG23 VAL 14 HG23 VAL 14 4.897 19.936 0.660 685 H CYS 15 HN CYS 15 5.547 18.226 -2.930 686 HA CYS 15 HA CYS 15 7.509 16.292 -3.732 687 HB2 CYS 15 HB2 CYS 15 5.829 15.677 -5.473 688 HB3 CYS 15 HB1 CYS 15 5.214 15.621 -3.824 689 HG CYS 15 HG CYS 15 3.582 16.777 -6.132 690 H VAL 16 HN VAL 16 6.593 19.465 -4.761 691 HA VAL 16 HA VAL 16 7.537 19.444 -7.395 692 HB VAL 16 HB VAL 16 7.620 21.743 -5.428 693 HG11 VAL 16 HG11 VAL 16 9.046 22.159 -7.352 694 HG12 VAL 16 HG12 VAL 16 7.607 23.175 -7.421 695 HG13 VAL 16 HG13 VAL 16 7.725 21.743 -8.443 696 HG21 VAL 16 HG21 VAL 16 5.374 20.824 -5.673 697 HG22 VAL 16 HG22 VAL 16 5.501 20.960 -7.428 698 HG23 VAL 16 HG23 VAL 16 5.488 22.414 -6.429 699 H SER 17 HN SER 17 9.238 20.455 -4.422 700 HA SER 17 HA SER 17 11.758 20.733 -5.670 701 HB2 SER 17 HB2 SER 17 11.142 20.221 -2.751 702 HB3 SER 17 HB1 SER 17 12.649 20.867 -3.398 703 HG SER 17 HG SER 17 11.140 22.469 -2.580 704 H ALA 18 HN ALA 18 10.136 18.042 -4.104 705 HA ALA 18 HA ALA 18 12.342 16.308 -3.884 706 HB1 ALA 18 HB1 ALA 18 9.441 15.575 -4.264 707 HB2 ALA 18 HB2 ALA 18 10.206 15.953 -2.720 708 HB3 ALA 18 HB3 ALA 18 10.712 14.529 -3.630 709 H GLU 19 HN GLU 19 9.997 16.832 -6.472 710 HA GLU 19 HA GLU 19 10.868 14.797 -8.205 711 HB2 GLU 19 HB2 GLU 19 8.731 16.061 -8.408 712 HB3 GLU 19 HB1 GLU 19 9.647 17.472 -8.917 713 HG2 GLU 19 HG2 GLU 19 10.487 16.135 -10.847 714 HG3 GLU 19 HG1 GLU 19 9.368 14.857 -10.370 715 H GLN 20 HN GLN 20 11.853 18.165 -7.821 716 HA GLN 20 HA GLN 20 13.545 18.317 -10.062 717 HB2 GLN 20 HB2 GLN 20 13.653 19.854 -7.461 718 HB3 GLN 20 HB1 GLN 20 14.535 20.280 -8.921 719 HG2 GLN 20 HG2 GLN 20 12.473 20.670 -10.105 720 HG3 GLN 20 HG1 GLN 20 11.540 20.126 -8.711 721 HE21 GLN 20 HE21 GLN 20 11.516 22.682 -10.116 722 HE22 GLN 20 HE22 GLN 20 11.863 23.883 -8.921 723 H ALA 21 HN ALA 21 14.164 17.307 -6.729 724 HA ALA 21 HA ALA 21 17.004 17.021 -7.349 725 HB1 ALA 21 HB1 ALA 21 17.322 16.712 -4.963 726 HB2 ALA 21 HB2 ALA 21 15.574 16.716 -4.717 727 HB3 ALA 21 HB3 ALA 21 16.388 18.172 -5.290 728 H VAL 22 HN VAL 22 14.524 15.008 -5.730 729 HA VAL 22 HA VAL 22 16.230 12.740 -5.654 730 HB VAL 22 HB VAL 22 13.230 12.756 -5.305 731 HG11 VAL 22 HG11 VAL 22 15.358 10.901 -4.237 732 HG12 VAL 22 HG12 VAL 22 14.226 10.535 -5.540 733 HG13 VAL 22 HG13 VAL 22 13.629 10.796 -3.902 734 HG21 VAL 22 HG21 VAL 22 14.261 14.444 -3.864 735 HG22 VAL 22 HG22 VAL 22 15.373 13.230 -3.233 736 HG23 VAL 22 HG23 VAL 22 13.643 13.088 -2.920 737 H ALA 23 HN ALA 23 13.492 13.622 -7.748 738 HA ALA 23 HA ALA 23 13.480 11.121 -9.125 739 HB1 ALA 23 HB1 ALA 23 12.245 13.750 -9.929 740 HB2 ALA 23 HB2 ALA 23 11.470 12.488 -8.971 741 HB3 ALA 23 HB3 ALA 23 11.902 12.179 -10.653 742 H ASN 24 HN ASN 24 15.531 13.786 -9.288 743 HA ASN 24 HA ASN 24 16.396 13.059 -12.001 744 HB2 ASN 24 HB2 ASN 24 16.743 15.537 -10.347 745 HB3 ASN 24 HB1 ASN 24 17.883 15.179 -11.640 746 HD21 ASN 24 HD21 ASN 24 14.576 15.983 -10.870 747 HD22 ASN 24 HD22 ASN 24 14.116 16.434 -12.471 748 H ALA 25 HN ALA 25 17.055 12.457 -8.806 749 HA ALA 25 HA ALA 25 19.921 12.195 -9.026 750 HB1 ALA 25 HB1 ALA 25 18.051 11.209 -6.870 751 HB2 ALA 25 HB2 ALA 25 18.874 12.769 -6.881 752 HB3 ALA 25 HB3 ALA 25 19.811 11.278 -6.773 753 H ILE 26 HN ILE 26 17.095 10.111 -9.105 754 HA ILE 26 HA ILE 26 18.684 7.722 -9.494 755 HB ILE 26 HB ILE 26 15.692 8.121 -9.714 756 HG12 ILE 26 HG12 ILE 26 17.385 7.009 -7.462 757 HG13 ILE 26 HG11 ILE 26 16.555 8.561 -7.454 758 HG21 ILE 26 HG21 ILE 26 17.319 5.585 -9.577 759 HG22 ILE 26 HG22 ILE 26 16.454 6.191 -10.990 760 HG23 ILE 26 HG23 ILE 26 15.557 5.680 -9.559 761 HD11 ILE 26 HD11 ILE 26 15.226 5.865 -7.597 762 HD12 ILE 26 HD12 ILE 26 14.409 7.428 -7.536 763 HD13 ILE 26 HD13 ILE 26 15.364 6.877 -6.160 764 H ASP 27 HN ASP 27 19.121 6.763 -11.424 765 HA ASP 27 HA ASP 27 18.699 8.411 -13.775 766 HB2 ASP 27 HB2 ASP 27 20.920 7.334 -13.190 767 HB3 ASP 27 HB1 ASP 27 20.194 5.788 -13.625 768 HA PRO 28 HA PRO 28 15.044 6.233 -14.991 769 HB2 PRO 28 HB2 PRO 28 15.036 7.075 -17.610 770 HB3 PRO 28 HB1 PRO 28 14.443 8.034 -16.249 771 HG2 PRO 28 HG2 PRO 28 17.089 8.145 -17.641 772 HG3 PRO 28 HG1 PRO 28 16.064 9.478 -17.074 773 HD2 PRO 28 HD2 PRO 28 18.227 8.688 -15.701 774 HD3 PRO 28 HD1 PRO 28 16.754 9.231 -14.872 775 H SER 29 HN SER 29 18.152 5.743 -16.470 776 HA SER 29 HA SER 29 17.387 3.747 -18.340 777 HB2 SER 29 HB2 SER 29 19.555 4.959 -18.436 778 HB3 SER 29 HB1 SER 29 20.063 4.132 -16.965 779 HG SER 29 HG SER 29 19.420 2.919 -19.460 780 H LYS 30 HN LYS 30 17.887 3.762 -14.927 781 HA LYS 30 HA LYS 30 17.839 0.826 -14.867 782 HB2 LYS 30 HB2 LYS 30 18.871 2.860 -12.902 783 HB3 LYS 30 HB1 LYS 30 18.579 1.187 -12.439 784 HG2 LYS 30 HG2 LYS 30 20.172 0.397 -14.040 785 HG3 LYS 30 HG1 LYS 30 20.364 2.013 -14.715 786 HD2 LYS 30 HD2 LYS 30 21.003 1.390 -11.844 787 HD3 LYS 30 HD1 LYS 30 22.184 1.181 -13.138 788 HE2 LYS 30 HE2 LYS 30 21.678 3.605 -13.758 789 HE3 LYS 30 HE1 LYS 30 20.874 3.715 -12.193 790 HZ1 LYS 30 HZ1 LYS 30 23.242 4.434 -12.199 791 HZ2 LYS 30 HZ2 LYS 30 23.686 2.843 -12.541 792 HZ3 LYS 30 HZ3 LYS 30 22.901 3.207 -11.079 793 H TYR 31 HN TYR 31 16.197 3.710 -13.701 794 HA TYR 31 HA TYR 31 14.014 1.959 -12.794 795 HB2 TYR 31 HB2 TYR 31 15.203 4.322 -11.356 796 HB3 TYR 31 HB1 TYR 31 13.561 3.780 -11.035 797 HD1 TYR 31 HD2 TYR 31 17.114 2.692 -10.959 798 HD2 TYR 31 HD1 TYR 31 13.151 1.976 -9.588 799 HE1 TYR 31 HE2 TYR 31 17.973 1.038 -9.356 800 HE2 TYR 31 HE1 TYR 31 14.000 0.321 -7.982 801 HH TYR 31 HH TYR 31 15.926 -1.102 -7.650 802 H THR 32 HN THR 32 12.120 2.412 -13.720 803 HA THR 32 HA THR 32 11.861 4.878 -15.230 804 HB THR 32 HB THR 32 11.071 2.813 -16.288 805 HG1 THR 32 HG1 THR 32 8.616 3.810 -16.186 806 HG21 THR 32 HG21 THR 32 9.016 2.711 -14.075 807 HG22 THR 32 HG22 THR 32 10.344 1.574 -14.310 808 HG23 THR 32 HG23 THR 32 9.048 1.675 -15.501 809 H VAL 33 HN VAL 33 10.970 6.643 -14.446 810 HA VAL 33 HA VAL 33 9.847 6.586 -11.780 811 HB VAL 33 HB VAL 33 10.289 8.972 -13.584 812 HG11 VAL 33 HG11 VAL 33 10.210 10.262 -11.497 813 HG12 VAL 33 HG12 VAL 33 9.846 8.785 -10.606 814 HG13 VAL 33 HG13 VAL 33 8.698 9.404 -11.793 815 HG21 VAL 33 HG21 VAL 33 12.355 9.338 -12.327 816 HG22 VAL 33 HG22 VAL 33 12.387 7.788 -13.171 817 HG23 VAL 33 HG23 VAL 33 12.081 7.842 -11.435 818 H GLU 34 HN GLU 34 7.806 5.929 -11.685 819 HA GLU 34 HA GLU 34 5.878 6.914 -13.660 820 HB2 GLU 34 HB2 GLU 34 5.567 4.775 -11.541 821 HB3 GLU 34 HB1 GLU 34 4.369 5.196 -12.758 822 HG2 GLU 34 HG2 GLU 34 5.889 4.483 -14.520 823 HG3 GLU 34 HG1 GLU 34 7.111 4.086 -13.315 824 H ILE 35 HN ILE 35 5.451 8.974 -12.996 825 HA ILE 35 HA ILE 35 4.864 9.521 -10.212 826 HB ILE 35 HB ILE 35 4.858 11.343 -12.625 827 HG12 ILE 35 HG12 ILE 35 6.812 11.056 -10.329 828 HG13 ILE 35 HG11 ILE 35 7.081 10.501 -11.978 829 HG21 ILE 35 HG21 ILE 35 4.514 12.008 -9.702 830 HG22 ILE 35 HG22 ILE 35 3.290 12.158 -10.963 831 HG23 ILE 35 HG23 ILE 35 4.722 13.185 -10.999 832 HD11 ILE 35 HD11 ILE 35 6.717 13.364 -11.118 833 HD12 ILE 35 HD12 ILE 35 7.004 12.805 -12.767 834 HD13 ILE 35 HD13 ILE 35 8.245 12.586 -11.533 835 H VAL 36 HN VAL 36 2.913 9.356 -9.368 836 HA VAL 36 HA VAL 36 0.584 9.453 -11.175 837 HB VAL 36 HB VAL 36 0.792 7.990 -8.536 838 HG11 VAL 36 HG11 VAL 36 -1.363 7.006 -9.167 839 HG12 VAL 36 HG12 VAL 36 -1.397 8.017 -10.611 840 HG13 VAL 36 HG13 VAL 36 -1.467 8.760 -9.013 841 HG21 VAL 36 HG21 VAL 36 2.162 6.909 -10.230 842 HG22 VAL 36 HG22 VAL 36 0.802 6.909 -11.352 843 HG23 VAL 36 HG23 VAL 36 0.732 5.937 -9.881 844 H HIS 37 HN HIS 37 -0.761 11.071 -10.883 845 HA HIS 37 HA HIS 37 -0.436 12.819 -8.579 846 HB2 HIS 37 HB2 HIS 37 -0.648 13.556 -11.058 847 HB3 HIS 37 HB1 HIS 37 -2.365 13.235 -10.853 848 HD2 HIS 37 HD2 HIS 37 -0.048 16.095 -10.618 849 HE1 HIS 37 HE1 HIS 37 -3.202 16.987 -7.948 850 HE2 HIS 37 HE2 HIS 37 -1.371 17.966 -9.402 851 H LEU 38 HN LEU 38 -1.526 12.247 -6.818 852 HA LEU 38 HA LEU 38 -3.911 10.631 -6.966 853 HB2 LEU 38 HB2 LEU 38 -2.398 11.815 -4.644 854 HB3 LEU 38 HB1 LEU 38 -3.834 10.826 -4.459 855 HG LEU 38 HG LEU 38 -1.268 9.901 -5.760 856 HD11 LEU 38 HD11 LEU 38 -0.946 8.570 -3.752 857 HD12 LEU 38 HD12 LEU 38 -2.401 9.271 -3.041 858 HD13 LEU 38 HD13 LEU 38 -0.997 10.290 -3.360 859 HD21 LEU 38 HD21 LEU 38 -3.757 8.396 -4.968 860 HD22 LEU 38 HD22 LEU 38 -2.280 7.685 -5.622 861 HD23 LEU 38 HD23 LEU 38 -3.252 8.768 -6.618 862 H GLY 39 HN GLY 39 -3.340 13.910 -7.166 863 HA2 GLY 39 HA2 GLY 39 -5.827 14.738 -5.914 864 HA3 GLY 39 HA1 GLY 39 -4.717 15.765 -6.818 865 H THR 40 HN THR 40 -4.529 14.146 -9.112 866 HA THR 40 HA THR 40 -6.919 14.791 -10.526 867 HB THR 40 HB THR 40 -4.554 13.082 -11.332 868 HG1 THR 40 HG1 THR 40 -3.841 14.972 -12.352 869 HG21 THR 40 HG21 THR 40 -5.308 13.444 -13.637 870 HG22 THR 40 HG22 THR 40 -6.739 14.284 -13.038 871 HG23 THR 40 HG23 THR 40 -6.514 12.567 -12.695 872 H ASP 41 HN ASP 41 -5.451 11.786 -9.330 873 HA ASP 41 HA ASP 41 -8.052 10.468 -9.749 874 HB2 ASP 41 HB2 ASP 41 -6.264 9.701 -11.344 875 HB3 ASP 41 HB1 ASP 41 -5.366 9.104 -9.951 876 H LYS 42 HN LYS 42 -8.887 10.387 -7.773 877 HA LYS 42 HA LYS 42 -7.184 9.863 -5.479 878 HB2 LYS 42 HB2 LYS 42 -10.111 10.560 -5.714 879 HB3 LYS 42 HB1 LYS 42 -9.308 10.236 -4.182 880 HG2 LYS 42 HG2 LYS 42 -7.745 12.087 -4.653 881 HG3 LYS 42 HG1 LYS 42 -8.652 12.441 -6.122 882 HD2 LYS 42 HD2 LYS 42 -10.618 12.973 -4.841 883 HD3 LYS 42 HD1 LYS 42 -9.829 12.457 -3.345 884 HE2 LYS 42 HE2 LYS 42 -8.168 14.237 -3.614 885 HE3 LYS 42 HE1 LYS 42 -8.957 14.749 -5.103 886 HZ1 LYS 42 HZ1 LYS 42 -9.544 16.084 -3.116 887 HZ2 LYS 42 HZ2 LYS 42 -10.300 14.719 -2.453 888 HZ3 LYS 42 HZ3 LYS 42 -10.881 15.399 -3.895 889 H ALA 43 HN ALA 43 -8.449 7.927 -7.704 890 HA ALA 43 HA ALA 43 -9.548 5.883 -5.966 891 HB1 ALA 43 HB1 ALA 43 -10.419 6.167 -8.250 892 HB2 ALA 43 HB2 ALA 43 -9.768 4.549 -7.990 893 HB3 ALA 43 HB3 ALA 43 -8.836 5.739 -8.897 894 H ARG 44 HN ARG 44 -6.564 6.679 -7.589 895 HA ARG 44 HA ARG 44 -5.154 4.286 -7.090 896 HB2 ARG 44 HB2 ARG 44 -4.154 7.122 -7.396 897 HB3 ARG 44 HB1 ARG 44 -3.111 5.709 -7.352 898 HG2 ARG 44 HG2 ARG 44 -5.245 6.248 -9.408 899 HG3 ARG 44 HG1 ARG 44 -3.510 6.482 -9.632 900 HD2 ARG 44 HD2 ARG 44 -4.919 3.872 -9.083 901 HD3 ARG 44 HD1 ARG 44 -4.205 4.378 -10.613 902 HE ARG 44 HE ARG 44 -2.080 4.496 -9.045 903 HH11 ARG 44 HH11 ARG 44 -4.570 2.037 -9.208 904 HH12 ARG 44 HH12 ARG 44 -3.502 0.747 -8.719 905 HH21 ARG 44 HH21 ARG 44 -0.676 2.815 -8.402 906 HH22 ARG 44 HH22 ARG 44 -1.282 1.191 -8.289 907 H ILE 45 HN ILE 45 -6.130 6.841 -5.020 908 HA ILE 45 HA ILE 45 -4.224 6.626 -2.966 909 HB ILE 45 HB ILE 45 -7.152 7.370 -2.807 910 HG12 ILE 45 HG12 ILE 45 -4.638 9.052 -2.918 911 HG13 ILE 45 HG11 ILE 45 -5.811 8.859 -4.214 912 HG21 ILE 45 HG21 ILE 45 -6.358 6.638 -0.622 913 HG22 ILE 45 HG22 ILE 45 -6.629 8.382 -0.641 914 HG23 ILE 45 HG23 ILE 45 -4.988 7.743 -0.739 915 HD11 ILE 45 HD11 ILE 45 -7.503 9.963 -2.857 916 HD12 ILE 45 HD12 ILE 45 -6.081 10.985 -3.064 917 HD13 ILE 45 HD13 ILE 45 -6.342 10.136 -1.541 918 H ALA 46 HN ALA 46 -7.131 4.781 -3.693 919 HA ALA 46 HA ALA 46 -7.227 3.255 -1.327 920 HB1 ALA 46 HB1 ALA 46 -8.153 2.480 -4.093 921 HB2 ALA 46 HB2 ALA 46 -9.097 3.384 -2.908 922 HB3 ALA 46 HB3 ALA 46 -8.635 1.713 -2.580 923 H GLU 47 HN GLU 47 -5.488 2.851 -4.359 924 HA GLU 47 HA GLU 47 -4.476 0.256 -3.920 925 HB2 GLU 47 HB2 GLU 47 -4.437 1.586 -6.083 926 HB3 GLU 47 HB1 GLU 47 -3.081 2.481 -5.413 927 HG2 GLU 47 HG2 GLU 47 -1.960 0.915 -6.614 928 HG3 GLU 47 HG1 GLU 47 -2.089 0.068 -5.072 929 H ALA 48 HN ALA 48 -3.155 3.469 -3.237 930 HA ALA 48 HA ALA 48 -0.720 2.661 -2.093 931 HB1 ALA 48 HB1 ALA 48 -2.349 5.132 -1.503 932 HB2 ALA 48 HB2 ALA 48 -1.178 4.958 -2.808 933 HB3 ALA 48 HB3 ALA 48 -0.641 4.901 -1.131 934 H GLU 49 HN GLU 49 -3.925 3.122 -0.741 935 HA GLU 49 HA GLU 49 -3.271 2.853 1.984 936 HB2 GLU 49 HB2 GLU 49 -5.463 3.626 0.757 937 HB3 GLU 49 HB1 GLU 49 -5.893 1.926 0.855 938 HG2 GLU 49 HG2 GLU 49 -5.043 3.386 3.314 939 HG3 GLU 49 HG1 GLU 49 -6.676 3.589 2.686 940 H LYS 50 HN LYS 50 -4.083 0.491 -0.522 941 HA LYS 50 HA LYS 50 -4.230 -1.824 1.050 942 HB2 LYS 50 HB2 LYS 50 -3.088 -1.615 -1.745 943 HB3 LYS 50 HB1 LYS 50 -3.707 -3.069 -0.979 944 HG2 LYS 50 HG2 LYS 50 -5.942 -2.211 -1.018 945 HG3 LYS 50 HG1 LYS 50 -5.375 -0.642 -1.601 946 HD2 LYS 50 HD2 LYS 50 -4.434 -1.877 -3.601 947 HD3 LYS 50 HD1 LYS 50 -5.344 -3.283 -3.045 948 HE2 LYS 50 HE2 LYS 50 -7.419 -2.126 -3.301 949 HE3 LYS 50 HE1 LYS 50 -6.589 -0.600 -3.615 950 HZ1 LYS 50 HZ1 LYS 50 -5.594 -1.740 -5.604 951 HZ2 LYS 50 HZ2 LYS 50 -7.255 -1.428 -5.698 952 HZ3 LYS 50 HZ3 LYS 50 -6.710 -2.996 -5.357 953 H ALA 51 HN ALA 51 -1.464 -0.429 -0.678 954 HA ALA 51 HA ALA 51 0.411 -2.372 0.133 955 HB1 ALA 51 HB1 ALA 51 2.101 -0.832 -0.712 956 HB2 ALA 51 HB2 ALA 51 0.906 0.464 -0.769 957 HB3 ALA 51 HB3 ALA 51 0.736 -0.940 -1.824 958 H GLY 52 HN GLY 52 -0.353 0.846 1.414 959 HA2 GLY 52 HA2 GLY 52 -0.302 0.964 3.900 960 HA3 GLY 52 HA1 GLY 52 1.245 0.140 3.797 961 H VAL 53 HN VAL 53 0.213 2.689 1.616 962 HA VAL 53 HA VAL 53 2.526 4.265 2.309 963 HB VAL 53 HB VAL 53 0.229 4.931 0.455 964 HG11 VAL 53 HG11 VAL 53 1.755 6.605 -0.489 965 HG12 VAL 53 HG12 VAL 53 2.951 6.202 0.743 966 HG13 VAL 53 HG13 VAL 53 1.412 6.923 1.212 967 HG21 VAL 53 HG21 VAL 53 2.959 3.796 -0.146 968 HG22 VAL 53 HG22 VAL 53 1.768 4.293 -1.348 969 HG23 VAL 53 HG23 VAL 53 1.423 2.938 -0.274 970 H LYS 54 HN LYS 54 2.568 5.604 3.964 971 HA LYS 54 HA LYS 54 0.126 6.188 5.390 972 HB2 LYS 54 HB2 LYS 54 2.120 5.466 6.612 973 HB3 LYS 54 HB1 LYS 54 3.004 6.869 6.025 974 HG2 LYS 54 HG2 LYS 54 1.469 8.337 7.236 975 HG3 LYS 54 HG1 LYS 54 0.595 6.925 7.831 976 HD2 LYS 54 HD2 LYS 54 2.616 6.153 8.970 977 HD3 LYS 54 HD1 LYS 54 3.497 7.560 8.368 978 HE2 LYS 54 HE2 LYS 54 2.014 9.040 9.598 979 HE3 LYS 54 HE1 LYS 54 1.065 7.661 10.149 980 HZ1 LYS 54 HZ1 LYS 54 3.875 8.301 10.857 981 HZ2 LYS 54 HZ2 LYS 54 3.120 6.832 11.242 982 HZ3 LYS 54 HZ3 LYS 54 2.528 8.284 11.890 983 H SER 55 HN SER 55 2.421 7.906 3.388 984 HA SER 55 HA SER 55 0.705 10.258 3.506 985 HB2 SER 55 HB2 SER 55 3.679 10.407 4.069 986 HB3 SER 55 HB1 SER 55 2.566 11.771 3.978 987 HG SER 55 HG SER 55 1.540 10.067 5.707 988 H VAL 56 HN VAL 56 0.858 11.611 1.709 989 HA VAL 56 HA VAL 56 2.158 10.510 -0.616 990 HB VAL 56 HB VAL 56 1.258 12.575 -1.773 991 HG11 VAL 56 HG11 VAL 56 -0.695 10.797 -0.320 992 HG12 VAL 56 HG12 VAL 56 0.121 10.425 -1.838 993 HG13 VAL 56 HG13 VAL 56 -1.043 11.747 -1.765 994 HG21 VAL 56 HG21 VAL 56 1.082 14.005 0.215 995 HG22 VAL 56 HG22 VAL 56 -0.178 12.944 0.848 996 HG23 VAL 56 HG23 VAL 56 -0.456 13.856 -0.637 997 HA PRO 57 HA PRO 57 5.027 12.896 -2.668 998 HB2 PRO 57 HB2 PRO 57 5.645 14.522 -0.216 999 HB3 PRO 57 HB1 PRO 57 6.189 14.780 -1.884 1000 HG2 PRO 57 HG2 PRO 57 3.868 15.879 -0.777 1001 HG3 PRO 57 HG1 PRO 57 4.190 15.708 -2.511 1002 HD2 PRO 57 HD2 PRO 57 2.130 14.413 -1.081 1003 HD3 PRO 57 HD1 PRO 57 2.713 13.950 -2.701 1004 H ALA 58 HN ALA 58 5.316 10.695 -2.410 1005 HA ALA 58 HA ALA 58 7.622 10.022 -0.762 1006 HB1 ALA 58 HB1 ALA 58 6.622 7.930 -0.004 1007 HB2 ALA 58 HB2 ALA 58 5.112 8.343 -0.815 1008 HB3 ALA 58 HB3 ALA 58 5.670 9.306 0.553 1009 H LEU 59 HN LEU 59 8.756 8.148 -1.572 1010 HA LEU 59 HA LEU 59 8.191 7.663 -4.426 1011 HB2 LEU 59 HB2 LEU 59 10.255 8.931 -3.997 1012 HB3 LEU 59 HB1 LEU 59 10.835 7.639 -2.964 1013 HG LEU 59 HG LEU 59 10.849 6.122 -4.938 1014 HD11 LEU 59 HD11 LEU 59 10.250 8.650 -6.467 1015 HD12 LEU 59 HD12 LEU 59 9.169 7.268 -6.285 1016 HD13 LEU 59 HD13 LEU 59 10.684 7.094 -7.172 1017 HD21 LEU 59 HD21 LEU 59 12.883 7.250 -4.218 1018 HD22 LEU 59 HD22 LEU 59 12.472 8.650 -5.210 1019 HD23 LEU 59 HD23 LEU 59 12.837 7.103 -5.974 1020 H VAL 60 HN VAL 60 7.597 5.668 -4.912 1021 HA VAL 60 HA VAL 60 8.172 3.494 -3.030 1022 HB VAL 60 HB VAL 60 6.284 3.503 -5.394 1023 HG11 VAL 60 HG11 VAL 60 6.611 1.530 -3.135 1024 HG12 VAL 60 HG12 VAL 60 7.068 1.271 -4.818 1025 HG13 VAL 60 HG13 VAL 60 5.369 1.464 -4.385 1026 HG21 VAL 60 HG21 VAL 60 5.700 3.846 -2.454 1027 HG22 VAL 60 HG22 VAL 60 4.490 3.655 -3.722 1028 HG23 VAL 60 HG23 VAL 60 5.532 5.077 -3.706 1029 H ILE 61 HN ILE 61 10.109 2.649 -3.460 1030 HA ILE 61 HA ILE 61 10.997 2.362 -6.227 1031 HB ILE 61 HB ILE 61 12.466 1.883 -3.628 1032 HG12 ILE 61 HG12 ILE 61 12.684 4.090 -5.687 1033 HG13 ILE 61 HG11 ILE 61 11.986 4.243 -4.079 1034 HG21 ILE 61 HG21 ILE 61 14.483 1.695 -5.022 1035 HG22 ILE 61 HG22 ILE 61 13.475 1.773 -6.467 1036 HG23 ILE 61 HG23 ILE 61 13.321 0.412 -5.358 1037 HD11 ILE 61 HD11 ILE 61 14.861 3.619 -4.698 1038 HD12 ILE 61 HD12 ILE 61 14.162 3.774 -3.087 1039 HD13 ILE 61 HD13 ILE 61 14.223 5.172 -4.161 1040 H ASP 62 HN ASP 62 10.233 0.645 -7.202 1041 HA ASP 62 HA ASP 62 9.836 -1.492 -7.800 1042 HB2 ASP 62 HB2 ASP 62 12.155 -1.901 -7.119 1043 HB3 ASP 62 HB1 ASP 62 11.619 -2.214 -5.472 1044 H GLY 63 HN GLY 63 9.960 -1.743 -4.269 1045 HA2 GLY 63 HA2 GLY 63 7.080 -2.134 -4.161 1046 HA3 GLY 63 HA1 GLY 63 8.050 -3.521 -3.686 1047 H ALA 64 HN ALA 64 9.560 -0.572 -2.982 1048 HA ALA 64 HA ALA 64 8.681 -0.773 -0.175 1049 HB1 ALA 64 HB1 ALA 64 11.416 -0.016 -1.206 1050 HB2 ALA 64 HB2 ALA 64 10.976 -1.555 -0.464 1051 HB3 ALA 64 HB3 ALA 64 10.924 -0.073 0.488 1052 H ALA 65 HN ALA 65 7.921 1.030 0.754 1053 HA ALA 65 HA ALA 65 7.756 3.417 -0.908 1054 HB1 ALA 65 HB1 ALA 65 6.342 2.775 1.677 1055 HB2 ALA 65 HB2 ALA 65 5.693 2.509 0.058 1056 HB3 ALA 65 HB3 ALA 65 6.017 4.149 0.620 1057 H PHE 66 HN PHE 66 9.141 5.005 -0.656 1058 HA PHE 66 HA PHE 66 10.260 5.509 2.025 1059 HB2 PHE 66 HB2 PHE 66 11.480 6.110 -0.681 1060 HB3 PHE 66 HB1 PHE 66 12.189 6.548 0.870 1061 HD1 PHE 66 HD2 PHE 66 12.854 4.700 2.451 1062 HD2 PHE 66 HD1 PHE 66 11.829 3.992 -1.618 1063 HE1 PHE 66 HE2 PHE 66 13.995 2.524 2.547 1064 HE2 PHE 66 HE1 PHE 66 12.972 1.814 -1.527 1065 HZ PHE 66 HZ PHE 66 14.055 1.078 0.557 1066 H HIS 67 HN HIS 67 9.015 7.066 2.861 1067 HA HIS 67 HA HIS 67 7.720 9.082 1.334 1068 HB2 HIS 67 HB2 HIS 67 8.295 8.966 4.308 1069 HB3 HIS 67 HB1 HIS 67 7.199 10.104 3.533 1070 HD1 HIS 67 HD1 HIS 67 7.451 6.530 4.630 1071 HD2 HIS 67 HD2 HIS 67 4.740 9.049 2.737 1072 HE1 HIS 67 HE1 HIS 67 5.225 5.328 4.652 1073 H ILE 68 HN ILE 68 8.523 10.918 0.541 1074 HA ILE 68 HA ILE 68 11.235 11.698 1.303 1075 HB ILE 68 HB ILE 68 9.502 12.823 -0.906 1076 HG12 ILE 68 HG12 ILE 68 11.709 10.756 -1.066 1077 HG13 ILE 68 HG11 ILE 68 9.990 10.418 -1.233 1078 HG21 ILE 68 HG21 ILE 68 11.254 14.343 -0.172 1079 HG22 ILE 68 HG22 ILE 68 11.620 13.709 -1.776 1080 HG23 ILE 68 HG23 ILE 68 12.461 13.070 -0.364 1081 HD11 ILE 68 HD11 ILE 68 9.918 11.824 -3.233 1082 HD12 ILE 68 HD12 ILE 68 11.071 10.499 -3.395 1083 HD13 ILE 68 HD13 ILE 68 11.647 12.134 -3.067 1084 H ASN 69 HN ASN 69 11.250 12.915 3.078 1085 HA ASN 69 HA ASN 69 10.675 14.429 4.675 1086 HB2 ASN 69 HB2 ASN 69 9.549 15.848 2.248 1087 HB3 ASN 69 HB1 ASN 69 9.502 16.551 3.860 1088 HD21 ASN 69 HD21 ASN 69 10.892 17.403 1.388 1089 HD22 ASN 69 HD22 ASN 69 12.556 17.547 1.839 1090 H PHE 70 HN PHE 70 8.278 15.926 5.021 1091 HA PHE 70 HA PHE 70 6.297 13.763 5.064 1092 HB2 PHE 70 HB2 PHE 70 6.810 14.815 7.254 1093 HB3 PHE 70 HB1 PHE 70 6.289 16.369 6.610 1094 HD1 PHE 70 HD2 PHE 70 5.136 12.958 7.462 1095 HD2 PHE 70 HD1 PHE 70 4.011 16.964 6.572 1096 HE1 PHE 70 HE2 PHE 70 2.825 12.456 8.138 1097 HE2 PHE 70 HE1 PHE 70 1.698 16.468 7.246 1098 HZ PHE 70 HZ PHE 70 1.103 14.212 8.030 1099 H GLY 71 HN GLY 71 5.397 13.861 3.048 1100 HA2 GLY 71 HA2 GLY 71 4.688 16.313 1.786 1101 HA3 GLY 71 HA1 GLY 71 4.151 14.702 1.314 1102 H ALA 72 HN ALA 72 2.217 13.912 2.052 1103 HA ALA 72 HA ALA 72 0.822 15.524 4.071 1104 HB1 ALA 72 HB1 ALA 72 -1.242 15.684 2.856 1105 HB2 ALA 72 HB2 ALA 72 -0.561 14.787 1.502 1106 HB3 ALA 72 HB3 ALA 72 0.053 16.392 1.891 1107 H GLY 73 HN GLY 73 -0.140 14.309 5.573 1108 HA2 GLY 73 HA2 GLY 73 0.089 11.495 5.551 1109 HA3 GLY 73 HA1 GLY 73 -0.905 12.428 6.662 1110 H ILE 74 HN ILE 74 -1.295 9.864 4.962 1111 HA ILE 74 HA ILE 74 -3.290 10.522 3.049 1112 HB ILE 74 HB ILE 74 -1.946 8.392 3.044 1113 HG12 ILE 74 HG12 ILE 74 -4.932 7.927 2.969 1114 HG13 ILE 74 HG11 ILE 74 -4.060 8.799 1.714 1115 HG21 ILE 74 HG21 ILE 74 -2.159 7.798 5.389 1116 HG22 ILE 74 HG22 ILE 74 -2.777 6.502 4.366 1117 HG23 ILE 74 HG23 ILE 74 -3.898 7.583 5.194 1118 HD11 ILE 74 HD11 ILE 74 -4.451 6.504 1.060 1119 HD12 ILE 74 HD12 ILE 74 -3.625 5.927 2.508 1120 HD13 ILE 74 HD13 ILE 74 -2.725 6.798 1.264 1121 H ASP 75 HN ASP 75 -3.341 9.940 6.464 1122 HA ASP 75 HA ASP 75 -6.170 9.717 6.738 1123 HB2 ASP 75 HB2 ASP 75 -5.595 10.533 9.150 1124 HB3 ASP 75 HB1 ASP 75 -5.053 8.944 8.625 1125 H ASP 76 HN ASP 76 -3.881 12.365 6.737 1126 HA ASP 76 HA ASP 76 -5.695 14.448 7.343 1127 HB2 ASP 76 HB2 ASP 76 -3.356 14.851 7.589 1128 HB3 ASP 76 HB1 ASP 76 -3.027 14.370 5.931 1129 H LEU 77 HN LEU 77 -4.940 12.719 4.431 1130 HA LEU 77 HA LEU 77 -6.320 14.580 2.694 1131 HB2 LEU 77 HB2 LEU 77 -5.259 11.807 2.146 1132 HB3 LEU 77 HB1 LEU 77 -5.849 12.929 0.936 1133 HG LEU 77 HG LEU 77 -3.433 13.408 2.682 1134 HD11 LEU 77 HD11 LEU 77 -3.634 12.525 -0.192 1135 HD12 LEU 77 HD12 LEU 77 -3.047 11.560 1.163 1136 HD13 LEU 77 HD13 LEU 77 -2.147 12.984 0.638 1137 HD21 LEU 77 HD21 LEU 77 -2.977 15.239 1.129 1138 HD22 LEU 77 HD22 LEU 77 -4.525 15.465 1.943 1139 HD23 LEU 77 HD23 LEU 77 -4.481 14.896 0.273 1140 H LYS 78 HN LYS 78 -6.791 11.175 3.623 1141 HA LYS 78 HA LYS 78 -9.327 10.992 2.321 1142 HB2 LYS 78 HB2 LYS 78 -7.822 9.067 2.546 1143 HB3 LYS 78 HB1 LYS 78 -7.981 9.134 4.294 1144 HG2 LYS 78 HG2 LYS 78 -10.325 8.548 4.136 1145 HG3 LYS 78 HG1 LYS 78 -10.232 8.569 2.373 1146 HD2 LYS 78 HD2 LYS 78 -8.592 6.743 2.448 1147 HD3 LYS 78 HD1 LYS 78 -8.702 6.721 4.208 1148 HE2 LYS 78 HE2 LYS 78 -11.021 6.225 2.345 1149 HE3 LYS 78 HE1 LYS 78 -10.045 4.954 3.080 1150 HZ1 LYS 78 HZ1 LYS 78 -12.031 5.284 4.357 1151 HZ2 LYS 78 HZ2 LYS 78 -11.726 6.945 4.510 1152 HZ3 LYS 78 HZ3 LYS 78 -10.707 5.822 5.270 1153 H GLY 79 HN GLY 79 -8.279 11.507 5.642 1154 HA2 GLY 79 HA2 GLY 79 -9.560 12.432 7.371 1155 HA3 GLY 79 HA1 GLY 79 -11.007 12.196 6.396 1156 H SER 80 HN SER 80 -8.449 10.080 7.690 1157 HA SER 80 HA SER 80 -10.421 8.556 9.171 1158 HB2 SER 80 HB2 SER 80 -8.734 7.227 7.033 1159 HB3 SER 80 HB1 SER 80 -9.868 6.425 8.117 1160 HG SER 80 HG SER 80 -11.228 8.337 6.959 Start of MODEL 13 1 H1 VAL 1 HT1 VAL 1 33.029 17.942 -8.990 2 H2 VAL 1 HT2 VAL 1 34.397 17.347 -9.795 3 H3 VAL 1 HT3 VAL 1 33.255 16.270 -9.152 4 HA VAL 1 HA VAL 1 32.830 18.153 -11.402 5 HB VAL 1 HB VAL 1 32.777 15.125 -11.359 6 HG11 VAL 1 HG11 VAL 1 32.574 17.082 -13.645 7 HG12 VAL 1 HG12 VAL 1 31.270 16.078 -13.010 8 HG13 VAL 1 HG13 VAL 1 32.656 15.327 -13.802 9 HG21 VAL 1 HG21 VAL 1 34.839 15.237 -12.679 10 HG22 VAL 1 HG22 VAL 1 35.052 15.939 -11.074 11 HG23 VAL 1 HG23 VAL 1 34.866 16.989 -12.479 12 H ALA 2 HN ALA 2 31.415 15.369 -9.687 13 HA ALA 2 HA ALA 2 28.752 16.527 -10.093 14 HB1 ALA 2 HB1 ALA 2 27.898 14.343 -9.391 15 HB2 ALA 2 HB2 ALA 2 29.544 13.787 -9.088 16 HB3 ALA 2 HB3 ALA 2 29.031 14.170 -10.731 17 H SER 3 HN SER 3 27.481 17.129 -8.347 18 HA SER 3 HA SER 3 28.845 17.898 -5.991 19 HB2 SER 3 HB2 SER 3 26.428 18.360 -5.194 20 HB3 SER 3 HB1 SER 3 27.039 19.277 -6.570 21 HG SER 3 HG SER 3 25.013 18.521 -7.088 22 H LYS 4 HN LYS 4 28.666 17.093 -3.885 23 HA LYS 4 HA LYS 4 28.281 14.229 -3.861 24 HB2 LYS 4 HB2 LYS 4 29.305 14.315 -1.614 25 HB3 LYS 4 HB1 LYS 4 30.311 15.036 -2.859 26 HG2 LYS 4 HG2 LYS 4 29.572 17.267 -2.124 27 HG3 LYS 4 HG1 LYS 4 28.636 16.505 -0.834 28 HD2 LYS 4 HD2 LYS 4 30.738 15.479 0.004 29 HD3 LYS 4 HD1 LYS 4 31.626 16.395 -1.215 30 HE2 LYS 4 HE2 LYS 4 31.747 17.551 0.893 31 HE3 LYS 4 HE1 LYS 4 30.752 18.484 -0.224 32 HZ1 LYS 4 HZ1 LYS 4 29.832 18.324 2.048 33 HZ2 LYS 4 HZ2 LYS 4 29.658 16.644 1.839 34 HZ3 LYS 4 HZ3 LYS 4 28.783 17.724 0.857 35 H ALA 5 HN ALA 5 26.509 13.297 -3.287 36 HA ALA 5 HA ALA 5 24.421 14.744 -1.883 37 HB1 ALA 5 HB1 ALA 5 23.832 13.334 -3.800 38 HB2 ALA 5 HB2 ALA 5 23.056 12.761 -2.322 39 HB3 ALA 5 HB3 ALA 5 24.470 11.921 -2.958 40 H ILE 6 HN ILE 6 24.384 14.773 0.269 41 HA ILE 6 HA ILE 6 26.021 12.814 1.692 42 HB ILE 6 HB ILE 6 24.694 15.155 3.018 43 HG12 ILE 6 HG12 ILE 6 27.370 15.235 1.602 44 HG13 ILE 6 HG11 ILE 6 25.899 15.982 0.985 45 HG21 ILE 6 HG21 ILE 6 27.269 13.658 3.505 46 HG22 ILE 6 HG22 ILE 6 25.765 13.456 4.403 47 HG23 ILE 6 HG23 ILE 6 26.646 14.981 4.491 48 HD11 ILE 6 HD11 ILE 6 27.292 16.683 3.559 49 HD12 ILE 6 HD12 ILE 6 25.817 17.431 2.947 50 HD13 ILE 6 HD13 ILE 6 27.332 17.615 2.062 51 H PHE 7 HN PHE 7 25.099 11.119 2.545 52 HA PHE 7 HA PHE 7 22.247 11.184 3.202 53 HB2 PHE 7 HB2 PHE 7 23.132 9.363 1.735 54 HB3 PHE 7 HB1 PHE 7 24.130 8.816 3.076 55 HD1 PHE 7 HD2 PHE 7 20.598 9.428 2.110 56 HD2 PHE 7 HD1 PHE 7 23.298 7.272 4.592 57 HE1 PHE 7 HE2 PHE 7 18.742 8.019 2.898 58 HE2 PHE 7 HE1 PHE 7 21.447 5.859 5.383 59 HZ PHE 7 HZ PHE 7 19.166 6.232 4.537 60 H TYR 8 HN TYR 8 21.998 12.027 5.180 61 HA TYR 8 HA TYR 8 23.828 11.296 7.337 62 HB2 TYR 8 HB2 TYR 8 21.549 13.272 7.161 63 HB3 TYR 8 HB1 TYR 8 22.392 12.920 8.662 64 HD1 TYR 8 HD1 TYR 8 24.814 13.501 8.872 65 HD2 TYR 8 HD2 TYR 8 22.468 14.751 5.552 66 HE1 TYR 8 HE1 TYR 8 26.478 15.235 8.358 67 HE2 TYR 8 HE2 TYR 8 24.128 16.487 5.026 68 HH TYR 8 HH TYR 8 25.883 17.750 6.132 69 H HIS 9 HN HIS 9 23.394 9.658 8.679 70 HA HIS 9 HA HIS 9 20.653 9.241 9.534 71 HB2 HIS 9 HB2 HIS 9 20.562 6.896 9.054 72 HB3 HIS 9 HB1 HIS 9 20.953 7.736 7.562 73 HD2 HIS 9 HD2 HIS 9 23.511 7.256 6.545 74 HE1 HIS 9 HE1 HIS 9 24.283 4.049 9.191 75 HE2 HIS 9 HE2 HIS 9 24.846 5.069 6.942 76 H ALA 10 HN ALA 10 20.643 7.435 11.290 77 HA ALA 10 HA ALA 10 23.051 7.815 12.942 78 HB1 ALA 10 HB1 ALA 10 20.188 7.858 13.887 79 HB2 ALA 10 HB2 ALA 10 21.232 9.267 13.696 80 HB3 ALA 10 HB3 ALA 10 21.621 8.037 14.900 81 H GLY 11 HN GLY 11 21.941 5.534 11.220 82 HA2 GLY 11 HA2 GLY 11 22.183 3.235 11.378 83 HA3 GLY 11 HA1 GLY 11 22.595 3.432 13.076 84 H CYS 12 HN CYS 12 19.693 4.830 11.866 85 HA CYS 12 HA CYS 12 18.049 3.276 13.620 86 HB2 CYS 12 HB2 CYS 12 17.542 5.628 13.176 87 HB3 CYS 12 HB1 CYS 12 17.369 5.293 11.460 88 HG CYS 12 HG CYS 12 15.089 5.243 13.800 89 HA PRO 13 HA PRO 13 17.131 -0.217 11.043 90 HB2 PRO 13 HB2 PRO 13 14.375 -0.327 11.564 91 HB3 PRO 13 HB1 PRO 13 15.644 -1.154 12.468 92 HG2 PRO 13 HG2 PRO 13 14.244 1.404 13.076 93 HG3 PRO 13 HG1 PRO 13 14.832 0.151 14.183 94 HD2 PRO 13 HD2 PRO 13 16.139 2.465 13.894 95 HD3 PRO 13 HD1 PRO 13 17.020 0.935 14.103 96 H VAL 14 HN VAL 14 15.290 2.738 10.786 97 HA VAL 14 HA VAL 14 13.942 2.038 8.358 98 HB VAL 14 HB VAL 14 14.354 4.771 9.583 99 HG11 VAL 14 HG11 VAL 14 12.382 5.413 8.283 100 HG12 VAL 14 HG12 VAL 14 12.341 3.807 7.556 101 HG13 VAL 14 HG13 VAL 14 13.703 4.883 7.241 102 HG21 VAL 14 HG21 VAL 14 12.113 4.472 10.534 103 HG22 VAL 14 HG22 VAL 14 13.252 3.273 11.149 104 HG23 VAL 14 HG23 VAL 14 12.077 2.821 9.912 105 H CYS 15 HN CYS 15 16.921 3.776 9.162 106 HA CYS 15 HA CYS 15 17.137 4.936 6.545 107 HB2 CYS 15 HB2 CYS 15 19.282 5.821 7.295 108 HB3 CYS 15 HB1 CYS 15 18.029 6.115 8.494 109 HG CYS 15 HG CYS 15 20.929 4.629 8.850 110 H VAL 16 HN VAL 16 18.070 1.963 7.962 111 HA VAL 16 HA VAL 16 20.261 1.253 6.371 112 HB VAL 16 HB VAL 16 18.075 -0.576 7.391 113 HG11 VAL 16 HG11 VAL 16 20.923 -1.176 6.595 114 HG12 VAL 16 HG12 VAL 16 19.476 -1.633 5.697 115 HG13 VAL 16 HG13 VAL 16 19.780 -2.327 7.289 116 HG21 VAL 16 HG21 VAL 16 19.543 -0.944 9.320 117 HG22 VAL 16 HG22 VAL 16 19.034 0.740 9.199 118 HG23 VAL 16 HG23 VAL 16 20.658 0.271 8.697 119 H SER 17 HN SER 17 16.783 0.856 5.827 120 HA SER 17 HA SER 17 16.973 -0.378 3.301 121 HB2 SER 17 HB2 SER 17 14.725 1.356 4.351 122 HB3 SER 17 HB1 SER 17 14.612 0.129 3.089 123 HG SER 17 HG SER 17 14.522 -1.383 4.554 124 H ALA 18 HN ALA 18 16.621 3.007 4.286 125 HA ALA 18 HA ALA 18 16.307 4.102 1.718 126 HB1 ALA 18 HB1 ALA 18 16.863 6.236 2.753 127 HB2 ALA 18 HB2 ALA 18 17.473 5.396 4.179 128 HB3 ALA 18 HB3 ALA 18 15.758 5.312 3.771 129 H GLU 19 HN GLU 19 19.172 3.353 3.614 130 HA GLU 19 HA GLU 19 21.062 4.671 1.989 131 HB2 GLU 19 HB2 GLU 19 21.517 3.883 4.287 132 HB3 GLU 19 HB1 GLU 19 21.428 2.221 3.725 133 HG2 GLU 19 HG2 GLU 19 23.336 2.736 2.186 134 HG3 GLU 19 HG1 GLU 19 23.485 4.290 3.008 135 H GLN 20 HN GLN 20 20.022 1.267 2.074 136 HA GLN 20 HA GLN 20 21.755 0.657 -0.157 137 HB2 GLN 20 HB2 GLN 20 19.916 -1.059 1.505 138 HB3 GLN 20 HB1 GLN 20 20.915 -1.676 0.192 139 HG2 GLN 20 HG2 GLN 20 21.943 -0.261 2.644 140 HG3 GLN 20 HG1 GLN 20 21.952 -2.006 2.388 141 HE21 GLN 20 HE21 GLN 20 24.122 0.071 2.720 142 HE22 GLN 20 HE22 GLN 20 25.181 -0.206 1.371 143 H ALA 21 HN ALA 21 18.759 1.980 -0.005 144 HA ALA 21 HA ALA 21 18.037 0.806 -2.608 145 HB1 ALA 21 HB1 ALA 21 16.244 2.276 -0.684 146 HB2 ALA 21 HB2 ALA 21 16.312 0.526 -0.894 147 HB3 ALA 21 HB3 ALA 21 15.762 1.552 -2.218 148 H VAL 22 HN VAL 22 17.548 3.916 -0.923 149 HA VAL 22 HA VAL 22 17.364 5.329 -3.401 150 HB VAL 22 HB VAL 22 17.664 6.478 -0.620 151 HG11 VAL 22 HG11 VAL 22 16.597 7.684 -3.172 152 HG12 VAL 22 HG12 VAL 22 18.107 8.106 -2.363 153 HG13 VAL 22 HG13 VAL 22 16.563 8.454 -1.584 154 HG21 VAL 22 HG21 VAL 22 15.756 4.972 -0.715 155 HG22 VAL 22 HG22 VAL 22 15.161 5.791 -2.159 156 HG23 VAL 22 HG23 VAL 22 15.216 6.649 -0.620 157 H ALA 23 HN ALA 23 19.758 5.305 -0.759 158 HA ALA 23 HA ALA 23 21.520 7.107 -2.109 159 HB1 ALA 23 HB1 ALA 23 23.082 6.636 -0.303 160 HB2 ALA 23 HB2 ALA 23 22.078 5.288 0.232 161 HB3 ALA 23 HB3 ALA 23 21.464 6.938 0.331 162 H ASN 24 HN ASN 24 20.905 3.792 -2.403 163 HA ASN 24 HA ASN 24 23.523 3.122 -3.463 164 HB2 ASN 24 HB2 ASN 24 21.984 1.528 -2.156 165 HB3 ASN 24 HB1 ASN 24 21.028 1.428 -3.628 166 HD21 ASN 24 HD21 ASN 24 22.463 -0.661 -2.230 167 HD22 ASN 24 HD22 ASN 24 23.602 -1.314 -3.358 168 H ALA 25 HN ALA 25 20.273 3.836 -4.599 169 HA ALA 25 HA ALA 25 20.612 3.202 -7.314 170 HB1 ALA 25 HB1 ALA 25 18.677 4.624 -7.717 171 HB2 ALA 25 HB2 ALA 25 18.835 5.319 -6.103 172 HB3 ALA 25 HB3 ALA 25 18.421 3.615 -6.293 173 H ILE 26 HN ILE 26 21.352 6.099 -5.460 174 HA ILE 26 HA ILE 26 22.319 7.527 -7.775 175 HB ILE 26 HB ILE 26 22.758 8.170 -4.848 176 HG12 ILE 26 HG12 ILE 26 20.643 9.219 -6.746 177 HG13 ILE 26 HG11 ILE 26 20.354 8.059 -5.453 178 HG21 ILE 26 HG21 ILE 26 23.204 10.440 -5.661 179 HG22 ILE 26 HG22 ILE 26 23.004 9.882 -7.322 180 HG23 ILE 26 HG23 ILE 26 24.338 9.274 -6.342 181 HD11 ILE 26 HD11 ILE 26 19.667 10.300 -4.814 182 HD12 ILE 26 HD12 ILE 26 21.303 10.893 -5.096 183 HD13 ILE 26 HD13 ILE 26 20.996 9.733 -3.804 184 H ASP 27 HN ASP 27 23.906 6.259 -8.673 185 HA ASP 27 HA ASP 27 26.081 5.256 -7.040 186 HB2 ASP 27 HB2 ASP 27 26.697 3.972 -8.901 187 HB3 ASP 27 HB1 ASP 27 24.950 4.083 -9.072 188 HA PRO 28 HA PRO 28 29.103 8.403 -7.576 189 HB2 PRO 28 HB2 PRO 28 31.187 7.118 -8.899 190 HB3 PRO 28 HB1 PRO 28 30.917 7.124 -7.155 191 HG2 PRO 28 HG2 PRO 28 30.184 5.057 -9.179 192 HG3 PRO 28 HG1 PRO 28 30.793 4.847 -7.526 193 HD2 PRO 28 HD2 PRO 28 28.216 4.486 -8.096 194 HD3 PRO 28 HD1 PRO 28 28.713 5.260 -6.576 195 H SER 29 HN SER 29 28.181 6.693 -10.507 196 HA SER 29 HA SER 29 29.388 8.665 -12.247 197 HB2 SER 29 HB2 SER 29 29.137 6.323 -12.992 198 HB3 SER 29 HB1 SER 29 27.386 6.474 -12.871 199 HG SER 29 HG SER 29 27.416 7.962 -14.536 200 H LYS 30 HN LYS 30 26.529 8.385 -10.440 201 HA LYS 30 HA LYS 30 25.114 10.362 -12.053 202 HB2 LYS 30 HB2 LYS 30 23.896 8.443 -10.984 203 HB3 LYS 30 HB1 LYS 30 24.294 9.128 -9.414 204 HG2 LYS 30 HG2 LYS 30 22.053 9.739 -9.988 205 HG3 LYS 30 HG1 LYS 30 23.069 11.181 -10.047 206 HD2 LYS 30 HD2 LYS 30 23.235 10.947 -12.488 207 HD3 LYS 30 HD1 LYS 30 22.187 9.528 -12.414 208 HE2 LYS 30 HE2 LYS 30 20.454 10.993 -11.340 209 HE3 LYS 30 HE1 LYS 30 21.489 12.370 -11.710 210 HZ1 LYS 30 HZ1 LYS 30 21.283 11.929 -14.030 211 HZ2 LYS 30 HZ2 LYS 30 19.720 11.955 -13.366 212 HZ3 LYS 30 HZ3 LYS 30 20.455 10.472 -13.746 213 H TYR 31 HN TYR 31 26.089 10.001 -8.648 214 HA TYR 31 HA TYR 31 27.142 12.706 -8.629 215 HB2 TYR 31 HB2 TYR 31 24.866 11.833 -6.835 216 HB3 TYR 31 HB1 TYR 31 25.905 13.203 -6.460 217 HD1 TYR 31 HD2 TYR 31 26.063 15.048 -8.288 218 HD2 TYR 31 HD1 TYR 31 22.941 12.165 -8.097 219 HE1 TYR 31 HE2 TYR 31 24.641 16.505 -9.664 220 HE2 TYR 31 HE1 TYR 31 21.510 13.614 -9.474 221 HH TYR 31 HH TYR 31 21.316 16.013 -10.041 222 H THR 32 HN THR 32 28.313 13.128 -6.545 223 HA THR 32 HA THR 32 29.835 10.792 -5.831 224 HB THR 32 HB THR 32 29.994 13.579 -4.656 225 HG1 THR 32 HG1 THR 32 30.904 12.484 -7.068 226 HG21 THR 32 HG21 THR 32 32.290 12.936 -4.077 227 HG22 THR 32 HG22 THR 32 32.008 11.326 -4.738 228 HG23 THR 32 HG23 THR 32 31.116 11.863 -3.314 229 H VAL 33 HN VAL 33 29.352 9.446 -4.202 230 HA VAL 33 HA VAL 33 27.115 10.087 -2.476 231 HB VAL 33 HB VAL 33 28.733 7.538 -2.541 232 HG11 VAL 33 HG11 VAL 33 26.719 6.530 -1.578 233 HG12 VAL 33 HG12 VAL 33 25.943 8.113 -1.546 234 HG13 VAL 33 HG13 VAL 33 27.362 7.807 -0.546 235 HG21 VAL 33 HG21 VAL 33 26.985 6.650 -4.022 236 HG22 VAL 33 HG22 VAL 33 27.871 7.982 -4.764 237 HG23 VAL 33 HG23 VAL 33 26.257 8.254 -4.107 238 H GLU 34 HN GLU 34 27.289 10.820 -0.465 239 HA GLU 34 HA GLU 34 29.734 10.230 1.059 240 HB2 GLU 34 HB2 GLU 34 29.863 12.537 0.190 241 HB3 GLU 34 HB1 GLU 34 28.317 12.904 0.941 242 HG2 GLU 34 HG2 GLU 34 29.241 12.673 3.125 243 HG3 GLU 34 HG1 GLU 34 30.754 12.041 2.475 244 H ILE 35 HN ILE 35 29.142 9.062 2.782 245 HA ILE 35 HA ILE 35 26.446 9.482 3.893 246 HB ILE 35 HB ILE 35 28.198 7.021 4.066 247 HG12 ILE 35 HG12 ILE 35 25.641 7.515 2.519 248 HG13 ILE 35 HG11 ILE 35 27.252 7.410 1.818 249 HG21 ILE 35 HG21 ILE 35 25.384 7.485 5.050 250 HG22 ILE 35 HG22 ILE 35 26.820 7.279 6.052 251 HG23 ILE 35 HG23 ILE 35 26.234 5.940 5.066 252 HD11 ILE 35 HD11 ILE 35 27.414 5.086 2.534 253 HD12 ILE 35 HD12 ILE 35 26.010 5.350 1.500 254 HD13 ILE 35 HD13 ILE 35 25.804 5.191 3.245 255 H VAL 36 HN VAL 36 26.228 10.136 5.955 256 HA VAL 36 HA VAL 36 28.638 10.140 7.655 257 HB VAL 36 HB VAL 36 26.556 12.330 7.511 258 HG11 VAL 36 HG11 VAL 36 27.421 12.044 9.767 259 HG12 VAL 36 HG12 VAL 36 28.027 13.541 9.058 260 HG13 VAL 36 HG13 VAL 36 29.074 12.125 9.159 261 HG21 VAL 36 HG21 VAL 36 28.374 13.725 6.635 262 HG22 VAL 36 HG22 VAL 36 28.026 12.363 5.571 263 HG23 VAL 36 HG23 VAL 36 29.440 12.320 6.624 264 H HIS 37 HN HIS 37 28.393 9.238 9.583 265 HA HIS 37 HA HIS 37 25.737 8.374 10.426 266 HB2 HIS 37 HB2 HIS 37 27.756 6.824 10.344 267 HB3 HIS 37 HB1 HIS 37 28.398 7.728 11.708 268 HD2 HIS 37 HD2 HIS 37 26.107 4.804 10.974 269 HE1 HIS 37 HE1 HIS 37 25.602 5.811 15.050 270 HE2 HIS 37 HE2 HIS 37 25.385 3.972 13.326 271 H LEU 38 HN LEU 38 24.623 9.612 11.785 272 HA LEU 38 HA LEU 38 26.028 11.681 13.311 273 HB2 LEU 38 HB2 LEU 38 23.086 11.294 12.757 274 HB3 LEU 38 HB1 LEU 38 23.776 12.645 13.634 275 HG LEU 38 HG LEU 38 24.281 12.004 10.727 276 HD11 LEU 38 HD11 LEU 38 22.966 14.023 10.299 277 HD12 LEU 38 HD12 LEU 38 22.635 14.172 12.024 278 HD13 LEU 38 HD13 LEU 38 22.013 12.789 11.123 279 HD21 LEU 38 HD21 LEU 38 26.200 13.075 11.789 280 HD22 LEU 38 HD22 LEU 38 25.153 14.354 12.405 281 HD23 LEU 38 HD23 LEU 38 25.397 14.176 10.667 282 H GLY 39 HN GLY 39 25.028 8.594 13.865 283 HA2 GLY 39 HA2 GLY 39 23.698 9.066 16.412 284 HA3 GLY 39 HA1 GLY 39 23.938 7.510 15.635 285 H THR 40 HN THR 40 26.400 9.934 16.360 286 HA THR 40 HA THR 40 27.363 8.506 18.666 287 HB THR 40 HB THR 40 29.143 8.601 16.216 288 HG1 THR 40 HG1 THR 40 27.288 6.803 16.970 289 HG21 THR 40 HG21 THR 40 29.576 7.385 18.948 290 HG22 THR 40 HG22 THR 40 30.371 8.828 18.318 291 HG23 THR 40 HG23 THR 40 30.681 7.257 17.579 292 H ASP 41 HN ASP 41 28.699 10.654 16.144 293 HA ASP 41 HA ASP 41 29.876 12.320 18.202 294 HB2 ASP 41 HB2 ASP 41 31.161 11.729 16.169 295 HB3 ASP 41 HB1 ASP 41 29.989 12.612 15.195 296 H LYS 42 HN LYS 42 28.777 13.860 19.110 297 HA LYS 42 HA LYS 42 26.242 14.694 18.088 298 HB2 LYS 42 HB2 LYS 42 27.820 15.562 20.508 299 HB3 LYS 42 HB1 LYS 42 26.172 16.079 20.158 300 HG2 LYS 42 HG2 LYS 42 25.339 13.873 20.380 301 HG3 LYS 42 HG1 LYS 42 26.966 13.195 20.417 302 HD2 LYS 42 HD2 LYS 42 27.377 14.348 22.551 303 HD3 LYS 42 HD1 LYS 42 25.722 14.967 22.517 304 HE2 LYS 42 HE2 LYS 42 26.024 12.932 23.930 305 HE3 LYS 42 HE1 LYS 42 24.819 12.759 22.653 306 HZ1 LYS 42 HZ1 LYS 42 26.377 11.541 21.330 307 HZ2 LYS 42 HZ2 LYS 42 26.313 10.821 22.861 308 HZ3 LYS 42 HZ3 LYS 42 27.629 11.806 22.443 309 H ALA 43 HN ALA 43 29.445 15.926 17.915 310 HA ALA 43 HA ALA 43 28.873 18.663 17.536 311 HB1 ALA 43 HB1 ALA 43 31.183 17.059 16.444 312 HB2 ALA 43 HB2 ALA 43 31.119 17.812 18.037 313 HB3 ALA 43 HB3 ALA 43 31.108 18.816 16.587 314 H ARG 44 HN ARG 44 28.446 15.915 15.527 315 HA ARG 44 HA ARG 44 28.486 17.412 13.054 316 HB2 ARG 44 HB2 ARG 44 27.665 14.547 13.560 317 HB3 ARG 44 HB1 ARG 44 27.947 15.281 11.986 318 HG2 ARG 44 HG2 ARG 44 30.288 15.669 12.598 319 HG3 ARG 44 HG1 ARG 44 29.997 14.899 14.157 320 HD2 ARG 44 HD2 ARG 44 29.267 12.855 12.852 321 HD3 ARG 44 HD1 ARG 44 29.931 13.649 11.422 322 HE ARG 44 HE ARG 44 31.706 13.415 13.715 323 HH11 ARG 44 HH11 ARG 44 30.752 12.177 10.580 324 HH12 ARG 44 HH12 ARG 44 32.179 11.209 10.382 325 HH21 ARG 44 HH21 ARG 44 33.576 12.143 13.469 326 HH22 ARG 44 HH22 ARG 44 33.785 11.176 12.033 327 H ILE 45 HN ILE 45 26.148 16.477 15.429 328 HA ILE 45 HA ILE 45 23.822 16.643 13.826 329 HB ILE 45 HB ILE 45 24.309 16.888 16.777 330 HG12 ILE 45 HG12 ILE 45 22.499 15.028 16.669 331 HG13 ILE 45 HG11 ILE 45 22.867 14.990 14.949 332 HG21 ILE 45 HG21 ILE 45 21.659 17.425 15.445 333 HG22 ILE 45 HG22 ILE 45 22.630 18.585 16.351 334 HG23 ILE 45 HG23 ILE 45 21.910 17.203 17.177 335 HD11 ILE 45 HD11 ILE 45 25.260 14.592 15.582 336 HD12 ILE 45 HD12 ILE 45 24.136 13.291 15.977 337 HD13 ILE 45 HD13 ILE 45 24.698 14.382 17.241 338 H ALA 46 HN ALA 46 25.633 19.034 15.686 339 HA ALA 46 HA ALA 46 23.893 21.204 15.338 340 HB1 ALA 46 HB1 ALA 46 25.781 22.604 15.959 341 HB2 ALA 46 HB2 ALA 46 26.890 21.263 15.673 342 HB3 ALA 46 HB3 ALA 46 25.712 21.169 16.983 343 H GLU 47 HN GLU 47 26.392 19.875 13.288 344 HA GLU 47 HA GLU 47 26.337 22.105 11.450 345 HB2 GLU 47 HB2 GLU 47 28.374 20.685 11.997 346 HB3 GLU 47 HB1 GLU 47 27.636 19.414 11.032 347 HG2 GLU 47 HG2 GLU 47 29.260 20.606 9.721 348 HG3 GLU 47 HG1 GLU 47 27.643 20.908 9.087 349 H ALA 48 HN ALA 48 25.078 18.820 11.630 350 HA ALA 48 HA ALA 48 24.170 18.617 8.970 351 HB1 ALA 48 HB1 ALA 48 24.422 16.679 10.440 352 HB2 ALA 48 HB2 ALA 48 22.797 16.769 9.760 353 HB3 ALA 48 HB3 ALA 48 23.082 17.257 11.431 354 H GLU 49 HN GLU 49 22.659 19.867 11.907 355 HA GLU 49 HA GLU 49 20.092 20.279 10.813 356 HB2 GLU 49 HB2 GLU 49 20.566 20.297 13.236 357 HB3 GLU 49 HB1 GLU 49 21.456 21.801 13.042 358 HG2 GLU 49 HG2 GLU 49 19.440 22.941 12.344 359 HG3 GLU 49 HG1 GLU 49 18.531 21.434 12.433 360 H LYS 50 HN LYS 50 23.045 22.169 10.714 361 HA LYS 50 HA LYS 50 21.973 24.538 9.608 362 HB2 LYS 50 HB2 LYS 50 24.688 23.290 9.139 363 HB3 LYS 50 HB1 LYS 50 24.244 24.936 8.724 364 HG2 LYS 50 HG2 LYS 50 23.971 25.483 11.066 365 HG3 LYS 50 HG1 LYS 50 24.324 23.810 11.515 366 HD2 LYS 50 HD2 LYS 50 26.542 24.025 10.461 367 HD3 LYS 50 HD1 LYS 50 26.186 25.712 10.093 368 HE2 LYS 50 HE2 LYS 50 26.062 26.243 12.440 369 HE3 LYS 50 HE1 LYS 50 26.253 24.542 12.870 370 HZ1 LYS 50 HZ1 LYS 50 28.455 24.577 11.855 371 HZ2 LYS 50 HZ2 LYS 50 28.341 25.725 13.101 372 HZ3 LYS 50 HZ3 LYS 50 28.276 26.222 11.483 373 H ALA 51 HN ALA 51 23.080 21.507 8.215 374 HA ALA 51 HA ALA 51 22.875 22.326 5.496 375 HB1 ALA 51 HB1 ALA 51 22.970 19.544 6.652 376 HB2 ALA 51 HB2 ALA 51 24.365 20.525 6.207 377 HB3 ALA 51 HB3 ALA 51 23.240 19.978 4.964 378 H GLY 52 HN GLY 52 20.526 21.482 7.779 379 HA2 GLY 52 HA2 GLY 52 18.226 21.934 7.153 380 HA3 GLY 52 HA1 GLY 52 18.566 21.204 5.592 381 H VAL 53 HN VAL 53 20.040 19.441 8.011 382 HA VAL 53 HA VAL 53 18.145 17.292 7.701 383 HB VAL 53 HB VAL 53 20.646 17.433 9.396 384 HG11 VAL 53 HG11 VAL 53 20.523 14.987 9.427 385 HG12 VAL 53 HG12 VAL 53 18.995 15.053 8.549 386 HG13 VAL 53 HG13 VAL 53 19.104 15.714 10.181 387 HG21 VAL 53 HG21 VAL 53 21.128 17.726 7.030 388 HG22 VAL 53 HG22 VAL 53 20.203 16.273 6.648 389 HG23 VAL 53 HG23 VAL 53 21.690 16.150 7.587 390 H LYS 54 HN LYS 54 16.296 17.522 8.780 391 HA LYS 54 HA LYS 54 16.396 18.354 11.599 392 HB2 LYS 54 HB2 LYS 54 14.104 18.258 9.631 393 HB3 LYS 54 HB1 LYS 54 13.921 18.658 11.333 394 HG2 LYS 54 HG2 LYS 54 15.264 20.625 11.080 395 HG3 LYS 54 HG1 LYS 54 15.663 20.190 9.416 396 HD2 LYS 54 HD2 LYS 54 13.359 20.464 8.748 397 HD3 LYS 54 HD1 LYS 54 12.877 20.760 10.420 398 HE2 LYS 54 HE2 LYS 54 14.791 22.488 8.856 399 HE3 LYS 54 HE1 LYS 54 13.071 22.825 9.053 400 HZ1 LYS 54 HZ1 LYS 54 15.097 22.676 11.222 401 HZ2 LYS 54 HZ2 LYS 54 13.432 22.886 11.465 402 HZ3 LYS 54 HZ3 LYS 54 14.323 24.074 10.655 403 H SER 55 HN SER 55 15.912 15.704 9.527 404 HA SER 55 HA SER 55 15.330 13.992 11.813 405 HB2 SER 55 HB2 SER 55 13.724 13.866 9.245 406 HB3 SER 55 HB1 SER 55 13.522 12.834 10.663 407 HG SER 55 HG SER 55 13.383 15.364 11.457 408 H VAL 56 HN VAL 56 15.589 11.642 11.162 409 HA VAL 56 HA VAL 56 17.450 11.378 8.899 410 HB VAL 56 HB VAL 56 18.674 9.618 10.157 411 HG11 VAL 56 HG11 VAL 56 18.637 12.338 11.459 412 HG12 VAL 56 HG12 VAL 56 19.577 11.866 10.044 413 HG13 VAL 56 HG13 VAL 56 19.928 11.146 11.615 414 HG21 VAL 56 HG21 VAL 56 18.425 9.487 12.591 415 HG22 VAL 56 HG22 VAL 56 16.949 9.003 11.757 416 HG23 VAL 56 HG23 VAL 56 17.056 10.595 12.507 417 HA PRO 57 HA PRO 57 18.486 9.812 7.959 418 HB2 PRO 57 HB2 PRO 57 18.352 8.653 5.555 419 HB3 PRO 57 HB1 PRO 57 18.609 7.705 7.024 420 HG2 PRO 57 HG2 PRO 57 16.111 8.096 5.434 421 HG3 PRO 57 HG1 PRO 57 16.726 6.629 6.216 422 HD2 PRO 57 HD2 PRO 57 14.774 8.288 7.269 423 HD3 PRO 57 HD1 PRO 57 15.770 7.165 8.214 424 H ALA 58 HN ALA 58 19.187 11.428 6.635 425 HA ALA 58 HA ALA 58 17.206 12.702 4.865 426 HB1 ALA 58 HB1 ALA 58 19.216 14.131 6.606 427 HB2 ALA 58 HB2 ALA 58 17.481 14.038 6.906 428 HB3 ALA 58 HB3 ALA 58 18.085 14.888 5.483 429 H LEU 59 HN LEU 59 17.872 12.777 2.833 430 HA LEU 59 HA LEU 59 20.748 12.465 2.298 431 HB2 LEU 59 HB2 LEU 59 18.810 10.876 1.419 432 HB3 LEU 59 HB1 LEU 59 18.660 12.115 0.191 433 HG LEU 59 HG LEU 59 21.198 10.581 0.774 434 HD11 LEU 59 HD11 LEU 59 20.735 9.406 -1.316 435 HD12 LEU 59 HD12 LEU 59 19.192 10.249 -1.452 436 HD13 LEU 59 HD13 LEU 59 19.468 9.124 -0.122 437 HD21 LEU 59 HD21 LEU 59 21.979 11.521 -1.339 438 HD22 LEU 59 HD22 LEU 59 21.605 12.792 -0.176 439 HD23 LEU 59 HD23 LEU 59 20.482 12.441 -1.490 440 H VAL 60 HN VAL 60 21.695 14.345 1.929 441 HA VAL 60 HA VAL 60 20.210 16.613 0.912 442 HB VAL 60 HB VAL 60 23.164 16.398 1.535 443 HG11 VAL 60 HG11 VAL 60 22.640 18.257 0.057 444 HG12 VAL 60 HG12 VAL 60 23.080 18.846 1.660 445 HG13 VAL 60 HG13 VAL 60 21.386 18.808 1.167 446 HG21 VAL 60 HG21 VAL 60 21.839 15.920 3.516 447 HG22 VAL 60 HG22 VAL 60 20.887 17.382 3.257 448 HG23 VAL 60 HG23 VAL 60 22.601 17.505 3.658 449 H ILE 61 HN ILE 61 19.741 16.507 -1.190 450 HA ILE 61 HA ILE 61 21.752 15.503 -3.073 451 HB ILE 61 HB ILE 61 18.838 16.157 -3.560 452 HG12 ILE 61 HG12 ILE 61 20.197 13.473 -3.207 453 HG13 ILE 61 HG11 ILE 61 19.152 14.247 -2.020 454 HG21 ILE 61 HG21 ILE 61 20.176 16.358 -5.575 455 HG22 ILE 61 HG22 ILE 61 19.156 14.923 -5.664 456 HG23 ILE 61 HG23 ILE 61 20.873 14.762 -5.297 457 HD11 ILE 61 HD11 ILE 61 17.966 12.518 -3.231 458 HD12 ILE 61 HD12 ILE 61 18.333 13.313 -4.761 459 HD13 ILE 61 HD13 ILE 61 17.281 14.104 -3.587 460 H ASP 62 HN ASP 62 23.122 17.089 -3.573 461 HA ASP 62 HA ASP 62 23.965 18.975 -4.501 462 HB2 ASP 62 HB2 ASP 62 22.467 18.153 -6.372 463 HB3 ASP 62 HB1 ASP 62 21.267 19.316 -5.819 464 H GLY 63 HN GLY 63 22.919 19.246 -1.929 465 HA2 GLY 63 HA2 GLY 63 23.000 21.220 -0.616 466 HA3 GLY 63 HA1 GLY 63 22.356 22.123 -1.978 467 H ALA 64 HN ALA 64 20.281 19.911 -2.312 468 HA ALA 64 HA ALA 64 18.397 21.097 -0.413 469 HB1 ALA 64 HB1 ALA 64 17.874 19.367 -2.829 470 HB2 ALA 64 HB2 ALA 64 17.803 21.129 -2.789 471 HB3 ALA 64 HB3 ALA 64 16.654 20.178 -1.849 472 H ALA 65 HN ALA 65 17.958 20.061 1.412 473 HA ALA 65 HA ALA 65 18.754 17.310 1.765 474 HB1 ALA 65 HB1 ALA 65 19.112 18.968 3.533 475 HB2 ALA 65 HB2 ALA 65 18.109 17.628 4.087 476 HB3 ALA 65 HB3 ALA 65 17.367 19.177 3.683 477 H PHE 66 HN PHE 66 17.524 15.636 1.266 478 HA PHE 66 HA PHE 66 14.604 15.905 1.559 479 HB2 PHE 66 HB2 PHE 66 16.181 14.194 -0.372 480 HB3 PHE 66 HB1 PHE 66 14.443 14.054 -0.125 481 HD1 PHE 66 HD1 PHE 66 12.980 16.014 -0.672 482 HD2 PHE 66 HD2 PHE 66 17.079 15.828 -1.791 483 HE1 PHE 66 HE1 PHE 66 12.595 17.770 -2.350 484 HE2 PHE 66 HE2 PHE 66 16.704 17.584 -3.469 485 HZ PHE 66 HZ PHE 66 14.459 18.559 -3.751 486 H HIS 67 HN HIS 67 13.922 14.910 3.295 487 HA HIS 67 HA HIS 67 15.406 12.817 4.588 488 HB2 HIS 67 HB2 HIS 67 12.601 13.830 5.135 489 HB3 HIS 67 HB1 HIS 67 13.562 12.817 6.207 490 HD1 HIS 67 HD1 HIS 67 13.401 16.362 4.881 491 HD2 HIS 67 HD2 HIS 67 15.360 14.134 7.791 492 HE1 HIS 67 HE1 HIS 67 14.603 18.025 6.362 493 H ILE 68 HN ILE 68 14.957 10.627 4.594 494 HA ILE 68 HA ILE 68 12.901 9.772 2.655 495 HB ILE 68 HB ILE 68 15.485 8.336 3.290 496 HG12 ILE 68 HG12 ILE 68 15.906 10.410 2.040 497 HG13 ILE 68 HG11 ILE 68 16.213 8.996 1.040 498 HG21 ILE 68 HG21 ILE 68 13.370 7.784 1.211 499 HG22 ILE 68 HG22 ILE 68 13.691 6.825 2.657 500 HG23 ILE 68 HG23 ILE 68 14.898 6.918 1.375 501 HD11 ILE 68 HD11 ILE 68 15.080 10.727 -0.220 502 HD12 ILE 68 HD12 ILE 68 13.755 10.730 0.945 503 HD13 ILE 68 HD13 ILE 68 14.050 9.305 -0.054 504 H ASN 69 HN ASN 69 11.242 9.309 3.987 505 HA ASN 69 HA ASN 69 9.948 8.195 5.474 506 HB2 ASN 69 HB2 ASN 69 12.231 6.251 5.284 507 HB3 ASN 69 HB1 ASN 69 10.924 5.988 6.434 508 HD21 ASN 69 HD21 ASN 69 11.720 4.441 4.086 509 HD22 ASN 69 HD22 ASN 69 10.315 4.356 3.077 510 H PHE 70 HN PHE 70 9.627 9.363 7.212 511 HA PHE 70 HA PHE 70 11.643 10.264 8.962 512 HB2 PHE 70 HB2 PHE 70 9.567 11.497 8.701 513 HB3 PHE 70 HB1 PHE 70 8.640 10.134 9.316 514 HD1 PHE 70 HD1 PHE 70 11.338 12.500 10.308 515 HD2 PHE 70 HD2 PHE 70 8.091 10.049 11.558 516 HE1 PHE 70 HE1 PHE 70 11.534 13.406 12.587 517 HE2 PHE 70 HE2 PHE 70 8.282 10.950 13.838 518 HZ PHE 70 HZ PHE 70 10.006 12.631 14.356 519 H GLY 71 HN GLY 71 12.828 8.840 10.072 520 HA2 GLY 71 HA2 GLY 71 11.417 6.750 11.598 521 HA3 GLY 71 HA1 GLY 71 13.121 6.707 11.161 522 H ALA 72 HN ALA 72 14.030 9.143 11.914 523 HA ALA 72 HA ALA 72 13.259 9.508 14.717 524 HB1 ALA 72 HB1 ALA 72 15.587 9.485 15.446 525 HB2 ALA 72 HB2 ALA 72 16.105 9.080 13.810 526 HB3 ALA 72 HB3 ALA 72 15.133 7.936 14.738 527 H GLY 73 HN GLY 73 14.029 11.526 15.621 528 HA2 GLY 73 HA2 GLY 73 14.389 13.575 13.532 529 HA3 GLY 73 HA1 GLY 73 13.714 13.862 15.132 530 H ILE 74 HN ILE 74 16.016 15.120 13.693 531 HA ILE 74 HA ILE 74 18.394 14.177 14.989 532 HB ILE 74 HB ILE 74 18.301 15.423 12.765 533 HG12 ILE 74 HG12 ILE 74 20.205 16.457 14.879 534 HG13 ILE 74 HG11 ILE 74 20.395 14.948 13.993 535 HG21 ILE 74 HG21 ILE 74 18.411 17.872 12.873 536 HG22 ILE 74 HG22 ILE 74 18.084 17.806 14.606 537 HG23 ILE 74 HG23 ILE 74 16.861 17.263 13.455 538 HD11 ILE 74 HD11 ILE 74 21.822 16.687 13.090 539 HD12 ILE 74 HD12 ILE 74 20.414 17.709 12.799 540 HD13 ILE 74 HD13 ILE 74 20.606 16.198 11.909 541 H ASP 75 HN ASP 75 15.854 16.321 15.803 542 HA ASP 75 HA ASP 75 17.297 17.891 17.715 543 HB2 ASP 75 HB2 ASP 75 15.213 18.627 16.499 544 HB3 ASP 75 HB1 ASP 75 14.306 17.512 17.515 545 H ASP 76 HN ASP 76 15.528 14.903 17.725 546 HA ASP 76 HA ASP 76 15.249 14.626 20.541 547 HB2 ASP 76 HB2 ASP 76 15.317 12.564 18.327 548 HB3 ASP 76 HB1 ASP 76 14.969 12.181 20.008 549 H LEU 77 HN LEU 77 17.835 14.164 18.314 550 HA LEU 77 HA LEU 77 19.362 12.400 20.024 551 HB2 LEU 77 HB2 LEU 77 20.147 13.788 17.461 552 HB3 LEU 77 HB1 LEU 77 21.053 12.518 18.258 553 HG LEU 77 HG LEU 77 18.304 12.203 17.046 554 HD11 LEU 77 HD11 LEU 77 19.449 10.853 15.359 555 HD12 LEU 77 HD12 LEU 77 21.002 11.250 16.093 556 HD13 LEU 77 HD13 LEU 77 20.024 12.519 15.354 557 HD21 LEU 77 HD21 LEU 77 20.169 10.165 18.259 558 HD22 LEU 77 HD22 LEU 77 18.648 9.814 17.440 559 HD23 LEU 77 HD23 LEU 77 18.646 10.723 18.952 560 H LYS 78 HN LYS 78 18.670 15.438 20.487 561 HA LYS 78 HA LYS 78 21.392 16.399 20.997 562 HB2 LYS 78 HB2 LYS 78 18.749 17.856 21.200 563 HB3 LYS 78 HB1 LYS 78 20.337 18.578 21.408 564 HG2 LYS 78 HG2 LYS 78 20.876 18.178 19.098 565 HG3 LYS 78 HG1 LYS 78 19.361 17.300 18.863 566 HD2 LYS 78 HD2 LYS 78 18.132 19.369 19.478 567 HD3 LYS 78 HD1 LYS 78 19.675 20.221 19.547 568 HE2 LYS 78 HE2 LYS 78 20.056 19.840 17.210 569 HE3 LYS 78 HE1 LYS 78 18.641 18.791 17.104 570 HZ1 LYS 78 HZ1 LYS 78 18.626 21.701 17.700 571 HZ2 LYS 78 HZ2 LYS 78 17.253 20.704 17.682 572 HZ3 LYS 78 HZ3 LYS 78 18.126 20.977 16.249 573 H GLY 79 HN GLY 79 19.357 14.491 22.564 574 HA2 GLY 79 HA2 GLY 79 19.880 15.757 25.181 575 HA3 GLY 79 HA1 GLY 79 18.349 14.976 24.818 576 H SER 80 HN SER 80 18.184 12.778 24.908 577 HA SER 80 HA SER 80 20.311 11.487 26.421 578 HB2 SER 80 HB2 SER 80 17.529 10.452 25.844 579 HB3 SER 80 HB1 SER 80 18.643 9.896 27.095 580 HG SER 80 HG SER 80 18.485 12.136 27.922 581 H1 VAL 1 HT1 VAL 1 12.111 -4.426 -17.336 582 H2 VAL 1 HT2 VAL 1 12.563 -5.669 -16.277 583 H3 VAL 1 HT3 VAL 1 12.472 -5.968 -17.944 584 HA VAL 1 HA VAL 1 14.762 -5.750 -17.252 585 HB VAL 1 HB VAL 1 13.890 -3.314 -18.825 586 HG11 VAL 1 HG11 VAL 1 16.492 -4.839 -18.807 587 HG12 VAL 1 HG12 VAL 1 16.220 -3.230 -18.136 588 HG13 VAL 1 HG13 VAL 1 16.097 -3.493 -19.876 589 HG21 VAL 1 HG21 VAL 1 14.487 -6.104 -19.799 590 HG22 VAL 1 HG22 VAL 1 14.185 -4.701 -20.824 591 HG23 VAL 1 HG23 VAL 1 12.906 -5.322 -19.780 592 H ALA 2 HN ALA 2 13.250 -2.525 -17.050 593 HA ALA 2 HA ALA 2 15.009 -1.955 -14.758 594 HB1 ALA 2 HB1 ALA 2 13.685 -0.010 -16.651 595 HB2 ALA 2 HB2 ALA 2 15.377 -0.499 -16.702 596 HB3 ALA 2 HB3 ALA 2 14.764 0.406 -15.320 597 H SER 3 HN SER 3 14.088 -1.646 -12.838 598 HA SER 3 HA SER 3 11.302 -1.950 -12.443 599 HB2 SER 3 HB2 SER 3 13.248 -0.796 -10.444 600 HB3 SER 3 HB1 SER 3 11.796 -1.749 -10.128 601 HG SER 3 HG SER 3 13.537 -3.119 -9.928 602 H LYS 4 HN LYS 4 10.179 -0.180 -10.906 603 HA LYS 4 HA LYS 4 10.623 2.390 -12.251 604 HB2 LYS 4 HB2 LYS 4 8.268 2.738 -12.493 605 HB3 LYS 4 HB1 LYS 4 8.697 1.200 -13.221 606 HG2 LYS 4 HG2 LYS 4 7.798 0.013 -11.298 607 HG3 LYS 4 HG1 LYS 4 7.416 1.551 -10.513 608 HD2 LYS 4 HD2 LYS 4 6.022 2.123 -12.518 609 HD3 LYS 4 HD1 LYS 4 6.274 0.475 -13.088 610 HE2 LYS 4 HE2 LYS 4 5.134 -0.417 -11.173 611 HE3 LYS 4 HE1 LYS 4 5.022 1.186 -10.444 612 HZ1 LYS 4 HZ1 LYS 4 2.936 0.718 -11.438 613 HZ2 LYS 4 HZ2 LYS 4 3.653 0.228 -12.896 614 HZ3 LYS 4 HZ3 LYS 4 3.703 1.859 -12.435 615 H ALA 5 HN ALA 5 9.849 4.250 -11.202 616 HA ALA 5 HA ALA 5 9.626 3.982 -8.275 617 HB1 ALA 5 HB1 ALA 5 10.616 6.249 -8.159 618 HB2 ALA 5 HB2 ALA 5 10.843 6.212 -9.907 619 HB3 ALA 5 HB3 ALA 5 11.704 5.064 -8.881 620 H ILE 6 HN ILE 6 7.629 4.387 -7.613 621 HA ILE 6 HA ILE 6 5.853 6.000 -9.298 622 HB ILE 6 HB ILE 6 5.043 4.453 -6.841 623 HG12 ILE 6 HG12 ILE 6 5.027 3.429 -9.689 624 HG13 ILE 6 HG11 ILE 6 6.213 2.958 -8.476 625 HG21 ILE 6 HG21 ILE 6 3.450 6.092 -7.676 626 HG22 ILE 6 HG22 ILE 6 2.850 4.455 -7.942 627 HG23 ILE 6 HG23 ILE 6 3.531 5.373 -9.285 628 HD11 ILE 6 HD11 ILE 6 4.424 2.020 -7.102 629 HD12 ILE 6 HD12 ILE 6 4.484 1.277 -8.699 630 HD13 ILE 6 HD13 ILE 6 3.246 2.478 -8.331 631 H PHE 7 HN PHE 7 5.840 8.103 -8.824 632 HA PHE 7 HA PHE 7 6.313 8.944 -6.060 633 HB2 PHE 7 HB2 PHE 7 7.661 9.992 -7.854 634 HB3 PHE 7 HB1 PHE 7 6.183 10.603 -8.589 635 HD1 PHE 7 HD2 PHE 7 8.184 10.740 -5.463 636 HD2 PHE 7 HD1 PHE 7 5.331 12.673 -7.959 637 HE1 PHE 7 HE2 PHE 7 8.337 12.759 -4.068 638 HE2 PHE 7 HE1 PHE 7 5.479 14.697 -6.568 639 HZ PHE 7 HZ PHE 7 6.983 14.740 -4.619 640 H TYR 8 HN TYR 8 4.599 9.198 -4.827 641 HA TYR 8 HA TYR 8 2.019 9.877 -6.041 642 HB2 TYR 8 HB2 TYR 8 2.742 8.851 -3.289 643 HB3 TYR 8 HB1 TYR 8 1.112 9.311 -3.764 644 HD1 TYR 8 HD1 TYR 8 0.123 8.074 -5.821 645 HD2 TYR 8 HD2 TYR 8 3.454 6.658 -3.587 646 HE1 TYR 8 HE1 TYR 8 -0.292 5.800 -6.657 647 HE2 TYR 8 HE2 TYR 8 3.051 4.379 -4.420 648 HH TYR 8 HH TYR 8 0.999 3.698 -7.010 649 H HIS 9 HN HIS 9 1.236 11.883 -5.908 650 HA HIS 9 HA HIS 9 1.982 13.555 -3.638 651 HB2 HIS 9 HB2 HIS 9 2.781 15.382 -4.922 652 HB3 HIS 9 HB1 HIS 9 3.629 13.963 -5.519 653 HD2 HIS 9 HD2 HIS 9 2.432 12.950 -8.014 654 HE1 HIS 9 HE1 HIS 9 1.165 16.856 -9.041 655 HE2 HIS 9 HE2 HIS 9 1.758 14.560 -9.934 656 H ALA 10 HN ALA 10 0.831 15.844 -4.090 657 HA ALA 10 HA ALA 10 -1.801 15.466 -5.274 658 HB1 ALA 10 HB1 ALA 10 -1.451 16.210 -2.371 659 HB2 ALA 10 HB2 ALA 10 -2.056 14.666 -2.971 660 HB3 ALA 10 HB3 ALA 10 -2.977 16.143 -3.251 661 H GLY 11 HN GLY 11 0.689 17.180 -5.607 662 HA2 GLY 11 HA2 GLY 11 0.893 19.341 -6.469 663 HA3 GLY 11 HA1 GLY 11 -0.716 19.710 -5.864 664 H CYS 12 HN CYS 12 2.635 19.221 -4.879 665 HA CYS 12 HA CYS 12 2.247 21.214 -2.765 666 HB2 CYS 12 HB2 CYS 12 3.733 18.607 -2.349 667 HB3 CYS 12 HB1 CYS 12 3.467 19.868 -1.152 668 HG CYS 12 HG CYS 12 1.594 18.398 -0.153 669 HA PRO 13 HA PRO 13 6.060 22.997 -4.254 670 HB2 PRO 13 HB2 PRO 13 6.767 23.209 -1.365 671 HB3 PRO 13 HB1 PRO 13 6.767 24.456 -2.617 672 HG2 PRO 13 HG2 PRO 13 4.838 24.384 -0.796 673 HG3 PRO 13 HG1 PRO 13 4.471 24.773 -2.487 674 HD2 PRO 13 HD2 PRO 13 4.010 22.236 -0.981 675 HD3 PRO 13 HD1 PRO 13 3.003 23.013 -2.220 676 H VAL 14 HN VAL 14 6.218 20.716 -1.562 677 HA VAL 14 HA VAL 14 8.881 19.918 -1.773 678 HB VAL 14 HB VAL 14 6.506 18.227 -0.957 679 HG11 VAL 14 HG11 VAL 14 8.131 16.920 0.330 680 HG12 VAL 14 HG12 VAL 14 9.441 17.891 -0.344 681 HG13 VAL 14 HG13 VAL 14 8.470 16.865 -1.399 682 HG21 VAL 14 HG21 VAL 14 6.636 20.287 0.333 683 HG22 VAL 14 HG22 VAL 14 8.328 19.960 0.710 684 HG23 VAL 14 HG23 VAL 14 7.065 18.899 1.333 685 H CYS 15 HN CYS 15 6.013 18.853 -3.517 686 HA CYS 15 HA CYS 15 7.140 16.571 -4.743 687 HB2 CYS 15 HB2 CYS 15 4.890 18.278 -5.815 688 HB3 CYS 15 HB1 CYS 15 5.185 16.572 -6.139 689 HG CYS 15 HG CYS 15 4.431 15.641 -3.709 690 H VAL 16 HN VAL 16 6.972 19.957 -5.656 691 HA VAL 16 HA VAL 16 7.799 19.683 -8.330 692 HB VAL 16 HB VAL 16 8.258 22.041 -6.491 693 HG11 VAL 16 HG11 VAL 16 8.129 21.882 -9.501 694 HG12 VAL 16 HG12 VAL 16 9.578 22.160 -8.536 695 HG13 VAL 16 HG13 VAL 16 8.288 23.362 -8.554 696 HG21 VAL 16 HG21 VAL 16 6.150 22.916 -7.379 697 HG22 VAL 16 HG22 VAL 16 5.906 21.391 -6.528 698 HG23 VAL 16 HG23 VAL 16 5.914 21.424 -8.290 699 H SER 17 HN SER 17 9.671 20.620 -5.444 700 HA SER 17 HA SER 17 12.172 20.585 -6.723 701 HB2 SER 17 HB2 SER 17 11.542 20.196 -3.787 702 HB3 SER 17 HB1 SER 17 13.109 20.649 -4.459 703 HG SER 17 HG SER 17 11.281 22.293 -3.695 704 H ALA 18 HN ALA 18 10.368 18.063 -5.016 705 HA ALA 18 HA ALA 18 12.431 16.151 -4.899 706 HB1 ALA 18 HB1 ALA 18 9.463 15.658 -5.086 707 HB2 ALA 18 HB2 ALA 18 10.357 15.976 -3.600 708 HB3 ALA 18 HB3 ALA 18 10.681 14.511 -4.526 709 H GLU 19 HN GLU 19 10.077 16.922 -7.399 710 HA GLU 19 HA GLU 19 10.669 14.714 -9.083 711 HB2 GLU 19 HB2 GLU 19 8.580 15.986 -9.255 712 HB3 GLU 19 HB1 GLU 19 9.478 17.415 -9.740 713 HG2 GLU 19 HG2 GLU 19 10.219 16.229 -11.765 714 HG3 GLU 19 HG1 GLU 19 9.240 14.843 -11.284 715 H GLN 20 HN GLN 20 12.026 17.922 -8.703 716 HA GLN 20 HA GLN 20 13.619 17.631 -11.123 717 HB2 GLN 20 HB2 GLN 20 13.575 19.936 -9.176 718 HB3 GLN 20 HB1 GLN 20 14.237 19.938 -10.805 719 HG2 GLN 20 HG2 GLN 20 11.971 19.553 -11.693 720 HG3 GLN 20 HG1 GLN 20 11.338 19.653 -10.051 721 HE21 GLN 20 HE21 GLN 20 10.669 21.297 -12.300 722 HE22 GLN 20 HE22 GLN 20 11.087 22.928 -11.871 723 H ALA 21 HN ALA 21 13.941 16.668 -7.975 724 HA ALA 21 HA ALA 21 16.879 16.744 -8.217 725 HB1 ALA 21 HB1 ALA 21 16.108 18.208 -6.409 726 HB2 ALA 21 HB2 ALA 21 17.066 16.858 -5.804 727 HB3 ALA 21 HB3 ALA 21 15.309 16.833 -5.646 728 H VAL 22 HN VAL 22 14.460 15.002 -6.239 729 HA VAL 22 HA VAL 22 16.038 12.658 -6.053 730 HB VAL 22 HB VAL 22 13.045 12.870 -5.669 731 HG11 VAL 22 HG11 VAL 22 13.869 10.577 -5.839 732 HG12 VAL 22 HG12 VAL 22 13.323 10.939 -4.202 733 HG13 VAL 22 HG13 VAL 22 15.048 10.900 -4.568 734 HG21 VAL 22 HG21 VAL 22 14.186 14.530 -4.304 735 HG22 VAL 22 HG22 VAL 22 15.270 13.290 -3.674 736 HG23 VAL 22 HG23 VAL 22 13.549 13.232 -3.294 737 H ALA 23 HN ALA 23 13.182 13.452 -8.017 738 HA ALA 23 HA ALA 23 13.305 10.967 -9.467 739 HB1 ALA 23 HB1 ALA 23 11.693 13.451 -10.043 740 HB2 ALA 23 HB2 ALA 23 11.169 12.094 -9.045 741 HB3 ALA 23 HB3 ALA 23 11.456 11.861 -10.770 742 H ASN 24 HN ASN 24 15.335 13.430 -9.507 743 HA ASN 24 HA ASN 24 15.805 13.307 -12.406 744 HB2 ASN 24 HB2 ASN 24 15.581 15.576 -11.323 745 HB3 ASN 24 HB1 ASN 24 17.050 15.219 -10.420 746 HD21 ASN 24 HD21 ASN 24 15.695 15.813 -13.572 747 HD22 ASN 24 HD22 ASN 24 17.187 16.212 -14.353 748 H ALA 25 HN ALA 25 17.176 12.796 -9.227 749 HA ALA 25 HA ALA 25 19.721 11.871 -10.042 750 HB1 ALA 25 HB1 ALA 25 19.856 10.871 -7.813 751 HB2 ALA 25 HB2 ALA 25 18.132 11.155 -7.576 752 HB3 ALA 25 HB3 ALA 25 19.236 12.521 -7.731 753 H ILE 26 HN ILE 26 16.599 10.313 -9.564 754 HA ILE 26 HA ILE 26 17.648 7.800 -10.614 755 HB ILE 26 HB ILE 26 14.808 8.461 -9.800 756 HG12 ILE 26 HG12 ILE 26 16.962 7.024 -8.227 757 HG13 ILE 26 HG11 ILE 26 16.409 8.665 -7.914 758 HG21 ILE 26 HG21 ILE 26 14.527 6.022 -9.724 759 HG22 ILE 26 HG22 ILE 26 16.181 5.821 -10.304 760 HG23 ILE 26 HG23 ILE 26 14.969 6.581 -11.336 761 HD11 ILE 26 HD11 ILE 26 14.185 7.818 -7.387 762 HD12 ILE 26 HD12 ILE 26 15.418 7.081 -6.363 763 HD13 ILE 26 HD13 ILE 26 14.733 6.173 -7.712 764 H ASP 27 HN ASP 27 18.163 8.490 -12.711 765 HA ASP 27 HA ASP 27 16.108 9.678 -14.363 766 HB2 ASP 27 HB2 ASP 27 17.846 9.647 -16.144 767 HB3 ASP 27 HB1 ASP 27 18.367 10.478 -14.686 768 HA PRO 28 HA PRO 28 14.263 6.177 -16.125 769 HB2 PRO 28 HB2 PRO 28 14.238 6.716 -18.815 770 HB3 PRO 28 HB1 PRO 28 13.137 7.444 -17.639 771 HG2 PRO 28 HG2 PRO 28 15.659 8.548 -18.814 772 HG3 PRO 28 HG1 PRO 28 14.108 9.360 -18.524 773 HD2 PRO 28 HD2 PRO 28 16.188 9.699 -16.872 774 HD3 PRO 28 HD1 PRO 28 14.525 9.615 -16.254 775 H SER 29 HN SER 29 17.504 6.777 -16.918 776 HA SER 29 HA SER 29 17.828 4.427 -18.580 777 HB2 SER 29 HB2 SER 29 20.071 5.938 -17.257 778 HB3 SER 29 HB1 SER 29 20.080 5.073 -18.794 779 HG SER 29 HG SER 29 19.276 7.648 -18.205 780 H LYS 30 HN LYS 30 17.668 5.201 -15.288 781 HA LYS 30 HA LYS 30 18.916 2.656 -14.511 782 HB2 LYS 30 HB2 LYS 30 17.996 4.979 -12.801 783 HB3 LYS 30 HB1 LYS 30 18.749 3.511 -12.198 784 HG2 LYS 30 HG2 LYS 30 20.779 4.073 -13.499 785 HG3 LYS 30 HG1 LYS 30 20.015 5.600 -13.956 786 HD2 LYS 30 HD2 LYS 30 19.844 6.231 -11.607 787 HD3 LYS 30 HD1 LYS 30 20.565 4.693 -11.130 788 HE2 LYS 30 HE2 LYS 30 21.884 6.875 -12.740 789 HE3 LYS 30 HE1 LYS 30 22.220 6.463 -11.060 790 HZ1 LYS 30 HZ1 LYS 30 22.639 4.110 -12.223 791 HZ2 LYS 30 HZ2 LYS 30 23.856 5.271 -11.997 792 HZ3 LYS 30 HZ3 LYS 30 23.078 5.141 -13.500 793 H TYR 31 HN TYR 31 16.054 4.623 -13.747 794 HA TYR 31 HA TYR 31 14.401 2.208 -13.755 795 HB2 TYR 31 HB2 TYR 31 14.474 4.219 -11.487 796 HB3 TYR 31 HB1 TYR 31 13.278 2.940 -11.658 797 HD1 TYR 31 HD1 TYR 31 14.097 0.530 -11.619 798 HD2 TYR 31 HD2 TYR 31 16.519 3.808 -10.403 799 HE1 TYR 31 HE1 TYR 31 15.549 -1.013 -10.377 800 HE2 TYR 31 HE2 TYR 31 17.982 2.271 -9.158 801 HH TYR 31 HH TYR 31 17.937 0.079 -8.169 802 H THR 32 HN THR 32 12.112 2.694 -14.011 803 HA THR 32 HA THR 32 11.737 5.150 -15.535 804 HB THR 32 HB THR 32 9.472 4.125 -16.061 805 HG1 THR 32 HG1 THR 32 10.564 1.673 -15.188 806 HG21 THR 32 HG21 THR 32 11.934 2.546 -16.812 807 HG22 THR 32 HG22 THR 32 11.356 4.005 -17.616 808 HG23 THR 32 HG23 THR 32 10.395 2.527 -17.673 809 H VAL 33 HN VAL 33 10.601 6.870 -14.822 810 HA VAL 33 HA VAL 33 9.557 6.707 -12.092 811 HB VAL 33 HB VAL 33 10.145 9.175 -13.736 812 HG11 VAL 33 HG11 VAL 33 10.019 10.358 -11.603 813 HG12 VAL 33 HG12 VAL 33 9.605 8.851 -10.786 814 HG13 VAL 33 HG13 VAL 33 8.499 9.545 -11.972 815 HG21 VAL 33 HG21 VAL 33 12.163 9.394 -12.365 816 HG22 VAL 33 HG22 VAL 33 12.185 7.912 -13.320 817 HG23 VAL 33 HG23 VAL 33 11.808 7.846 -11.598 818 H GLU 34 HN GLU 34 7.448 6.743 -11.696 819 HA GLU 34 HA GLU 34 5.646 7.806 -13.774 820 HB2 GLU 34 HB2 GLU 34 5.049 5.583 -11.807 821 HB3 GLU 34 HB1 GLU 34 3.953 6.201 -13.034 822 HG2 GLU 34 HG2 GLU 34 5.582 5.460 -14.763 823 HG3 GLU 34 HG1 GLU 34 6.522 4.703 -13.479 824 H ILE 35 HN ILE 35 4.600 9.576 -13.152 825 HA ILE 35 HA ILE 35 4.538 10.260 -10.307 826 HB ILE 35 HB ILE 35 3.814 11.994 -12.676 827 HG12 ILE 35 HG12 ILE 35 6.178 11.283 -12.779 828 HG13 ILE 35 HG11 ILE 35 6.026 13.006 -12.458 829 HG21 ILE 35 HG21 ILE 35 4.123 13.849 -11.093 830 HG22 ILE 35 HG22 ILE 35 4.399 12.680 -9.800 831 HG23 ILE 35 HG23 ILE 35 2.829 12.755 -10.602 832 HD11 ILE 35 HD11 ILE 35 6.469 12.595 -10.090 833 HD12 ILE 35 HD12 ILE 35 7.784 12.023 -11.117 834 HD13 ILE 35 HD13 ILE 35 6.638 10.872 -10.427 835 H VAL 36 HN VAL 36 2.704 10.100 -9.147 836 HA VAL 36 HA VAL 36 0.154 9.888 -10.620 837 HB VAL 36 HB VAL 36 0.912 8.363 -8.121 838 HG11 VAL 36 HG11 VAL 36 -1.226 7.201 -8.447 839 HG12 VAL 36 HG12 VAL 36 -1.598 8.283 -9.790 840 HG13 VAL 36 HG13 VAL 36 -1.448 8.926 -8.155 841 HG21 VAL 36 HG21 VAL 36 2.055 7.489 -10.087 842 HG22 VAL 36 HG22 VAL 36 0.520 7.393 -10.951 843 HG23 VAL 36 HG23 VAL 36 0.805 6.371 -9.542 844 H HIS 37 HN HIS 37 -1.301 11.358 -10.077 845 HA HIS 37 HA HIS 37 -0.948 12.930 -7.640 846 HB2 HIS 37 HB2 HIS 37 -1.414 13.944 -9.940 847 HB3 HIS 37 HB1 HIS 37 -3.042 13.300 -9.790 848 HD2 HIS 37 HD2 HIS 37 -0.945 16.298 -8.708 849 HE1 HIS 37 HE1 HIS 37 -4.710 16.599 -6.806 850 HE2 HIS 37 HE2 HIS 37 -2.647 17.872 -7.548 851 H LEU 38 HN LEU 38 -1.827 12.052 -5.863 852 HA LEU 38 HA LEU 38 -3.888 10.078 -6.010 853 HB2 LEU 38 HB2 LEU 38 -2.549 11.456 -3.696 854 HB3 LEU 38 HB1 LEU 38 -3.824 10.273 -3.477 855 HG LEU 38 HG LEU 38 -1.149 9.771 -4.787 856 HD11 LEU 38 HD11 LEU 38 -0.996 10.023 -2.372 857 HD12 LEU 38 HD12 LEU 38 -0.747 8.341 -2.844 858 HD13 LEU 38 HD13 LEU 38 -2.291 8.844 -2.155 859 HD21 LEU 38 HD21 LEU 38 -1.845 7.434 -4.859 860 HD22 LEU 38 HD22 LEU 38 -2.934 8.447 -5.808 861 HD23 LEU 38 HD23 LEU 38 -3.425 7.878 -4.213 862 H GLY 39 HN GLY 39 -3.929 13.470 -5.849 863 HA2 GLY 39 HA2 GLY 39 -6.504 13.678 -4.546 864 HA3 GLY 39 HA1 GLY 39 -5.608 14.986 -5.306 865 H THR 40 HN THR 40 -5.750 12.378 -7.369 866 HA THR 40 HA THR 40 -7.978 13.600 -8.843 867 HB THR 40 HB THR 40 -5.781 11.829 -9.934 868 HG1 THR 40 HG1 THR 40 -5.090 13.949 -9.110 869 HG21 THR 40 HG21 THR 40 -7.797 13.602 -11.328 870 HG22 THR 40 HG22 THR 40 -7.827 11.840 -11.288 871 HG23 THR 40 HG23 THR 40 -6.515 12.679 -12.114 872 H ASP 41 HN ASP 41 -7.005 10.745 -7.187 873 HA ASP 41 HA ASP 41 -9.447 9.399 -8.024 874 HB2 ASP 41 HB2 ASP 41 -7.758 8.635 -9.647 875 HB3 ASP 41 HB1 ASP 41 -6.731 8.098 -8.321 876 H LYS 42 HN LYS 42 -10.384 8.363 -6.366 877 HA LYS 42 HA LYS 42 -9.065 8.450 -3.795 878 HB2 LYS 42 HB2 LYS 42 -11.822 7.486 -4.566 879 HB3 LYS 42 HB1 LYS 42 -11.225 7.595 -2.917 880 HG2 LYS 42 HG2 LYS 42 -10.909 10.049 -3.285 881 HG3 LYS 42 HG1 LYS 42 -11.739 9.856 -4.831 882 HD2 LYS 42 HD2 LYS 42 -13.694 8.943 -3.649 883 HD3 LYS 42 HD1 LYS 42 -12.867 9.190 -2.110 884 HE2 LYS 42 HE2 LYS 42 -14.354 11.019 -2.409 885 HE3 LYS 42 HE1 LYS 42 -12.722 11.625 -2.686 886 HZ1 LYS 42 HZ1 LYS 42 -13.093 11.520 -5.053 887 HZ2 LYS 42 HZ2 LYS 42 -14.329 12.432 -4.332 888 HZ3 LYS 42 HZ3 LYS 42 -14.631 10.836 -4.824 889 H ALA 43 HN ALA 43 -9.907 6.036 -6.172 890 HA ALA 43 HA ALA 43 -9.785 3.766 -4.503 891 HB1 ALA 43 HB1 ALA 43 -10.831 3.743 -6.718 892 HB2 ALA 43 HB2 ALA 43 -9.607 2.481 -6.562 893 HB3 ALA 43 HB3 ALA 43 -9.247 3.952 -7.465 894 H ARG 44 HN ARG 44 -7.364 5.374 -6.519 895 HA ARG 44 HA ARG 44 -5.249 3.585 -6.036 896 HB2 ARG 44 HB2 ARG 44 -5.246 5.236 -7.851 897 HB3 ARG 44 HB1 ARG 44 -5.149 6.537 -6.675 898 HG2 ARG 44 HG2 ARG 44 -2.942 6.398 -6.647 899 HG3 ARG 44 HG1 ARG 44 -3.019 4.689 -6.216 900 HD2 ARG 44 HD2 ARG 44 -3.362 5.674 -9.036 901 HD3 ARG 44 HD1 ARG 44 -1.787 5.268 -8.356 902 HE ARG 44 HE ARG 44 -2.913 2.999 -7.899 903 HH11 ARG 44 HH11 ARG 44 -3.636 5.035 -10.669 904 HH12 ARG 44 HH12 ARG 44 -4.005 3.690 -11.704 905 HH21 ARG 44 HH21 ARG 44 -3.386 1.257 -9.256 906 HH22 ARG 44 HH22 ARG 44 -3.861 1.554 -10.908 907 H ILE 45 HN ILE 45 -6.617 6.092 -4.069 908 HA ILE 45 HA ILE 45 -4.460 6.514 -2.301 909 HB ILE 45 HB ILE 45 -7.436 6.674 -1.785 910 HG12 ILE 45 HG12 ILE 45 -5.397 8.835 -2.367 911 HG13 ILE 45 HG11 ILE 45 -6.581 8.216 -3.515 912 HG21 ILE 45 HG21 ILE 45 -6.242 6.380 0.312 913 HG22 ILE 45 HG22 ILE 45 -6.866 8.024 0.179 914 HG23 ILE 45 HG23 ILE 45 -5.154 7.705 -0.103 915 HD11 ILE 45 HD11 ILE 45 -7.201 9.663 -0.949 916 HD12 ILE 45 HD12 ILE 45 -8.386 9.051 -2.104 917 HD13 ILE 45 HD13 ILE 45 -7.281 10.343 -2.575 918 H ALA 46 HN ALA 46 -7.245 4.299 -2.097 919 HA ALA 46 HA ALA 46 -6.400 2.956 0.233 920 HB1 ALA 46 HB1 ALA 46 -8.697 2.839 -0.605 921 HB2 ALA 46 HB2 ALA 46 -8.009 1.228 -0.393 922 HB3 ALA 46 HB3 ALA 46 -8.142 1.926 -2.008 923 H GLU 47 HN GLU 47 -5.704 2.506 -3.169 924 HA GLU 47 HA GLU 47 -4.414 -0.003 -2.969 925 HB2 GLU 47 HB2 GLU 47 -5.236 0.956 -5.088 926 HB3 GLU 47 HB1 GLU 47 -4.001 2.203 -4.993 927 HG2 GLU 47 HG2 GLU 47 -2.260 0.530 -5.185 928 HG3 GLU 47 HG1 GLU 47 -3.474 -0.751 -5.210 929 H ALA 48 HN ALA 48 -3.281 3.326 -2.728 930 HA ALA 48 HA ALA 48 -0.529 2.778 -2.541 931 HB1 ALA 48 HB1 ALA 48 -1.446 5.019 -2.962 932 HB2 ALA 48 HB2 ALA 48 -0.320 5.010 -1.607 933 HB3 ALA 48 HB3 ALA 48 -2.057 5.070 -1.308 934 H GLU 49 HN GLU 49 -3.077 2.986 -0.091 935 HA GLU 49 HA GLU 49 -1.414 2.643 2.155 936 HB2 GLU 49 HB2 GLU 49 -4.324 1.889 1.811 937 HB3 GLU 49 HB1 GLU 49 -3.476 1.985 3.349 938 HG2 GLU 49 HG2 GLU 49 -3.012 4.396 2.816 939 HG3 GLU 49 HG1 GLU 49 -4.120 4.228 1.458 940 H LYS 50 HN LYS 50 -2.837 0.366 -0.095 941 HA LYS 50 HA LYS 50 -2.312 -2.021 1.311 942 HB2 LYS 50 HB2 LYS 50 -2.250 -1.561 -1.679 943 HB3 LYS 50 HB1 LYS 50 -2.354 -3.125 -0.888 944 HG2 LYS 50 HG2 LYS 50 -4.543 -2.569 -0.013 945 HG3 LYS 50 HG1 LYS 50 -4.432 -0.953 -0.718 946 HD2 LYS 50 HD2 LYS 50 -4.258 -1.971 -2.958 947 HD3 LYS 50 HD1 LYS 50 -4.445 -3.566 -2.229 948 HE2 LYS 50 HE2 LYS 50 -6.652 -2.902 -1.383 949 HE3 LYS 50 HE1 LYS 50 -6.462 -1.324 -2.150 950 HZ1 LYS 50 HZ1 LYS 50 -7.790 -2.867 -3.486 951 HZ2 LYS 50 HZ2 LYS 50 -6.472 -3.925 -3.593 952 HZ3 LYS 50 HZ3 LYS 50 -6.386 -2.385 -4.301 953 H ALA 51 HN ALA 51 -0.366 -0.116 -0.941 954 HA ALA 51 HA ALA 51 1.821 -1.947 -0.997 955 HB1 ALA 51 HB1 ALA 51 1.715 0.944 -1.850 956 HB2 ALA 51 HB2 ALA 51 1.336 -0.448 -2.864 957 HB3 ALA 51 HB3 ALA 51 2.977 -0.217 -2.263 958 H GLY 52 HN GLY 52 0.888 0.600 1.124 959 HA2 GLY 52 HA2 GLY 52 1.964 0.529 3.329 960 HA3 GLY 52 HA1 GLY 52 3.495 0.339 2.489 961 H VAL 53 HN VAL 53 1.487 2.500 0.882 962 HA VAL 53 HA VAL 53 3.121 4.742 1.718 963 HB VAL 53 HB VAL 53 0.816 4.691 -0.238 964 HG11 VAL 53 HG11 VAL 53 1.788 6.772 -1.091 965 HG12 VAL 53 HG12 VAL 53 3.006 6.720 0.183 966 HG13 VAL 53 HG13 VAL 53 1.304 6.922 0.598 967 HG21 VAL 53 HG21 VAL 53 2.536 4.610 -1.988 968 HG22 VAL 53 HG22 VAL 53 2.564 3.175 -0.963 969 HG23 VAL 53 HG23 VAL 53 3.776 4.436 -0.746 970 H LYS 54 HN LYS 54 2.604 5.766 3.538 971 HA LYS 54 HA LYS 54 -0.244 5.989 4.243 972 HB2 LYS 54 HB2 LYS 54 2.220 5.946 5.980 973 HB3 LYS 54 HB1 LYS 54 0.635 6.415 6.582 974 HG2 LYS 54 HG2 LYS 54 -0.242 4.213 5.967 975 HG3 LYS 54 HG1 LYS 54 1.359 3.745 5.390 976 HD2 LYS 54 HD2 LYS 54 2.278 3.957 7.602 977 HD3 LYS 54 HD1 LYS 54 0.760 4.620 8.213 978 HE2 LYS 54 HE2 LYS 54 1.143 1.842 7.100 979 HE3 LYS 54 HE1 LYS 54 1.047 2.254 8.812 980 HZ1 LYS 54 HZ1 LYS 54 -1.077 1.466 8.030 981 HZ2 LYS 54 HZ2 LYS 54 -1.104 2.621 6.792 982 HZ3 LYS 54 HZ3 LYS 54 -1.200 3.115 8.411 983 H SER 55 HN SER 55 2.236 7.765 2.968 984 HA SER 55 HA SER 55 0.833 10.226 3.677 985 HB2 SER 55 HB2 SER 55 3.833 9.895 3.934 986 HB3 SER 55 HB1 SER 55 2.942 11.403 4.150 987 HG SER 55 HG SER 55 1.835 9.519 5.684 988 H VAL 56 HN VAL 56 0.949 11.850 2.141 989 HA VAL 56 HA VAL 56 1.983 11.110 -0.463 990 HB VAL 56 HB VAL 56 1.045 13.361 -1.169 991 HG11 VAL 56 HG11 VAL 56 -1.262 12.548 -1.172 992 HG12 VAL 56 HG12 VAL 56 -0.840 11.350 0.051 993 HG13 VAL 56 HG13 VAL 56 -0.122 11.259 -1.557 994 HG21 VAL 56 HG21 VAL 56 1.005 14.446 1.000 995 HG22 VAL 56 HG22 VAL 56 -0.145 13.248 1.596 996 HG23 VAL 56 HG23 VAL 56 -0.620 14.370 0.320 997 HA PRO 57 HA PRO 57 4.850 13.563 -2.287 998 HB2 PRO 57 HB2 PRO 57 5.617 14.895 0.299 999 HB3 PRO 57 HB1 PRO 57 6.092 15.320 -1.355 1000 HG2 PRO 57 HG2 PRO 57 3.849 16.342 -0.015 1001 HG3 PRO 57 HG1 PRO 57 4.113 16.392 -1.766 1002 HD2 PRO 57 HD2 PRO 57 2.050 14.989 -0.463 1003 HD3 PRO 57 HD1 PRO 57 2.589 14.698 -2.136 1004 H ALA 58 HN ALA 58 5.025 11.319 -2.257 1005 HA ALA 58 HA ALA 58 7.350 10.369 -0.782 1006 HB1 ALA 58 HB1 ALA 58 4.720 8.886 -0.799 1007 HB2 ALA 58 HB2 ALA 58 5.447 9.679 0.599 1008 HB3 ALA 58 HB3 ALA 58 6.241 8.287 -0.137 1009 H LEU 59 HN LEU 59 8.270 8.421 -1.781 1010 HA LEU 59 HA LEU 59 7.309 7.950 -4.517 1011 HB2 LEU 59 HB2 LEU 59 9.120 9.608 -4.591 1012 HB3 LEU 59 HB1 LEU 59 10.172 8.506 -3.728 1013 HG LEU 59 HG LEU 59 9.028 7.555 -6.306 1014 HD11 LEU 59 HD11 LEU 59 9.687 9.843 -6.838 1015 HD12 LEU 59 HD12 LEU 59 10.801 8.684 -7.564 1016 HD13 LEU 59 HD13 LEU 59 11.270 9.566 -6.111 1017 HD21 LEU 59 HD21 LEU 59 11.276 6.564 -6.483 1018 HD22 LEU 59 HD22 LEU 59 10.455 6.097 -4.995 1019 HD23 LEU 59 HD23 LEU 59 11.717 7.329 -4.957 1020 H VAL 60 HN VAL 60 7.211 5.878 -5.049 1021 HA VAL 60 HA VAL 60 8.327 3.905 -3.183 1022 HB VAL 60 HB VAL 60 6.213 3.569 -5.322 1023 HG11 VAL 60 HG11 VAL 60 7.137 1.653 -3.183 1024 HG12 VAL 60 HG12 VAL 60 7.426 1.497 -4.916 1025 HG13 VAL 60 HG13 VAL 60 5.783 1.394 -4.282 1026 HG21 VAL 60 HG21 VAL 60 4.638 3.401 -3.447 1027 HG22 VAL 60 HG22 VAL 60 5.433 4.975 -3.502 1028 HG23 VAL 60 HG23 VAL 60 5.949 3.768 -2.325 1029 H ILE 61 HN ILE 61 10.233 3.075 -3.766 1030 HA ILE 61 HA ILE 61 10.971 2.933 -6.588 1031 HB ILE 61 HB ILE 61 12.593 2.200 -4.140 1032 HG12 ILE 61 HG12 ILE 61 12.704 4.662 -5.899 1033 HG13 ILE 61 HG11 ILE 61 12.074 4.605 -4.257 1034 HG21 ILE 61 HG21 ILE 61 14.511 2.203 -5.671 1035 HG22 ILE 61 HG22 ILE 61 13.423 2.495 -7.027 1036 HG23 ILE 61 HG23 ILE 61 13.318 0.985 -6.122 1037 HD11 ILE 61 HD11 ILE 61 14.290 4.021 -3.425 1038 HD12 ILE 61 HD12 ILE 61 14.313 5.542 -4.318 1039 HD13 ILE 61 HD13 ILE 61 14.921 4.068 -5.071 1040 H ASP 62 HN ASP 62 10.266 1.230 -7.671 1041 HA ASP 62 HA ASP 62 9.991 -0.915 -8.358 1042 HB2 ASP 62 HB2 ASP 62 12.224 -1.399 -7.548 1043 HB3 ASP 62 HB1 ASP 62 11.629 -1.573 -5.902 1044 H GLY 63 HN GLY 63 9.891 -1.258 -4.860 1045 HA2 GLY 63 HA2 GLY 63 7.016 -1.521 -4.825 1046 HA3 GLY 63 HA1 GLY 63 7.879 -3.018 -4.497 1047 H ALA 64 HN ALA 64 9.485 -0.167 -3.513 1048 HA ALA 64 HA ALA 64 8.635 -0.630 -0.728 1049 HB1 ALA 64 HB1 ALA 64 11.367 0.201 -1.707 1050 HB2 ALA 64 HB2 ALA 64 10.927 -1.399 -1.108 1051 HB3 ALA 64 HB3 ALA 64 10.891 -0.008 -0.022 1052 H ALA 65 HN ALA 65 7.785 1.071 0.280 1053 HA ALA 65 HA ALA 65 7.527 3.546 -1.187 1054 HB1 ALA 65 HB1 ALA 65 6.374 2.757 1.485 1055 HB2 ALA 65 HB2 ALA 65 5.584 2.551 -0.078 1056 HB3 ALA 65 HB3 ALA 65 5.925 4.170 0.532 1057 H PHE 66 HN PHE 66 8.888 5.173 -0.993 1058 HA PHE 66 HA PHE 66 10.169 5.630 1.618 1059 HB2 PHE 66 HB2 PHE 66 11.255 6.227 -1.144 1060 HB3 PHE 66 HB1 PHE 66 12.022 6.723 0.360 1061 HD1 PHE 66 HD1 PHE 66 12.575 4.821 2.037 1062 HD2 PHE 66 HD2 PHE 66 11.836 4.210 -2.110 1063 HE1 PHE 66 HE1 PHE 66 13.767 2.674 2.147 1064 HE2 PHE 66 HE2 PHE 66 13.032 2.060 -2.006 1065 HZ PHE 66 HZ PHE 66 13.995 1.290 0.124 1066 H HIS 67 HN HIS 67 8.948 7.156 2.528 1067 HA HIS 67 HA HIS 67 7.627 9.216 1.064 1068 HB2 HIS 67 HB2 HIS 67 8.170 8.973 4.035 1069 HB3 HIS 67 HB1 HIS 67 7.062 10.123 3.296 1070 HD1 HIS 67 HD1 HIS 67 7.362 6.503 4.236 1071 HD2 HIS 67 HD2 HIS 67 4.634 9.060 2.419 1072 HE1 HIS 67 HE1 HIS 67 5.165 5.250 4.144 1073 H ILE 68 HN ILE 68 8.385 11.150 0.449 1074 HA ILE 68 HA ILE 68 11.167 11.760 1.121 1075 HB ILE 68 HB ILE 68 9.418 12.955 -1.039 1076 HG12 ILE 68 HG12 ILE 68 11.626 10.892 -1.235 1077 HG13 ILE 68 HG11 ILE 68 9.905 10.560 -1.408 1078 HG21 ILE 68 HG21 ILE 68 11.529 13.852 -1.928 1079 HG22 ILE 68 HG22 ILE 68 12.379 13.216 -0.520 1080 HG23 ILE 68 HG23 ILE 68 11.166 14.480 -0.320 1081 HD11 ILE 68 HD11 ILE 68 9.837 11.986 -3.390 1082 HD12 ILE 68 HD12 ILE 68 11.000 10.672 -3.568 1083 HD13 ILE 68 HD13 ILE 68 11.563 12.306 -3.215 1084 H ASN 69 HN ASN 69 11.393 13.014 2.825 1085 HA ASN 69 HA ASN 69 11.076 14.632 4.390 1086 HB2 ASN 69 HB2 ASN 69 9.708 15.982 2.054 1087 HB3 ASN 69 HB1 ASN 69 9.884 16.758 3.622 1088 HD21 ASN 69 HD21 ASN 69 10.963 17.495 1.009 1089 HD22 ASN 69 HD22 ASN 69 12.675 17.588 1.219 1090 H PHE 70 HN PHE 70 8.822 16.237 4.950 1091 HA PHE 70 HA PHE 70 6.760 14.192 5.351 1092 HB2 PHE 70 HB2 PHE 70 7.721 15.197 7.422 1093 HB3 PHE 70 HB1 PHE 70 7.164 16.776 6.881 1094 HD1 PHE 70 HD1 PHE 70 5.976 13.382 7.798 1095 HD2 PHE 70 HD2 PHE 70 5.009 17.506 7.385 1096 HE1 PHE 70 HE1 PHE 70 3.811 12.980 8.893 1097 HE2 PHE 70 HE2 PHE 70 2.841 17.111 8.478 1098 HZ PHE 70 HZ PHE 70 2.240 14.846 9.234 1099 H GLY 71 HN GLY 71 5.674 14.419 3.391 1100 HA2 GLY 71 HA2 GLY 71 4.757 16.990 2.504 1101 HA3 GLY 71 HA1 GLY 71 4.271 15.422 1.863 1102 H ALA 72 HN ALA 72 2.445 14.435 2.613 1103 HA ALA 72 HA ALA 72 1.165 15.625 4.971 1104 HB1 ALA 72 HB1 ALA 72 -0.350 15.251 2.390 1105 HB2 ALA 72 HB2 ALA 72 0.147 16.799 3.072 1106 HB3 ALA 72 HB3 ALA 72 -1.021 15.792 3.928 1107 H GLY 73 HN GLY 73 -0.615 14.210 5.821 1108 HA2 GLY 73 HA2 GLY 73 0.113 11.435 5.598 1109 HA3 GLY 73 HA1 GLY 73 -1.240 12.093 6.519 1110 H ILE 74 HN ILE 74 -1.212 9.747 4.730 1111 HA ILE 74 HA ILE 74 -2.500 10.502 2.303 1112 HB ILE 74 HB ILE 74 -1.293 8.313 2.707 1113 HG12 ILE 74 HG12 ILE 74 -4.102 8.017 1.635 1114 HG13 ILE 74 HG11 ILE 74 -2.808 8.829 0.761 1115 HG21 ILE 74 HG21 ILE 74 -2.615 6.459 3.636 1116 HG22 ILE 74 HG22 ILE 74 -3.881 7.602 4.087 1117 HG23 ILE 74 HG23 ILE 74 -2.287 7.710 4.835 1118 HD11 ILE 74 HD11 ILE 74 -3.098 6.552 -0.011 1119 HD12 ILE 74 HD12 ILE 74 -2.822 5.949 1.623 1120 HD13 ILE 74 HD13 ILE 74 -1.521 6.759 0.750 1121 H ASP 75 HN ASP 75 -3.533 10.152 5.537 1122 HA ASP 75 HA ASP 75 -6.327 9.837 4.936 1123 HB2 ASP 75 HB2 ASP 75 -4.848 10.470 7.492 1124 HB3 ASP 75 HB1 ASP 75 -6.603 10.354 7.401 1125 H ASP 76 HN ASP 76 -4.123 12.430 4.979 1126 HA ASP 76 HA ASP 76 -5.847 14.572 5.634 1127 HB2 ASP 76 HB2 ASP 76 -3.299 14.343 4.080 1128 HB3 ASP 76 HB1 ASP 76 -4.229 15.830 3.962 1129 H LEU 77 HN LEU 77 -5.295 12.747 2.716 1130 HA LEU 77 HA LEU 77 -6.761 14.427 0.949 1131 HB2 LEU 77 HB2 LEU 77 -6.191 11.470 0.719 1132 HB3 LEU 77 HB1 LEU 77 -6.680 12.534 -0.584 1133 HG LEU 77 HG LEU 77 -4.075 12.746 0.928 1134 HD11 LEU 77 HD11 LEU 77 -3.059 11.888 -1.121 1135 HD12 LEU 77 HD12 LEU 77 -4.661 11.663 -1.824 1136 HD13 LEU 77 HD13 LEU 77 -4.175 10.718 -0.416 1137 HD21 LEU 77 HD21 LEU 77 -4.850 14.888 0.052 1138 HD22 LEU 77 HD22 LEU 77 -5.062 14.168 -1.544 1139 HD23 LEU 77 HD23 LEU 77 -3.449 14.307 -0.846 1140 H LYS 78 HN LYS 78 -7.588 11.960 3.216 1141 HA LYS 78 HA LYS 78 -10.153 11.327 2.097 1142 HB2 LYS 78 HB2 LYS 78 -9.111 10.767 4.879 1143 HB3 LYS 78 HB1 LYS 78 -10.462 9.973 4.083 1144 HG2 LYS 78 HG2 LYS 78 -8.973 8.955 2.479 1145 HG3 LYS 78 HG1 LYS 78 -7.599 9.830 3.160 1146 HD2 LYS 78 HD2 LYS 78 -8.003 8.680 5.321 1147 HD3 LYS 78 HD1 LYS 78 -9.277 7.739 4.544 1148 HE2 LYS 78 HE2 LYS 78 -7.648 6.803 2.987 1149 HE3 LYS 78 HE1 LYS 78 -6.371 7.767 3.731 1150 HZ1 LYS 78 HZ1 LYS 78 -7.964 5.654 5.087 1151 HZ2 LYS 78 HZ2 LYS 78 -6.747 6.587 5.810 1152 HZ3 LYS 78 HZ3 LYS 78 -6.355 5.500 4.563 1153 H GLY 79 HN GLY 79 -8.883 13.595 4.401 1154 HA2 GLY 79 HA2 GLY 79 -9.913 15.525 5.191 1155 HA3 GLY 79 HA1 GLY 79 -11.426 14.976 4.483 1156 H SER 80 HN SER 80 -12.455 15.633 6.458 1157 HA SER 80 HA SER 80 -11.810 14.249 8.903 1158 HB2 SER 80 HB2 SER 80 -14.270 15.896 8.269 1159 HB3 SER 80 HB1 SER 80 -13.641 15.492 9.866 1160 HG SER 80 HG SER 80 -12.989 17.548 8.249 Start of MODEL 14 1 H1 VAL 1 HT1 VAL 1 27.703 15.137 -14.618 2 H2 VAL 1 HT2 VAL 1 27.914 16.710 -15.220 3 H3 VAL 1 HT3 VAL 1 26.534 16.326 -14.309 4 HA VAL 1 HA VAL 1 29.318 16.299 -13.295 5 HB VAL 1 HB VAL 1 27.073 18.241 -12.693 6 HG11 VAL 1 HG11 VAL 1 28.517 17.815 -10.769 7 HG12 VAL 1 HG12 VAL 1 28.745 19.452 -11.386 8 HG13 VAL 1 HG13 VAL 1 29.937 18.201 -11.743 9 HG21 VAL 1 HG21 VAL 1 29.628 18.659 -14.238 10 HG22 VAL 1 HG22 VAL 1 28.482 19.923 -13.790 11 HG23 VAL 1 HG23 VAL 1 27.995 18.645 -14.904 12 H ALA 2 HN ALA 2 29.550 15.056 -11.554 13 HA ALA 2 HA ALA 2 27.337 13.776 -10.286 14 HB1 ALA 2 HB1 ALA 2 30.219 13.952 -9.400 15 HB2 ALA 2 HB2 ALA 2 29.534 12.700 -10.437 16 HB3 ALA 2 HB3 ALA 2 29.002 12.844 -8.762 17 H SER 3 HN SER 3 25.970 14.894 -9.063 18 HA SER 3 HA SER 3 26.771 17.330 -7.760 19 HB2 SER 3 HB2 SER 3 24.537 17.036 -8.835 20 HB3 SER 3 HB1 SER 3 24.128 15.861 -7.586 21 HG SER 3 HG SER 3 24.690 18.625 -7.262 22 H LYS 4 HN LYS 4 26.701 17.740 -5.535 23 HA LYS 4 HA LYS 4 27.726 15.596 -3.935 24 HB2 LYS 4 HB2 LYS 4 28.617 17.873 -3.783 25 HB3 LYS 4 HB1 LYS 4 27.052 18.465 -3.254 26 HG2 LYS 4 HG2 LYS 4 27.249 17.094 -1.218 27 HG3 LYS 4 HG1 LYS 4 28.855 16.579 -1.749 28 HD2 LYS 4 HD2 LYS 4 29.641 18.871 -1.694 29 HD3 LYS 4 HD1 LYS 4 28.027 19.442 -1.274 30 HE2 LYS 4 HE2 LYS 4 29.338 19.394 0.721 31 HE3 LYS 4 HE1 LYS 4 28.161 18.088 0.806 32 HZ1 LYS 4 HZ1 LYS 4 30.357 17.382 1.540 33 HZ2 LYS 4 HZ2 LYS 4 31.009 17.778 0.035 34 HZ3 LYS 4 HZ3 LYS 4 29.880 16.521 0.159 35 H ALA 5 HN ALA 5 26.442 14.156 -2.957 36 HA ALA 5 HA ALA 5 23.885 15.112 -1.847 37 HB1 ALA 5 HB1 ALA 5 23.483 13.776 -3.863 38 HB2 ALA 5 HB2 ALA 5 22.865 12.974 -2.419 39 HB3 ALA 5 HB3 ALA 5 24.377 12.434 -3.149 40 H ILE 6 HN ILE 6 24.165 15.128 0.293 41 HA ILE 6 HA ILE 6 25.848 13.071 1.522 42 HB ILE 6 HB ILE 6 24.620 15.505 2.826 43 HG12 ILE 6 HG12 ILE 6 27.440 15.066 1.810 44 HG13 ILE 6 HG11 ILE 6 26.245 16.134 1.081 45 HG21 ILE 6 HG21 ILE 6 26.218 15.054 4.622 46 HG22 ILE 6 HG22 ILE 6 26.774 13.614 3.769 47 HG23 ILE 6 HG23 ILE 6 25.124 13.693 4.383 48 HD11 ILE 6 HD11 ILE 6 27.363 16.436 3.858 49 HD12 ILE 6 HD12 ILE 6 26.257 17.541 3.043 50 HD13 ILE 6 HD13 ILE 6 27.900 17.333 2.440 51 H PHE 7 HN PHE 7 25.034 11.410 2.539 52 HA PHE 7 HA PHE 7 22.155 11.326 3.082 53 HB2 PHE 7 HB2 PHE 7 23.103 9.532 1.669 54 HB3 PHE 7 HB1 PHE 7 24.202 9.093 2.971 55 HD1 PHE 7 HD1 PHE 7 20.578 9.418 2.202 56 HD2 PHE 7 HD2 PHE 7 23.589 7.466 4.491 57 HE1 PHE 7 HE1 PHE 7 18.895 7.854 3.078 58 HE2 PHE 7 HE2 PHE 7 21.909 5.899 5.372 59 HZ PHE 7 HZ PHE 7 19.560 6.091 4.664 60 H TYR 8 HN TYR 8 21.854 12.228 5.040 61 HA TYR 8 HA TYR 8 23.661 11.623 7.244 62 HB2 TYR 8 HB2 TYR 8 21.260 13.439 6.994 63 HB3 TYR 8 HB1 TYR 8 22.063 13.139 8.528 64 HD1 TYR 8 HD1 TYR 8 24.501 13.810 8.758 65 HD2 TYR 8 HD2 TYR 8 22.071 15.063 5.500 66 HE1 TYR 8 HE1 TYR 8 26.057 15.663 8.320 67 HE2 TYR 8 HE2 TYR 8 23.623 16.916 5.049 68 HH TYR 8 HH TYR 8 26.704 17.173 6.615 69 H HIS 9 HN HIS 9 23.304 10.043 8.667 70 HA HIS 9 HA HIS 9 20.577 9.453 9.467 71 HB2 HIS 9 HB2 HIS 9 20.758 7.056 9.193 72 HB3 HIS 9 HB1 HIS 9 21.041 7.831 7.641 73 HD2 HIS 9 HD2 HIS 9 23.984 8.068 7.137 74 HE1 HIS 9 HE1 HIS 9 24.565 4.380 9.125 75 HE2 HIS 9 HE2 HIS 9 25.482 5.966 7.379 76 H ALA 10 HN ALA 10 20.536 8.205 11.531 77 HA ALA 10 HA ALA 10 23.054 8.404 13.008 78 HB1 ALA 10 HB1 ALA 10 20.527 9.780 13.902 79 HB2 ALA 10 HB2 ALA 10 21.957 10.579 13.246 80 HB3 ALA 10 HB3 ALA 10 22.053 9.720 14.784 81 H GLY 11 HN GLY 11 20.843 6.328 12.171 82 HA2 GLY 11 HA2 GLY 11 20.712 5.123 14.853 83 HA3 GLY 11 HA1 GLY 11 19.320 5.103 13.777 84 H CYS 12 HN CYS 12 19.098 3.469 12.450 85 HA CYS 12 HA CYS 12 21.144 2.049 11.193 86 HB2 CYS 12 HB2 CYS 12 21.663 1.231 13.457 87 HB3 CYS 12 HB1 CYS 12 20.019 0.623 13.617 88 HG CYS 12 HG CYS 12 20.554 -1.707 12.721 89 HA PRO 13 HA PRO 13 17.139 -0.760 10.871 90 HB2 PRO 13 HB2 PRO 13 14.841 0.650 11.637 91 HB3 PRO 13 HB1 PRO 13 15.598 -0.678 12.518 92 HG2 PRO 13 HG2 PRO 13 15.853 2.263 12.930 93 HG3 PRO 13 HG1 PRO 13 15.822 0.956 14.129 94 HD2 PRO 13 HD2 PRO 13 18.108 2.166 13.478 95 HD3 PRO 13 HD1 PRO 13 18.056 0.415 13.780 96 H VAL 14 HN VAL 14 15.616 2.447 10.778 97 HA VAL 14 HA VAL 14 14.690 2.081 8.121 98 HB VAL 14 HB VAL 14 14.883 4.692 9.635 99 HG11 VAL 14 HG11 VAL 14 14.358 4.953 7.273 100 HG12 VAL 14 HG12 VAL 14 12.960 5.350 8.271 101 HG13 VAL 14 HG13 VAL 14 13.030 3.802 7.428 102 HG21 VAL 14 HG21 VAL 14 13.767 3.026 11.016 103 HG22 VAL 14 HG22 VAL 14 12.676 2.636 9.687 104 HG23 VAL 14 HG23 VAL 14 12.616 4.231 10.438 105 H CYS 15 HN CYS 15 17.612 3.292 9.445 106 HA CYS 15 HA CYS 15 18.351 5.051 7.340 107 HB2 CYS 15 HB2 CYS 15 20.124 3.641 9.343 108 HB3 CYS 15 HB1 CYS 15 20.537 5.072 8.404 109 HG CYS 15 HG CYS 15 18.351 6.542 9.646 110 H VAL 16 HN VAL 16 19.226 1.697 8.136 111 HA VAL 16 HA VAL 16 20.935 1.311 5.916 112 HB VAL 16 HB VAL 16 19.415 -0.737 7.546 113 HG11 VAL 16 HG11 VAL 16 20.107 -1.679 5.410 114 HG12 VAL 16 HG12 VAL 16 21.072 -2.350 6.726 115 HG13 VAL 16 HG13 VAL 16 21.754 -1.107 5.677 116 HG21 VAL 16 HG21 VAL 16 20.928 0.631 8.885 117 HG22 VAL 16 HG22 VAL 16 22.253 0.263 7.778 118 HG23 VAL 16 HG23 VAL 16 21.527 -1.021 8.746 119 H SER 17 HN SER 17 17.476 0.947 6.379 120 HA SER 17 HA SER 17 16.789 -0.461 4.082 121 HB2 SER 17 HB2 SER 17 15.216 1.851 5.237 122 HB3 SER 17 HB1 SER 17 14.587 0.472 4.338 123 HG SER 17 HG SER 17 15.548 -0.803 6.162 124 H ALA 18 HN ALA 18 17.280 3.022 4.545 125 HA ALA 18 HA ALA 18 16.744 3.649 1.798 126 HB1 ALA 18 HB1 ALA 18 17.431 5.911 2.390 127 HB2 ALA 18 HB2 ALA 18 18.023 5.332 3.947 128 HB3 ALA 18 HB3 ALA 18 16.300 5.263 3.577 129 H GLU 19 HN GLU 19 19.583 2.951 3.721 130 HA GLU 19 HA GLU 19 21.539 3.902 1.926 131 HB2 GLU 19 HB2 GLU 19 21.957 3.286 4.309 132 HB3 GLU 19 HB1 GLU 19 21.791 1.594 3.865 133 HG2 GLU 19 HG2 GLU 19 23.674 1.983 2.222 134 HG3 GLU 19 HG1 GLU 19 23.921 3.532 3.024 135 H GLN 20 HN GLN 20 19.984 0.736 2.275 136 HA GLN 20 HA GLN 20 21.593 -0.434 0.194 137 HB2 GLN 20 HB2 GLN 20 19.168 -1.471 1.661 138 HB3 GLN 20 HB1 GLN 20 20.116 -2.409 0.516 139 HG2 GLN 20 HG2 GLN 20 22.085 -2.153 1.945 140 HG3 GLN 20 HG1 GLN 20 21.117 -1.240 3.101 141 HE21 GLN 20 HE21 GLN 20 22.569 -3.751 3.427 142 HE22 GLN 20 HE22 GLN 20 21.402 -4.914 3.950 143 H ALA 21 HN ALA 21 18.442 1.062 0.393 144 HA ALA 21 HA ALA 21 17.737 0.091 -2.261 145 HB1 ALA 21 HB1 ALA 21 16.022 0.051 -0.525 146 HB2 ALA 21 HB2 ALA 21 15.561 1.099 -1.867 147 HB3 ALA 21 HB3 ALA 21 16.147 1.801 -0.360 148 H VAL 22 HN VAL 22 17.681 3.300 -0.688 149 HA VAL 22 HA VAL 22 17.380 4.637 -3.178 150 HB VAL 22 HB VAL 22 18.151 5.812 -0.502 151 HG11 VAL 22 HG11 VAL 22 17.246 7.900 -1.403 152 HG12 VAL 22 HG12 VAL 22 16.969 7.108 -2.955 153 HG13 VAL 22 HG13 VAL 22 18.613 7.322 -2.354 154 HG21 VAL 22 HG21 VAL 22 15.428 5.445 -1.751 155 HG22 VAL 22 HG22 VAL 22 15.764 6.311 -0.251 156 HG23 VAL 22 HG23 VAL 22 16.059 4.574 -0.352 157 H ALA 23 HN ALA 23 20.121 4.284 -0.934 158 HA ALA 23 HA ALA 23 21.831 6.016 -2.399 159 HB1 ALA 23 HB1 ALA 23 22.130 5.567 -0.008 160 HB2 ALA 23 HB2 ALA 23 23.597 5.248 -0.933 161 HB3 ALA 23 HB3 ALA 23 22.589 3.907 -0.387 162 H ASN 24 HN ASN 24 20.916 2.758 -2.908 163 HA ASN 24 HA ASN 24 23.248 2.312 -4.633 164 HB2 ASN 24 HB2 ASN 24 21.158 0.394 -3.596 165 HB3 ASN 24 HB1 ASN 24 22.366 -0.048 -4.799 166 HD21 ASN 24 HD21 ASN 24 21.989 -1.180 -2.195 167 HD22 ASN 24 HD22 ASN 24 23.456 -0.917 -1.310 168 H ALA 25 HN ALA 25 19.975 3.199 -4.724 169 HA ALA 25 HA ALA 25 19.460 2.354 -7.419 170 HB1 ALA 25 HB1 ALA 25 18.037 4.432 -5.753 171 HB2 ALA 25 HB2 ALA 25 17.626 2.718 -5.829 172 HB3 ALA 25 HB3 ALA 25 17.453 3.730 -7.263 173 H ILE 26 HN ILE 26 20.736 5.168 -5.815 174 HA ILE 26 HA ILE 26 20.969 6.673 -8.290 175 HB ILE 26 HB ILE 26 22.074 7.325 -5.547 176 HG12 ILE 26 HG12 ILE 26 19.522 8.289 -6.862 177 HG13 ILE 26 HG11 ILE 26 19.603 7.110 -5.557 178 HG21 ILE 26 HG21 ILE 26 21.645 9.066 -7.975 179 HG22 ILE 26 HG22 ILE 26 23.201 8.513 -7.353 180 HG23 ILE 26 HG23 ILE 26 22.211 9.618 -6.399 181 HD11 ILE 26 HD11 ILE 26 20.565 8.803 -4.088 182 HD12 ILE 26 HD12 ILE 26 19.000 9.305 -4.724 183 HD13 ILE 26 HD13 ILE 26 20.483 9.983 -5.396 184 H ASP 27 HN ASP 27 22.885 7.001 -9.395 185 HA ASP 27 HA ASP 27 24.938 5.011 -8.910 186 HB2 ASP 27 HB2 ASP 27 24.038 5.486 -11.208 187 HB3 ASP 27 HB1 ASP 27 24.807 7.068 -11.124 188 HA PRO 28 HA PRO 28 27.471 7.825 -6.598 189 HB2 PRO 28 HB2 PRO 28 29.695 6.017 -7.280 190 HB3 PRO 28 HB1 PRO 28 29.037 6.447 -5.699 191 HG2 PRO 28 HG2 PRO 28 28.637 4.025 -6.762 192 HG3 PRO 28 HG1 PRO 28 27.386 4.833 -5.800 193 HD2 PRO 28 HD2 PRO 28 27.616 4.578 -8.778 194 HD3 PRO 28 HD1 PRO 28 26.183 4.415 -7.739 195 H SER 29 HN SER 29 28.021 7.040 -9.914 196 HA SER 29 HA SER 29 30.007 9.193 -10.123 197 HB2 SER 29 HB2 SER 29 29.117 7.132 -12.154 198 HB3 SER 29 HB1 SER 29 30.328 8.382 -12.450 199 HG SER 29 HG SER 29 30.537 6.015 -11.058 200 H LYS 30 HN LYS 30 26.785 8.791 -10.137 201 HA LYS 30 HA LYS 30 26.247 10.935 -12.068 202 HB2 LYS 30 HB2 LYS 30 24.849 8.831 -12.044 203 HB3 LYS 30 HB1 LYS 30 24.289 9.290 -10.445 204 HG2 LYS 30 HG2 LYS 30 23.380 11.384 -11.439 205 HG3 LYS 30 HG1 LYS 30 23.812 10.750 -13.030 206 HD2 LYS 30 HD2 LYS 30 22.412 8.748 -12.539 207 HD3 LYS 30 HD1 LYS 30 21.892 9.532 -11.047 208 HE2 LYS 30 HE2 LYS 30 20.218 9.887 -12.729 209 HE3 LYS 30 HE1 LYS 30 21.026 11.421 -12.402 210 HZ1 LYS 30 HZ1 LYS 30 20.688 11.008 -14.787 211 HZ2 LYS 30 HZ2 LYS 30 21.663 9.623 -14.678 212 HZ3 LYS 30 HZ3 LYS 30 22.327 11.151 -14.387 213 H TYR 31 HN TYR 31 25.852 9.991 -8.701 214 HA TYR 31 HA TYR 31 25.990 12.813 -7.914 215 HB2 TYR 31 HB2 TYR 31 24.001 10.760 -6.929 216 HB3 TYR 31 HB1 TYR 31 24.397 12.203 -6.004 217 HD1 TYR 31 HD2 TYR 31 23.018 11.058 -9.261 218 HD2 TYR 31 HD1 TYR 31 23.336 14.243 -6.460 219 HE1 TYR 31 HE2 TYR 31 21.329 12.325 -10.517 220 HE2 TYR 31 HE1 TYR 31 21.642 15.514 -7.706 221 HH TYR 31 HH TYR 31 19.695 14.120 -10.100 222 H THR 32 HN THR 32 27.272 13.176 -6.147 223 HA THR 32 HA THR 32 28.936 10.961 -5.299 224 HB THR 32 HB THR 32 29.033 13.843 -4.381 225 HG1 THR 32 HG1 THR 32 29.677 12.700 -6.767 226 HG21 THR 32 HG21 THR 32 30.263 12.286 -2.946 227 HG22 THR 32 HG22 THR 32 31.374 13.319 -3.849 228 HG23 THR 32 HG23 THR 32 31.113 11.648 -4.355 229 H VAL 33 HN VAL 33 27.695 9.653 -4.024 230 HA VAL 33 HA VAL 33 26.021 10.720 -1.938 231 HB VAL 33 HB VAL 33 26.758 7.840 -2.489 232 HG11 VAL 33 HG11 VAL 33 24.489 9.025 -0.892 233 HG12 VAL 33 HG12 VAL 33 25.898 8.189 -0.236 234 HG13 VAL 33 HG13 VAL 33 24.730 7.309 -1.223 235 HG21 VAL 33 HG21 VAL 33 24.614 7.697 -3.662 236 HG22 VAL 33 HG22 VAL 33 25.694 8.859 -4.432 237 HG23 VAL 33 HG23 VAL 33 24.366 9.426 -3.420 238 H GLU 34 HN GLU 34 26.866 11.442 -0.127 239 HA GLU 34 HA GLU 34 29.210 10.075 1.022 240 HB2 GLU 34 HB2 GLU 34 28.115 12.842 1.559 241 HB3 GLU 34 HB1 GLU 34 29.529 12.143 2.336 242 HG2 GLU 34 HG2 GLU 34 30.687 12.046 0.218 243 HG3 GLU 34 HG1 GLU 34 29.258 12.653 -0.617 244 H ILE 35 HN ILE 35 28.653 8.623 2.517 245 HA ILE 35 HA ILE 35 26.132 8.892 3.944 246 HB ILE 35 HB ILE 35 28.194 6.683 4.080 247 HG12 ILE 35 HG12 ILE 35 25.594 6.824 2.533 248 HG13 ILE 35 HG11 ILE 35 27.198 6.974 1.827 249 HG21 ILE 35 HG21 ILE 35 26.384 5.360 5.072 250 HG22 ILE 35 HG22 ILE 35 25.335 6.778 5.041 251 HG23 ILE 35 HG23 ILE 35 26.776 6.769 6.058 252 HD11 ILE 35 HD11 ILE 35 26.275 4.752 1.491 253 HD12 ILE 35 HD12 ILE 35 26.115 4.545 3.235 254 HD13 ILE 35 HD13 ILE 35 27.715 4.693 2.508 255 H VAL 36 HN VAL 36 26.020 9.953 5.811 256 HA VAL 36 HA VAL 36 28.409 10.013 7.548 257 HB VAL 36 HB VAL 36 26.418 12.257 7.143 258 HG11 VAL 36 HG11 VAL 36 27.938 13.571 8.557 259 HG12 VAL 36 HG12 VAL 36 28.917 12.130 8.830 260 HG13 VAL 36 HG13 VAL 36 27.257 12.194 9.423 261 HG21 VAL 36 HG21 VAL 36 29.302 12.030 6.284 262 HG22 VAL 36 HG22 VAL 36 28.297 13.471 6.132 263 HG23 VAL 36 HG23 VAL 36 27.893 12.014 5.223 264 H HIS 37 HN HIS 37 28.088 9.195 9.508 265 HA HIS 37 HA HIS 37 25.341 8.753 10.419 266 HB2 HIS 37 HB2 HIS 37 27.022 6.848 10.309 267 HB3 HIS 37 HB1 HIS 37 27.867 7.629 11.640 268 HD2 HIS 37 HD2 HIS 37 24.428 5.871 10.960 269 HE1 HIS 37 HE1 HIS 37 25.225 5.885 15.113 270 HE2 HIS 37 HE2 HIS 37 23.778 4.905 13.279 271 H LEU 38 HN LEU 38 24.543 10.314 11.629 272 HA LEU 38 HA LEU 38 26.175 12.232 12.988 273 HB2 LEU 38 HB2 LEU 38 23.195 11.767 13.125 274 HB3 LEU 38 HB1 LEU 38 24.031 13.168 13.762 275 HG LEU 38 HG LEU 38 23.878 12.397 10.847 276 HD11 LEU 38 HD11 LEU 38 22.528 14.611 12.384 277 HD12 LEU 38 HD12 LEU 38 21.744 13.182 11.712 278 HD13 LEU 38 HD13 LEU 38 22.463 14.381 10.637 279 HD21 LEU 38 HD21 LEU 38 25.066 14.824 12.184 280 HD22 LEU 38 HD22 LEU 38 24.906 14.578 10.446 281 HD23 LEU 38 HD23 LEU 38 25.965 13.531 11.390 282 H GLY 39 HN GLY 39 25.077 9.164 13.818 283 HA2 GLY 39 HA2 GLY 39 24.802 9.646 16.654 284 HA3 GLY 39 HA1 GLY 39 24.785 8.080 15.853 285 H THR 40 HN THR 40 27.359 8.989 14.474 286 HA THR 40 HA THR 40 29.121 8.006 16.585 287 HB THR 40 HB THR 40 29.706 8.405 13.641 288 HG1 THR 40 HG1 THR 40 28.061 6.785 14.143 289 HG21 THR 40 HG21 THR 40 31.191 6.861 15.772 290 HG22 THR 40 HG22 THR 40 31.716 8.376 15.037 291 HG23 THR 40 HG23 THR 40 31.607 6.912 14.059 292 H ASP 41 HN ASP 41 28.600 10.807 14.533 293 HA ASP 41 HA ASP 41 30.847 12.162 15.879 294 HB2 ASP 41 HB2 ASP 41 31.124 11.795 13.410 295 HB3 ASP 41 HB1 ASP 41 29.704 12.805 13.152 296 H LYS 42 HN LYS 42 30.234 13.714 17.242 297 HA LYS 42 HA LYS 42 27.470 14.559 17.284 298 HB2 LYS 42 HB2 LYS 42 29.784 15.232 19.106 299 HB3 LYS 42 HB1 LYS 42 28.126 15.752 19.368 300 HG2 LYS 42 HG2 LYS 42 27.448 13.372 19.490 301 HG3 LYS 42 HG1 LYS 42 29.149 12.919 19.356 302 HD2 LYS 42 HD2 LYS 42 29.647 14.151 21.406 303 HD3 LYS 42 HD1 LYS 42 27.957 14.641 21.532 304 HE2 LYS 42 HE2 LYS 42 28.342 12.795 23.021 305 HE3 LYS 42 HE1 LYS 42 27.325 12.248 21.690 306 HZ1 LYS 42 HZ1 LYS 42 30.251 11.793 21.953 307 HZ2 LYS 42 HZ2 LYS 42 29.295 11.287 20.645 308 HZ3 LYS 42 HZ3 LYS 42 29.034 10.631 22.184 309 H ALA 43 HN ALA 43 30.377 15.734 15.961 310 HA ALA 43 HA ALA 43 29.732 18.536 16.193 311 HB1 ALA 43 HB1 ALA 43 31.707 18.900 14.809 312 HB2 ALA 43 HB2 ALA 43 31.830 17.166 14.515 313 HB3 ALA 43 HB3 ALA 43 32.065 17.802 16.142 314 H ARG 44 HN ARG 44 29.461 15.989 13.801 315 HA ARG 44 HA ARG 44 28.620 17.566 11.622 316 HB2 ARG 44 HB2 ARG 44 28.017 14.691 12.316 317 HB3 ARG 44 HB1 ARG 44 27.570 15.441 10.790 318 HG2 ARG 44 HG2 ARG 44 30.378 15.139 11.829 319 HG3 ARG 44 HG1 ARG 44 29.616 14.118 10.609 320 HD2 ARG 44 HD2 ARG 44 29.318 16.111 9.179 321 HD3 ARG 44 HD1 ARG 44 30.169 17.076 10.387 322 HE ARG 44 HE ARG 44 32.019 15.297 9.950 323 HH11 ARG 44 HH11 ARG 44 29.937 16.869 7.601 324 HH12 ARG 44 HH12 ARG 44 31.032 16.595 6.276 325 HH21 ARG 44 HH21 ARG 44 33.475 14.978 8.206 326 HH22 ARG 44 HH22 ARG 44 33.048 15.546 6.616 327 H ILE 45 HN ILE 45 26.992 16.611 14.506 328 HA ILE 45 HA ILE 45 24.320 16.847 13.640 329 HB ILE 45 HB ILE 45 25.484 17.420 16.373 330 HG12 ILE 45 HG12 ILE 45 24.174 14.926 15.260 331 HG13 ILE 45 HG11 ILE 45 25.897 15.127 15.556 332 HG21 ILE 45 HG21 ILE 45 22.620 16.902 15.571 333 HG22 ILE 45 HG22 ILE 45 23.284 18.452 16.088 334 HG23 ILE 45 HG23 ILE 45 23.213 17.100 17.220 335 HD11 ILE 45 HD11 ILE 45 24.831 13.835 17.316 336 HD12 ILE 45 HD12 ILE 45 23.735 15.175 17.649 337 HD13 ILE 45 HD13 ILE 45 25.466 15.357 17.941 338 H ALA 46 HN ALA 46 26.649 19.211 14.863 339 HA ALA 46 HA ALA 46 24.879 21.432 14.797 340 HB1 ALA 46 HB1 ALA 46 26.888 22.798 15.007 341 HB2 ALA 46 HB2 ALA 46 27.892 21.395 14.636 342 HB3 ALA 46 HB3 ALA 46 26.942 21.431 16.121 343 H GLU 47 HN GLU 47 27.132 20.018 12.487 344 HA GLU 47 HA GLU 47 26.932 21.965 10.468 345 HB2 GLU 47 HB2 GLU 47 28.665 20.249 10.436 346 HB3 GLU 47 HB1 GLU 47 27.451 18.989 10.268 347 HG2 GLU 47 HG2 GLU 47 26.846 19.847 8.072 348 HG3 GLU 47 HG1 GLU 47 28.028 21.142 8.244 349 H ALA 48 HN ALA 48 25.126 18.963 11.015 350 HA ALA 48 HA ALA 48 23.403 19.163 8.814 351 HB1 ALA 48 HB1 ALA 48 23.717 17.108 10.108 352 HB2 ALA 48 HB2 ALA 48 22.012 17.538 9.972 353 HB3 ALA 48 HB3 ALA 48 22.880 17.844 11.475 354 H GLU 49 HN GLU 49 23.105 20.391 12.123 355 HA GLU 49 HA GLU 49 20.466 21.331 11.939 356 HB2 GLU 49 HB2 GLU 49 21.644 21.137 14.076 357 HB3 GLU 49 HB1 GLU 49 22.761 22.407 13.593 358 HG2 GLU 49 HG2 GLU 49 20.919 24.006 13.523 359 HG3 GLU 49 HG1 GLU 49 19.797 22.733 13.998 360 H LYS 50 HN LYS 50 23.553 22.946 11.258 361 HA LYS 50 HA LYS 50 22.441 25.450 10.570 362 HB2 LYS 50 HB2 LYS 50 25.051 24.184 9.719 363 HB3 LYS 50 HB1 LYS 50 24.631 25.874 9.475 364 HG2 LYS 50 HG2 LYS 50 24.516 26.217 11.874 365 HG3 LYS 50 HG1 LYS 50 24.861 24.509 12.150 366 HD2 LYS 50 HD2 LYS 50 27.038 24.799 11.019 367 HD3 LYS 50 HD1 LYS 50 26.691 26.520 10.838 368 HE2 LYS 50 HE2 LYS 50 26.556 26.743 13.274 369 HE3 LYS 50 HE1 LYS 50 26.907 25.025 13.451 370 HZ1 LYS 50 HZ1 LYS 50 28.717 27.063 12.267 371 HZ2 LYS 50 HZ2 LYS 50 29.060 25.407 12.392 372 HZ3 LYS 50 HZ3 LYS 50 28.886 26.343 13.794 373 H ALA 51 HN ALA 51 23.029 22.517 8.747 374 HA ALA 51 HA ALA 51 22.481 23.642 6.181 375 HB1 ALA 51 HB1 ALA 51 22.387 21.327 5.408 376 HB2 ALA 51 HB2 ALA 51 22.383 20.763 7.078 377 HB3 ALA 51 HB3 ALA 51 23.795 21.598 6.433 378 H GLY 52 HN GLY 52 20.544 22.090 8.675 379 HA2 GLY 52 HA2 GLY 52 18.237 22.921 8.850 380 HA3 GLY 52 HA1 GLY 52 18.146 22.803 7.101 381 H VAL 53 HN VAL 53 19.816 20.242 8.617 382 HA VAL 53 HA VAL 53 17.821 18.352 7.789 383 HB VAL 53 HB VAL 53 20.326 17.882 9.416 384 HG11 VAL 53 HG11 VAL 53 18.602 15.961 7.853 385 HG12 VAL 53 HG12 VAL 53 18.733 16.053 9.610 386 HG13 VAL 53 HG13 VAL 53 20.127 15.561 8.646 387 HG21 VAL 53 HG21 VAL 53 21.358 17.218 7.296 388 HG22 VAL 53 HG22 VAL 53 20.846 18.906 7.267 389 HG23 VAL 53 HG23 VAL 53 19.888 17.680 6.438 390 H LYS 54 HN LYS 54 16.093 17.821 8.935 391 HA LYS 54 HA LYS 54 16.026 18.499 11.780 392 HB2 LYS 54 HB2 LYS 54 13.772 17.732 9.917 393 HB3 LYS 54 HB1 LYS 54 13.594 18.282 11.578 394 HG2 LYS 54 HG2 LYS 54 14.573 20.444 10.947 395 HG3 LYS 54 HG1 LYS 54 14.683 19.887 9.276 396 HD2 LYS 54 HD2 LYS 54 12.704 21.253 9.558 397 HD3 LYS 54 HD1 LYS 54 12.234 19.581 9.247 398 HE2 LYS 54 HE2 LYS 54 10.886 20.608 11.025 399 HE3 LYS 54 HE1 LYS 54 11.816 19.232 11.611 400 HZ1 LYS 54 HZ1 LYS 54 12.726 22.040 11.900 401 HZ2 LYS 54 HZ2 LYS 54 13.350 20.662 12.671 402 HZ3 LYS 54 HZ3 LYS 54 11.810 21.238 13.080 403 H SER 55 HN SER 55 15.767 15.765 9.605 404 HA SER 55 HA SER 55 15.848 13.977 11.902 405 HB2 SER 55 HB2 SER 55 13.721 13.753 9.757 406 HB3 SER 55 HB1 SER 55 13.970 12.625 11.092 407 HG SER 55 HG SER 55 13.770 15.116 12.054 408 H VAL 56 HN VAL 56 16.164 11.693 11.209 409 HA VAL 56 HA VAL 56 17.548 11.484 8.622 410 HB VAL 56 HB VAL 56 19.242 10.020 9.663 411 HG11 VAL 56 HG11 VAL 56 20.514 11.767 10.817 412 HG12 VAL 56 HG12 VAL 56 19.057 12.754 10.921 413 HG13 VAL 56 HG13 VAL 56 19.754 12.374 9.346 414 HG21 VAL 56 HG21 VAL 56 19.477 9.961 12.105 415 HG22 VAL 56 HG22 VAL 56 17.963 9.232 11.573 416 HG23 VAL 56 HG23 VAL 56 17.965 10.853 12.267 417 HA PRO 57 HA PRO 57 18.765 9.672 7.782 418 HB2 PRO 57 HB2 PRO 57 18.280 8.311 5.511 419 HB3 PRO 57 HB1 PRO 57 18.839 7.512 6.984 420 HG2 PRO 57 HG2 PRO 57 16.084 7.670 5.842 421 HG3 PRO 57 HG1 PRO 57 16.904 6.298 6.607 422 HD2 PRO 57 HD2 PRO 57 15.080 7.912 7.880 423 HD3 PRO 57 HD1 PRO 57 16.344 6.990 8.713 424 H ALA 58 HN ALA 58 19.234 11.151 6.184 425 HA ALA 58 HA ALA 58 17.003 12.230 4.612 426 HB1 ALA 58 HB1 ALA 58 17.223 13.647 6.597 427 HB2 ALA 58 HB2 ALA 58 17.668 14.518 5.129 428 HB3 ALA 58 HB3 ALA 58 18.923 13.919 6.214 429 H LEU 59 HN LEU 59 17.520 12.630 2.565 430 HA LEU 59 HA LEU 59 20.329 12.362 1.769 431 HB2 LEU 59 HB2 LEU 59 18.684 10.885 0.688 432 HB3 LEU 59 HB1 LEU 59 17.795 12.287 0.123 433 HG LEU 59 HG LEU 59 19.753 12.939 -1.252 434 HD11 LEU 59 HD11 LEU 59 21.501 11.870 0.061 435 HD12 LEU 59 HD12 LEU 59 21.545 11.324 -1.616 436 HD13 LEU 59 HD13 LEU 59 20.863 10.282 -0.366 437 HD21 LEU 59 HD21 LEU 59 17.932 11.666 -2.232 438 HD22 LEU 59 HD22 LEU 59 18.695 10.157 -1.730 439 HD23 LEU 59 HD23 LEU 59 19.475 11.183 -2.936 440 H VAL 60 HN VAL 60 21.301 14.295 1.889 441 HA VAL 60 HA VAL 60 19.856 16.702 1.091 442 HB VAL 60 HB VAL 60 22.638 16.418 2.248 443 HG11 VAL 60 HG11 VAL 60 22.377 18.471 0.964 444 HG12 VAL 60 HG12 VAL 60 22.468 18.823 2.691 445 HG13 VAL 60 HG13 VAL 60 20.912 18.862 1.863 446 HG21 VAL 60 HG21 VAL 60 20.034 17.163 3.575 447 HG22 VAL 60 HG22 VAL 60 21.623 17.208 4.339 448 HG23 VAL 60 HG23 VAL 60 20.939 15.669 3.817 449 H ILE 61 HN ILE 61 19.756 16.805 -1.071 450 HA ILE 61 HA ILE 61 22.138 16.233 -2.667 451 HB ILE 61 HB ILE 61 19.328 16.883 -3.583 452 HG12 ILE 61 HG12 ILE 61 20.756 14.215 -3.438 453 HG13 ILE 61 HG11 ILE 61 19.480 14.742 -2.346 454 HG21 ILE 61 HG21 ILE 61 20.083 16.072 -5.766 455 HG22 ILE 61 HG22 ILE 61 21.707 15.838 -5.118 456 HG23 ILE 61 HG23 ILE 61 21.029 17.462 -5.233 457 HD11 ILE 61 HD11 ILE 61 19.185 14.322 -5.311 458 HD12 ILE 61 HD12 ILE 61 17.908 14.811 -4.197 459 HD13 ILE 61 HD13 ILE 61 18.645 13.215 -4.049 460 H ASP 62 HN ASP 62 23.493 17.904 -2.692 461 HA ASP 62 HA ASP 62 24.373 19.941 -3.163 462 HB2 ASP 62 HB2 ASP 62 23.227 19.381 -5.342 463 HB3 ASP 62 HB1 ASP 62 21.885 20.390 -4.818 464 H GLY 63 HN GLY 63 22.585 19.671 -0.856 465 HA2 GLY 63 HA2 GLY 63 22.452 21.472 0.766 466 HA3 GLY 63 HA1 GLY 63 21.953 22.535 -0.540 467 H ALA 64 HN ALA 64 20.164 20.316 -1.568 468 HA ALA 64 HA ALA 64 17.861 21.085 0.013 469 HB1 ALA 64 HB1 ALA 64 17.726 21.064 -2.435 470 HB2 ALA 64 HB2 ALA 64 16.555 19.963 -1.713 471 HB3 ALA 64 HB3 ALA 64 18.032 19.328 -2.435 472 H ALA 65 HN ALA 65 17.388 19.998 1.798 473 HA ALA 65 HA ALA 65 18.351 17.298 2.183 474 HB1 ALA 65 HB1 ALA 65 18.552 18.935 3.988 475 HB2 ALA 65 HB2 ALA 65 17.569 17.553 4.473 476 HB3 ALA 65 HB3 ALA 65 16.796 19.081 4.050 477 H PHE 66 HN PHE 66 17.210 15.680 1.359 478 HA PHE 66 HA PHE 66 14.278 15.793 1.540 479 HB2 PHE 66 HB2 PHE 66 16.065 14.023 -0.143 480 HB3 PHE 66 HB1 PHE 66 14.309 13.915 -0.094 481 HD1 PHE 66 HD1 PHE 66 12.982 15.977 -0.785 482 HD2 PHE 66 HD2 PHE 66 17.126 15.480 -1.617 483 HE1 PHE 66 HE1 PHE 66 12.822 17.669 -2.562 484 HE2 PHE 66 HE2 PHE 66 16.973 17.172 -3.397 485 HZ PHE 66 HZ PHE 66 14.820 18.270 -3.869 486 H HIS 67 HN HIS 67 13.774 15.077 3.517 487 HA HIS 67 HA HIS 67 15.185 13.045 4.914 488 HB2 HIS 67 HB2 HIS 67 12.387 14.122 5.355 489 HB3 HIS 67 HB1 HIS 67 13.286 13.130 6.497 490 HD1 HIS 67 HD1 HIS 67 13.171 16.624 5.077 491 HD2 HIS 67 HD2 HIS 67 15.194 14.452 7.989 492 HE1 HIS 67 HE1 HIS 67 14.417 18.314 6.489 493 H ILE 68 HN ILE 68 14.913 10.879 4.933 494 HA ILE 68 HA ILE 68 12.864 9.786 3.118 495 HB ILE 68 HB ILE 68 15.447 8.486 4.013 496 HG12 ILE 68 HG12 ILE 68 14.756 9.757 1.352 497 HG13 ILE 68 HG11 ILE 68 15.820 10.464 2.563 498 HG21 ILE 68 HG21 ILE 68 14.971 6.865 2.237 499 HG22 ILE 68 HG22 ILE 68 13.441 7.678 1.910 500 HG23 ILE 68 HG23 ILE 68 13.702 6.882 3.462 501 HD11 ILE 68 HD11 ILE 68 16.296 7.888 1.084 502 HD12 ILE 68 HD12 ILE 68 17.363 8.594 2.297 503 HD13 ILE 68 HD13 ILE 68 17.086 9.432 0.771 504 H ASN 69 HN ASN 69 11.157 9.333 4.370 505 HA ASN 69 HA ASN 69 9.842 8.443 5.994 506 HB2 ASN 69 HB2 ASN 69 12.187 6.550 6.181 507 HB3 ASN 69 HB1 ASN 69 10.766 6.376 7.205 508 HD21 ASN 69 HD21 ASN 69 11.850 4.611 5.137 509 HD22 ASN 69 HD22 ASN 69 10.567 4.372 4.003 510 H PHE 70 HN PHE 70 10.412 7.472 8.574 511 HA PHE 70 HA PHE 70 11.928 9.696 9.756 512 HB2 PHE 70 HB2 PHE 70 9.433 10.008 9.942 513 HB3 PHE 70 HB1 PHE 70 9.387 8.552 10.931 514 HD1 PHE 70 HD1 PHE 70 10.457 12.049 10.771 515 HD2 PHE 70 HD2 PHE 70 10.191 8.564 13.200 516 HE1 PHE 70 HE1 PHE 70 10.944 13.406 12.763 517 HE2 PHE 70 HE2 PHE 70 10.677 9.916 15.196 518 HZ PHE 70 HZ PHE 70 11.054 12.340 14.979 519 H GLY 71 HN GLY 71 13.684 8.802 10.598 520 HA2 GLY 71 HA2 GLY 71 13.391 6.274 12.086 521 HA3 GLY 71 HA1 GLY 71 14.900 6.879 11.414 522 H ALA 72 HN ALA 72 15.445 9.170 12.280 523 HA ALA 72 HA ALA 72 14.690 9.472 15.095 524 HB1 ALA 72 HB1 ALA 72 17.550 9.429 14.123 525 HB2 ALA 72 HB2 ALA 72 16.776 8.196 15.118 526 HB3 ALA 72 HB3 ALA 72 17.022 9.819 15.760 527 H GLY 73 HN GLY 73 14.902 11.639 15.865 528 HA2 GLY 73 HA2 GLY 73 15.219 13.606 13.692 529 HA3 GLY 73 HA1 GLY 73 14.247 13.849 15.138 530 H ILE 74 HN ILE 74 16.366 15.548 14.084 531 HA ILE 74 HA ILE 74 18.718 15.225 15.648 532 HB ILE 74 HB ILE 74 18.623 16.614 13.584 533 HG12 ILE 74 HG12 ILE 74 19.505 18.122 16.056 534 HG13 ILE 74 HG11 ILE 74 20.446 16.889 15.224 535 HG21 ILE 74 HG21 ILE 74 17.101 18.553 15.320 536 HG22 ILE 74 HG22 ILE 74 16.472 17.686 13.920 537 HG23 ILE 74 HG23 ILE 74 17.734 18.900 13.712 538 HD11 ILE 74 HD11 ILE 74 19.599 19.540 14.083 539 HD12 ILE 74 HD12 ILE 74 20.526 18.306 13.233 540 HD13 ILE 74 HD13 ILE 74 21.214 19.110 14.645 541 H ASP 75 HN ASP 75 15.592 16.535 16.229 542 HA ASP 75 HA ASP 75 16.160 18.112 18.511 543 HB2 ASP 75 HB2 ASP 75 13.595 16.688 17.755 544 HB3 ASP 75 HB1 ASP 75 13.743 17.986 18.935 545 H ASP 76 HN ASP 76 15.813 14.721 17.971 546 HA ASP 76 HA ASP 76 15.423 14.058 20.766 547 HB2 ASP 76 HB2 ASP 76 16.036 12.267 18.400 548 HB3 ASP 76 HB1 ASP 76 15.569 11.722 20.005 549 H LEU 77 HN LEU 77 17.995 14.268 18.437 550 HA LEU 77 HA LEU 77 19.899 12.680 19.811 551 HB2 LEU 77 HB2 LEU 77 20.312 14.854 17.758 552 HB3 LEU 77 HB1 LEU 77 21.535 13.711 18.278 553 HG LEU 77 HG LEU 77 18.978 12.997 16.835 554 HD11 LEU 77 HD11 LEU 77 20.441 12.482 14.953 555 HD12 LEU 77 HD12 LEU 77 21.834 13.046 15.873 556 HD13 LEU 77 HD13 LEU 77 20.567 14.180 15.409 557 HD21 LEU 77 HD21 LEU 77 21.332 11.286 17.631 558 HD22 LEU 77 HD22 LEU 77 19.948 10.764 16.670 559 HD23 LEU 77 HD23 LEU 77 19.724 11.233 18.356 560 H LYS 78 HN LYS 78 18.802 15.892 20.280 561 HA LYS 78 HA LYS 78 21.215 16.893 21.461 562 HB2 LYS 78 HB2 LYS 78 18.396 17.975 21.522 563 HB3 LYS 78 HB1 LYS 78 19.804 18.819 22.151 564 HG2 LYS 78 HG2 LYS 78 20.791 18.759 19.878 565 HG3 LYS 78 HG1 LYS 78 19.284 18.054 19.288 566 HD2 LYS 78 HD2 LYS 78 18.057 20.023 20.023 567 HD3 LYS 78 HD1 LYS 78 19.542 20.721 20.673 568 HE2 LYS 78 HE2 LYS 78 20.504 20.644 18.380 569 HE3 LYS 78 HE1 LYS 78 18.929 20.118 17.786 570 HZ1 LYS 78 HZ1 LYS 78 19.447 22.670 19.216 571 HZ2 LYS 78 HZ2 LYS 78 17.964 22.175 18.555 572 HZ3 LYS 78 HZ3 LYS 78 19.281 22.510 17.533 573 H GLY 79 HN GLY 79 21.574 15.148 22.971 574 HA2 GLY 79 HA2 GLY 79 21.906 14.820 25.247 575 HA3 GLY 79 HA1 GLY 79 20.639 15.989 25.577 576 H SER 80 HN SER 80 18.530 14.839 24.181 577 HA SER 80 HA SER 80 16.788 13.431 24.524 578 HB2 SER 80 HB2 SER 80 18.899 11.424 25.359 579 HB3 SER 80 HB1 SER 80 17.220 11.056 24.968 580 HG SER 80 HG SER 80 18.182 12.409 22.922 581 H1 VAL 1 HT1 VAL 1 16.493 -6.716 -17.384 582 H2 VAL 1 HT2 VAL 1 16.618 -6.491 -15.708 583 H3 VAL 1 HT3 VAL 1 17.286 -5.349 -16.770 584 HA VAL 1 HA VAL 1 15.074 -4.809 -17.594 585 HB VAL 1 HB VAL 1 14.123 -6.599 -15.345 586 HG11 VAL 1 HG11 VAL 1 11.877 -6.120 -16.218 587 HG12 VAL 1 HG12 VAL 1 12.580 -4.995 -17.380 588 HG13 VAL 1 HG13 VAL 1 12.694 -4.663 -15.652 589 HG21 VAL 1 HG21 VAL 1 13.167 -8.016 -17.098 590 HG22 VAL 1 HG22 VAL 1 14.924 -7.922 -17.228 591 HG23 VAL 1 HG23 VAL 1 13.907 -6.991 -18.329 592 H ALA 2 HN ALA 2 14.508 -2.834 -16.865 593 HA ALA 2 HA ALA 2 15.710 -1.906 -14.410 594 HB1 ALA 2 HB1 ALA 2 15.752 -0.507 -16.421 595 HB2 ALA 2 HB2 ALA 2 14.923 0.300 -15.089 596 HB3 ALA 2 HB3 ALA 2 13.989 -0.425 -16.399 597 H SER 3 HN SER 3 14.755 -1.951 -12.505 598 HA SER 3 HA SER 3 12.013 -2.620 -12.141 599 HB2 SER 3 HB2 SER 3 14.005 -1.492 -10.154 600 HB3 SER 3 HB1 SER 3 12.492 -2.310 -9.762 601 HG SER 3 HG SER 3 13.508 -4.126 -9.929 602 H LYS 4 HN LYS 4 10.423 -1.199 -10.984 603 HA LYS 4 HA LYS 4 10.790 1.538 -11.987 604 HB2 LYS 4 HB2 LYS 4 8.527 1.715 -12.443 605 HB3 LYS 4 HB1 LYS 4 8.885 0.053 -12.879 606 HG2 LYS 4 HG2 LYS 4 7.836 -0.776 -10.916 607 HG3 LYS 4 HG1 LYS 4 7.705 0.848 -10.227 608 HD2 LYS 4 HD2 LYS 4 6.276 1.462 -12.200 609 HD3 LYS 4 HD1 LYS 4 6.270 -0.245 -12.645 610 HE2 LYS 4 HE2 LYS 4 5.188 -0.825 -10.570 611 HE3 LYS 4 HE1 LYS 4 5.307 0.841 -10.003 612 HZ1 LYS 4 HZ1 LYS 4 3.851 1.522 -11.826 613 HZ2 LYS 4 HZ2 LYS 4 3.096 0.365 -10.835 614 HZ3 LYS 4 HZ3 LYS 4 3.726 -0.093 -12.342 615 H ALA 5 HN ALA 5 10.138 3.297 -10.800 616 HA ALA 5 HA ALA 5 9.714 2.834 -7.923 617 HB1 ALA 5 HB1 ALA 5 11.984 3.658 -8.335 618 HB2 ALA 5 HB2 ALA 5 11.016 4.855 -7.474 619 HB3 ALA 5 HB3 ALA 5 11.324 5.046 -9.201 620 H ILE 6 HN ILE 6 7.804 3.548 -7.300 621 HA ILE 6 HA ILE 6 6.388 5.434 -9.039 622 HB ILE 6 HB ILE 6 4.385 4.665 -7.573 623 HG12 ILE 6 HG12 ILE 6 6.378 2.434 -7.097 624 HG13 ILE 6 HG11 ILE 6 5.664 3.475 -5.872 625 HG21 ILE 6 HG21 ILE 6 4.002 2.771 -9.086 626 HG22 ILE 6 HG22 ILE 6 5.695 2.833 -9.578 627 HG23 ILE 6 HG23 ILE 6 4.622 4.187 -9.937 628 HD11 ILE 6 HD11 ILE 6 4.199 1.463 -7.565 629 HD12 ILE 6 HD12 ILE 6 3.464 2.521 -6.361 630 HD13 ILE 6 HD13 ILE 6 4.626 1.292 -5.862 631 H PHE 7 HN PHE 7 6.211 7.450 -8.461 632 HA PHE 7 HA PHE 7 6.706 8.191 -5.662 633 HB2 PHE 7 HB2 PHE 7 8.167 9.201 -7.388 634 HB3 PHE 7 HB1 PHE 7 6.750 9.900 -8.163 635 HD1 PHE 7 HD1 PHE 7 8.646 9.892 -4.969 636 HD2 PHE 7 HD2 PHE 7 6.001 12.006 -7.545 637 HE1 PHE 7 HE1 PHE 7 8.877 11.893 -3.559 638 HE2 PHE 7 HE2 PHE 7 6.227 14.010 -6.137 639 HZ PHE 7 HZ PHE 7 7.664 13.955 -4.142 640 H TYR 8 HN TYR 8 5.037 8.745 -4.444 641 HA TYR 8 HA TYR 8 2.476 9.313 -5.772 642 HB2 TYR 8 HB2 TYR 8 3.137 8.164 -3.061 643 HB3 TYR 8 HB1 TYR 8 1.523 8.731 -3.475 644 HD1 TYR 8 HD1 TYR 8 4.117 6.227 -4.306 645 HD2 TYR 8 HD2 TYR 8 0.069 7.420 -4.799 646 HE1 TYR 8 HE1 TYR 8 3.596 4.037 -5.292 647 HE2 TYR 8 HE2 TYR 8 -0.465 5.234 -5.786 648 HH TYR 8 HH TYR 8 1.631 2.584 -5.619 649 H HIS 9 HN HIS 9 1.615 11.261 -5.629 650 HA HIS 9 HA HIS 9 1.767 12.759 -3.187 651 HB2 HIS 9 HB2 HIS 9 2.741 14.778 -4.059 652 HB3 HIS 9 HB1 HIS 9 3.863 13.456 -4.336 653 HD2 HIS 9 HD2 HIS 9 4.185 12.711 -7.041 654 HE1 HIS 9 HE1 HIS 9 2.397 16.263 -8.479 655 HE2 HIS 9 HE2 HIS 9 4.037 14.404 -9.005 656 H ALA 10 HN ALA 10 0.433 14.833 -3.416 657 HA ALA 10 HA ALA 10 -1.795 14.277 -5.266 658 HB1 ALA 10 HB1 ALA 10 -3.344 14.983 -3.517 659 HB2 ALA 10 HB2 ALA 10 -1.993 15.244 -2.416 660 HB3 ALA 10 HB3 ALA 10 -2.365 13.617 -2.984 661 H GLY 11 HN GLY 11 0.521 16.184 -5.419 662 HA2 GLY 11 HA2 GLY 11 0.684 18.297 -6.398 663 HA3 GLY 11 HA1 GLY 11 -1.028 18.548 -6.080 664 H CYS 12 HN CYS 12 2.119 18.356 -4.491 665 HA CYS 12 HA CYS 12 1.177 20.329 -2.522 666 HB2 CYS 12 HB2 CYS 12 3.063 18.020 -1.985 667 HB3 CYS 12 HB1 CYS 12 2.497 19.199 -0.807 668 HG CYS 12 HG CYS 12 -0.155 18.351 -0.875 669 HA PRO 13 HA PRO 13 4.720 22.711 -3.747 670 HB2 PRO 13 HB2 PRO 13 5.353 23.872 -1.335 671 HB3 PRO 13 HB1 PRO 13 4.067 24.439 -2.404 672 HG2 PRO 13 HG2 PRO 13 3.884 22.709 0.028 673 HG3 PRO 13 HG1 PRO 13 2.821 24.030 -0.491 674 HD2 PRO 13 HD2 PRO 13 2.145 21.452 -0.831 675 HD3 PRO 13 HD1 PRO 13 1.703 22.696 -2.018 676 H VAL 14 HN VAL 14 4.835 20.367 -1.235 677 HA VAL 14 HA VAL 14 7.674 20.467 -0.798 678 HB VAL 14 HB VAL 14 5.669 18.343 -0.010 679 HG11 VAL 14 HG11 VAL 14 7.951 17.490 -0.011 680 HG12 VAL 14 HG12 VAL 14 7.341 17.653 1.636 681 HG13 VAL 14 HG13 VAL 14 8.469 18.846 0.991 682 HG21 VAL 14 HG21 VAL 14 5.106 20.498 0.954 683 HG22 VAL 14 HG22 VAL 14 6.755 20.681 1.553 684 HG23 VAL 14 HG23 VAL 14 5.719 19.409 2.199 685 H CYS 15 HN CYS 15 5.441 18.412 -2.638 686 HA CYS 15 HA CYS 15 7.482 16.496 -3.250 687 HB2 CYS 15 HB2 CYS 15 5.733 15.481 -4.719 688 HB3 CYS 15 HB1 CYS 15 5.250 15.675 -3.039 689 HG CYS 15 HG CYS 15 3.547 16.488 -5.573 690 H VAL 16 HN VAL 16 6.373 19.418 -4.695 691 HA VAL 16 HA VAL 16 7.044 19.021 -7.370 692 HB VAL 16 HB VAL 16 7.390 21.550 -5.741 693 HG11 VAL 16 HG11 VAL 16 8.654 21.655 -7.821 694 HG12 VAL 16 HG12 VAL 16 7.253 22.723 -7.890 695 HG13 VAL 16 HG13 VAL 16 7.221 21.174 -8.731 696 HG21 VAL 16 HG21 VAL 16 5.200 22.176 -6.631 697 HG22 VAL 16 HG22 VAL 16 5.104 20.689 -5.687 698 HG23 VAL 16 HG23 VAL 16 5.084 20.619 -7.449 699 H SER 17 HN SER 17 9.086 20.148 -4.688 700 HA SER 17 HA SER 17 11.465 20.384 -6.164 701 HB2 SER 17 HB2 SER 17 11.220 19.731 -3.220 702 HB3 SER 17 HB1 SER 17 12.565 20.538 -4.027 703 HG SER 17 HG SER 17 11.508 22.358 -3.952 704 H ALA 18 HN ALA 18 10.065 17.692 -4.344 705 HA ALA 18 HA ALA 18 12.295 15.964 -4.560 706 HB1 ALA 18 HB1 ALA 18 10.516 15.659 -2.898 707 HB2 ALA 18 HB2 ALA 18 10.773 14.203 -3.859 708 HB3 ALA 18 HB3 ALA 18 9.389 15.245 -4.190 709 H GLU 19 HN GLU 19 9.445 16.475 -6.568 710 HA GLU 19 HA GLU 19 9.843 14.258 -8.282 711 HB2 GLU 19 HB2 GLU 19 7.703 15.539 -7.974 712 HB3 GLU 19 HB1 GLU 19 8.411 16.842 -8.915 713 HG2 GLU 19 HG2 GLU 19 8.655 15.276 -10.815 714 HG3 GLU 19 HG1 GLU 19 7.820 14.049 -9.864 715 H GLN 20 HN GLN 20 11.139 17.508 -8.238 716 HA GLN 20 HA GLN 20 12.225 17.190 -10.926 717 HB2 GLN 20 HB2 GLN 20 12.303 19.527 -9.017 718 HB3 GLN 20 HB1 GLN 20 13.007 19.534 -10.629 719 HG2 GLN 20 HG2 GLN 20 10.786 19.119 -11.587 720 HG3 GLN 20 HG1 GLN 20 10.094 19.162 -9.965 721 HE21 GLN 20 HE21 GLN 20 9.553 20.853 -12.282 722 HE22 GLN 20 HE22 GLN 20 9.862 22.478 -11.769 723 H ALA 21 HN ALA 21 13.275 16.949 -7.632 724 HA ALA 21 HA ALA 21 16.082 17.020 -8.479 725 HB1 ALA 21 HB1 ALA 21 14.954 17.005 -5.689 726 HB2 ALA 21 HB2 ALA 21 15.472 18.435 -6.582 727 HB3 ALA 21 HB3 ALA 21 16.649 17.201 -6.132 728 H VAL 22 HN VAL 22 14.067 15.022 -6.294 729 HA VAL 22 HA VAL 22 15.978 12.943 -6.124 730 HB VAL 22 HB VAL 22 13.005 12.751 -5.601 731 HG11 VAL 22 HG11 VAL 22 15.297 11.044 -4.632 732 HG12 VAL 22 HG12 VAL 22 14.067 10.569 -5.803 733 HG13 VAL 22 HG13 VAL 22 13.613 10.887 -4.129 734 HG21 VAL 22 HG21 VAL 22 14.003 14.541 -4.295 735 HG22 VAL 22 HG22 VAL 22 15.264 13.447 -3.728 736 HG23 VAL 22 HG23 VAL 22 13.586 13.178 -3.256 737 H ALA 23 HN ALA 23 13.129 13.423 -8.159 738 HA ALA 23 HA ALA 23 13.444 10.875 -9.469 739 HB1 ALA 23 HB1 ALA 23 11.226 11.891 -9.152 740 HB2 ALA 23 HB2 ALA 23 11.575 11.547 -10.848 741 HB3 ALA 23 HB3 ALA 23 11.688 13.200 -10.241 742 H ASN 24 HN ASN 24 15.313 13.482 -9.594 743 HA ASN 24 HA ASN 24 16.045 12.949 -12.396 744 HB2 ASN 24 HB2 ASN 24 16.209 15.394 -10.733 745 HB3 ASN 24 HB1 ASN 24 17.611 15.069 -11.750 746 HD21 ASN 24 HD21 ASN 24 14.422 14.037 -12.682 747 HD22 ASN 24 HD22 ASN 24 14.213 15.175 -13.972 748 H ALA 25 HN ALA 25 16.968 12.735 -9.084 749 HA ALA 25 HA ALA 25 19.688 12.003 -9.478 750 HB1 ALA 25 HB1 ALA 25 19.546 11.069 -7.212 751 HB2 ALA 25 HB2 ALA 25 17.793 11.266 -7.240 752 HB3 ALA 25 HB3 ALA 25 18.842 12.683 -7.285 753 H ILE 26 HN ILE 26 16.683 10.182 -9.085 754 HA ILE 26 HA ILE 26 17.948 7.855 -10.349 755 HB ILE 26 HB ILE 26 15.190 8.072 -9.114 756 HG12 ILE 26 HG12 ILE 26 17.694 6.797 -7.984 757 HG13 ILE 26 HG11 ILE 26 17.021 8.335 -7.452 758 HG21 ILE 26 HG21 ILE 26 15.337 6.352 -10.823 759 HG22 ILE 26 HG22 ILE 26 15.208 5.620 -9.224 760 HG23 ILE 26 HG23 ILE 26 16.767 5.676 -10.046 761 HD11 ILE 26 HD11 ILE 26 15.669 5.654 -7.249 762 HD12 ILE 26 HD12 ILE 26 14.998 7.194 -6.710 763 HD13 ILE 26 HD13 ILE 26 16.438 6.537 -5.930 764 H ASP 27 HN ASP 27 18.000 8.331 -12.493 765 HA ASP 27 HA ASP 27 15.856 9.788 -13.735 766 HB2 ASP 27 HB2 ASP 27 17.201 9.579 -15.796 767 HB3 ASP 27 HB1 ASP 27 18.133 10.226 -14.453 768 HA PRO 28 HA PRO 28 13.204 6.537 -14.949 769 HB2 PRO 28 HB2 PRO 28 12.948 7.966 -17.540 770 HB3 PRO 28 HB1 PRO 28 11.696 7.492 -16.385 771 HG2 PRO 28 HG2 PRO 28 12.453 10.032 -16.591 772 HG3 PRO 28 HG1 PRO 28 12.094 9.317 -15.007 773 HD2 PRO 28 HD2 PRO 28 14.746 9.893 -16.271 774 HD3 PRO 28 HD1 PRO 28 14.234 10.096 -14.583 775 H SER 29 HN SER 29 15.946 7.348 -16.887 776 HA SER 29 HA SER 29 15.643 5.050 -18.625 777 HB2 SER 29 HB2 SER 29 18.094 5.989 -19.224 778 HB3 SER 29 HB1 SER 29 16.613 6.686 -19.883 779 HG SER 29 HG SER 29 17.988 7.580 -17.546 780 H LYS 30 HN LYS 30 16.900 5.678 -15.568 781 HA LYS 30 HA LYS 30 18.720 3.377 -15.677 782 HB2 LYS 30 HB2 LYS 30 19.439 5.537 -14.580 783 HB3 LYS 30 HB1 LYS 30 18.202 5.260 -13.365 784 HG2 LYS 30 HG2 LYS 30 19.314 3.145 -12.758 785 HG3 LYS 30 HG1 LYS 30 20.585 3.510 -13.928 786 HD2 LYS 30 HD2 LYS 30 21.048 5.612 -12.697 787 HD3 LYS 30 HD1 LYS 30 19.855 5.131 -11.490 788 HE2 LYS 30 HE2 LYS 30 22.058 4.575 -10.695 789 HE3 LYS 30 HE1 LYS 30 21.176 3.090 -11.052 790 HZ1 LYS 30 HZ1 LYS 30 22.369 2.878 -13.114 791 HZ2 LYS 30 HZ2 LYS 30 23.483 3.057 -11.851 792 HZ3 LYS 30 HZ3 LYS 30 23.145 4.367 -12.876 793 H TYR 31 HN TYR 31 16.004 4.674 -13.820 794 HA TYR 31 HA TYR 31 14.941 1.950 -13.576 795 HB2 TYR 31 HB2 TYR 31 15.077 4.007 -11.354 796 HB3 TYR 31 HB1 TYR 31 14.080 2.560 -11.290 797 HD1 TYR 31 HD2 TYR 31 15.189 0.311 -11.261 798 HD2 TYR 31 HD1 TYR 31 17.393 3.926 -10.853 799 HE1 TYR 31 HE2 TYR 31 17.083 -0.954 -10.331 800 HE2 TYR 31 HE1 TYR 31 19.290 2.672 -9.924 801 HH TYR 31 HH TYR 31 19.726 0.563 -8.793 802 H THR 32 HN THR 32 12.672 1.861 -13.729 803 HA THR 32 HA THR 32 11.581 3.977 -15.303 804 HB THR 32 HB THR 32 10.104 1.613 -14.133 805 HG1 THR 32 HG1 THR 32 11.885 1.857 -16.309 806 HG21 THR 32 HG21 THR 32 8.664 3.360 -15.080 807 HG22 THR 32 HG22 THR 32 8.633 1.902 -16.071 808 HG23 THR 32 HG23 THR 32 9.577 3.299 -16.587 809 H VAL 33 HN VAL 33 11.359 5.847 -14.129 810 HA VAL 33 HA VAL 33 10.047 5.845 -11.559 811 HB VAL 33 HB VAL 33 10.874 8.194 -13.275 812 HG11 VAL 33 HG11 VAL 33 10.739 9.479 -11.187 813 HG12 VAL 33 HG12 VAL 33 10.129 8.049 -10.354 814 HG13 VAL 33 HG13 VAL 33 9.176 8.795 -11.637 815 HG21 VAL 33 HG21 VAL 33 12.313 6.845 -10.993 816 HG22 VAL 33 HG22 VAL 33 12.823 8.335 -11.788 817 HG23 VAL 33 HG23 VAL 33 12.792 6.820 -12.691 818 H GLU 34 HN GLU 34 7.943 5.947 -11.254 819 HA GLU 34 HA GLU 34 6.252 7.040 -13.404 820 HB2 GLU 34 HB2 GLU 34 5.950 4.648 -13.348 821 HB3 GLU 34 HB1 GLU 34 5.744 4.666 -11.603 822 HG2 GLU 34 HG2 GLU 34 3.623 5.665 -11.760 823 HG3 GLU 34 HG1 GLU 34 3.863 6.098 -13.451 824 H ILE 35 HN ILE 35 5.215 8.806 -12.811 825 HA ILE 35 HA ILE 35 5.016 9.502 -9.992 826 HB ILE 35 HB ILE 35 4.223 11.107 -12.429 827 HG12 ILE 35 HG12 ILE 35 6.629 10.653 -12.399 828 HG13 ILE 35 HG11 ILE 35 6.312 12.350 -12.059 829 HG21 ILE 35 HG21 ILE 35 4.230 13.027 -10.907 830 HG22 ILE 35 HG22 ILE 35 4.564 11.946 -9.554 831 HG23 ILE 35 HG23 ILE 35 3.039 11.815 -10.430 832 HD11 ILE 35 HD11 ILE 35 6.981 10.237 -10.022 833 HD12 ILE 35 HD12 ILE 35 6.670 11.940 -9.682 834 HD13 ILE 35 HD13 ILE 35 8.075 11.475 -10.640 835 H VAL 36 HN VAL 36 3.222 9.285 -8.822 836 HA VAL 36 HA VAL 36 0.688 8.776 -10.242 837 HB VAL 36 HB VAL 36 1.417 7.873 -7.448 838 HG11 VAL 36 HG11 VAL 36 -0.973 8.192 -7.786 839 HG12 VAL 36 HG12 VAL 36 -0.586 6.477 -7.640 840 HG13 VAL 36 HG13 VAL 36 -0.918 7.173 -9.225 841 HG21 VAL 36 HG21 VAL 36 2.795 6.714 -9.091 842 HG22 VAL 36 HG22 VAL 36 1.356 6.283 -10.014 843 HG23 VAL 36 HG23 VAL 36 1.598 5.620 -8.398 844 H HIS 37 HN HIS 37 -0.368 10.650 -10.291 845 HA HIS 37 HA HIS 37 -0.201 12.511 -8.054 846 HB2 HIS 37 HB2 HIS 37 -0.027 13.176 -10.516 847 HB3 HIS 37 HB1 HIS 37 -1.757 12.872 -10.614 848 HD2 HIS 37 HD2 HIS 37 0.725 15.522 -9.335 849 HE1 HIS 37 HE1 HIS 37 -3.203 16.900 -8.601 850 HE2 HIS 37 HE2 HIS 37 -0.777 17.575 -8.855 851 H LEU 38 HN LEU 38 -1.522 12.140 -6.413 852 HA LEU 38 HA LEU 38 -3.919 10.598 -6.679 853 HB2 LEU 38 HB2 LEU 38 -3.009 12.196 -4.290 854 HB3 LEU 38 HB1 LEU 38 -4.153 10.868 -4.298 855 HG LEU 38 HG LEU 38 -1.178 10.715 -4.764 856 HD11 LEU 38 HD11 LEU 38 -1.231 9.268 -2.796 857 HD12 LEU 38 HD12 LEU 38 -2.968 9.531 -2.650 858 HD13 LEU 38 HD13 LEU 38 -1.850 10.878 -2.435 859 HD21 LEU 38 HD21 LEU 38 -2.296 9.209 -6.314 860 HD22 LEU 38 HD22 LEU 38 -3.233 8.521 -4.988 861 HD23 LEU 38 HD23 LEU 38 -1.484 8.306 -5.036 862 H GLY 39 HN GLY 39 -3.200 13.912 -6.962 863 HA2 GLY 39 HA2 GLY 39 -5.814 14.889 -6.229 864 HA3 GLY 39 HA1 GLY 39 -4.539 15.806 -7.023 865 H THR 40 HN THR 40 -4.362 13.508 -9.004 866 HA THR 40 HA THR 40 -6.297 14.537 -10.873 867 HB THR 40 HB THR 40 -4.272 12.306 -11.180 868 HG1 THR 40 HG1 THR 40 -3.278 14.324 -10.844 869 HG21 THR 40 HG21 THR 40 -4.594 12.620 -13.592 870 HG22 THR 40 HG22 THR 40 -5.860 13.804 -13.270 871 HG23 THR 40 HG23 THR 40 -6.092 12.118 -12.809 872 H ASP 41 HN ASP 41 -5.672 11.478 -9.191 873 HA ASP 41 HA ASP 41 -8.463 10.727 -9.718 874 HB2 ASP 41 HB2 ASP 41 -6.073 8.884 -9.924 875 HB3 ASP 41 HB1 ASP 41 -7.746 8.346 -9.923 876 H LYS 42 HN LYS 42 -9.482 10.559 -7.835 877 HA LYS 42 HA LYS 42 -8.163 10.125 -5.354 878 HB2 LYS 42 HB2 LYS 42 -11.057 9.934 -6.171 879 HB3 LYS 42 HB1 LYS 42 -10.523 9.601 -4.530 880 HG2 LYS 42 HG2 LYS 42 -9.550 11.894 -4.461 881 HG3 LYS 42 HG1 LYS 42 -10.301 12.198 -6.029 882 HD2 LYS 42 HD2 LYS 42 -12.493 11.818 -5.108 883 HD3 LYS 42 HD1 LYS 42 -11.799 11.335 -3.559 884 HE2 LYS 42 HE2 LYS 42 -10.876 13.598 -3.292 885 HE3 LYS 42 HE1 LYS 42 -11.618 14.068 -4.822 886 HZ1 LYS 42 HZ1 LYS 42 -13.784 13.651 -3.895 887 HZ2 LYS 42 HZ2 LYS 42 -12.944 14.722 -2.881 888 HZ3 LYS 42 HZ3 LYS 42 -13.106 13.094 -2.443 889 H ALA 43 HN ALA 43 -9.172 8.072 -7.866 890 HA ALA 43 HA ALA 43 -9.416 5.635 -6.454 891 HB1 ALA 43 HB1 ALA 43 -8.561 6.114 -9.308 892 HB2 ALA 43 HB2 ALA 43 -10.223 5.927 -8.745 893 HB3 ALA 43 HB3 ALA 43 -9.094 4.576 -8.631 894 H ARG 44 HN ARG 44 -6.700 7.468 -7.671 895 HA ARG 44 HA ARG 44 -4.779 5.382 -7.394 896 HB2 ARG 44 HB2 ARG 44 -4.400 8.376 -7.563 897 HB3 ARG 44 HB1 ARG 44 -3.104 7.192 -7.656 898 HG2 ARG 44 HG2 ARG 44 -4.191 6.232 -9.665 899 HG3 ARG 44 HG1 ARG 44 -5.380 7.534 -9.595 900 HD2 ARG 44 HD2 ARG 44 -3.536 9.172 -9.791 901 HD3 ARG 44 HD1 ARG 44 -2.404 7.832 -9.970 902 HE ARG 44 HE ARG 44 -4.508 8.588 -11.898 903 HH11 ARG 44 HH11 ARG 44 -1.593 6.799 -11.112 904 HH12 ARG 44 HH12 ARG 44 -1.244 6.375 -12.757 905 HH21 ARG 44 HH21 ARG 44 -4.054 8.030 -14.064 906 HH22 ARG 44 HH22 ARG 44 -2.651 7.080 -14.442 907 H ILE 45 HN ILE 45 -6.255 7.616 -5.226 908 HA ILE 45 HA ILE 45 -4.384 7.604 -3.126 909 HB ILE 45 HB ILE 45 -7.408 7.696 -2.984 910 HG12 ILE 45 HG12 ILE 45 -5.347 9.911 -2.887 911 HG13 ILE 45 HG11 ILE 45 -6.407 9.555 -4.246 912 HG21 ILE 45 HG21 ILE 45 -7.107 8.636 -0.736 913 HG22 ILE 45 HG22 ILE 45 -5.372 8.343 -0.856 914 HG23 ILE 45 HG23 ILE 45 -6.496 6.984 -0.852 915 HD11 ILE 45 HD11 ILE 45 -8.348 10.119 -2.896 916 HD12 ILE 45 HD12 ILE 45 -7.201 11.458 -2.948 917 HD13 ILE 45 HD13 ILE 45 -7.304 10.439 -1.512 918 H ALA 46 HN ALA 46 -6.984 5.383 -4.005 919 HA ALA 46 HA ALA 46 -6.644 3.586 -1.854 920 HB1 ALA 46 HB1 ALA 46 -7.950 2.024 -3.196 921 HB2 ALA 46 HB2 ALA 46 -7.735 3.048 -4.617 922 HB3 ALA 46 HB3 ALA 46 -8.668 3.634 -3.239 923 H GLU 47 HN GLU 47 -5.218 3.806 -5.077 924 HA GLU 47 HA GLU 47 -3.842 1.353 -5.057 925 HB2 GLU 47 HB2 GLU 47 -3.050 3.918 -6.443 926 HB3 GLU 47 HB1 GLU 47 -2.446 2.310 -6.822 927 HG2 GLU 47 HG2 GLU 47 -4.827 1.663 -7.316 928 HG3 GLU 47 HG1 GLU 47 -5.221 3.378 -7.208 929 H ALA 48 HN ALA 48 -2.985 4.544 -3.849 930 HA ALA 48 HA ALA 48 -0.335 4.022 -3.125 931 HB1 ALA 48 HB1 ALA 48 -0.571 5.882 -1.563 932 HB2 ALA 48 HB2 ALA 48 -2.323 5.824 -1.744 933 HB3 ALA 48 HB3 ALA 48 -1.308 6.266 -3.117 934 H GLU 49 HN GLU 49 -3.352 3.603 -1.287 935 HA GLU 49 HA GLU 49 -2.166 2.535 1.033 936 HB2 GLU 49 HB2 GLU 49 -4.934 2.094 -0.097 937 HB3 GLU 49 HB1 GLU 49 -4.428 1.624 1.519 938 HG2 GLU 49 HG2 GLU 49 -3.968 3.982 2.038 939 HG3 GLU 49 HG1 GLU 49 -4.543 4.429 0.432 940 H LYS 50 HN LYS 50 -3.209 1.054 -1.984 941 HA LYS 50 HA LYS 50 -2.987 -1.645 -1.242 942 HB2 LYS 50 HB2 LYS 50 -2.460 -0.389 -3.947 943 HB3 LYS 50 HB1 LYS 50 -2.715 -2.103 -3.656 944 HG2 LYS 50 HG2 LYS 50 -4.984 -1.682 -2.939 945 HG3 LYS 50 HG1 LYS 50 -4.739 0.057 -3.098 946 HD2 LYS 50 HD2 LYS 50 -4.253 -0.339 -5.535 947 HD3 LYS 50 HD1 LYS 50 -4.774 -2.008 -5.295 948 HE2 LYS 50 HE2 LYS 50 -6.962 -1.195 -4.522 949 HE3 LYS 50 HE1 LYS 50 -6.437 0.462 -4.806 950 HZ1 LYS 50 HZ1 LYS 50 -7.730 -0.225 -6.656 951 HZ2 LYS 50 HZ2 LYS 50 -6.856 -1.664 -6.837 952 HZ3 LYS 50 HZ3 LYS 50 -6.119 -0.181 -7.185 953 H ALA 51 HN ALA 51 -0.581 0.687 -2.317 954 HA ALA 51 HA ALA 51 1.539 -1.274 -2.421 955 HB1 ALA 51 HB1 ALA 51 2.983 0.613 -2.956 956 HB2 ALA 51 HB2 ALA 51 1.675 1.735 -2.582 957 HB3 ALA 51 HB3 ALA 51 1.529 0.636 -3.953 958 H GLY 52 HN GLY 52 0.169 0.861 -0.085 959 HA2 GLY 52 HA2 GLY 52 0.583 0.381 2.252 960 HA3 GLY 52 HA1 GLY 52 2.250 0.019 1.829 961 H VAL 53 HN VAL 53 1.073 2.708 0.184 962 HA VAL 53 HA VAL 53 2.867 4.490 1.496 963 HB VAL 53 HB VAL 53 0.626 5.160 -0.423 964 HG11 VAL 53 HG11 VAL 53 1.944 7.162 -0.915 965 HG12 VAL 53 HG12 VAL 53 3.113 6.693 0.318 966 HG13 VAL 53 HG13 VAL 53 1.462 7.102 0.780 967 HG21 VAL 53 HG21 VAL 53 2.119 3.519 -1.406 968 HG22 VAL 53 HG22 VAL 53 3.517 4.508 -0.983 969 HG23 VAL 53 HG23 VAL 53 2.350 5.091 -2.170 970 H LYS 54 HN LYS 54 2.526 5.608 3.299 971 HA LYS 54 HA LYS 54 -0.211 5.666 4.355 972 HB2 LYS 54 HB2 LYS 54 2.425 5.865 5.820 973 HB3 LYS 54 HB1 LYS 54 0.833 5.835 6.570 974 HG2 LYS 54 HG2 LYS 54 0.444 3.599 5.744 975 HG3 LYS 54 HG1 LYS 54 1.978 3.624 4.878 976 HD2 LYS 54 HD2 LYS 54 3.154 3.851 7.037 977 HD3 LYS 54 HD1 LYS 54 1.599 3.732 7.868 978 HE2 LYS 54 HE2 LYS 54 2.693 1.575 7.869 979 HE3 LYS 54 HE1 LYS 54 1.254 1.514 6.853 980 HZ1 LYS 54 HZ1 LYS 54 4.078 1.698 5.956 981 HZ2 LYS 54 HZ2 LYS 54 2.756 1.880 4.916 982 HZ3 LYS 54 HZ3 LYS 54 3.005 0.408 5.713 983 H SER 55 HN SER 55 2.303 7.683 3.206 984 HA SER 55 HA SER 55 0.596 9.978 3.787 985 HB2 SER 55 HB2 SER 55 3.564 9.929 4.393 986 HB3 SER 55 HB1 SER 55 2.501 11.329 4.551 987 HG SER 55 HG SER 55 1.440 9.259 5.873 988 H VAL 56 HN VAL 56 0.727 11.640 2.279 989 HA VAL 56 HA VAL 56 1.874 10.977 -0.263 990 HB VAL 56 HB VAL 56 1.099 13.282 -0.939 991 HG11 VAL 56 HG11 VAL 56 -0.932 11.416 0.269 992 HG12 VAL 56 HG12 VAL 56 -0.224 11.294 -1.341 993 HG13 VAL 56 HG13 VAL 56 -1.264 12.660 -0.937 994 HG21 VAL 56 HG21 VAL 56 1.156 14.352 1.246 995 HG22 VAL 56 HG22 VAL 56 -0.108 13.267 1.823 996 HG23 VAL 56 HG23 VAL 56 -0.462 14.434 0.548 997 HA PRO 57 HA PRO 57 4.998 13.056 -2.010 998 HB2 PRO 57 HB2 PRO 57 5.690 14.539 0.514 999 HB3 PRO 57 HB1 PRO 57 6.278 14.820 -1.135 1000 HG2 PRO 57 HG2 PRO 57 3.988 16.009 -0.010 1001 HG3 PRO 57 HG1 PRO 57 4.370 15.937 -1.740 1002 HD2 PRO 57 HD2 PRO 57 2.162 14.697 -0.525 1003 HD3 PRO 57 HD1 PRO 57 2.842 14.237 -2.107 1004 H ALA 58 HN ALA 58 5.163 10.844 -1.904 1005 HA ALA 58 HA ALA 58 7.410 9.933 -0.275 1006 HB1 ALA 58 HB1 ALA 58 4.810 8.413 -0.476 1007 HB2 ALA 58 HB2 ALA 58 5.425 9.221 0.966 1008 HB3 ALA 58 HB3 ALA 58 6.288 7.838 0.295 1009 H LEU 59 HN LEU 59 8.526 8.124 -1.230 1010 HA LEU 59 HA LEU 59 7.762 7.582 -4.027 1011 HB2 LEU 59 HB2 LEU 59 9.728 9.165 -3.705 1012 HB3 LEU 59 HB1 LEU 59 10.600 7.808 -3.024 1013 HG LEU 59 HG LEU 59 9.442 7.651 -5.794 1014 HD11 LEU 59 HD11 LEU 59 10.789 9.675 -5.739 1015 HD12 LEU 59 HD12 LEU 59 11.606 8.409 -6.657 1016 HD13 LEU 59 HD13 LEU 59 12.126 8.783 -5.013 1017 HD21 LEU 59 HD21 LEU 59 11.794 6.322 -4.448 1018 HD22 LEU 59 HD22 LEU 59 11.281 6.065 -6.115 1019 HD23 LEU 59 HD23 LEU 59 10.231 5.577 -4.786 1020 H VAL 60 HN VAL 60 7.567 5.486 -4.508 1021 HA VAL 60 HA VAL 60 8.509 3.531 -2.513 1022 HB VAL 60 HB VAL 60 6.271 3.247 -4.527 1023 HG11 VAL 60 HG11 VAL 60 7.121 1.447 -2.263 1024 HG12 VAL 60 HG12 VAL 60 7.293 1.113 -3.986 1025 HG13 VAL 60 HG13 VAL 60 5.687 1.227 -3.267 1026 HG21 VAL 60 HG21 VAL 60 5.719 4.878 -2.805 1027 HG22 VAL 60 HG22 VAL 60 6.149 3.715 -1.550 1028 HG23 VAL 60 HG23 VAL 60 4.768 3.407 -2.603 1029 H ILE 61 HN ILE 61 10.237 2.397 -3.119 1030 HA ILE 61 HA ILE 61 10.838 2.071 -5.970 1031 HB ILE 61 HB ILE 61 12.555 1.383 -3.574 1032 HG12 ILE 61 HG12 ILE 61 12.701 3.773 -5.428 1033 HG13 ILE 61 HG11 ILE 61 12.112 3.811 -3.770 1034 HG21 ILE 61 HG21 ILE 61 14.380 1.243 -5.203 1035 HG22 ILE 61 HG22 ILE 61 13.236 1.547 -6.509 1036 HG23 ILE 61 HG23 ILE 61 13.108 0.072 -5.551 1037 HD11 ILE 61 HD11 ILE 61 14.382 4.641 -3.907 1038 HD12 ILE 61 HD12 ILE 61 14.909 3.126 -4.640 1039 HD13 ILE 61 HD13 ILE 61 14.326 3.145 -2.976 1040 H ASP 62 HN ASP 62 9.873 0.350 -6.847 1041 HA ASP 62 HA ASP 62 9.333 -1.790 -7.338 1042 HB2 ASP 62 HB2 ASP 62 11.449 -2.267 -5.285 1043 HB3 ASP 62 HB1 ASP 62 10.466 -3.621 -5.831 1044 H GLY 63 HN GLY 63 9.049 -0.831 -4.012 1045 HA2 GLY 63 HA2 GLY 63 6.456 -1.588 -3.571 1046 HA3 GLY 63 HA1 GLY 63 7.396 -3.026 -3.199 1047 H ALA 64 HN ALA 64 9.649 -1.117 -2.356 1048 HA ALA 64 HA ALA 64 8.796 -0.831 0.398 1049 HB1 ALA 64 HB1 ALA 64 11.039 -1.666 -0.099 1050 HB2 ALA 64 HB2 ALA 64 11.111 -0.162 0.821 1051 HB3 ALA 64 HB3 ALA 64 11.429 -0.151 -0.914 1052 H ALA 65 HN ALA 65 7.926 0.962 1.212 1053 HA ALA 65 HA ALA 65 7.754 3.318 -0.479 1054 HB1 ALA 65 HB1 ALA 65 6.423 2.744 2.164 1055 HB2 ALA 65 HB2 ALA 65 5.731 2.419 0.575 1056 HB3 ALA 65 HB3 ALA 65 6.052 4.080 1.074 1057 H PHE 66 HN PHE 66 9.086 4.968 -0.296 1058 HA PHE 66 HA PHE 66 10.237 5.570 2.349 1059 HB2 PHE 66 HB2 PHE 66 11.462 6.055 -0.378 1060 HB3 PHE 66 HB1 PHE 66 12.167 6.558 1.154 1061 HD1 PHE 66 HD2 PHE 66 12.767 4.748 2.836 1062 HD2 PHE 66 HD1 PHE 66 11.888 3.935 -1.248 1063 HE1 PHE 66 HE2 PHE 66 13.911 2.581 3.026 1064 HE2 PHE 66 HE1 PHE 66 13.034 1.766 -1.065 1065 HZ PHE 66 HZ PHE 66 14.046 1.087 1.075 1066 H HIS 67 HN HIS 67 8.960 7.162 3.098 1067 HA HIS 67 HA HIS 67 7.720 9.132 1.472 1068 HB2 HIS 67 HB2 HIS 67 8.307 9.172 4.449 1069 HB3 HIS 67 HB1 HIS 67 7.220 10.275 3.615 1070 HD1 HIS 67 HD1 HIS 67 7.368 6.886 5.121 1071 HD2 HIS 67 HD2 HIS 67 4.807 9.080 2.688 1072 HE1 HIS 67 HE1 HIS 67 5.154 5.659 5.125 1073 H ILE 68 HN ILE 68 8.553 10.965 0.629 1074 HA ILE 68 HA ILE 68 11.333 11.599 1.364 1075 HB ILE 68 HB ILE 68 9.877 12.234 -1.211 1076 HG12 ILE 68 HG12 ILE 68 10.342 9.839 -0.997 1077 HG13 ILE 68 HG11 ILE 68 11.366 10.560 -2.233 1078 HG21 ILE 68 HG21 ILE 68 11.556 13.908 -0.678 1079 HG22 ILE 68 HG22 ILE 68 12.076 12.924 -2.047 1080 HG23 ILE 68 HG23 ILE 68 12.765 12.644 -0.448 1081 HD11 ILE 68 HD11 ILE 68 12.596 8.967 -0.873 1082 HD12 ILE 68 HD12 ILE 68 12.208 9.890 0.579 1083 HD13 ILE 68 HD13 ILE 68 13.235 10.599 -0.668 1084 H ASN 69 HN ASN 69 11.239 13.124 2.872 1085 HA ASN 69 HA ASN 69 10.652 14.956 4.061 1086 HB2 ASN 69 HB2 ASN 69 10.165 15.961 1.269 1087 HB3 ASN 69 HB1 ASN 69 9.744 16.958 2.659 1088 HD21 ASN 69 HD21 ASN 69 11.744 17.430 0.611 1089 HD22 ASN 69 HD22 ASN 69 13.257 17.582 1.439 1090 H PHE 70 HN PHE 70 9.083 14.268 5.335 1091 HA PHE 70 HA PHE 70 6.715 13.108 4.754 1092 HB2 PHE 70 HB2 PHE 70 7.599 13.221 7.024 1093 HB3 PHE 70 HB1 PHE 70 7.268 14.948 7.092 1094 HD1 PHE 70 HD1 PHE 70 5.617 11.641 6.744 1095 HD2 PHE 70 HD2 PHE 70 5.209 15.730 7.850 1096 HE1 PHE 70 HE1 PHE 70 3.375 11.172 7.641 1097 HE2 PHE 70 HE2 PHE 70 2.966 15.268 8.748 1098 HZ PHE 70 HZ PHE 70 2.047 12.985 8.645 1099 H GLY 71 HN GLY 71 5.317 13.792 3.299 1100 HA2 GLY 71 HA2 GLY 71 4.597 16.562 3.036 1101 HA3 GLY 71 HA1 GLY 71 3.926 15.212 2.128 1102 H ALA 72 HN ALA 72 2.144 14.082 2.936 1103 HA ALA 72 HA ALA 72 0.928 15.230 5.357 1104 HB1 ALA 72 HB1 ALA 72 -0.555 15.157 2.734 1105 HB2 ALA 72 HB2 ALA 72 0.071 16.605 3.522 1106 HB3 ALA 72 HB3 ALA 72 -1.208 15.666 4.291 1107 H GLY 73 HN GLY 73 -0.769 13.950 6.289 1108 HA2 GLY 73 HA2 GLY 73 -0.427 11.139 5.905 1109 HA3 GLY 73 HA1 GLY 73 -1.641 11.908 6.921 1110 H ILE 74 HN ILE 74 -1.374 9.860 4.435 1111 HA ILE 74 HA ILE 74 -3.118 10.984 2.493 1112 HB ILE 74 HB ILE 74 -1.499 9.165 1.985 1113 HG12 ILE 74 HG12 ILE 74 -4.389 8.525 1.352 1114 HG13 ILE 74 HG11 ILE 74 -3.370 9.659 0.470 1115 HG21 ILE 74 HG21 ILE 74 -2.109 6.843 2.503 1116 HG22 ILE 74 HG22 ILE 74 -3.462 7.426 3.472 1117 HG23 ILE 74 HG23 ILE 74 -1.807 7.789 3.961 1118 HD11 ILE 74 HD11 ILE 74 -2.915 6.696 0.702 1119 HD12 ILE 74 HD12 ILE 74 -1.905 7.831 -0.193 1120 HD13 ILE 74 HD13 ILE 74 -3.570 7.544 -0.700 1121 H ASP 75 HN ASP 75 -3.620 9.238 5.434 1122 HA ASP 75 HA ASP 75 -6.276 8.360 4.839 1123 HB2 ASP 75 HB2 ASP 75 -4.734 7.280 6.516 1124 HB3 ASP 75 HB1 ASP 75 -5.013 8.665 7.567 1125 H ASP 76 HN ASP 76 -4.840 11.250 6.072 1126 HA ASP 76 HA ASP 76 -7.119 12.350 7.350 1127 HB2 ASP 76 HB2 ASP 76 -4.751 13.746 6.081 1128 HB3 ASP 76 HB1 ASP 76 -5.940 14.521 7.122 1129 H LEU 77 HN LEU 77 -6.157 12.014 4.067 1130 HA LEU 77 HA LEU 77 -7.730 14.136 2.980 1131 HB2 LEU 77 HB2 LEU 77 -6.607 11.678 1.632 1132 HB3 LEU 77 HB1 LEU 77 -7.250 13.089 0.813 1133 HG LEU 77 HG LEU 77 -4.794 13.050 2.570 1134 HD11 LEU 77 HD11 LEU 77 -5.074 13.273 -0.424 1135 HD12 LEU 77 HD12 LEU 77 -4.443 11.885 0.463 1136 HD13 LEU 77 HD13 LEU 77 -3.571 13.418 0.486 1137 HD21 LEU 77 HD21 LEU 77 -5.973 15.268 0.898 1138 HD22 LEU 77 HD22 LEU 77 -4.448 15.334 1.782 1139 HD23 LEU 77 HD23 LEU 77 -5.970 15.189 2.660 1140 H LYS 78 HN LYS 78 -8.606 11.289 4.407 1141 HA LYS 78 HA LYS 78 -10.894 10.739 2.707 1142 HB2 LYS 78 HB2 LYS 78 -10.106 9.575 5.387 1143 HB3 LYS 78 HB1 LYS 78 -11.411 8.990 4.364 1144 HG2 LYS 78 HG2 LYS 78 -9.853 8.310 2.669 1145 HG3 LYS 78 HG1 LYS 78 -8.512 9.043 3.553 1146 HD2 LYS 78 HD2 LYS 78 -8.917 7.479 5.414 1147 HD3 LYS 78 HD1 LYS 78 -10.208 6.724 4.476 1148 HE2 LYS 78 HE2 LYS 78 -8.622 6.056 2.773 1149 HE3 LYS 78 HE1 LYS 78 -7.322 6.894 3.619 1150 HZ1 LYS 78 HZ1 LYS 78 -8.860 4.592 4.697 1151 HZ2 LYS 78 HZ2 LYS 78 -7.569 5.380 5.469 1152 HZ3 LYS 78 HZ3 LYS 78 -7.296 4.503 4.036 1153 H GLY 79 HN GLY 79 -10.094 12.790 5.281 1154 HA2 GLY 79 HA2 GLY 79 -12.916 13.042 6.099 1155 HA3 GLY 79 HA1 GLY 79 -11.539 13.500 7.090 1156 H SER 80 HN SER 80 -13.609 14.410 4.456 1157 HA SER 80 HA SER 80 -12.902 17.188 4.913 1158 HB2 SER 80 HB2 SER 80 -12.736 15.913 2.168 1159 HB3 SER 80 HB1 SER 80 -12.661 17.646 2.479 1160 HG SER 80 HG SER 80 -10.900 16.296 4.032 Start of MODEL 15 1 H1 VAL 1 HT1 VAL 1 33.732 13.855 -12.005 2 H2 VAL 1 HT2 VAL 1 33.844 13.285 -10.413 3 H3 VAL 1 HT3 VAL 1 35.094 14.226 -11.064 4 HA VAL 1 HA VAL 1 33.652 15.435 -9.512 5 HB VAL 1 HB VAL 1 33.234 17.402 -11.009 6 HG11 VAL 1 HG11 VAL 1 35.605 17.777 -11.526 7 HG12 VAL 1 HG12 VAL 1 35.927 16.066 -11.246 8 HG13 VAL 1 HG13 VAL 1 35.380 17.090 -9.918 9 HG21 VAL 1 HG21 VAL 1 34.041 17.282 -13.328 10 HG22 VAL 1 HG22 VAL 1 32.651 16.231 -13.056 11 HG23 VAL 1 HG23 VAL 1 34.272 15.543 -13.148 12 H ALA 2 HN ALA 2 31.709 15.416 -8.673 13 HA ALA 2 HA ALA 2 29.359 15.715 -10.314 14 HB1 ALA 2 HB1 ALA 2 28.224 13.698 -9.540 15 HB2 ALA 2 HB2 ALA 2 29.674 13.202 -8.668 16 HB3 ALA 2 HB3 ALA 2 29.690 13.282 -10.429 17 H SER 3 HN SER 3 27.477 16.232 -9.055 18 HA SER 3 HA SER 3 28.024 17.578 -6.607 19 HB2 SER 3 HB2 SER 3 25.335 16.791 -7.761 20 HB3 SER 3 HB1 SER 3 25.640 18.051 -6.563 21 HG SER 3 HG SER 3 27.024 19.024 -8.247 22 H LYS 4 HN LYS 4 27.740 16.901 -4.515 23 HA LYS 4 HA LYS 4 27.348 14.018 -4.269 24 HB2 LYS 4 HB2 LYS 4 28.540 14.089 -2.229 25 HB3 LYS 4 HB1 LYS 4 29.427 15.090 -3.366 26 HG2 LYS 4 HG2 LYS 4 28.646 17.091 -2.320 27 HG3 LYS 4 HG1 LYS 4 27.521 16.182 -1.304 28 HD2 LYS 4 HD2 LYS 4 29.465 15.013 -0.292 29 HD3 LYS 4 HD1 LYS 4 30.536 16.054 -1.230 30 HE2 LYS 4 HE2 LYS 4 29.656 18.012 -0.099 31 HE3 LYS 4 HE1 LYS 4 28.508 17.010 0.788 32 HZ1 LYS 4 HZ1 LYS 4 30.401 15.850 1.801 33 HZ2 LYS 4 HZ2 LYS 4 30.404 17.508 2.170 34 HZ3 LYS 4 HZ3 LYS 4 31.467 16.895 1.001 35 H ALA 5 HN ALA 5 25.997 13.067 -2.860 36 HA ALA 5 HA ALA 5 23.991 14.774 -1.541 37 HB1 ALA 5 HB1 ALA 5 22.468 12.856 -1.675 38 HB2 ALA 5 HB2 ALA 5 23.718 11.920 -2.497 39 HB3 ALA 5 HB3 ALA 5 23.025 13.342 -3.277 40 H ILE 6 HN ILE 6 24.122 14.791 0.614 41 HA ILE 6 HA ILE 6 25.934 12.874 1.880 42 HB ILE 6 HB ILE 6 24.687 15.270 3.214 43 HG12 ILE 6 HG12 ILE 6 27.330 15.196 1.739 44 HG13 ILE 6 HG11 ILE 6 25.872 15.977 1.136 45 HG21 ILE 6 HG21 ILE 6 26.665 15.104 4.656 46 HG22 ILE 6 HG22 ILE 6 27.208 13.699 3.739 47 HG23 ILE 6 HG23 ILE 6 25.714 13.619 4.673 48 HD11 ILE 6 HD11 ILE 6 25.900 17.492 3.052 49 HD12 ILE 6 HD12 ILE 6 27.387 17.596 2.110 50 HD13 ILE 6 HD13 ILE 6 27.370 16.717 3.639 51 H PHE 7 HN PHE 7 25.077 11.140 2.746 52 HA PHE 7 HA PHE 7 22.275 11.184 3.587 53 HB2 PHE 7 HB2 PHE 7 23.131 9.422 2.005 54 HB3 PHE 7 HB1 PHE 7 24.124 8.806 3.320 55 HD1 PHE 7 HD2 PHE 7 20.568 9.691 2.623 56 HD2 PHE 7 HD1 PHE 7 23.294 7.062 4.563 57 HE1 PHE 7 HE2 PHE 7 18.685 8.297 3.370 58 HE2 PHE 7 HE1 PHE 7 21.414 5.662 5.311 59 HZ PHE 7 HZ PHE 7 19.108 6.279 4.716 60 H TYR 8 HN TYR 8 22.200 12.033 5.594 61 HA TYR 8 HA TYR 8 24.097 11.168 7.629 62 HB2 TYR 8 HB2 TYR 8 21.863 13.197 7.622 63 HB3 TYR 8 HB1 TYR 8 22.707 12.738 9.095 64 HD1 TYR 8 HD2 TYR 8 25.280 13.051 9.099 65 HD2 TYR 8 HD1 TYR 8 22.685 14.929 6.298 66 HE1 TYR 8 HE2 TYR 8 27.000 14.753 8.657 67 HE2 TYR 8 HE1 TYR 8 24.396 16.640 5.851 68 HH TYR 8 HH TYR 8 26.350 17.627 6.961 69 H HIS 9 HN HIS 9 23.716 9.486 8.923 70 HA HIS 9 HA HIS 9 21.033 9.072 9.926 71 HB2 HIS 9 HB2 HIS 9 20.858 6.743 9.348 72 HB3 HIS 9 HB1 HIS 9 21.102 7.676 7.882 73 HD2 HIS 9 HD2 HIS 9 23.509 7.216 6.550 74 HE1 HIS 9 HE1 HIS 9 24.486 3.821 8.873 75 HE2 HIS 9 HE2 HIS 9 24.783 4.955 6.627 76 H ALA 10 HN ALA 10 21.229 6.868 11.397 77 HA ALA 10 HA ALA 10 23.551 7.422 13.125 78 HB1 ALA 10 HB1 ALA 10 21.537 8.484 14.012 79 HB2 ALA 10 HB2 ALA 10 22.109 7.198 15.073 80 HB3 ALA 10 HB3 ALA 10 20.718 6.922 14.026 81 H GLY 11 HN GLY 11 22.774 5.195 11.151 82 HA2 GLY 11 HA2 GLY 11 23.255 2.956 11.007 83 HA3 GLY 11 HA1 GLY 11 24.008 3.093 12.588 84 H CYS 12 HN CYS 12 20.689 3.353 11.352 85 HA CYS 12 HA CYS 12 19.875 1.335 13.334 86 HB2 CYS 12 HB2 CYS 12 18.264 3.739 12.438 87 HB3 CYS 12 HB1 CYS 12 17.777 2.547 13.638 88 HG CYS 12 HG CYS 12 20.616 3.654 14.682 89 HA PRO 13 HA PRO 13 18.229 -1.282 10.220 90 HB2 PRO 13 HB2 PRO 13 15.595 -0.905 11.598 91 HB3 PRO 13 HB1 PRO 13 16.368 -2.395 11.040 92 HG2 PRO 13 HG2 PRO 13 16.442 -1.729 13.609 93 HG3 PRO 13 HG1 PRO 13 17.862 -2.440 12.819 94 HD2 PRO 13 HD2 PRO 13 17.374 0.364 13.672 95 HD3 PRO 13 HD1 PRO 13 18.899 -0.537 13.565 96 H VAL 14 HN VAL 14 16.007 1.411 11.007 97 HA VAL 14 HA VAL 14 14.630 1.391 8.558 98 HB VAL 14 HB VAL 14 15.070 3.678 10.484 99 HG11 VAL 14 HG11 VAL 14 14.473 4.541 8.282 100 HG12 VAL 14 HG12 VAL 14 13.134 4.737 9.414 101 HG13 VAL 14 HG13 VAL 14 13.094 3.444 8.214 102 HG21 VAL 14 HG21 VAL 14 12.756 1.775 10.124 103 HG22 VAL 14 HG22 VAL 14 12.805 3.133 11.247 104 HG23 VAL 14 HG23 VAL 14 13.907 1.775 11.460 105 H CYS 15 HN CYS 15 17.453 3.339 9.579 106 HA CYS 15 HA CYS 15 17.503 4.730 7.073 107 HB2 CYS 15 HB2 CYS 15 19.551 5.785 7.898 108 HB3 CYS 15 HB1 CYS 15 18.272 5.846 9.102 109 HG CYS 15 HG CYS 15 21.309 4.591 9.326 110 H VAL 16 HN VAL 16 19.128 1.935 8.421 111 HA VAL 16 HA VAL 16 21.106 1.602 6.449 112 HB VAL 16 HB VAL 16 19.625 -0.468 8.086 113 HG11 VAL 16 HG11 VAL 16 20.516 -1.516 6.072 114 HG12 VAL 16 HG12 VAL 16 21.416 -2.026 7.500 115 HG13 VAL 16 HG13 VAL 16 22.104 -0.825 6.405 116 HG21 VAL 16 HG21 VAL 16 20.947 1.080 9.406 117 HG22 VAL 16 HG22 VAL 16 22.356 0.774 8.391 118 HG23 VAL 16 HG23 VAL 16 21.701 -0.515 9.401 119 H SER 17 HN SER 17 17.708 0.703 6.548 120 HA SER 17 HA SER 17 17.663 -0.779 4.138 121 HB2 SER 17 HB2 SER 17 15.398 0.758 5.436 122 HB3 SER 17 HB1 SER 17 15.241 -0.556 4.270 123 HG SER 17 HG SER 17 16.326 -0.724 6.897 124 H ALA 18 HN ALA 18 17.128 2.632 4.897 125 HA ALA 18 HA ALA 18 16.410 3.422 2.265 126 HB1 ALA 18 HB1 ALA 18 15.862 4.772 4.230 127 HB2 ALA 18 HB2 ALA 18 16.793 5.703 3.055 128 HB3 ALA 18 HB3 ALA 18 17.578 5.075 4.503 129 H GLU 19 HN GLU 19 19.443 3.179 4.008 130 HA GLU 19 HA GLU 19 21.138 4.422 2.149 131 HB2 GLU 19 HB2 GLU 19 21.738 3.845 4.484 132 HB3 GLU 19 HB1 GLU 19 21.747 2.144 4.045 133 HG2 GLU 19 HG2 GLU 19 23.574 2.616 2.446 134 HG3 GLU 19 HG1 GLU 19 23.600 4.282 3.025 135 H GLN 20 HN GLN 20 19.796 1.197 2.317 136 HA GLN 20 HA GLN 20 21.479 0.173 0.203 137 HB2 GLN 20 HB2 GLN 20 20.735 -1.271 2.058 138 HB3 GLN 20 HB1 GLN 20 19.067 -1.052 1.552 139 HG2 GLN 20 HG2 GLN 20 19.603 -2.130 -0.594 140 HG3 GLN 20 HG1 GLN 20 21.248 -2.404 -0.022 141 HE21 GLN 20 HE21 GLN 20 19.226 -4.329 -0.830 142 HE22 GLN 20 HE22 GLN 20 18.978 -5.374 0.530 143 H ALA 21 HN ALA 21 18.153 1.293 0.574 144 HA ALA 21 HA ALA 21 17.516 0.507 -2.150 145 HB1 ALA 21 HB1 ALA 21 15.882 0.111 -0.374 146 HB2 ALA 21 HB2 ALA 21 15.246 1.175 -1.628 147 HB3 ALA 21 HB3 ALA 21 15.780 1.849 -0.087 148 H VAL 22 HN VAL 22 16.981 3.547 -0.344 149 HA VAL 22 HA VAL 22 16.537 5.007 -2.739 150 HB VAL 22 HB VAL 22 17.134 6.131 -0.001 151 HG11 VAL 22 HG11 VAL 22 15.835 8.059 -0.783 152 HG12 VAL 22 HG12 VAL 22 15.674 7.303 -2.367 153 HG13 VAL 22 HG13 VAL 22 17.265 7.785 -1.777 154 HG21 VAL 22 HG21 VAL 22 15.301 4.534 0.130 155 HG22 VAL 22 HG22 VAL 22 14.481 5.346 -1.204 156 HG23 VAL 22 HG23 VAL 22 14.707 6.182 0.332 157 H ALA 23 HN ALA 23 19.290 4.727 -0.538 158 HA ALA 23 HA ALA 23 20.811 6.749 -1.892 159 HB1 ALA 23 HB1 ALA 23 21.740 4.706 0.118 160 HB2 ALA 23 HB2 ALA 23 21.093 6.300 0.503 161 HB3 ALA 23 HB3 ALA 23 22.610 6.156 -0.385 162 H ASN 24 HN ASN 24 19.964 3.784 -2.914 163 HA ASN 24 HA ASN 24 22.434 3.538 -4.503 164 HB2 ASN 24 HB2 ASN 24 21.853 1.539 -3.077 165 HB3 ASN 24 HB1 ASN 24 20.393 1.353 -4.045 166 HD21 ASN 24 HD21 ASN 24 23.847 1.089 -3.982 167 HD22 ASN 24 HD22 ASN 24 24.017 0.220 -5.473 168 H ALA 25 HN ALA 25 19.001 3.936 -4.484 169 HA ALA 25 HA ALA 25 18.402 3.482 -7.183 170 HB1 ALA 25 HB1 ALA 25 16.688 3.795 -5.456 171 HB2 ALA 25 HB2 ALA 25 16.451 4.899 -6.812 172 HB3 ALA 25 HB3 ALA 25 17.153 5.489 -5.305 173 H ILE 26 HN ILE 26 19.625 6.326 -5.489 174 HA ILE 26 HA ILE 26 20.036 7.775 -7.961 175 HB ILE 26 HB ILE 26 21.111 8.347 -5.186 176 HG12 ILE 26 HG12 ILE 26 18.739 9.537 -6.645 177 HG13 ILE 26 HG11 ILE 26 18.644 8.403 -5.303 178 HG21 ILE 26 HG21 ILE 26 21.013 10.075 -7.658 179 HG22 ILE 26 HG22 ILE 26 22.460 9.391 -6.916 180 HG23 ILE 26 HG23 ILE 26 21.521 10.612 -6.057 181 HD11 ILE 26 HD11 ILE 26 19.702 10.046 -3.843 182 HD12 ILE 26 HD12 ILE 26 18.225 10.677 -4.571 183 HD13 ILE 26 HD13 ILE 26 19.798 11.180 -5.190 184 H ASP 27 HN ASP 27 21.618 7.203 -9.297 185 HA ASP 27 HA ASP 27 23.439 5.155 -8.678 186 HB2 ASP 27 HB2 ASP 27 22.537 5.898 -10.979 187 HB3 ASP 27 HB1 ASP 27 23.846 7.076 -10.957 188 HA PRO 28 HA PRO 28 26.455 7.604 -6.472 189 HB2 PRO 28 HB2 PRO 28 28.061 5.136 -6.681 190 HB3 PRO 28 HB1 PRO 28 27.531 6.017 -5.244 191 HG2 PRO 28 HG2 PRO 28 26.440 3.667 -5.910 192 HG3 PRO 28 HG1 PRO 28 25.469 4.970 -5.197 193 HD2 PRO 28 HD2 PRO 28 25.678 4.106 -8.059 194 HD3 PRO 28 HD1 PRO 28 24.241 4.579 -7.126 195 H SER 29 HN SER 29 26.819 6.138 -9.559 196 HA SER 29 HA SER 29 29.432 7.422 -9.944 197 HB2 SER 29 HB2 SER 29 29.149 5.030 -10.626 198 HB3 SER 29 HB1 SER 29 27.946 5.549 -11.805 199 HG SER 29 HG SER 29 29.952 7.064 -12.321 200 H LYS 30 HN LYS 30 26.341 8.282 -10.068 201 HA LYS 30 HA LYS 30 26.777 10.120 -12.332 202 HB2 LYS 30 HB2 LYS 30 24.869 8.470 -12.551 203 HB3 LYS 30 HB1 LYS 30 24.108 9.278 -11.190 204 HG2 LYS 30 HG2 LYS 30 23.746 11.240 -12.408 205 HG3 LYS 30 HG1 LYS 30 24.900 10.775 -13.663 206 HD2 LYS 30 HD2 LYS 30 23.401 8.901 -14.284 207 HD3 LYS 30 HD1 LYS 30 22.232 9.483 -13.099 208 HE2 LYS 30 HE2 LYS 30 21.875 11.491 -14.307 209 HE3 LYS 30 HE1 LYS 30 23.267 11.192 -15.347 210 HZ1 LYS 30 HZ1 LYS 30 21.177 10.709 -16.475 211 HZ2 LYS 30 HZ2 LYS 30 20.781 9.557 -15.293 212 HZ3 LYS 30 HZ3 LYS 30 22.116 9.307 -16.309 213 H TYR 31 HN TYR 31 25.595 9.689 -9.059 214 HA TYR 31 HA TYR 31 26.354 12.470 -8.501 215 HB2 TYR 31 HB2 TYR 31 23.858 11.029 -7.606 216 HB3 TYR 31 HB1 TYR 31 24.515 12.382 -6.692 217 HD1 TYR 31 HD1 TYR 31 22.911 11.384 -9.852 218 HD2 TYR 31 HD2 TYR 31 24.356 14.629 -7.512 219 HE1 TYR 31 HE1 TYR 31 21.731 12.964 -11.323 220 HE2 TYR 31 HE2 TYR 31 23.181 16.216 -8.975 221 HH TYR 31 HH TYR 31 20.852 15.227 -11.267 222 H THR 32 HN THR 32 27.610 12.700 -6.696 223 HA THR 32 HA THR 32 28.823 10.303 -5.708 224 HB THR 32 HB THR 32 29.242 13.140 -4.744 225 HG1 THR 32 HG1 THR 32 30.306 11.685 -6.933 226 HG21 THR 32 HG21 THR 32 30.144 11.422 -3.246 227 HG22 THR 32 HG22 THR 32 31.441 12.311 -4.044 228 HG23 THR 32 HG23 THR 32 31.010 10.693 -4.598 229 H VAL 33 HN VAL 33 27.615 9.088 -4.358 230 HA VAL 33 HA VAL 33 25.956 10.286 -2.321 231 HB VAL 33 HB VAL 33 26.645 7.369 -2.724 232 HG11 VAL 33 HG11 VAL 33 25.819 7.862 -0.484 233 HG12 VAL 33 HG12 VAL 33 24.629 6.941 -1.403 234 HG13 VAL 33 HG13 VAL 33 24.413 8.676 -1.170 235 HG21 VAL 33 HG21 VAL 33 24.268 8.943 -3.716 236 HG22 VAL 33 HG22 VAL 33 24.478 7.197 -3.858 237 HG23 VAL 33 HG23 VAL 33 25.572 8.289 -4.708 238 H GLU 34 HN GLU 34 26.885 11.113 -0.574 239 HA GLU 34 HA GLU 34 29.215 9.722 0.576 240 HB2 GLU 34 HB2 GLU 34 29.663 12.022 -0.257 241 HB3 GLU 34 HB1 GLU 34 28.446 12.636 0.853 242 HG2 GLU 34 HG2 GLU 34 29.754 12.008 2.746 243 HG3 GLU 34 HG1 GLU 34 30.907 11.144 1.729 244 H ILE 35 HN ILE 35 28.691 8.589 2.308 245 HA ILE 35 HA ILE 35 26.271 9.297 3.798 246 HB ILE 35 HB ILE 35 27.895 6.748 3.887 247 HG12 ILE 35 HG12 ILE 35 25.269 7.282 2.479 248 HG13 ILE 35 HG11 ILE 35 26.830 7.242 1.669 249 HG21 ILE 35 HG21 ILE 35 25.919 5.812 4.992 250 HG22 ILE 35 HG22 ILE 35 25.152 7.400 4.956 251 HG23 ILE 35 HG23 ILE 35 26.610 7.145 5.915 252 HD11 ILE 35 HD11 ILE 35 25.617 5.156 1.389 253 HD12 ILE 35 HD12 ILE 35 25.554 4.949 3.139 254 HD13 ILE 35 HD13 ILE 35 27.105 4.909 2.302 255 H VAL 36 HN VAL 36 26.341 10.005 5.855 256 HA VAL 36 HA VAL 36 28.908 9.846 7.292 257 HB VAL 36 HB VAL 36 27.131 12.296 7.188 258 HG11 VAL 36 HG11 VAL 36 28.908 13.380 8.476 259 HG12 VAL 36 HG12 VAL 36 29.786 11.852 8.551 260 HG13 VAL 36 HG13 VAL 36 28.224 12.011 9.352 261 HG21 VAL 36 HG21 VAL 36 29.009 13.367 6.019 262 HG22 VAL 36 HG22 VAL 36 28.346 12.014 5.101 263 HG23 VAL 36 HG23 VAL 36 29.859 11.822 5.987 264 H HIS 37 HN HIS 37 28.726 9.140 9.328 265 HA HIS 37 HA HIS 37 26.130 8.550 10.427 266 HB2 HIS 37 HB2 HIS 37 28.303 7.157 10.663 267 HB3 HIS 37 HB1 HIS 37 28.739 8.315 11.914 268 HD2 HIS 37 HD2 HIS 37 27.028 5.034 11.614 269 HE1 HIS 37 HE1 HIS 37 25.443 6.822 15.104 270 HE2 HIS 37 HE2 HIS 37 25.777 4.646 13.850 271 H LEU 38 HN LEU 38 24.983 9.891 11.635 272 HA LEU 38 HA LEU 38 26.188 12.433 12.403 273 HB2 LEU 38 HB2 LEU 38 24.015 12.150 11.078 274 HB3 LEU 38 HB1 LEU 38 23.284 11.641 12.582 275 HG LEU 38 HG LEU 38 22.958 14.072 11.833 276 HD11 LEU 38 HD11 LEU 38 23.040 14.917 14.127 277 HD12 LEU 38 HD12 LEU 38 23.990 13.511 14.608 278 HD13 LEU 38 HD13 LEU 38 22.331 13.305 14.048 279 HD21 LEU 38 HD21 LEU 38 25.778 14.254 12.878 280 HD22 LEU 38 HD22 LEU 38 24.727 15.625 12.529 281 HD23 LEU 38 HD23 LEU 38 25.248 14.560 11.224 282 H GLY 39 HN GLY 39 25.176 9.485 13.836 283 HA2 GLY 39 HA2 GLY 39 24.463 10.673 16.389 284 HA3 GLY 39 HA1 GLY 39 24.394 8.969 15.976 285 H THR 40 HN THR 40 27.386 10.004 15.039 286 HA THR 40 HA THR 40 28.548 8.971 17.525 287 HB THR 40 HB THR 40 29.805 9.255 14.787 288 HG1 THR 40 HG1 THR 40 28.391 7.234 16.108 289 HG21 THR 40 HG21 THR 40 31.473 9.388 16.582 290 HG22 THR 40 HG22 THR 40 31.613 7.869 15.696 291 HG23 THR 40 HG23 THR 40 30.841 7.897 17.283 292 H ASP 41 HN ASP 41 28.674 11.758 15.368 293 HA ASP 41 HA ASP 41 30.524 13.037 17.266 294 HB2 ASP 41 HB2 ASP 41 31.767 12.720 15.283 295 HB3 ASP 41 HB1 ASP 41 30.421 13.222 14.263 296 H LYS 42 HN LYS 42 29.985 14.967 18.081 297 HA LYS 42 HA LYS 42 27.315 15.930 17.462 298 HB2 LYS 42 HB2 LYS 42 29.248 16.664 19.660 299 HB3 LYS 42 HB1 LYS 42 27.654 17.382 19.468 300 HG2 LYS 42 HG2 LYS 42 26.674 15.105 19.683 301 HG3 LYS 42 HG1 LYS 42 28.291 14.498 20.048 302 HD2 LYS 42 HD2 LYS 42 28.413 15.957 21.993 303 HD3 LYS 42 HD1 LYS 42 26.823 16.618 21.614 304 HE2 LYS 42 HE2 LYS 42 26.593 14.979 23.358 305 HE3 LYS 42 HE1 LYS 42 25.866 14.352 21.880 306 HZ1 LYS 42 HZ1 LYS 42 27.800 12.997 21.499 307 HZ2 LYS 42 HZ2 LYS 42 27.223 12.702 23.066 308 HZ3 LYS 42 HZ3 LYS 42 28.594 13.669 22.839 309 H ALA 43 HN ALA 43 30.366 16.603 16.341 310 HA ALA 43 HA ALA 43 30.086 19.464 16.103 311 HB1 ALA 43 HB1 ALA 43 32.091 19.339 14.703 312 HB2 ALA 43 HB2 ALA 43 31.993 17.578 14.718 313 HB3 ALA 43 HB3 ALA 43 32.307 18.457 16.214 314 H ARG 44 HN ARG 44 29.530 16.623 14.113 315 HA ARG 44 HA ARG 44 28.786 18.075 11.773 316 HB2 ARG 44 HB2 ARG 44 29.043 15.311 12.529 317 HB3 ARG 44 HB1 ARG 44 27.507 15.561 11.706 318 HG2 ARG 44 HG2 ARG 44 28.600 15.449 9.785 319 HG3 ARG 44 HG1 ARG 44 29.377 16.977 10.200 320 HD2 ARG 44 HD2 ARG 44 30.393 14.183 10.665 321 HD3 ARG 44 HD1 ARG 44 31.112 15.450 9.673 322 HE ARG 44 HE ARG 44 30.954 15.604 12.623 323 HH11 ARG 44 HH11 ARG 44 32.692 16.136 9.616 324 HH12 ARG 44 HH12 ARG 44 34.143 16.658 10.415 325 HH21 ARG 44 HH21 ARG 44 32.818 16.301 13.654 326 HH22 ARG 44 HH22 ARG 44 34.218 16.774 12.724 327 H ILE 45 HN ILE 45 27.202 17.404 14.716 328 HA ILE 45 HA ILE 45 24.514 17.479 13.879 329 HB ILE 45 HB ILE 45 25.770 18.362 16.484 330 HG12 ILE 45 HG12 ILE 45 24.281 15.859 15.662 331 HG13 ILE 45 HG11 ILE 45 26.001 15.981 16.014 332 HG21 ILE 45 HG21 ILE 45 23.519 18.316 17.439 333 HG22 ILE 45 HG22 ILE 45 22.846 17.992 15.842 334 HG23 ILE 45 HG23 ILE 45 23.651 19.528 16.165 335 HD11 ILE 45 HD11 ILE 45 23.762 16.398 17.982 336 HD12 ILE 45 HD12 ILE 45 25.485 16.517 18.337 337 HD13 ILE 45 HD13 ILE 45 24.790 14.970 17.856 338 H ALA 46 HN ALA 46 26.846 20.018 14.635 339 HA ALA 46 HA ALA 46 25.061 22.199 14.350 340 HB1 ALA 46 HB1 ALA 46 27.070 23.575 14.164 341 HB2 ALA 46 HB2 ALA 46 28.052 22.125 13.955 342 HB3 ALA 46 HB3 ALA 46 27.218 22.413 15.482 343 H GLU 47 HN GLU 47 27.060 20.382 12.098 344 HA GLU 47 HA GLU 47 26.592 22.013 9.829 345 HB2 GLU 47 HB2 GLU 47 27.251 19.065 9.989 346 HB3 GLU 47 HB1 GLU 47 27.297 20.029 8.520 347 HG2 GLU 47 HG2 GLU 47 29.019 21.467 9.616 348 HG3 GLU 47 HG1 GLU 47 29.051 20.308 10.945 349 H ALA 48 HN ALA 48 24.903 19.287 11.269 350 HA ALA 48 HA ALA 48 23.006 18.854 9.246 351 HB1 ALA 48 HB1 ALA 48 21.691 17.730 10.961 352 HB2 ALA 48 HB2 ALA 48 22.695 18.449 12.220 353 HB3 ALA 48 HB3 ALA 48 23.394 17.290 11.090 354 H GLU 49 HN GLU 49 22.926 20.967 12.101 355 HA GLU 49 HA GLU 49 20.335 22.004 11.642 356 HB2 GLU 49 HB2 GLU 49 22.664 23.294 13.080 357 HB3 GLU 49 HB1 GLU 49 20.982 23.789 13.201 358 HG2 GLU 49 HG2 GLU 49 20.431 21.598 14.170 359 HG3 GLU 49 HG1 GLU 49 22.137 21.160 14.100 360 H LYS 50 HN LYS 50 23.496 22.852 10.450 361 HA LYS 50 HA LYS 50 22.754 25.400 9.384 362 HB2 LYS 50 HB2 LYS 50 25.061 24.734 10.091 363 HB3 LYS 50 HB1 LYS 50 25.135 23.672 8.694 364 HG2 LYS 50 HG2 LYS 50 25.106 25.500 7.191 365 HG3 LYS 50 HG1 LYS 50 24.680 26.635 8.476 366 HD2 LYS 50 HD2 LYS 50 26.835 26.187 9.567 367 HD3 LYS 50 HD1 LYS 50 27.261 25.089 8.255 368 HE2 LYS 50 HE2 LYS 50 26.600 27.995 7.844 369 HE3 LYS 50 HE1 LYS 50 28.238 27.402 8.108 370 HZ1 LYS 50 HZ1 LYS 50 27.970 27.568 5.802 371 HZ2 LYS 50 HZ2 LYS 50 26.443 26.836 5.819 372 HZ3 LYS 50 HZ3 LYS 50 27.827 25.911 6.136 373 H ALA 51 HN ALA 51 22.785 22.120 8.212 374 HA ALA 51 HA ALA 51 22.373 22.896 5.452 375 HB1 ALA 51 HB1 ALA 51 23.695 20.908 5.974 376 HB2 ALA 51 HB2 ALA 51 22.281 20.502 5.002 377 HB3 ALA 51 HB3 ALA 51 22.286 20.168 6.734 378 H GLY 52 HN GLY 52 20.457 21.850 8.186 379 HA2 GLY 52 HA2 GLY 52 18.130 22.553 8.248 380 HA3 GLY 52 HA1 GLY 52 18.044 22.218 6.525 381 H VAL 53 HN VAL 53 19.655 20.084 8.757 382 HA VAL 53 HA VAL 53 17.862 17.926 8.047 383 HB VAL 53 HB VAL 53 20.270 17.962 9.878 384 HG11 VAL 53 HG11 VAL 53 20.209 15.519 9.714 385 HG12 VAL 53 HG12 VAL 53 18.711 15.622 8.789 386 HG13 VAL 53 HG13 VAL 53 18.748 16.158 10.469 387 HG21 VAL 53 HG21 VAL 53 19.980 16.991 7.038 388 HG22 VAL 53 HG22 VAL 53 21.429 16.851 8.034 389 HG23 VAL 53 HG23 VAL 53 20.837 18.443 7.557 390 H LYS 54 HN LYS 54 16.156 17.320 9.193 391 HA LYS 54 HA LYS 54 15.844 18.368 11.922 392 HB2 LYS 54 HB2 LYS 54 13.787 17.339 9.960 393 HB3 LYS 54 HB1 LYS 54 13.428 17.863 11.598 394 HG2 LYS 54 HG2 LYS 54 14.103 20.113 11.082 395 HG3 LYS 54 HG1 LYS 54 14.636 19.618 9.474 396 HD2 LYS 54 HD2 LYS 54 12.362 19.032 8.870 397 HD3 LYS 54 HD1 LYS 54 11.806 19.426 10.497 398 HE2 LYS 54 HE2 LYS 54 12.403 21.748 10.178 399 HE3 LYS 54 HE1 LYS 54 13.087 21.380 8.593 400 HZ1 LYS 54 HZ1 LYS 54 10.947 20.840 7.757 401 HZ2 LYS 54 HZ2 LYS 54 10.809 22.343 8.539 402 HZ3 LYS 54 HZ3 LYS 54 10.238 20.935 9.298 403 H SER 55 HN SER 55 15.706 15.436 9.963 404 HA SER 55 HA SER 55 16.142 13.863 12.364 405 HB2 SER 55 HB2 SER 55 14.261 12.292 11.735 406 HB3 SER 55 HB1 SER 55 13.746 13.861 12.352 407 HG SER 55 HG SER 55 14.039 13.380 9.582 408 H VAL 56 HN VAL 56 16.845 11.702 11.920 409 HA VAL 56 HA VAL 56 17.895 11.357 9.204 410 HB VAL 56 HB VAL 56 19.269 9.542 10.133 411 HG11 VAL 56 HG11 VAL 56 20.191 11.783 10.130 412 HG12 VAL 56 HG12 VAL 56 20.732 10.911 11.565 413 HG13 VAL 56 HG13 VAL 56 19.449 12.114 11.696 414 HG21 VAL 56 HG21 VAL 56 18.039 10.270 12.791 415 HG22 VAL 56 HG22 VAL 56 19.355 9.122 12.538 416 HG23 VAL 56 HG23 VAL 56 17.749 8.781 11.892 417 HA PRO 57 HA PRO 57 18.711 9.507 8.117 418 HB2 PRO 57 HB2 PRO 57 17.589 8.491 5.705 419 HB3 PRO 57 HB1 PRO 57 18.689 7.672 6.812 420 HG2 PRO 57 HG2 PRO 57 16.035 6.973 6.352 421 HG3 PRO 57 HG1 PRO 57 17.013 6.463 7.738 422 HD2 PRO 57 HD2 PRO 57 14.953 8.603 7.554 423 HD3 PRO 57 HD1 PRO 57 15.368 7.545 8.918 424 H ALA 58 HN ALA 58 19.356 11.292 7.113 425 HA ALA 58 HA ALA 58 17.369 12.801 5.545 426 HB1 ALA 58 HB1 ALA 58 19.682 13.896 7.141 427 HB2 ALA 58 HB2 ALA 58 17.984 13.950 7.614 428 HB3 ALA 58 HB3 ALA 58 18.533 14.843 6.196 429 H LEU 59 HN LEU 59 17.781 12.777 3.460 430 HA LEU 59 HA LEU 59 20.520 12.359 2.520 431 HB2 LEU 59 HB2 LEU 59 18.725 10.926 1.617 432 HB3 LEU 59 HB1 LEU 59 17.900 12.348 1.013 433 HG LEU 59 HG LEU 59 19.820 12.791 -0.491 434 HD11 LEU 59 HD11 LEU 59 20.812 10.126 0.513 435 HD12 LEU 59 HD12 LEU 59 21.566 11.693 0.805 436 HD13 LEU 59 HD13 LEU 59 21.493 11.042 -0.832 437 HD21 LEU 59 HD21 LEU 59 19.339 10.981 -2.054 438 HD22 LEU 59 HD22 LEU 59 17.863 11.558 -1.281 439 HD23 LEU 59 HD23 LEU 59 18.601 10.045 -0.755 440 H VAL 60 HN VAL 60 21.578 14.255 2.544 441 HA VAL 60 HA VAL 60 20.193 16.683 1.679 442 HB VAL 60 HB VAL 60 22.965 16.411 2.851 443 HG11 VAL 60 HG11 VAL 60 22.635 18.467 1.589 444 HG12 VAL 60 HG12 VAL 60 22.748 18.803 3.317 445 HG13 VAL 60 HG13 VAL 60 21.176 18.815 2.518 446 HG21 VAL 60 HG21 VAL 60 20.366 17.080 4.227 447 HG22 VAL 60 HG22 VAL 60 21.967 17.146 4.966 448 HG23 VAL 60 HG23 VAL 60 21.305 15.600 4.432 449 H ILE 61 HN ILE 61 20.147 16.669 -0.520 450 HA ILE 61 HA ILE 61 22.552 15.955 -2.015 451 HB ILE 61 HB ILE 61 19.851 16.808 -3.081 452 HG12 ILE 61 HG12 ILE 61 20.971 14.019 -2.701 453 HG13 ILE 61 HG11 ILE 61 19.704 14.746 -1.719 454 HG21 ILE 61 HG21 ILE 61 21.669 17.103 -4.672 455 HG22 ILE 61 HG22 ILE 61 20.621 15.774 -5.168 456 HG23 ILE 61 HG23 ILE 61 22.182 15.436 -4.420 457 HD11 ILE 61 HD11 ILE 61 18.788 13.213 -3.366 458 HD12 ILE 61 HD12 ILE 61 19.528 14.149 -4.664 459 HD13 ILE 61 HD13 ILE 61 18.255 14.865 -3.674 460 H ASP 62 HN ASP 62 24.027 17.513 -2.099 461 HA ASP 62 HA ASP 62 25.075 19.458 -2.613 462 HB2 ASP 62 HB2 ASP 62 23.848 19.616 -4.660 463 HB3 ASP 62 HB1 ASP 62 22.403 20.175 -3.823 464 H GLY 63 HN GLY 63 22.043 19.639 -0.947 465 HA2 GLY 63 HA2 GLY 63 22.822 21.103 1.227 466 HA3 GLY 63 HA1 GLY 63 22.366 22.310 0.033 467 H ALA 64 HN ALA 64 20.378 20.286 -1.065 468 HA ALA 64 HA ALA 64 18.185 21.044 0.660 469 HB1 ALA 64 HB1 ALA 64 18.182 19.408 -1.877 470 HB2 ALA 64 HB2 ALA 64 17.948 21.153 -1.781 471 HB3 ALA 64 HB3 ALA 64 16.763 20.062 -1.060 472 H ALA 65 HN ALA 65 17.547 19.855 2.321 473 HA ALA 65 HA ALA 65 18.516 17.132 2.606 474 HB1 ALA 65 HB1 ALA 65 18.729 18.690 4.482 475 HB2 ALA 65 HB2 ALA 65 17.728 17.300 4.903 476 HB3 ALA 65 HB3 ALA 65 16.975 18.855 4.543 477 H PHE 66 HN PHE 66 17.356 15.433 2.058 478 HA PHE 66 HA PHE 66 14.417 15.652 2.078 479 HB2 PHE 66 HB2 PHE 66 16.190 13.813 0.451 480 HB3 PHE 66 HB1 PHE 66 14.429 13.793 0.439 481 HD1 PHE 66 HD1 PHE 66 13.218 15.885 -0.336 482 HD2 PHE 66 HD2 PHE 66 17.381 15.251 -0.955 483 HE1 PHE 66 HE1 PHE 66 13.209 17.586 -2.109 484 HE2 PHE 66 HE2 PHE 66 17.376 16.955 -2.732 485 HZ PHE 66 HZ PHE 66 15.289 18.126 -3.306 486 H HIS 67 HN HIS 67 13.589 14.741 3.820 487 HA HIS 67 HA HIS 67 15.072 12.778 5.333 488 HB2 HIS 67 HB2 HIS 67 12.318 13.954 5.784 489 HB3 HIS 67 HB1 HIS 67 13.196 12.948 6.931 490 HD1 HIS 67 HD1 HIS 67 13.074 16.432 5.550 491 HD2 HIS 67 HD2 HIS 67 15.285 14.204 8.272 492 HE1 HIS 67 HE1 HIS 67 14.446 18.090 6.882 493 H ILE 68 HN ILE 68 14.921 10.661 5.052 494 HA ILE 68 HA ILE 68 12.751 9.605 3.397 495 HB ILE 68 HB ILE 68 15.213 8.162 4.395 496 HG12 ILE 68 HG12 ILE 68 14.739 9.443 1.693 497 HG13 ILE 68 HG11 ILE 68 15.744 10.137 2.958 498 HG21 ILE 68 HG21 ILE 68 14.698 6.581 2.586 499 HG22 ILE 68 HG22 ILE 68 13.241 7.501 2.206 500 HG23 ILE 68 HG23 ILE 68 13.387 6.683 3.762 501 HD11 ILE 68 HD11 ILE 68 16.222 7.518 1.557 502 HD12 ILE 68 HD12 ILE 68 17.230 8.206 2.831 503 HD13 ILE 68 HD13 ILE 68 17.089 9.028 1.276 504 H ASN 69 HN ASN 69 11.005 9.374 4.676 505 HA ASN 69 HA ASN 69 9.620 8.652 6.323 506 HB2 ASN 69 HB2 ASN 69 11.791 6.568 6.655 507 HB3 ASN 69 HB1 ASN 69 10.280 6.539 7.555 508 HD21 ASN 69 HD21 ASN 69 11.416 4.661 5.597 509 HD22 ASN 69 HD22 ASN 69 10.204 4.476 4.380 510 H PHE 70 HN PHE 70 10.113 7.711 8.922 511 HA PHE 70 HA PHE 70 11.686 9.926 10.047 512 HB2 PHE 70 HB2 PHE 70 9.283 10.285 10.402 513 HB3 PHE 70 HB1 PHE 70 9.153 8.705 11.168 514 HD1 PHE 70 HD2 PHE 70 10.832 12.003 11.497 515 HD2 PHE 70 HD1 PHE 70 9.477 8.478 13.462 516 HE1 PHE 70 HE2 PHE 70 11.354 13.021 13.676 517 HE2 PHE 70 HE1 PHE 70 9.999 9.490 15.644 518 HZ PHE 70 HZ PHE 70 10.938 11.763 15.752 519 H GLY 71 HN GLY 71 13.495 9.118 10.847 520 HA2 GLY 71 HA2 GLY 71 13.407 6.533 12.248 521 HA3 GLY 71 HA1 GLY 71 14.861 7.337 11.671 522 H ALA 72 HN ALA 72 15.478 9.345 12.753 523 HA ALA 72 HA ALA 72 14.425 9.641 15.471 524 HB1 ALA 72 HB1 ALA 72 16.361 8.154 15.669 525 HB2 ALA 72 HB2 ALA 72 16.673 9.717 16.425 526 HB3 ALA 72 HB3 ALA 72 17.364 9.349 14.846 527 H GLY 73 HN GLY 73 14.240 11.732 16.077 528 HA2 GLY 73 HA2 GLY 73 14.975 13.745 14.103 529 HA3 GLY 73 HA1 GLY 73 13.928 13.984 15.494 530 H ILE 74 HN ILE 74 16.264 15.525 14.469 531 HA ILE 74 HA ILE 74 18.484 15.106 16.187 532 HB ILE 74 HB ILE 74 18.658 16.330 14.048 533 HG12 ILE 74 HG12 ILE 74 19.462 17.995 16.444 534 HG13 ILE 74 HG11 ILE 74 20.370 16.632 15.797 535 HG21 ILE 74 HG21 ILE 74 17.143 18.509 15.478 536 HG22 ILE 74 HG22 ILE 74 16.579 17.567 14.098 537 HG23 ILE 74 HG23 ILE 74 17.937 18.677 13.912 538 HD11 ILE 74 HD11 ILE 74 19.785 19.202 14.346 539 HD12 ILE 74 HD12 ILE 74 20.716 17.843 13.716 540 HD13 ILE 74 HD13 ILE 74 21.317 18.759 15.097 541 H ASP 75 HN ASP 75 15.517 16.902 16.463 542 HA ASP 75 HA ASP 75 16.063 18.600 18.598 543 HB2 ASP 75 HB2 ASP 75 13.482 17.088 18.131 544 HB3 ASP 75 HB1 ASP 75 13.671 18.591 19.025 545 H ASP 76 HN ASP 76 15.207 15.195 18.544 546 HA ASP 76 HA ASP 76 14.947 15.050 21.419 547 HB2 ASP 76 HB2 ASP 76 13.517 13.740 19.809 548 HB3 ASP 76 HB1 ASP 76 14.940 12.776 19.429 549 H LEU 77 HN LEU 77 17.421 14.675 19.100 550 HA LEU 77 HA LEU 77 19.056 12.846 20.573 551 HB2 LEU 77 HB2 LEU 77 19.755 14.764 18.347 552 HB3 LEU 77 HB1 LEU 77 20.836 13.542 18.988 553 HG LEU 77 HG LEU 77 18.225 13.010 17.567 554 HD11 LEU 77 HD11 LEU 77 21.082 12.614 16.688 555 HD12 LEU 77 HD12 LEU 77 19.955 13.819 16.063 556 HD13 LEU 77 HD13 LEU 77 19.650 12.103 15.795 557 HD21 LEU 77 HD21 LEU 77 18.919 10.661 17.639 558 HD22 LEU 77 HD22 LEU 77 18.681 11.321 19.257 559 HD23 LEU 77 HD23 LEU 77 20.313 11.106 18.622 560 H LYS 78 HN LYS 78 18.556 16.274 20.566 561 HA LYS 78 HA LYS 78 20.976 16.993 21.876 562 HB2 LYS 78 HB2 LYS 78 18.332 18.447 21.703 563 HB3 LYS 78 HB1 LYS 78 19.815 19.141 22.342 564 HG2 LYS 78 HG2 LYS 78 20.886 18.811 20.150 565 HG3 LYS 78 HG1 LYS 78 19.358 18.191 19.523 566 HD2 LYS 78 HD2 LYS 78 18.284 20.323 19.998 567 HD3 LYS 78 HD1 LYS 78 19.790 20.944 20.676 568 HE2 LYS 78 HE2 LYS 78 20.874 20.621 18.482 569 HE3 LYS 78 HE1 LYS 78 19.329 20.086 17.823 570 HZ1 LYS 78 HZ1 LYS 78 19.762 22.750 19.055 571 HZ2 LYS 78 HZ2 LYS 78 18.395 22.228 18.190 572 HZ3 LYS 78 HZ3 LYS 78 19.876 22.454 17.390 573 H GLY 79 HN GLY 79 17.623 16.801 23.117 574 HA2 GLY 79 HA2 GLY 79 18.150 15.281 25.352 575 HA3 GLY 79 HA1 GLY 79 18.482 16.938 25.836 576 H SER 80 HN SER 80 16.849 17.985 26.714 577 HA SER 80 HA SER 80 14.147 16.954 26.385 578 HB2 SER 80 HB2 SER 80 15.147 19.195 28.164 579 HB3 SER 80 HB1 SER 80 13.572 18.408 28.252 580 HG SER 80 HG SER 80 15.132 16.419 28.457 581 H1 VAL 1 HT1 VAL 1 12.401 -5.538 -18.998 582 H2 VAL 1 HT2 VAL 1 12.475 -3.866 -18.724 583 H3 VAL 1 HT3 VAL 1 12.065 -4.914 -17.457 584 HA VAL 1 HA VAL 1 14.243 -5.911 -17.521 585 HB VAL 1 HB VAL 1 14.713 -5.530 -19.902 586 HG11 VAL 1 HG11 VAL 1 15.500 -3.350 -20.694 587 HG12 VAL 1 HG12 VAL 1 15.101 -2.643 -19.129 588 HG13 VAL 1 HG13 VAL 1 13.821 -3.290 -20.157 589 HG21 VAL 1 HG21 VAL 1 16.570 -6.031 -18.424 590 HG22 VAL 1 HG22 VAL 1 16.774 -4.316 -18.067 591 HG23 VAL 1 HG23 VAL 1 17.080 -4.920 -19.696 592 H ALA 2 HN ALA 2 13.079 -2.612 -17.568 593 HA ALA 2 HA ALA 2 15.011 -1.888 -15.484 594 HB1 ALA 2 HB1 ALA 2 14.835 -0.375 -17.415 595 HB2 ALA 2 HB2 ALA 2 14.382 0.417 -15.906 596 HB3 ALA 2 HB3 ALA 2 13.133 -0.107 -17.035 597 H SER 3 HN SER 3 14.413 -1.839 -13.438 598 HA SER 3 HA SER 3 11.784 -2.399 -12.561 599 HB2 SER 3 HB2 SER 3 14.036 -1.141 -10.974 600 HB3 SER 3 HB1 SER 3 12.665 -2.054 -10.338 601 HG SER 3 HG SER 3 13.504 -3.911 -11.134 602 H LYS 4 HN LYS 4 10.210 -1.025 -11.697 603 HA LYS 4 HA LYS 4 10.493 1.732 -12.603 604 HB2 LYS 4 HB2 LYS 4 8.067 1.874 -12.475 605 HB3 LYS 4 HB1 LYS 4 8.565 0.505 -13.454 606 HG2 LYS 4 HG2 LYS 4 8.102 -1.000 -11.581 607 HG3 LYS 4 HG1 LYS 4 7.592 0.380 -10.604 608 HD2 LYS 4 HD2 LYS 4 5.824 0.871 -12.223 609 HD3 LYS 4 HD1 LYS 4 6.335 -0.503 -13.202 610 HE2 LYS 4 HE2 LYS 4 5.815 -2.004 -11.315 611 HE3 LYS 4 HE1 LYS 4 5.247 -0.613 -10.390 612 HZ1 LYS 4 HZ1 LYS 4 4.112 -1.529 -12.978 613 HZ2 LYS 4 HZ2 LYS 4 3.542 -0.231 -12.046 614 HZ3 LYS 4 HZ3 LYS 4 3.421 -1.817 -11.455 615 H ALA 5 HN ALA 5 10.104 3.482 -11.367 616 HA ALA 5 HA ALA 5 9.836 3.058 -8.463 617 HB1 ALA 5 HB1 ALA 5 11.177 5.085 -8.141 618 HB2 ALA 5 HB2 ALA 5 11.377 5.233 -9.886 619 HB3 ALA 5 HB3 ALA 5 12.078 3.860 -9.032 620 H ILE 6 HN ILE 6 7.959 3.824 -7.721 621 HA ILE 6 HA ILE 6 6.457 5.628 -9.486 622 HB ILE 6 HB ILE 6 5.345 3.944 -7.238 623 HG12 ILE 6 HG12 ILE 6 5.394 3.349 -10.209 624 HG13 ILE 6 HG11 ILE 6 6.385 2.537 -9.002 625 HG21 ILE 6 HG21 ILE 6 4.032 5.358 -9.559 626 HG22 ILE 6 HG22 ILE 6 3.969 5.852 -7.867 627 HG23 ILE 6 HG23 ILE 6 3.207 4.345 -8.374 628 HD11 ILE 6 HD11 ILE 6 3.379 2.486 -9.133 629 HD12 ILE 6 HD12 ILE 6 4.379 1.661 -7.937 630 HD13 ILE 6 HD13 ILE 6 4.465 1.190 -9.635 631 H PHE 7 HN PHE 7 6.451 7.673 -8.930 632 HA PHE 7 HA PHE 7 6.862 8.433 -6.131 633 HB2 PHE 7 HB2 PHE 7 8.314 9.458 -7.871 634 HB3 PHE 7 HB1 PHE 7 6.884 10.150 -8.629 635 HD1 PHE 7 HD1 PHE 7 8.943 10.194 -5.555 636 HD2 PHE 7 HD2 PHE 7 5.970 12.183 -7.867 637 HE1 PHE 7 HE1 PHE 7 9.154 12.179 -4.116 638 HE2 PHE 7 HE2 PHE 7 6.179 14.170 -6.431 639 HZ PHE 7 HZ PHE 7 7.773 14.169 -4.554 640 H TYR 8 HN TYR 8 5.185 9.009 -4.927 641 HA TYR 8 HA TYR 8 2.661 9.692 -6.276 642 HB2 TYR 8 HB2 TYR 8 3.227 8.501 -3.563 643 HB3 TYR 8 HB1 TYR 8 1.648 9.142 -4.002 644 HD1 TYR 8 HD1 TYR 8 0.395 8.086 -5.901 645 HD2 TYR 8 HD2 TYR 8 3.898 6.338 -4.243 646 HE1 TYR 8 HE1 TYR 8 -0.221 5.928 -6.898 647 HE2 TYR 8 HE2 TYR 8 3.291 4.173 -5.238 648 HH TYR 8 HH TYR 8 1.260 3.014 -6.036 649 H HIS 9 HN HIS 9 1.765 11.631 -5.997 650 HA HIS 9 HA HIS 9 2.355 13.208 -3.652 651 HB2 HIS 9 HB2 HIS 9 3.257 15.124 -4.771 652 HB3 HIS 9 HB1 HIS 9 4.227 13.735 -5.235 653 HD2 HIS 9 HD2 HIS 9 3.530 12.741 -7.906 654 HE1 HIS 9 HE1 HIS 9 2.279 16.605 -9.089 655 HE2 HIS 9 HE2 HIS 9 3.155 14.369 -9.891 656 H ALA 10 HN ALA 10 1.251 15.531 -4.116 657 HA ALA 10 HA ALA 10 -1.316 15.060 -5.459 658 HB1 ALA 10 HB1 ALA 10 -1.631 14.539 -3.090 659 HB2 ALA 10 HB2 ALA 10 -2.527 15.988 -3.550 660 HB3 ALA 10 HB3 ALA 10 -1.016 16.134 -2.654 661 H GLY 11 HN GLY 11 1.126 16.653 -6.046 662 HA2 GLY 11 HA2 GLY 11 1.577 18.708 -6.981 663 HA3 GLY 11 HA1 GLY 11 -0.140 19.068 -6.858 664 H CYS 12 HN CYS 12 2.610 18.599 -4.664 665 HA CYS 12 HA CYS 12 1.676 20.929 -3.119 666 HB2 CYS 12 HB2 CYS 12 3.300 18.609 -2.054 667 HB3 CYS 12 HB1 CYS 12 2.497 19.871 -1.127 668 HG CYS 12 HG CYS 12 0.146 18.784 -0.977 669 HA PRO 13 HA PRO 13 5.506 23.018 -3.983 670 HB2 PRO 13 HB2 PRO 13 5.586 23.539 -1.046 671 HB3 PRO 13 HB1 PRO 13 5.737 24.672 -2.394 672 HG2 PRO 13 HG2 PRO 13 3.479 24.532 -0.996 673 HG3 PRO 13 HG1 PRO 13 3.444 24.753 -2.755 674 HD2 PRO 13 HD2 PRO 13 2.879 22.310 -1.139 675 HD3 PRO 13 HD1 PRO 13 2.126 22.866 -2.646 676 H VAL 14 HN VAL 14 5.332 20.905 -1.165 677 HA VAL 14 HA VAL 14 8.080 20.546 -0.732 678 HB VAL 14 HB VAL 14 5.858 18.578 -0.157 679 HG11 VAL 14 HG11 VAL 14 7.350 17.761 1.616 680 HG12 VAL 14 HG12 VAL 14 8.604 18.868 1.057 681 HG13 VAL 14 HG13 VAL 14 8.053 17.559 0.012 682 HG21 VAL 14 HG21 VAL 14 5.782 19.593 2.073 683 HG22 VAL 14 HG22 VAL 14 5.366 20.754 0.813 684 HG23 VAL 14 HG23 VAL 14 6.962 20.799 1.560 685 H CYS 15 HN CYS 15 5.779 18.661 -2.710 686 HA CYS 15 HA CYS 15 7.803 16.730 -3.363 687 HB2 CYS 15 HB2 CYS 15 6.098 15.723 -4.839 688 HB3 CYS 15 HB1 CYS 15 5.531 15.945 -3.190 689 HG CYS 15 HG CYS 15 4.186 16.965 -5.985 690 H VAL 16 HN VAL 16 6.768 19.725 -4.687 691 HA VAL 16 HA VAL 16 7.569 19.401 -7.357 692 HB VAL 16 HB VAL 16 7.737 21.878 -5.623 693 HG11 VAL 16 HG11 VAL 16 7.799 23.134 -7.730 694 HG12 VAL 16 HG12 VAL 16 7.884 21.617 -8.626 695 HG13 VAL 16 HG13 VAL 16 9.205 22.083 -7.555 696 HG21 VAL 16 HG21 VAL 16 5.471 20.994 -5.838 697 HG22 VAL 16 HG22 VAL 16 5.634 20.987 -7.594 698 HG23 VAL 16 HG23 VAL 16 5.644 22.515 -6.714 699 H SER 17 HN SER 17 9.406 20.663 -4.580 700 HA SER 17 HA SER 17 11.896 20.774 -5.879 701 HB2 SER 17 HB2 SER 17 11.446 20.326 -2.923 702 HB3 SER 17 HB1 SER 17 12.812 21.133 -3.697 703 HG SER 17 HG SER 17 11.708 22.913 -3.573 704 H ALA 18 HN ALA 18 10.335 18.255 -3.943 705 HA ALA 18 HA ALA 18 12.479 16.456 -3.803 706 HB1 ALA 18 HB1 ALA 18 9.528 15.831 -3.850 707 HB2 ALA 18 HB2 ALA 18 10.469 16.261 -2.422 708 HB3 ALA 18 HB3 ALA 18 10.810 14.760 -3.281 709 H GLU 19 HN GLU 19 9.880 16.763 -6.195 710 HA GLU 19 HA GLU 19 10.567 14.543 -7.780 711 HB2 GLU 19 HB2 GLU 19 8.412 15.770 -7.924 712 HB3 GLU 19 HB1 GLU 19 9.259 17.135 -8.636 713 HG2 GLU 19 HG2 GLU 19 10.014 15.442 -10.427 714 HG3 GLU 19 HG1 GLU 19 8.695 14.447 -9.811 715 H GLN 20 HN GLN 20 11.414 17.976 -8.063 716 HA GLN 20 HA GLN 20 12.912 17.560 -10.466 717 HB2 GLN 20 HB2 GLN 20 12.782 19.980 -8.666 718 HB3 GLN 20 HB1 GLN 20 13.447 19.940 -10.295 719 HG2 GLN 20 HG2 GLN 20 11.239 19.331 -11.168 720 HG3 GLN 20 HG1 GLN 20 10.583 19.415 -9.534 721 HE21 GLN 20 HE21 GLN 20 12.279 21.723 -8.858 722 HE22 GLN 20 HE22 GLN 20 11.564 23.079 -9.663 723 H ALA 21 HN ALA 21 13.673 16.980 -7.262 724 HA ALA 21 HA ALA 21 16.544 17.267 -7.846 725 HB1 ALA 21 HB1 ALA 21 15.208 16.873 -5.175 726 HB2 ALA 21 HB2 ALA 21 15.788 18.410 -5.819 727 HB3 ALA 21 HB3 ALA 21 16.931 17.117 -5.455 728 H VAL 22 HN VAL 22 14.469 15.028 -5.982 729 HA VAL 22 HA VAL 22 16.398 12.933 -6.156 730 HB VAL 22 HB VAL 22 13.502 12.729 -5.319 731 HG11 VAL 22 HG11 VAL 22 14.526 10.568 -5.809 732 HG12 VAL 22 HG12 VAL 22 14.241 10.750 -4.079 733 HG13 VAL 22 HG13 VAL 22 15.868 10.951 -4.729 734 HG21 VAL 22 HG21 VAL 22 14.649 14.412 -3.993 735 HG22 VAL 22 HG22 VAL 22 15.962 13.282 -3.661 736 HG23 VAL 22 HG23 VAL 22 14.348 12.969 -3.022 737 H ALA 23 HN ALA 23 13.180 13.410 -7.627 738 HA ALA 23 HA ALA 23 13.399 10.998 -9.180 739 HB1 ALA 23 HB1 ALA 23 11.257 11.653 -10.139 740 HB2 ALA 23 HB2 ALA 23 11.390 13.241 -9.384 741 HB3 ALA 23 HB3 ALA 23 11.227 11.799 -8.381 742 H ASN 24 HN ASN 24 14.832 13.928 -9.461 743 HA ASN 24 HA ASN 24 14.883 13.976 -12.381 744 HB2 ASN 24 HB2 ASN 24 14.817 16.063 -10.840 745 HB3 ASN 24 HB1 ASN 24 16.518 15.726 -10.550 746 HD21 ASN 24 HD21 ASN 24 15.476 18.070 -11.705 747 HD22 ASN 24 HD22 ASN 24 16.069 18.177 -13.326 748 H ALA 25 HN ALA 25 16.904 13.333 -9.583 749 HA ALA 25 HA ALA 25 19.287 12.738 -11.018 750 HB1 ALA 25 HB1 ALA 25 19.303 13.390 -8.654 751 HB2 ALA 25 HB2 ALA 25 20.093 11.831 -8.902 752 HB3 ALA 25 HB3 ALA 25 18.460 11.897 -8.240 753 H ILE 26 HN ILE 26 16.537 10.870 -9.889 754 HA ILE 26 HA ILE 26 17.661 8.396 -10.930 755 HB ILE 26 HB ILE 26 14.896 8.882 -9.798 756 HG12 ILE 26 HG12 ILE 26 17.342 7.741 -8.426 757 HG13 ILE 26 HG11 ILE 26 16.711 9.364 -8.165 758 HG21 ILE 26 HG21 ILE 26 15.040 6.901 -11.210 759 HG22 ILE 26 HG22 ILE 26 14.848 6.444 -9.518 760 HG23 ILE 26 HG23 ILE 26 16.431 6.329 -10.289 761 HD11 ILE 26 HD11 ILE 26 14.646 8.424 -7.283 762 HD12 ILE 26 HD12 ILE 26 16.050 7.846 -6.386 763 HD13 ILE 26 HD13 ILE 26 15.262 6.796 -7.563 764 H ASP 27 HN ASP 27 17.794 8.640 -13.113 765 HA ASP 27 HA ASP 27 15.510 9.680 -14.581 766 HB2 ASP 27 HB2 ASP 27 16.979 9.752 -16.499 767 HB3 ASP 27 HB1 ASP 27 17.812 10.455 -15.118 768 HA PRO 28 HA PRO 28 13.673 5.957 -15.864 769 HB2 PRO 28 HB2 PRO 28 13.791 6.879 -18.680 770 HB3 PRO 28 HB1 PRO 28 12.394 6.433 -17.694 771 HG2 PRO 28 HG2 PRO 28 12.890 8.983 -18.249 772 HG3 PRO 28 HG1 PRO 28 12.312 8.502 -16.641 773 HD2 PRO 28 HD2 PRO 28 15.087 9.209 -17.524 774 HD3 PRO 28 HD1 PRO 28 14.230 9.657 -16.034 775 H SER 29 HN SER 29 16.706 6.774 -17.354 776 HA SER 29 HA SER 29 16.911 4.293 -18.812 777 HB2 SER 29 HB2 SER 29 19.032 6.362 -18.187 778 HB3 SER 29 HB1 SER 29 19.210 5.018 -19.313 779 HG SER 29 HG SER 29 18.157 7.434 -19.752 780 H LYS 30 HN LYS 30 17.301 5.248 -15.606 781 HA LYS 30 HA LYS 30 18.909 2.853 -15.023 782 HB2 LYS 30 HB2 LYS 30 19.745 4.994 -14.076 783 HB3 LYS 30 HB1 LYS 30 18.233 5.171 -13.197 784 HG2 LYS 30 HG2 LYS 30 18.709 3.136 -11.944 785 HG3 LYS 30 HG1 LYS 30 20.217 2.934 -12.839 786 HD2 LYS 30 HD2 LYS 30 21.049 5.039 -11.942 787 HD3 LYS 30 HD1 LYS 30 19.527 5.287 -11.083 788 HE2 LYS 30 HE2 LYS 30 21.184 4.443 -9.549 789 HE3 LYS 30 HE1 LYS 30 19.945 3.218 -9.808 790 HZ1 LYS 30 HZ1 LYS 30 22.614 3.274 -11.124 791 HZ2 LYS 30 HZ2 LYS 30 21.425 2.080 -11.335 792 HZ3 LYS 30 HZ3 LYS 30 22.171 2.274 -9.826 793 H TYR 31 HN TYR 31 16.072 4.660 -13.864 794 HA TYR 31 HA TYR 31 14.695 2.103 -13.471 795 HB2 TYR 31 HB2 TYR 31 14.845 4.344 -11.444 796 HB3 TYR 31 HB1 TYR 31 13.636 3.066 -11.384 797 HD1 TYR 31 HD2 TYR 31 14.715 0.606 -11.559 798 HD2 TYR 31 HD1 TYR 31 16.713 4.076 -10.115 799 HE1 TYR 31 HE2 TYR 31 16.276 -0.820 -10.307 800 HE2 TYR 31 HE1 TYR 31 18.279 2.655 -8.858 801 HH TYR 31 HH TYR 31 18.266 0.314 -7.883 802 H THR 32 HN THR 32 12.561 2.139 -14.055 803 HA THR 32 HA THR 32 11.747 4.331 -15.711 804 HB THR 32 HB THR 32 10.079 1.965 -14.830 805 HG1 THR 32 HG1 THR 32 12.224 2.180 -16.577 806 HG21 THR 32 HG21 THR 32 8.879 2.357 -16.925 807 HG22 THR 32 HG22 THR 32 9.924 3.734 -17.276 808 HG23 THR 32 HG23 THR 32 8.826 3.791 -15.898 809 H VAL 33 HN VAL 33 11.068 6.177 -14.814 810 HA VAL 33 HA VAL 33 9.936 6.226 -12.168 811 HB VAL 33 HB VAL 33 10.297 8.517 -14.109 812 HG11 VAL 33 HG11 VAL 33 8.728 9.032 -12.330 813 HG12 VAL 33 HG12 VAL 33 10.236 9.913 -12.087 814 HG13 VAL 33 HG13 VAL 33 9.888 8.481 -11.120 815 HG21 VAL 33 HG21 VAL 33 12.423 7.410 -13.670 816 HG22 VAL 33 HG22 VAL 33 12.140 7.530 -11.934 817 HG23 VAL 33 HG23 VAL 33 12.369 8.992 -12.893 818 H GLU 34 HN GLU 34 7.876 6.087 -11.695 819 HA GLU 34 HA GLU 34 5.867 6.921 -13.693 820 HB2 GLU 34 HB2 GLU 34 5.781 4.504 -13.226 821 HB3 GLU 34 HB1 GLU 34 5.628 4.835 -11.507 822 HG2 GLU 34 HG2 GLU 34 3.475 4.279 -12.341 823 HG3 GLU 34 HG1 GLU 34 3.486 6.006 -11.990 824 H ILE 35 HN ILE 35 5.087 8.856 -13.112 825 HA ILE 35 HA ILE 35 4.999 9.518 -10.250 826 HB ILE 35 HB ILE 35 4.770 11.381 -12.623 827 HG12 ILE 35 HG12 ILE 35 7.089 10.873 -10.741 828 HG13 ILE 35 HG11 ILE 35 7.011 10.368 -12.424 829 HG21 ILE 35 HG21 ILE 35 3.608 12.207 -10.644 830 HG22 ILE 35 HG22 ILE 35 5.058 13.161 -10.962 831 HG23 ILE 35 HG23 ILE 35 5.059 11.955 -9.674 832 HD11 ILE 35 HD11 ILE 35 7.026 13.209 -11.432 833 HD12 ILE 35 HD12 ILE 35 6.951 12.706 -13.120 834 HD13 ILE 35 HD13 ILE 35 8.385 12.350 -12.156 835 H VAL 36 HN VAL 36 3.110 9.539 -9.227 836 HA VAL 36 HA VAL 36 0.658 9.620 -10.867 837 HB VAL 36 HB VAL 36 1.064 8.077 -8.297 838 HG11 VAL 36 HG11 VAL 36 -1.286 8.186 -10.183 839 HG12 VAL 36 HG12 VAL 36 -1.220 8.857 -8.554 840 HG13 VAL 36 HG13 VAL 36 -1.136 7.111 -8.792 841 HG21 VAL 36 HG21 VAL 36 0.899 6.068 -9.693 842 HG22 VAL 36 HG22 VAL 36 2.290 7.057 -10.139 843 HG23 VAL 36 HG23 VAL 36 0.836 7.079 -11.137 844 H HIS 37 HN HIS 37 -0.650 11.243 -10.454 845 HA HIS 37 HA HIS 37 -0.335 12.836 -8.040 846 HB2 HIS 37 HB2 HIS 37 -0.642 13.780 -10.413 847 HB3 HIS 37 HB1 HIS 37 -2.321 13.280 -10.273 848 HD2 HIS 37 HD2 HIS 37 -0.104 16.222 -9.463 849 HE1 HIS 37 HE1 HIS 37 -3.686 16.750 -7.279 850 HE2 HIS 37 HE2 HIS 37 -1.658 17.914 -8.250 851 H LEU 38 HN LEU 38 -1.437 12.242 -6.271 852 HA LEU 38 HA LEU 38 -3.657 10.395 -6.529 853 HB2 LEU 38 HB2 LEU 38 -2.304 11.536 -4.085 854 HB3 LEU 38 HB1 LEU 38 -3.578 10.332 -4.047 855 HG LEU 38 HG LEU 38 -0.811 9.989 -5.202 856 HD11 LEU 38 HD11 LEU 38 -0.568 8.308 -3.452 857 HD12 LEU 38 HD12 LEU 38 -2.190 8.679 -2.865 858 HD13 LEU 38 HD13 LEU 38 -0.917 9.895 -2.766 859 HD21 LEU 38 HD21 LEU 38 -1.483 7.672 -5.637 860 HD22 LEU 38 HD22 LEU 38 -2.428 8.822 -6.585 861 HD23 LEU 38 HD23 LEU 38 -3.133 8.068 -5.154 862 H GLY 39 HN GLY 39 -3.404 13.687 -6.569 863 HA2 GLY 39 HA2 GLY 39 -5.884 14.169 -5.088 864 HA3 GLY 39 HA1 GLY 39 -4.803 15.401 -5.729 865 H THR 40 HN THR 40 -6.413 12.612 -7.221 866 HA THR 40 HA THR 40 -8.080 14.337 -8.839 867 HB THR 40 HB THR 40 -6.023 12.549 -10.159 868 HG1 THR 40 HG1 THR 40 -5.800 15.036 -9.306 869 HG21 THR 40 HG21 THR 40 -8.148 12.589 -11.375 870 HG22 THR 40 HG22 THR 40 -6.893 13.453 -12.264 871 HG23 THR 40 HG23 THR 40 -8.122 14.351 -11.373 872 H ASP 41 HN ASP 41 -6.889 11.027 -8.282 873 HA ASP 41 HA ASP 41 -9.638 10.079 -8.763 874 HB2 ASP 41 HB2 ASP 41 -7.848 9.487 -10.536 875 HB3 ASP 41 HB1 ASP 41 -7.207 8.391 -9.318 876 H LYS 42 HN LYS 42 -10.526 9.014 -7.117 877 HA LYS 42 HA LYS 42 -9.060 8.646 -4.691 878 HB2 LYS 42 HB2 LYS 42 -11.887 8.064 -5.524 879 HB3 LYS 42 HB1 LYS 42 -11.269 7.497 -3.979 880 HG2 LYS 42 HG2 LYS 42 -10.698 9.840 -3.400 881 HG3 LYS 42 HG1 LYS 42 -11.459 10.356 -4.906 882 HD2 LYS 42 HD2 LYS 42 -13.592 9.648 -4.190 883 HD3 LYS 42 HD1 LYS 42 -12.921 8.709 -2.857 884 HE2 LYS 42 HE2 LYS 42 -13.904 10.701 -1.960 885 HE3 LYS 42 HE1 LYS 42 -12.153 10.834 -1.823 886 HZ1 LYS 42 HZ1 LYS 42 -12.203 12.193 -3.884 887 HZ2 LYS 42 HZ2 LYS 42 -13.011 12.900 -2.575 888 HZ3 LYS 42 HZ3 LYS 42 -13.901 12.169 -3.817 889 H ALA 43 HN ALA 43 -9.707 6.658 -7.427 890 HA ALA 43 HA ALA 43 -9.413 4.126 -6.156 891 HB1 ALA 43 HB1 ALA 43 -8.833 4.899 -9.014 892 HB2 ALA 43 HB2 ALA 43 -10.386 4.346 -8.388 893 HB3 ALA 43 HB3 ALA 43 -9.000 3.255 -8.398 894 H ARG 44 HN ARG 44 -7.208 6.521 -7.409 895 HA ARG 44 HA ARG 44 -4.845 4.950 -7.264 896 HB2 ARG 44 HB2 ARG 44 -5.322 7.926 -7.274 897 HB3 ARG 44 HB1 ARG 44 -3.710 7.236 -7.169 898 HG2 ARG 44 HG2 ARG 44 -5.666 6.859 -9.427 899 HG3 ARG 44 HG1 ARG 44 -4.220 7.870 -9.443 900 HD2 ARG 44 HD2 ARG 44 -2.923 5.744 -8.914 901 HD3 ARG 44 HD1 ARG 44 -4.400 4.871 -9.317 902 HE ARG 44 HE ARG 44 -2.593 6.189 -11.142 903 HH11 ARG 44 HH11 ARG 44 -5.815 4.879 -10.702 904 HH12 ARG 44 HH12 ARG 44 -6.123 4.738 -12.407 905 HH21 ARG 44 HH21 ARG 44 -2.972 5.965 -13.356 906 HH22 ARG 44 HH22 ARG 44 -4.493 5.332 -13.917 907 H ILE 45 HN ILE 45 -6.629 6.924 -4.994 908 HA ILE 45 HA ILE 45 -4.742 7.013 -2.913 909 HB ILE 45 HB ILE 45 -7.765 7.018 -2.772 910 HG12 ILE 45 HG12 ILE 45 -5.757 9.284 -2.728 911 HG13 ILE 45 HG11 ILE 45 -6.795 8.862 -4.085 912 HG21 ILE 45 HG21 ILE 45 -5.747 7.770 -0.663 913 HG22 ILE 45 HG22 ILE 45 -6.836 6.383 -0.623 914 HG23 ILE 45 HG23 ILE 45 -7.489 8.021 -0.549 915 HD11 ILE 45 HD11 ILE 45 -7.727 9.823 -1.388 916 HD12 ILE 45 HD12 ILE 45 -8.762 9.415 -2.757 917 HD13 ILE 45 HD13 ILE 45 -7.652 10.781 -2.867 918 H ALA 46 HN ALA 46 -7.262 4.668 -3.728 919 HA ALA 46 HA ALA 46 -6.858 2.919 -1.560 920 HB1 ALA 46 HB1 ALA 46 -8.022 1.255 -2.907 921 HB2 ALA 46 HB2 ALA 46 -7.819 2.260 -4.343 922 HB3 ALA 46 HB3 ALA 46 -8.832 2.819 -3.011 923 H GLU 47 HN GLU 47 -5.408 3.071 -4.785 924 HA GLU 47 HA GLU 47 -3.857 0.718 -4.538 925 HB2 GLU 47 HB2 GLU 47 -3.409 3.142 -6.286 926 HB3 GLU 47 HB1 GLU 47 -2.583 1.599 -6.464 927 HG2 GLU 47 HG2 GLU 47 -4.772 0.521 -6.854 928 HG3 GLU 47 HG1 GLU 47 -5.527 2.113 -6.793 929 H ALA 48 HN ALA 48 -3.300 4.057 -3.635 930 HA ALA 48 HA ALA 48 -0.554 3.890 -3.069 931 HB1 ALA 48 HB1 ALA 48 -0.894 5.857 -1.670 932 HB2 ALA 48 HB2 ALA 48 -2.639 5.600 -1.714 933 HB3 ALA 48 HB3 ALA 48 -1.771 6.014 -3.192 934 H GLU 49 HN GLU 49 -3.338 3.609 -0.847 935 HA GLU 49 HA GLU 49 -1.835 2.790 1.387 936 HB2 GLU 49 HB2 GLU 49 -4.730 2.186 0.759 937 HB3 GLU 49 HB1 GLU 49 -3.974 2.061 2.342 938 HG2 GLU 49 HG2 GLU 49 -3.529 4.484 2.285 939 HG3 GLU 49 HG1 GLU 49 -4.376 4.578 0.742 940 H LYS 50 HN LYS 50 -3.168 1.058 -1.314 941 HA LYS 50 HA LYS 50 -2.941 -1.573 -0.351 942 HB2 LYS 50 HB2 LYS 50 -4.219 -1.073 -2.333 943 HB3 LYS 50 HB1 LYS 50 -2.798 -0.440 -3.147 944 HG2 LYS 50 HG2 LYS 50 -1.813 -2.718 -3.069 945 HG3 LYS 50 HG1 LYS 50 -3.342 -3.303 -2.403 946 HD2 LYS 50 HD2 LYS 50 -4.518 -2.533 -4.396 947 HD3 LYS 50 HD1 LYS 50 -3.007 -1.908 -5.061 948 HE2 LYS 50 HE2 LYS 50 -3.603 -4.793 -4.422 949 HE3 LYS 50 HE1 LYS 50 -3.592 -4.075 -6.032 950 HZ1 LYS 50 HZ1 LYS 50 -1.244 -4.226 -4.210 951 HZ2 LYS 50 HZ2 LYS 50 -1.245 -3.609 -5.790 952 HZ3 LYS 50 HZ3 LYS 50 -1.531 -5.258 -5.524 953 H ALA 51 HN ALA 51 -0.619 0.587 -1.875 954 HA ALA 51 HA ALA 51 1.403 -1.481 -2.055 955 HB1 ALA 51 HB1 ALA 51 1.603 1.473 -2.627 956 HB2 ALA 51 HB2 ALA 51 1.230 0.218 -3.808 957 HB3 ALA 51 HB3 ALA 51 2.811 0.253 -3.027 958 H GLY 52 HN GLY 52 0.482 1.049 0.119 959 HA2 GLY 52 HA2 GLY 52 1.337 0.758 2.426 960 HA3 GLY 52 HA1 GLY 52 2.926 0.537 1.706 961 H VAL 53 HN VAL 53 1.259 2.820 -0.026 962 HA VAL 53 HA VAL 53 2.886 4.963 1.011 963 HB VAL 53 HB VAL 53 0.724 5.124 -1.095 964 HG11 VAL 53 HG11 VAL 53 3.110 6.878 -0.535 965 HG12 VAL 53 HG12 VAL 53 1.420 7.278 -0.222 966 HG13 VAL 53 HG13 VAL 53 1.985 7.070 -1.880 967 HG21 VAL 53 HG21 VAL 53 2.322 3.410 -1.730 968 HG22 VAL 53 HG22 VAL 53 3.659 4.525 -1.446 969 HG23 VAL 53 HG23 VAL 53 2.512 4.837 -2.749 970 H LYS 54 HN LYS 54 2.215 5.609 2.982 971 HA LYS 54 HA LYS 54 -0.642 6.036 3.433 972 HB2 LYS 54 HB2 LYS 54 1.677 5.977 5.374 973 HB3 LYS 54 HB1 LYS 54 -0.009 6.213 5.824 974 HG2 LYS 54 HG2 LYS 54 -0.567 4.009 4.966 975 HG3 LYS 54 HG1 LYS 54 1.104 3.770 4.456 976 HD2 LYS 54 HD2 LYS 54 1.829 3.935 6.796 977 HD3 LYS 54 HD1 LYS 54 0.147 4.145 7.293 978 HE2 LYS 54 HE2 LYS 54 -0.406 1.948 6.397 979 HE3 LYS 54 HE1 LYS 54 1.257 1.739 5.851 980 HZ1 LYS 54 HZ1 LYS 54 1.974 1.845 8.171 981 HZ2 LYS 54 HZ2 LYS 54 0.885 0.573 7.911 982 HZ3 LYS 54 HZ3 LYS 54 0.360 1.994 8.676 983 H SER 55 HN SER 55 2.036 7.764 2.484 984 HA SER 55 HA SER 55 0.559 10.240 2.918 985 HB2 SER 55 HB2 SER 55 2.079 10.191 4.814 986 HB3 SER 55 HB1 SER 55 3.441 9.828 3.758 987 HG SER 55 HG SER 55 3.227 11.878 2.840 988 H VAL 56 HN VAL 56 0.816 11.717 1.261 989 HA VAL 56 HA VAL 56 2.324 10.912 -1.049 990 HB VAL 56 HB VAL 56 1.679 13.198 -1.951 991 HG11 VAL 56 HG11 VAL 56 -0.499 11.318 -1.060 992 HG12 VAL 56 HG12 VAL 56 0.469 11.181 -2.528 993 HG13 VAL 56 HG13 VAL 56 -0.651 12.530 -2.332 994 HG21 VAL 56 HG21 VAL 56 -0.017 13.245 0.541 995 HG22 VAL 56 HG22 VAL 56 -0.136 14.369 -0.814 996 HG23 VAL 56 HG23 VAL 56 1.321 14.334 0.177 997 HA PRO 57 HA PRO 57 5.609 13.218 -2.388 998 HB2 PRO 57 HB2 PRO 57 5.959 14.488 0.316 999 HB3 PRO 57 HB1 PRO 57 6.746 14.905 -1.218 1000 HG2 PRO 57 HG2 PRO 57 4.314 15.991 -0.284 1001 HG3 PRO 57 HG1 PRO 57 4.921 16.086 -1.947 1002 HD2 PRO 57 HD2 PRO 57 2.584 14.743 -1.175 1003 HD3 PRO 57 HD1 PRO 57 3.490 14.417 -2.677 1004 H ALA 58 HN ALA 58 5.622 10.973 -2.378 1005 HA ALA 58 HA ALA 58 7.711 9.885 -0.676 1006 HB1 ALA 58 HB1 ALA 58 5.017 8.548 -0.959 1007 HB2 ALA 58 HB2 ALA 58 5.663 9.274 0.514 1008 HB3 ALA 58 HB3 ALA 58 6.437 7.849 -0.180 1009 H LEU 59 HN LEU 59 8.638 7.913 -1.625 1010 HA LEU 59 HA LEU 59 7.966 7.593 -4.477 1011 HB2 LEU 59 HB2 LEU 59 10.014 9.036 -3.993 1012 HB3 LEU 59 HB1 LEU 59 10.782 7.580 -3.398 1013 HG LEU 59 HG LEU 59 9.687 7.708 -6.196 1014 HD11 LEU 59 HD11 LEU 59 11.905 8.383 -6.962 1015 HD12 LEU 59 HD12 LEU 59 12.435 8.559 -5.289 1016 HD13 LEU 59 HD13 LEU 59 11.182 9.620 -5.934 1017 HD21 LEU 59 HD21 LEU 59 10.288 5.509 -5.352 1018 HD22 LEU 59 HD22 LEU 59 11.883 6.103 -4.889 1019 HD23 LEU 59 HD23 LEU 59 11.433 6.021 -6.591 1020 H VAL 60 HN VAL 60 7.609 5.564 -5.043 1021 HA VAL 60 HA VAL 60 8.256 3.418 -3.155 1022 HB VAL 60 HB VAL 60 6.481 3.359 -5.603 1023 HG11 VAL 60 HG11 VAL 60 5.622 1.269 -4.655 1024 HG12 VAL 60 HG12 VAL 60 6.821 1.370 -3.365 1025 HG13 VAL 60 HG13 VAL 60 7.340 1.166 -5.039 1026 HG21 VAL 60 HG21 VAL 60 5.588 4.869 -3.923 1027 HG22 VAL 60 HG22 VAL 60 5.745 3.618 -2.690 1028 HG23 VAL 60 HG23 VAL 60 4.609 3.405 -4.023 1029 H ILE 61 HN ILE 61 10.003 2.217 -3.507 1030 HA ILE 61 HA ILE 61 11.116 2.089 -6.227 1031 HB ILE 61 HB ILE 61 12.433 1.318 -3.614 1032 HG12 ILE 61 HG12 ILE 61 12.828 3.789 -5.319 1033 HG13 ILE 61 HG11 ILE 61 11.979 3.748 -3.778 1034 HG21 ILE 61 HG21 ILE 61 14.504 1.293 -4.942 1035 HG22 ILE 61 HG22 ILE 61 13.559 1.610 -6.397 1036 HG23 ILE 61 HG23 ILE 61 13.335 0.100 -5.512 1037 HD11 ILE 61 HD11 ILE 61 14.893 3.131 -4.206 1038 HD12 ILE 61 HD12 ILE 61 14.045 3.086 -2.660 1039 HD13 ILE 61 HD13 ILE 61 14.228 4.614 -3.522 1040 H ASP 62 HN ASP 62 10.353 0.410 -7.320 1041 HA ASP 62 HA ASP 62 9.955 -1.722 -7.977 1042 HB2 ASP 62 HB2 ASP 62 11.728 -2.151 -5.668 1043 HB3 ASP 62 HB1 ASP 62 10.682 -3.514 -6.053 1044 H GLY 63 HN GLY 63 9.268 -1.261 -4.560 1045 HA2 GLY 63 HA2 GLY 63 6.498 -1.828 -4.842 1046 HA3 GLY 63 HA1 GLY 63 7.349 -3.217 -4.181 1047 H ALA 64 HN ALA 64 9.321 -1.449 -2.815 1048 HA ALA 64 HA ALA 64 7.746 -0.961 -0.435 1049 HB1 ALA 64 HB1 ALA 64 9.915 -2.073 -0.259 1050 HB2 ALA 64 HB2 ALA 64 9.893 -0.563 0.650 1051 HB3 ALA 64 HB3 ALA 64 10.706 -0.639 -0.914 1052 H ALA 65 HN ALA 65 6.965 0.939 0.166 1053 HA ALA 65 HA ALA 65 7.587 3.294 -1.422 1054 HB1 ALA 65 HB1 ALA 65 5.699 4.314 -0.261 1055 HB2 ALA 65 HB2 ALA 65 5.566 2.899 0.783 1056 HB3 ALA 65 HB3 ALA 65 5.254 2.753 -0.948 1057 H PHE 66 HN PHE 66 8.957 4.821 -0.819 1058 HA PHE 66 HA PHE 66 9.606 5.083 2.045 1059 HB2 PHE 66 HB2 PHE 66 11.356 5.672 -0.355 1060 HB3 PHE 66 HB1 PHE 66 11.796 6.001 1.318 1061 HD1 PHE 66 HD1 PHE 66 12.085 4.093 2.901 1062 HD2 PHE 66 HD2 PHE 66 11.624 3.528 -1.292 1063 HE1 PHE 66 HE1 PHE 66 13.017 1.824 3.108 1064 HE2 PHE 66 HE2 PHE 66 12.555 1.259 -1.092 1065 HZ PHE 66 HZ PHE 66 13.251 0.404 1.110 1066 H HIS 67 HN HIS 67 8.768 6.865 2.898 1067 HA HIS 67 HA HIS 67 7.723 8.969 1.250 1068 HB2 HIS 67 HB2 HIS 67 8.009 8.808 4.263 1069 HB3 HIS 67 HB1 HIS 67 7.077 10.020 3.391 1070 HD1 HIS 67 HD1 HIS 67 6.922 6.494 4.598 1071 HD2 HIS 67 HD2 HIS 67 4.667 9.090 2.262 1072 HE1 HIS 67 HE1 HIS 67 4.643 5.422 4.339 1073 H ILE 68 HN ILE 68 8.733 10.784 0.620 1074 HA ILE 68 HA ILE 68 11.397 11.303 1.778 1075 HB ILE 68 HB ILE 68 10.442 11.882 -1.033 1076 HG12 ILE 68 HG12 ILE 68 12.473 9.890 0.003 1077 HG13 ILE 68 HG11 ILE 68 10.869 9.493 -0.604 1078 HG21 ILE 68 HG21 ILE 68 12.757 12.564 -1.468 1079 HG22 ILE 68 HG22 ILE 68 13.140 12.335 0.238 1080 HG23 ILE 68 HG23 ILE 68 11.995 13.585 -0.247 1081 HD11 ILE 68 HD11 ILE 68 12.560 9.031 -2.267 1082 HD12 ILE 68 HD12 ILE 68 13.121 10.701 -2.192 1083 HD13 ILE 68 HD13 ILE 68 11.509 10.339 -2.809 1084 H ASN 69 HN ASN 69 11.128 12.876 3.199 1085 HA ASN 69 HA ASN 69 10.407 14.745 4.248 1086 HB2 ASN 69 HB2 ASN 69 10.295 15.701 1.396 1087 HB3 ASN 69 HB1 ASN 69 9.744 16.730 2.715 1088 HD21 ASN 69 HD21 ASN 69 11.962 17.146 0.904 1089 HD22 ASN 69 HD22 ASN 69 13.381 17.270 1.889 1090 H PHE 70 HN PHE 70 8.658 14.186 5.324 1091 HA PHE 70 HA PHE 70 6.377 13.010 4.430 1092 HB2 PHE 70 HB2 PHE 70 6.988 13.188 6.807 1093 HB3 PHE 70 HB1 PHE 70 6.585 14.900 6.784 1094 HD1 PHE 70 HD1 PHE 70 5.180 11.499 6.479 1095 HD2 PHE 70 HD2 PHE 70 4.359 15.635 7.053 1096 HE1 PHE 70 HE1 PHE 70 2.858 10.952 7.077 1097 HE2 PHE 70 HE2 PHE 70 2.035 15.095 7.653 1098 HZ PHE 70 HZ PHE 70 1.282 12.751 7.665 1099 H GLY 71 HN GLY 71 5.207 13.698 2.784 1100 HA2 GLY 71 HA2 GLY 71 4.630 16.482 2.371 1101 HA3 GLY 71 HA1 GLY 71 4.054 15.137 1.396 1102 H ALA 72 HN ALA 72 2.162 14.023 2.020 1103 HA ALA 72 HA ALA 72 0.631 15.319 4.171 1104 HB1 ALA 72 HB1 ALA 72 -1.328 15.693 2.795 1105 HB2 ALA 72 HB2 ALA 72 -0.475 15.077 1.380 1106 HB3 ALA 72 HB3 ALA 72 0.058 16.572 2.148 1107 H GLY 73 HN GLY 73 -0.583 13.941 5.322 1108 HA2 GLY 73 HA2 GLY 73 -0.413 11.179 5.026 1109 HA3 GLY 73 HA1 GLY 73 -1.649 12.008 5.961 1110 H ILE 74 HN ILE 74 -1.692 9.612 4.122 1111 HA ILE 74 HA ILE 74 -2.956 10.246 1.707 1112 HB ILE 74 HB ILE 74 -1.950 8.042 2.247 1113 HG12 ILE 74 HG12 ILE 74 -3.693 6.668 1.109 1114 HG13 ILE 74 HG11 ILE 74 -4.821 8.007 1.301 1115 HG21 ILE 74 HG21 ILE 74 -3.266 6.376 3.465 1116 HG22 ILE 74 HG22 ILE 74 -4.456 7.615 3.861 1117 HG23 ILE 74 HG23 ILE 74 -2.813 7.738 4.490 1118 HD11 ILE 74 HD11 ILE 74 -3.871 7.956 -0.934 1119 HD12 ILE 74 HD12 ILE 74 -2.248 8.084 -0.256 1120 HD13 ILE 74 HD13 ILE 74 -3.387 9.417 -0.073 1121 H ASP 75 HN ASP 75 -4.226 9.984 4.934 1122 HA ASP 75 HA ASP 75 -6.978 9.822 4.142 1123 HB2 ASP 75 HB2 ASP 75 -5.732 10.489 6.817 1124 HB3 ASP 75 HB1 ASP 75 -7.447 10.193 6.546 1125 H ASP 76 HN ASP 76 -4.685 12.327 4.543 1126 HA ASP 76 HA ASP 76 -6.490 14.456 5.146 1127 HB2 ASP 76 HB2 ASP 76 -4.097 14.597 5.676 1128 HB3 ASP 76 HB1 ASP 76 -3.701 14.519 3.964 1129 H LEU 77 HN LEU 77 -5.370 12.911 2.249 1130 HA LEU 77 HA LEU 77 -6.329 14.931 0.446 1131 HB2 LEU 77 HB2 LEU 77 -5.633 12.043 -0.098 1132 HB3 LEU 77 HB1 LEU 77 -5.860 13.294 -1.305 1133 HG LEU 77 HG LEU 77 -3.647 13.194 0.744 1134 HD11 LEU 77 HD11 LEU 77 -3.396 11.544 -1.021 1135 HD12 LEU 77 HD12 LEU 77 -2.212 12.837 -1.202 1136 HD13 LEU 77 HD13 LEU 77 -3.636 12.793 -2.242 1137 HD21 LEU 77 HD21 LEU 77 -4.310 15.491 0.256 1138 HD22 LEU 77 HD22 LEU 77 -4.170 15.174 -1.472 1139 HD23 LEU 77 HD23 LEU 77 -2.735 15.125 -0.448 1140 H LYS 78 HN LYS 78 -7.643 12.172 2.047 1141 HA LYS 78 HA LYS 78 -9.892 11.775 0.325 1142 HB2 LYS 78 HB2 LYS 78 -9.596 11.004 3.237 1143 HB3 LYS 78 HB1 LYS 78 -10.739 10.331 2.084 1144 HG2 LYS 78 HG2 LYS 78 -8.979 9.270 0.861 1145 HG3 LYS 78 HG1 LYS 78 -7.751 10.083 1.836 1146 HD2 LYS 78 HD2 LYS 78 -8.674 8.920 3.839 1147 HD3 LYS 78 HD1 LYS 78 -9.741 8.014 2.763 1148 HE2 LYS 78 HE2 LYS 78 -7.838 7.049 1.631 1149 HE3 LYS 78 HE1 LYS 78 -6.730 8.033 2.586 1150 HZ1 LYS 78 HZ1 LYS 78 -8.531 5.926 3.648 1151 HZ2 LYS 78 HZ2 LYS 78 -7.489 6.885 4.578 1152 HZ3 LYS 78 HZ3 LYS 78 -6.854 5.789 3.447 1153 H GLY 79 HN GLY 79 -9.413 13.279 3.494 1154 HA2 GLY 79 HA2 GLY 79 -10.623 15.557 3.543 1155 HA3 GLY 79 HA1 GLY 79 -12.048 14.558 3.267 1156 H SER 80 HN SER 80 -12.742 15.523 5.334 1157 HA SER 80 HA SER 80 -12.109 13.659 7.456 1158 HB2 SER 80 HB2 SER 80 -11.838 16.646 7.902 1159 HB3 SER 80 HB1 SER 80 -11.663 15.391 9.129 1160 HG SER 80 HG SER 80 -10.029 14.733 7.185 Start of MODEL 16 1 H1 VAL 1 HT1 VAL 1 32.642 17.642 -11.870 2 H2 VAL 1 HT2 VAL 1 32.477 16.326 -10.813 3 H3 VAL 1 HT3 VAL 1 31.411 17.640 -10.701 4 HA VAL 1 HA VAL 1 30.590 17.157 -12.934 5 HB VAL 1 HB VAL 1 31.047 14.963 -13.930 6 HG11 VAL 1 HG11 VAL 1 32.310 16.886 -14.699 7 HG12 VAL 1 HG12 VAL 1 33.306 15.431 -14.752 8 HG13 VAL 1 HG13 VAL 1 33.527 16.607 -13.455 9 HG21 VAL 1 HG21 VAL 1 33.153 14.690 -11.785 10 HG22 VAL 1 HG22 VAL 1 32.940 13.608 -13.161 11 HG23 VAL 1 HG23 VAL 1 31.683 13.725 -11.931 12 H ALA 2 HN ALA 2 31.104 15.328 -10.008 13 HA ALA 2 HA ALA 2 28.341 14.340 -10.163 14 HB1 ALA 2 HB1 ALA 2 30.562 13.490 -8.302 15 HB2 ALA 2 HB2 ALA 2 30.054 12.626 -9.754 16 HB3 ALA 2 HB3 ALA 2 28.948 12.784 -8.390 17 H SER 3 HN SER 3 26.831 15.161 -8.840 18 HA SER 3 HA SER 3 27.494 17.516 -7.347 19 HB2 SER 3 HB2 SER 3 24.837 16.080 -7.466 20 HB3 SER 3 HB1 SER 3 25.123 17.770 -7.046 21 HG SER 3 HG SER 3 24.429 17.602 -9.197 22 H LYS 4 HN LYS 4 27.203 17.865 -5.141 23 HA LYS 4 HA LYS 4 28.047 15.627 -3.539 24 HB2 LYS 4 HB2 LYS 4 28.886 18.036 -3.422 25 HB3 LYS 4 HB1 LYS 4 27.386 18.413 -2.594 26 HG2 LYS 4 HG2 LYS 4 27.961 16.938 -0.780 27 HG3 LYS 4 HG1 LYS 4 29.412 16.402 -1.634 28 HD2 LYS 4 HD2 LYS 4 30.196 18.777 -1.621 29 HD3 LYS 4 HD1 LYS 4 28.824 19.168 -0.585 30 HE2 LYS 4 HE2 LYS 4 30.987 17.172 0.067 31 HE3 LYS 4 HE1 LYS 4 30.917 18.825 0.672 32 HZ1 LYS 4 HZ1 LYS 4 28.738 18.240 1.675 33 HZ2 LYS 4 HZ2 LYS 4 30.050 17.393 2.327 34 HZ3 LYS 4 HZ3 LYS 4 29.009 16.619 1.229 35 H ALA 5 HN ALA 5 26.655 14.239 -2.645 36 HA ALA 5 HA ALA 5 24.090 15.284 -1.635 37 HB1 ALA 5 HB1 ALA 5 24.531 12.593 -2.932 38 HB2 ALA 5 HB2 ALA 5 23.726 13.975 -3.679 39 HB3 ALA 5 HB3 ALA 5 23.012 13.195 -2.269 40 H ILE 6 HN ILE 6 24.138 15.197 0.514 41 HA ILE 6 HA ILE 6 25.902 13.246 1.803 42 HB ILE 6 HB ILE 6 24.449 15.402 3.294 43 HG12 ILE 6 HG12 ILE 6 27.076 15.787 1.838 44 HG13 ILE 6 HG11 ILE 6 25.536 16.452 1.300 45 HG21 ILE 6 HG21 ILE 6 27.140 14.082 3.632 46 HG22 ILE 6 HG22 ILE 6 25.677 13.704 4.542 47 HG23 ILE 6 HG23 ILE 6 26.441 15.285 4.716 48 HD11 ILE 6 HD11 ILE 6 26.914 17.090 3.898 49 HD12 ILE 6 HD12 ILE 6 25.388 17.773 3.335 50 HD13 ILE 6 HD13 ILE 6 26.882 18.112 2.461 51 H PHE 7 HN PHE 7 25.127 11.538 2.876 52 HA PHE 7 HA PHE 7 22.237 11.451 3.423 53 HB2 PHE 7 HB2 PHE 7 23.153 9.700 1.897 54 HB3 PHE 7 HB1 PHE 7 24.184 9.141 3.209 55 HD1 PHE 7 HD1 PHE 7 20.636 9.627 2.240 56 HD2 PHE 7 HD2 PHE 7 23.396 7.584 4.755 57 HE1 PHE 7 HE1 PHE 7 18.832 8.142 3.009 58 HE2 PHE 7 HE2 PHE 7 21.597 6.097 5.528 59 HZ PHE 7 HZ PHE 7 19.312 6.374 4.655 60 H TYR 8 HN TYR 8 22.041 12.301 5.417 61 HA TYR 8 HA TYR 8 23.882 11.522 7.540 62 HB2 TYR 8 HB2 TYR 8 21.602 13.497 7.421 63 HB3 TYR 8 HB1 TYR 8 22.435 13.100 8.918 64 HD1 TYR 8 HD1 TYR 8 24.966 13.518 8.997 65 HD2 TYR 8 HD2 TYR 8 22.422 15.175 6.021 66 HE1 TYR 8 HE1 TYR 8 26.639 15.261 8.548 67 HE2 TYR 8 HE2 TYR 8 24.089 16.922 5.559 68 HH TYR 8 HH TYR 8 27.276 16.785 6.739 69 H HIS 9 HN HIS 9 23.485 9.860 8.837 70 HA HIS 9 HA HIS 9 20.714 9.274 9.573 71 HB2 HIS 9 HB2 HIS 9 20.998 6.874 9.234 72 HB3 HIS 9 HB1 HIS 9 21.238 7.736 7.720 73 HD2 HIS 9 HD2 HIS 9 23.909 7.809 6.798 74 HE1 HIS 9 HE1 HIS 9 25.158 4.712 9.391 75 HE2 HIS 9 HE2 HIS 9 25.662 5.955 7.247 76 H ALA 10 HN ALA 10 20.739 7.528 11.382 77 HA ALA 10 HA ALA 10 23.002 8.101 13.180 78 HB1 ALA 10 HB1 ALA 10 21.024 9.368 13.856 79 HB2 ALA 10 HB2 ALA 10 21.441 8.144 15.055 80 HB3 ALA 10 HB3 ALA 10 20.095 7.872 13.949 81 H GLY 11 HN GLY 11 22.090 5.771 11.358 82 HA2 GLY 11 HA2 GLY 11 22.507 3.505 11.441 83 HA3 GLY 11 HA1 GLY 11 23.006 3.704 13.113 84 H CYS 12 HN CYS 12 19.908 4.903 12.290 85 HA CYS 12 HA CYS 12 18.620 2.977 13.991 86 HB2 CYS 12 HB2 CYS 12 17.296 5.046 12.229 87 HB3 CYS 12 HB1 CYS 12 16.647 4.302 13.685 88 HG CYS 12 HG CYS 12 18.924 5.538 15.175 89 HA PRO 13 HA PRO 13 17.458 -0.072 10.984 90 HB2 PRO 13 HB2 PRO 13 14.812 -0.469 11.759 91 HB3 PRO 13 HB1 PRO 13 16.216 -1.286 12.447 92 HG2 PRO 13 HG2 PRO 13 14.708 1.077 13.466 93 HG3 PRO 13 HG1 PRO 13 15.435 -0.265 14.367 94 HD2 PRO 13 HD2 PRO 13 16.600 2.143 14.279 95 HD3 PRO 13 HD1 PRO 13 17.566 0.653 14.257 96 H VAL 14 HN VAL 14 15.425 2.738 11.474 97 HA VAL 14 HA VAL 14 13.856 2.498 9.127 98 HB VAL 14 HB VAL 14 14.600 5.047 10.570 99 HG11 VAL 14 HG11 VAL 14 12.213 4.346 8.867 100 HG12 VAL 14 HG12 VAL 14 13.545 5.407 8.409 101 HG13 VAL 14 HG13 VAL 14 12.459 5.872 9.718 102 HG21 VAL 14 HG21 VAL 14 12.559 4.717 11.889 103 HG22 VAL 14 HG22 VAL 14 13.735 3.432 12.167 104 HG23 VAL 14 HG23 VAL 14 12.335 3.139 11.135 105 H CYS 15 HN CYS 15 17.037 3.765 9.792 106 HA CYS 15 HA CYS 15 17.301 5.293 7.394 107 HB2 CYS 15 HB2 CYS 15 19.485 4.200 9.181 108 HB3 CYS 15 HB1 CYS 15 19.629 5.530 8.035 109 HG CYS 15 HG CYS 15 17.561 6.981 9.571 110 H VAL 16 HN VAL 16 17.795 1.984 8.285 111 HA VAL 16 HA VAL 16 19.661 1.161 6.386 112 HB VAL 16 HB VAL 16 17.362 -0.444 7.518 113 HG11 VAL 16 HG11 VAL 16 19.933 -1.351 6.228 114 HG12 VAL 16 HG12 VAL 16 18.313 -1.507 5.548 115 HG13 VAL 16 HG13 VAL 16 18.749 -2.402 7.004 116 HG21 VAL 16 HG21 VAL 16 20.203 -0.129 8.478 117 HG22 VAL 16 HG22 VAL 16 19.018 -1.251 9.144 118 HG23 VAL 16 HG23 VAL 16 18.756 0.488 9.273 119 H SER 17 HN SER 17 16.107 1.141 6.181 120 HA SER 17 HA SER 17 15.899 -0.030 3.659 121 HB2 SER 17 HB2 SER 17 14.011 1.995 4.878 122 HB3 SER 17 HB1 SER 17 13.620 0.785 3.656 123 HG SER 17 HG SER 17 13.463 -0.688 5.147 124 H ALA 18 HN ALA 18 16.207 3.369 4.586 125 HA ALA 18 HA ALA 18 15.806 4.442 1.994 126 HB1 ALA 18 HB1 ALA 18 16.716 6.507 2.920 127 HB2 ALA 18 HB2 ALA 18 17.284 5.628 4.339 128 HB3 ALA 18 HB3 ALA 18 15.554 5.778 4.029 129 H GLU 19 HN GLU 19 18.703 3.596 3.841 130 HA GLU 19 HA GLU 19 20.573 4.460 1.901 131 HB2 GLU 19 HB2 GLU 19 21.073 4.042 4.311 132 HB3 GLU 19 HB1 GLU 19 20.909 2.318 4.009 133 HG2 GLU 19 HG2 GLU 19 22.757 2.529 2.338 134 HG3 GLU 19 HG1 GLU 19 22.987 4.185 2.901 135 H GLN 20 HN GLN 20 19.032 1.360 2.567 136 HA GLN 20 HA GLN 20 20.561 -0.259 0.890 137 HB2 GLN 20 HB2 GLN 20 18.999 -1.103 2.595 138 HB3 GLN 20 HB1 GLN 20 17.644 -0.553 1.619 139 HG2 GLN 20 HG2 GLN 20 18.490 -2.073 -0.199 140 HG3 GLN 20 HG1 GLN 20 19.600 -2.743 0.996 141 HE21 GLN 20 HE21 GLN 20 17.462 -4.058 -0.438 142 HE22 GLN 20 HE22 GLN 20 16.381 -4.679 0.768 143 H ALA 21 HN ALA 21 17.387 1.225 0.191 144 HA ALA 21 HA ALA 21 17.676 0.368 -2.576 145 HB1 ALA 21 HB1 ALA 21 15.345 1.004 -2.834 146 HB2 ALA 21 HB2 ALA 21 15.336 1.664 -1.198 147 HB3 ALA 21 HB3 ALA 21 15.565 -0.066 -1.449 148 H VAL 22 HN VAL 22 16.864 3.425 -0.894 149 HA VAL 22 HA VAL 22 16.803 4.931 -3.280 150 HB VAL 22 HB VAL 22 17.283 6.028 -0.508 151 HG11 VAL 22 HG11 VAL 22 17.661 7.636 -2.291 152 HG12 VAL 22 HG12 VAL 22 16.195 8.037 -1.396 153 HG13 VAL 22 HG13 VAL 22 16.078 7.271 -2.979 154 HG21 VAL 22 HG21 VAL 22 14.666 5.413 -1.880 155 HG22 VAL 22 HG22 VAL 22 14.847 6.261 -0.344 156 HG23 VAL 22 HG23 VAL 22 15.334 4.572 -0.482 157 H ALA 23 HN ALA 23 19.320 4.657 -0.766 158 HA ALA 23 HA ALA 23 21.084 6.480 -2.039 159 HB1 ALA 23 HB1 ALA 23 21.196 6.010 0.356 160 HB2 ALA 23 HB2 ALA 23 22.747 5.730 -0.434 161 HB3 ALA 23 HB3 ALA 23 21.722 4.364 0.008 162 H ASN 24 HN ASN 24 20.322 3.229 -2.716 163 HA ASN 24 HA ASN 24 22.783 2.938 -4.298 164 HB2 ASN 24 HB2 ASN 24 20.812 0.908 -3.266 165 HB3 ASN 24 HB1 ASN 24 21.941 0.521 -4.561 166 HD21 ASN 24 HD21 ASN 24 21.580 1.206 -1.181 167 HD22 ASN 24 HD22 ASN 24 23.188 0.765 -0.713 168 H ALA 25 HN ALA 25 19.753 4.071 -4.623 169 HA ALA 25 HA ALA 25 19.364 3.130 -7.359 170 HB1 ALA 25 HB1 ALA 25 17.278 4.395 -7.302 171 HB2 ALA 25 HB2 ALA 25 17.701 5.043 -5.717 172 HB3 ALA 25 HB3 ALA 25 17.392 3.318 -5.909 173 H ILE 26 HN ILE 26 20.394 5.897 -5.528 174 HA ILE 26 HA ILE 26 20.573 7.772 -7.637 175 HB ILE 26 HB ILE 26 22.227 7.548 -5.112 176 HG12 ILE 26 HG12 ILE 26 19.801 9.256 -5.720 177 HG13 ILE 26 HG11 ILE 26 19.794 7.801 -4.726 178 HG21 ILE 26 HG21 ILE 26 22.717 9.944 -5.477 179 HG22 ILE 26 HG22 ILE 26 21.927 9.838 -7.050 180 HG23 ILE 26 HG23 ILE 26 23.387 8.904 -6.733 181 HD11 ILE 26 HD11 ILE 26 21.297 8.889 -3.136 182 HD12 ILE 26 HD12 ILE 26 19.801 9.796 -3.354 183 HD13 ILE 26 HD13 ILE 26 21.286 10.346 -4.131 184 H ASP 27 HN ASP 27 21.877 7.717 -9.357 185 HA ASP 27 HA ASP 27 23.948 5.706 -9.487 186 HB2 ASP 27 HB2 ASP 27 22.318 6.427 -11.386 187 HB3 ASP 27 HB1 ASP 27 23.456 7.749 -11.633 188 HA PRO 28 HA PRO 28 27.163 8.327 -7.913 189 HB2 PRO 28 HB2 PRO 28 28.882 6.472 -9.474 190 HB3 PRO 28 HB1 PRO 28 28.966 6.922 -7.767 191 HG2 PRO 28 HG2 PRO 28 28.028 4.542 -8.494 192 HG3 PRO 28 HG1 PRO 28 27.286 5.442 -7.158 193 HD2 PRO 28 HD2 PRO 28 26.331 5.088 -9.969 194 HD3 PRO 28 HD1 PRO 28 25.402 5.122 -8.456 195 H SER 29 HN SER 29 26.690 7.659 -11.302 196 HA SER 29 HA SER 29 28.731 9.417 -12.251 197 HB2 SER 29 HB2 SER 29 27.559 9.206 -14.437 198 HB3 SER 29 HB1 SER 29 27.892 7.645 -13.689 199 HG SER 29 HG SER 29 25.784 7.384 -13.225 200 H LYS 30 HN LYS 30 25.772 9.933 -10.756 201 HA LYS 30 HA LYS 30 25.492 12.615 -11.936 202 HB2 LYS 30 HB2 LYS 30 23.484 11.066 -10.293 203 HB3 LYS 30 HB1 LYS 30 23.210 12.601 -11.104 204 HG2 LYS 30 HG2 LYS 30 23.425 11.554 -13.259 205 HG3 LYS 30 HG1 LYS 30 23.851 10.016 -12.504 206 HD2 LYS 30 HD2 LYS 30 21.642 10.010 -11.381 207 HD3 LYS 30 HD1 LYS 30 21.226 11.478 -12.266 208 HE2 LYS 30 HE2 LYS 30 22.018 8.887 -13.579 209 HE3 LYS 30 HE1 LYS 30 20.350 9.356 -13.260 210 HZ1 LYS 30 HZ1 LYS 30 20.644 11.286 -14.667 211 HZ2 LYS 30 HZ2 LYS 30 21.021 9.871 -15.526 212 HZ3 LYS 30 HZ3 LYS 30 22.266 10.875 -14.954 213 H TYR 31 HN TYR 31 25.341 10.878 -8.834 214 HA TYR 31 HA TYR 31 26.127 13.361 -7.469 215 HB2 TYR 31 HB2 TYR 31 23.907 11.472 -6.660 216 HB3 TYR 31 HB1 TYR 31 24.566 12.714 -5.604 217 HD1 TYR 31 HD2 TYR 31 22.747 12.178 -8.796 218 HD2 TYR 31 HD1 TYR 31 23.819 14.940 -5.747 219 HE1 TYR 31 HE2 TYR 31 21.162 13.810 -9.726 220 HE2 TYR 31 HE1 TYR 31 22.235 16.577 -6.667 221 HH TYR 31 HH TYR 31 19.974 15.754 -9.168 222 H THR 32 HN THR 32 27.351 13.123 -5.614 223 HA THR 32 HA THR 32 28.480 10.452 -5.142 224 HB THR 32 HB THR 32 29.395 13.118 -4.026 225 HG1 THR 32 HG1 THR 32 29.661 12.100 -6.494 226 HG21 THR 32 HG21 THR 32 31.477 11.912 -3.527 227 HG22 THR 32 HG22 THR 32 30.761 10.422 -4.143 228 HG23 THR 32 HG23 THR 32 30.101 11.185 -2.697 229 H VAL 33 HN VAL 33 27.383 9.313 -3.651 230 HA VAL 33 HA VAL 33 25.761 10.663 -1.668 231 HB VAL 33 HB VAL 33 26.174 7.691 -2.040 232 HG11 VAL 33 HG11 VAL 33 25.277 8.285 0.143 233 HG12 VAL 33 HG12 VAL 33 24.043 7.494 -0.839 234 HG13 VAL 33 HG13 VAL 33 24.011 9.245 -0.622 235 HG21 VAL 33 HG21 VAL 33 24.068 7.720 -3.293 236 HG22 VAL 33 HG22 VAL 33 25.314 8.684 -4.089 237 HG23 VAL 33 HG23 VAL 33 24.029 9.480 -3.179 238 H GLU 34 HN GLU 34 26.862 11.485 -0.010 239 HA GLU 34 HA GLU 34 29.134 10.072 1.135 240 HB2 GLU 34 HB2 GLU 34 27.860 12.684 1.977 241 HB3 GLU 34 HB1 GLU 34 29.416 12.065 2.510 242 HG2 GLU 34 HG2 GLU 34 30.311 12.288 0.280 243 HG3 GLU 34 HG1 GLU 34 28.737 12.800 -0.326 244 H ILE 35 HN ILE 35 28.607 8.417 2.432 245 HA ILE 35 HA ILE 35 26.205 8.414 4.025 246 HB ILE 35 HB ILE 35 28.531 6.478 4.033 247 HG12 ILE 35 HG12 ILE 35 27.433 6.584 1.843 248 HG13 ILE 35 HG11 ILE 35 27.098 5.049 2.638 249 HG21 ILE 35 HG21 ILE 35 27.243 6.362 6.092 250 HG22 ILE 35 HG22 ILE 35 26.975 4.922 5.110 251 HG23 ILE 35 HG23 ILE 35 25.752 6.190 5.166 252 HD11 ILE 35 HD11 ILE 35 25.226 7.402 2.479 253 HD12 ILE 35 HD12 ILE 35 24.889 5.869 3.281 254 HD13 ILE 35 HD13 ILE 35 25.121 5.918 1.534 255 H VAL 36 HN VAL 36 26.117 9.659 5.804 256 HA VAL 36 HA VAL 36 28.546 9.840 7.471 257 HB VAL 36 HB VAL 36 26.433 11.974 7.104 258 HG11 VAL 36 HG11 VAL 36 27.905 13.384 8.448 259 HG12 VAL 36 HG12 VAL 36 29.012 12.029 8.672 260 HG13 VAL 36 HG13 VAL 36 27.388 11.964 9.355 261 HG21 VAL 36 HG21 VAL 36 29.288 11.855 6.136 262 HG22 VAL 36 HG22 VAL 36 28.217 13.251 6.000 263 HG23 VAL 36 HG23 VAL 36 27.840 11.762 5.133 264 H HIS 37 HN HIS 37 28.302 8.764 9.285 265 HA HIS 37 HA HIS 37 25.682 8.348 10.470 266 HB2 HIS 37 HB2 HIS 37 27.422 6.533 10.311 267 HB3 HIS 37 HB1 HIS 37 28.387 7.431 11.472 268 HD2 HIS 37 HD2 HIS 37 25.248 5.162 11.333 269 HE1 HIS 37 HE1 HIS 37 26.143 6.018 15.376 270 HE2 HIS 37 HE2 HIS 37 24.854 4.499 13.813 271 H LEU 38 HN LEU 38 24.862 9.769 11.859 272 HA LEU 38 HA LEU 38 26.476 11.908 12.892 273 HB2 LEU 38 HB2 LEU 38 23.566 11.217 13.225 274 HB3 LEU 38 HB1 LEU 38 24.309 12.623 13.967 275 HG LEU 38 HG LEU 38 24.109 12.090 11.001 276 HD11 LEU 38 HD11 LEU 38 22.720 14.114 12.750 277 HD12 LEU 38 HD12 LEU 38 21.973 12.688 12.029 278 HD13 LEU 38 HD13 LEU 38 22.577 13.985 10.997 279 HD21 LEU 38 HD21 LEU 38 26.158 13.285 11.557 280 HD22 LEU 38 HD22 LEU 38 25.234 14.453 12.501 281 HD23 LEU 38 HD23 LEU 38 25.010 14.357 10.754 282 H GLY 39 HN GLY 39 25.357 8.877 14.127 283 HA2 GLY 39 HA2 GLY 39 25.625 9.613 16.910 284 HA3 GLY 39 HA1 GLY 39 25.341 7.997 16.278 285 H THR 40 HN THR 40 27.938 10.207 15.454 286 HA THR 40 HA THR 40 29.881 8.407 16.720 287 HB THR 40 HB THR 40 30.102 9.536 13.916 288 HG1 THR 40 HG1 THR 40 28.675 7.658 14.250 289 HG21 THR 40 HG21 THR 40 31.980 7.735 15.447 290 HG22 THR 40 HG22 THR 40 32.270 9.425 15.040 291 HG23 THR 40 HG23 THR 40 32.159 8.216 13.760 292 H ASP 41 HN ASP 41 29.178 11.571 15.315 293 HA ASP 41 HA ASP 41 31.246 12.769 17.021 294 HB2 ASP 41 HB2 ASP 41 32.250 12.581 14.830 295 HB3 ASP 41 HB1 ASP 41 30.816 13.256 14.066 296 H LYS 42 HN LYS 42 30.553 14.534 18.103 297 HA LYS 42 HA LYS 42 27.795 15.346 17.660 298 HB2 LYS 42 HB2 LYS 42 29.750 15.814 19.890 299 HB3 LYS 42 HB1 LYS 42 28.239 16.708 19.793 300 HG2 LYS 42 HG2 LYS 42 27.018 14.555 19.784 301 HG3 LYS 42 HG1 LYS 42 28.557 13.723 20.019 302 HD2 LYS 42 HD2 LYS 42 28.888 14.825 22.132 303 HD3 LYS 42 HD1 LYS 42 27.464 15.834 21.873 304 HE2 LYS 42 HE2 LYS 42 26.968 14.021 23.418 305 HE3 LYS 42 HE1 LYS 42 26.043 13.843 21.928 306 HZ1 LYS 42 HZ1 LYS 42 28.565 12.391 22.534 307 HZ2 LYS 42 HZ2 LYS 42 27.566 12.160 21.182 308 HZ3 LYS 42 HZ3 LYS 42 27.006 11.747 22.729 309 H ALA 43 HN ALA 43 30.658 16.378 16.425 310 HA ALA 43 HA ALA 43 30.055 19.212 16.505 311 HB1 ALA 43 HB1 ALA 43 32.392 18.479 16.441 312 HB2 ALA 43 HB2 ALA 43 31.987 19.472 15.040 313 HB3 ALA 43 HB3 ALA 43 32.110 17.721 14.874 314 H ARG 44 HN ARG 44 29.654 16.457 14.419 315 HA ARG 44 HA ARG 44 28.737 17.877 12.135 316 HB2 ARG 44 HB2 ARG 44 28.504 14.995 12.983 317 HB3 ARG 44 HB1 ARG 44 27.828 15.592 11.472 318 HG2 ARG 44 HG2 ARG 44 30.043 16.327 10.768 319 HG3 ARG 44 HG1 ARG 44 30.722 15.737 12.284 320 HD2 ARG 44 HD2 ARG 44 30.159 13.476 11.719 321 HD3 ARG 44 HD1 ARG 44 29.280 14.008 10.283 322 HE ARG 44 HE ARG 44 31.613 14.946 9.638 323 HH11 ARG 44 HH11 ARG 44 30.982 11.921 11.297 324 HH12 ARG 44 HH12 ARG 44 32.412 11.147 10.698 325 HH21 ARG 44 HH21 ARG 44 33.491 13.922 8.844 326 HH22 ARG 44 HH22 ARG 44 33.822 12.266 9.275 327 H ILE 45 HN ILE 45 27.297 17.319 15.124 328 HA ILE 45 HA ILE 45 24.581 17.126 14.429 329 HB ILE 45 HB ILE 45 25.818 18.529 16.809 330 HG12 ILE 45 HG12 ILE 45 26.432 16.163 16.700 331 HG13 ILE 45 HG11 ILE 45 25.302 16.442 18.021 332 HG21 ILE 45 HG21 ILE 45 22.980 17.601 16.372 333 HG22 ILE 45 HG22 ILE 45 23.531 19.274 16.443 334 HG23 ILE 45 HG23 ILE 45 23.627 18.253 17.878 335 HD11 ILE 45 HD11 ILE 45 24.628 15.278 15.328 336 HD12 ILE 45 HD12 ILE 45 23.484 15.570 16.639 337 HD13 ILE 45 HD13 ILE 45 24.781 14.392 16.845 338 H ALA 46 HN ALA 46 26.686 19.933 14.942 339 HA ALA 46 HA ALA 46 24.723 21.885 14.318 340 HB1 ALA 46 HB1 ALA 46 27.730 22.087 14.163 341 HB2 ALA 46 HB2 ALA 46 26.743 22.436 15.583 342 HB3 ALA 46 HB3 ALA 46 26.599 23.440 14.139 343 H GLU 47 HN GLU 47 27.161 20.172 12.449 344 HA GLU 47 HA GLU 47 26.926 21.572 10.037 345 HB2 GLU 47 HB2 GLU 47 27.655 18.678 10.527 346 HB3 GLU 47 HB1 GLU 47 27.898 19.533 9.009 347 HG2 GLU 47 HG2 GLU 47 29.459 21.036 10.035 348 HG3 GLU 47 HG1 GLU 47 29.128 20.357 11.627 349 H ALA 48 HN ALA 48 25.274 18.616 11.138 350 HA ALA 48 HA ALA 48 23.681 18.264 8.843 351 HB1 ALA 48 HB1 ALA 48 24.027 16.504 10.507 352 HB2 ALA 48 HB2 ALA 48 22.311 16.800 10.232 353 HB3 ALA 48 HB3 ALA 48 23.092 17.430 11.682 354 H GLU 49 HN GLU 49 23.039 19.918 11.913 355 HA GLU 49 HA GLU 49 20.425 20.763 11.418 356 HB2 GLU 49 HB2 GLU 49 21.545 20.927 13.603 357 HB3 GLU 49 HB1 GLU 49 22.620 22.160 12.965 358 HG2 GLU 49 HG2 GLU 49 20.714 23.652 12.639 359 HG3 GLU 49 HG1 GLU 49 19.638 22.411 13.283 360 H LYS 50 HN LYS 50 23.513 22.240 10.621 361 HA LYS 50 HA LYS 50 22.484 24.606 9.442 362 HB2 LYS 50 HB2 LYS 50 24.722 24.550 10.294 363 HB3 LYS 50 HB1 LYS 50 25.142 23.186 9.271 364 HG2 LYS 50 HG2 LYS 50 25.032 24.581 7.306 365 HG3 LYS 50 HG1 LYS 50 24.487 25.952 8.279 366 HD2 LYS 50 HD2 LYS 50 26.561 26.089 9.414 367 HD3 LYS 50 HD1 LYS 50 27.085 24.525 8.791 368 HE2 LYS 50 HE2 LYS 50 26.574 26.956 7.089 369 HE3 LYS 50 HE1 LYS 50 28.160 26.475 7.689 370 HZ1 LYS 50 HZ1 LYS 50 26.416 24.923 5.847 371 HZ2 LYS 50 HZ2 LYS 50 27.864 24.343 6.512 372 HZ3 LYS 50 HZ3 LYS 50 27.889 25.674 5.465 373 H ALA 51 HN ALA 51 23.050 21.379 8.258 374 HA ALA 51 HA ALA 51 22.905 22.103 5.473 375 HB1 ALA 51 HB1 ALA 51 24.221 20.173 6.190 376 HB2 ALA 51 HB2 ALA 51 22.955 19.698 5.057 377 HB3 ALA 51 HB3 ALA 51 22.756 19.389 6.781 378 H GLY 52 HN GLY 52 20.646 21.694 7.934 379 HA2 GLY 52 HA2 GLY 52 18.358 22.277 7.539 380 HA3 GLY 52 HA1 GLY 52 18.498 21.594 5.928 381 H VAL 53 HN VAL 53 19.971 19.642 8.231 382 HA VAL 53 HA VAL 53 18.001 17.594 7.894 383 HB VAL 53 HB VAL 53 20.453 17.680 9.662 384 HG11 VAL 53 HG11 VAL 53 20.228 15.235 9.772 385 HG12 VAL 53 HG12 VAL 53 18.699 15.346 8.901 386 HG13 VAL 53 HG13 VAL 53 18.851 16.058 10.506 387 HG21 VAL 53 HG21 VAL 53 20.986 17.849 7.299 388 HG22 VAL 53 HG22 VAL 53 19.991 16.434 6.955 389 HG23 VAL 53 HG23 VAL 53 21.457 16.268 7.923 390 H LYS 54 HN LYS 54 16.163 17.585 8.958 391 HA LYS 54 HA LYS 54 16.025 18.678 11.676 392 HB2 LYS 54 HB2 LYS 54 13.765 17.735 9.899 393 HB3 LYS 54 HB1 LYS 54 13.615 18.632 11.402 394 HG2 LYS 54 HG2 LYS 54 14.708 20.557 10.352 395 HG3 LYS 54 HG1 LYS 54 14.819 19.653 8.838 396 HD2 LYS 54 HD2 LYS 54 12.345 19.429 8.853 397 HD3 LYS 54 HD1 LYS 54 12.297 20.459 10.285 398 HE2 LYS 54 HE2 LYS 54 13.372 22.261 8.999 399 HE3 LYS 54 HE1 LYS 54 13.360 21.229 7.569 400 HZ1 LYS 54 HZ1 LYS 54 10.895 21.133 7.805 401 HZ2 LYS 54 HZ2 LYS 54 11.494 22.678 7.451 402 HZ3 LYS 54 HZ3 LYS 54 11.006 22.305 9.029 403 H SER 55 HN SER 55 15.959 15.743 9.870 404 HA SER 55 HA SER 55 15.912 14.170 12.291 405 HB2 SER 55 HB2 SER 55 13.772 13.789 10.177 406 HB3 SER 55 HB1 SER 55 14.029 12.751 11.581 407 HG SER 55 HG SER 55 13.806 15.362 12.288 408 H VAL 56 HN VAL 56 16.213 11.803 11.743 409 HA VAL 56 HA VAL 56 17.740 11.535 9.237 410 HB VAL 56 HB VAL 56 19.085 9.785 10.353 411 HG11 VAL 56 HG11 VAL 56 19.927 12.062 10.255 412 HG12 VAL 56 HG12 VAL 56 20.420 11.285 11.759 413 HG13 VAL 56 HG13 VAL 56 19.096 12.451 11.762 414 HG21 VAL 56 HG21 VAL 56 19.012 9.558 12.794 415 HG22 VAL 56 HG22 VAL 56 17.485 9.081 12.050 416 HG23 VAL 56 HG23 VAL 56 17.626 10.647 12.851 417 HA PRO 57 HA PRO 57 18.704 9.975 8.239 418 HB2 PRO 57 HB2 PRO 57 18.438 8.725 5.883 419 HB3 PRO 57 HB1 PRO 57 18.842 7.847 7.362 420 HG2 PRO 57 HG2 PRO 57 16.248 8.032 5.913 421 HG3 PRO 57 HG1 PRO 57 16.947 6.667 6.798 422 HD2 PRO 57 HD2 PRO 57 14.993 8.419 7.759 423 HD3 PRO 57 HD1 PRO 57 15.977 7.319 8.743 424 H ALA 58 HN ALA 58 19.285 11.572 6.834 425 HA ALA 58 HA ALA 58 17.146 12.793 5.214 426 HB1 ALA 58 HB1 ALA 58 17.499 14.141 7.215 427 HB2 ALA 58 HB2 ALA 58 18.034 15.005 5.773 428 HB3 ALA 58 HB3 ALA 58 19.219 14.257 6.845 429 H LEU 59 HN LEU 59 17.653 13.129 3.161 430 HA LEU 59 HA LEU 59 20.440 12.727 2.335 431 HB2 LEU 59 HB2 LEU 59 18.752 11.227 1.364 432 HB3 LEU 59 HB1 LEU 59 17.876 12.610 0.741 433 HG LEU 59 HG LEU 59 19.810 13.149 -0.711 434 HD11 LEU 59 HD11 LEU 59 20.904 10.535 0.320 435 HD12 LEU 59 HD12 LEU 59 21.581 12.137 0.613 436 HD13 LEU 59 HD13 LEU 59 21.566 11.471 -1.020 437 HD21 LEU 59 HD21 LEU 59 17.948 11.846 -1.572 438 HD22 LEU 59 HD22 LEU 59 18.698 10.360 -0.992 439 HD23 LEU 59 HD23 LEU 59 19.466 11.292 -2.277 440 H VAL 60 HN VAL 60 21.442 14.643 2.355 441 HA VAL 60 HA VAL 60 20.076 17.060 1.498 442 HB VAL 60 HB VAL 60 22.954 16.694 2.361 443 HG11 VAL 60 HG11 VAL 60 22.607 18.702 1.015 444 HG12 VAL 60 HG12 VAL 60 22.943 19.115 2.697 445 HG13 VAL 60 HG13 VAL 60 21.292 19.197 2.081 446 HG21 VAL 60 HG21 VAL 60 22.232 17.608 4.516 447 HG22 VAL 60 HG22 VAL 60 21.419 16.086 4.150 448 HG23 VAL 60 HG23 VAL 60 20.561 17.614 3.950 449 H ILE 61 HN ILE 61 19.746 17.009 -0.641 450 HA ILE 61 HA ILE 61 21.847 16.088 -2.430 451 HB ILE 61 HB ILE 61 19.020 16.972 -3.028 452 HG12 ILE 61 HG12 ILE 61 20.242 14.207 -2.890 453 HG13 ILE 61 HG11 ILE 61 19.161 14.906 -1.689 454 HG21 ILE 61 HG21 ILE 61 21.067 15.653 -4.807 455 HG22 ILE 61 HG22 ILE 61 20.484 17.312 -4.939 456 HG23 ILE 61 HG23 ILE 61 19.385 15.965 -5.235 457 HD11 ILE 61 HD11 ILE 61 17.384 15.012 -3.364 458 HD12 ILE 61 HD12 ILE 61 17.977 13.368 -3.129 459 HD13 ILE 61 HD13 ILE 61 18.470 14.288 -4.551 460 H ASP 62 HN ASP 62 23.382 17.620 -2.560 461 HA ASP 62 HA ASP 62 24.457 19.437 -3.370 462 HB2 ASP 62 HB2 ASP 62 23.059 18.807 -5.385 463 HB3 ASP 62 HB1 ASP 62 21.921 20.054 -4.893 464 H GLY 63 HN GLY 63 22.424 19.621 -1.052 465 HA2 GLY 63 HA2 GLY 63 22.853 21.617 0.398 466 HA3 GLY 63 HA1 GLY 63 22.328 22.572 -0.981 467 H ALA 64 HN ALA 64 20.244 20.400 -1.515 468 HA ALA 64 HA ALA 64 18.249 21.532 0.300 469 HB1 ALA 64 HB1 ALA 64 16.596 20.646 -1.256 470 HB2 ALA 64 HB2 ALA 64 17.875 19.860 -2.182 471 HB3 ALA 64 HB3 ALA 64 17.797 21.619 -2.105 472 H ALA 65 HN ALA 65 17.455 20.413 1.963 473 HA ALA 65 HA ALA 65 18.432 17.713 2.389 474 HB1 ALA 65 HB1 ALA 65 16.824 19.504 4.203 475 HB2 ALA 65 HB2 ALA 65 18.581 19.355 4.193 476 HB3 ALA 65 HB3 ALA 65 17.580 17.978 4.655 477 H PHE 66 HN PHE 66 17.323 16.028 1.697 478 HA PHE 66 HA PHE 66 14.383 16.133 1.821 479 HB2 PHE 66 HB2 PHE 66 16.181 14.552 -0.026 480 HB3 PHE 66 HB1 PHE 66 14.442 14.304 0.099 481 HD1 PHE 66 HD2 PHE 66 12.885 15.972 -0.733 482 HD2 PHE 66 HD1 PHE 66 17.089 16.484 -1.128 483 HE1 PHE 66 HE2 PHE 66 12.508 17.749 -2.392 484 HE2 PHE 66 HE1 PHE 66 16.721 18.262 -2.785 485 HZ PHE 66 HZ PHE 66 14.429 18.897 -3.420 486 H HIS 67 HN HIS 67 13.853 15.237 3.697 487 HA HIS 67 HA HIS 67 15.288 13.095 4.921 488 HB2 HIS 67 HB2 HIS 67 12.483 14.106 5.468 489 HB3 HIS 67 HB1 HIS 67 13.414 13.042 6.518 490 HD1 HIS 67 HD1 HIS 67 13.164 16.630 5.426 491 HD2 HIS 67 HD2 HIS 67 15.366 14.275 8.046 492 HE1 HIS 67 HE1 HIS 67 14.416 18.227 6.936 493 H ILE 68 HN ILE 68 14.710 10.920 5.079 494 HA ILE 68 HA ILE 68 12.547 10.007 3.306 495 HB ILE 68 HB ILE 68 15.263 8.686 3.490 496 HG12 ILE 68 HG12 ILE 68 14.038 10.215 1.182 497 HG13 ILE 68 HG11 ILE 68 15.295 10.843 2.241 498 HG21 ILE 68 HG21 ILE 68 14.422 7.284 1.648 499 HG22 ILE 68 HG22 ILE 68 12.851 8.074 1.786 500 HG23 ILE 68 HG23 ILE 68 13.467 7.099 3.119 501 HD11 ILE 68 HD11 ILE 68 16.215 10.061 0.139 502 HD12 ILE 68 HD12 ILE 68 15.546 8.455 0.428 503 HD13 ILE 68 HD13 ILE 68 16.808 9.088 1.485 504 H ASN 69 HN ASN 69 11.126 9.218 4.684 505 HA ASN 69 HA ASN 69 10.126 8.011 6.308 506 HB2 ASN 69 HB2 ASN 69 12.676 6.415 6.104 507 HB3 ASN 69 HB1 ASN 69 11.380 5.983 7.216 508 HD21 ASN 69 HD21 ASN 69 12.469 4.547 4.918 509 HD22 ASN 69 HD22 ASN 69 11.128 4.247 3.870 510 H PHE 70 HN PHE 70 9.767 9.204 8.024 511 HA PHE 70 HA PHE 70 11.764 10.484 9.556 512 HB2 PHE 70 HB2 PHE 70 9.351 11.208 9.268 513 HB3 PHE 70 HB1 PHE 70 8.914 9.941 10.406 514 HD1 PHE 70 HD1 PHE 70 9.926 10.055 12.754 515 HD2 PHE 70 HD2 PHE 70 10.003 13.306 10.010 516 HE1 PHE 70 HE1 PHE 70 10.303 11.615 14.619 517 HE2 PHE 70 HE2 PHE 70 10.384 14.871 11.869 518 HZ PHE 70 HZ PHE 70 10.534 14.027 14.177 519 H GLY 71 HN GLY 71 13.222 9.135 10.508 520 HA2 GLY 71 HA2 GLY 71 12.249 6.921 12.149 521 HA3 GLY 71 HA1 GLY 71 13.927 7.247 11.730 522 H ALA 72 HN ALA 72 14.734 9.417 12.631 523 HA ALA 72 HA ALA 72 13.599 9.985 15.274 524 HB1 ALA 72 HB1 ALA 72 15.361 8.318 15.636 525 HB2 ALA 72 HB2 ALA 72 15.793 9.878 16.336 526 HB3 ALA 72 HB3 ALA 72 16.519 9.364 14.813 527 H GLY 73 HN GLY 73 13.890 12.111 15.946 528 HA2 GLY 73 HA2 GLY 73 14.591 13.957 13.823 529 HA3 GLY 73 HA1 GLY 73 13.897 14.370 15.386 530 H ILE 74 HN ILE 74 16.107 15.666 14.013 531 HA ILE 74 HA ILE 74 18.557 14.927 15.256 532 HB ILE 74 HB ILE 74 18.415 16.342 13.193 533 HG12 ILE 74 HG12 ILE 74 19.930 17.588 15.500 534 HG13 ILE 74 HG11 ILE 74 20.475 16.206 14.557 535 HG21 ILE 74 HG21 ILE 74 17.580 18.497 15.132 536 HG22 ILE 74 HG22 ILE 74 16.596 17.813 13.837 537 HG23 ILE 74 HG23 ILE 74 18.034 18.757 13.447 538 HD11 ILE 74 HD11 ILE 74 20.583 17.604 12.565 539 HD12 ILE 74 HD12 ILE 74 21.583 18.253 13.865 540 HD13 ILE 74 HD13 ILE 74 20.021 18.988 13.502 541 H ASP 75 HN ASP 75 15.829 16.829 16.171 542 HA ASP 75 HA ASP 75 16.790 18.295 18.321 543 HB2 ASP 75 HB2 ASP 75 14.126 16.942 17.875 544 HB3 ASP 75 HB1 ASP 75 14.441 18.005 19.240 545 H ASP 76 HN ASP 76 15.705 14.937 18.174 546 HA ASP 76 HA ASP 76 15.967 14.455 20.969 547 HB2 ASP 76 HB2 ASP 76 15.796 12.515 18.651 548 HB3 ASP 76 HB1 ASP 76 15.658 12.075 20.351 549 H LEU 77 HN LEU 77 18.077 14.161 18.211 550 HA LEU 77 HA LEU 77 20.096 12.631 19.569 551 HB2 LEU 77 HB2 LEU 77 20.259 14.253 17.024 552 HB3 LEU 77 HB1 LEU 77 21.467 13.113 17.584 553 HG LEU 77 HG LEU 77 18.640 12.395 16.801 554 HD11 LEU 77 HD11 LEU 77 19.675 11.353 14.844 555 HD12 LEU 77 HD12 LEU 77 21.246 11.984 15.342 556 HD13 LEU 77 HD13 LEU 77 19.956 13.094 14.878 557 HD21 LEU 77 HD21 LEU 77 19.552 10.909 18.499 558 HD22 LEU 77 HD22 LEU 77 21.002 10.666 17.527 559 HD23 LEU 77 HD23 LEU 77 19.441 10.087 16.943 560 H LYS 78 HN LYS 78 19.466 16.001 18.899 561 HA LYS 78 HA LYS 78 21.990 16.966 19.844 562 HB2 LYS 78 HB2 LYS 78 20.525 18.131 18.174 563 HB3 LYS 78 HB1 LYS 78 19.393 18.473 19.472 564 HG2 LYS 78 HG2 LYS 78 21.103 19.793 20.615 565 HG3 LYS 78 HG1 LYS 78 22.234 19.452 19.302 566 HD2 LYS 78 HD2 LYS 78 20.630 20.510 17.723 567 HD3 LYS 78 HD1 LYS 78 19.628 20.957 19.104 568 HE2 LYS 78 HE2 LYS 78 21.496 22.256 20.021 569 HE3 LYS 78 HE1 LYS 78 22.473 21.827 18.619 570 HZ1 LYS 78 HZ1 LYS 78 20.034 23.512 18.682 571 HZ2 LYS 78 HZ2 LYS 78 20.682 22.897 17.241 572 HZ3 LYS 78 HZ3 LYS 78 21.599 23.952 18.196 573 H GLY 79 HN GLY 79 18.749 16.604 21.179 574 HA2 GLY 79 HA2 GLY 79 18.434 16.163 23.525 575 HA3 GLY 79 HA1 GLY 79 19.859 17.142 23.854 576 H SER 80 HN SER 80 16.968 17.714 21.884 577 HA SER 80 HA SER 80 16.585 20.231 23.357 578 HB2 SER 80 HB2 SER 80 15.770 19.568 20.515 579 HB3 SER 80 HB1 SER 80 15.607 21.134 21.311 580 HG SER 80 HG SER 80 18.120 20.484 21.598 581 H1 VAL 1 HT1 VAL 1 14.457 -4.934 -12.785 582 H2 VAL 1 HT2 VAL 1 15.272 -4.231 -11.478 583 H3 VAL 1 HT3 VAL 1 15.739 -5.762 -12.040 584 HA VAL 1 HA VAL 1 17.316 -4.169 -12.804 585 HB VAL 1 HB VAL 1 15.444 -5.097 -14.993 586 HG11 VAL 1 HG11 VAL 1 16.859 -3.291 -15.816 587 HG12 VAL 1 HG12 VAL 1 17.335 -4.836 -16.520 588 HG13 VAL 1 HG13 VAL 1 18.293 -4.128 -15.218 589 HG21 VAL 1 HG21 VAL 1 16.344 -6.903 -13.637 590 HG22 VAL 1 HG22 VAL 1 17.981 -6.295 -13.883 591 HG23 VAL 1 HG23 VAL 1 17.059 -6.926 -15.249 592 H ALA 2 HN ALA 2 14.162 -3.400 -14.290 593 HA ALA 2 HA ALA 2 14.774 -0.545 -13.993 594 HB1 ALA 2 HB1 ALA 2 15.451 -1.178 -16.263 595 HB2 ALA 2 HB2 ALA 2 14.060 -0.094 -16.285 596 HB3 ALA 2 HB3 ALA 2 13.837 -1.820 -16.565 597 H SER 3 HN SER 3 13.140 -1.976 -12.362 598 HA SER 3 HA SER 3 10.454 -2.203 -13.162 599 HB2 SER 3 HB2 SER 3 10.059 -2.208 -10.641 600 HB3 SER 3 HB1 SER 3 11.157 -3.442 -11.266 601 HG SER 3 HG SER 3 12.089 -2.468 -9.465 602 H LYS 4 HN LYS 4 8.659 -0.948 -12.056 603 HA LYS 4 HA LYS 4 9.130 1.838 -12.658 604 HB2 LYS 4 HB2 LYS 4 6.713 2.083 -12.600 605 HB3 LYS 4 HB1 LYS 4 7.174 0.729 -13.615 606 HG2 LYS 4 HG2 LYS 4 6.668 -0.769 -11.654 607 HG3 LYS 4 HG1 LYS 4 5.963 0.647 -10.867 608 HD2 LYS 4 HD2 LYS 4 4.798 0.717 -13.342 609 HD3 LYS 4 HD1 LYS 4 4.923 -1.016 -13.042 610 HE2 LYS 4 HE2 LYS 4 2.799 -0.226 -12.235 611 HE3 LYS 4 HE1 LYS 4 3.808 -0.673 -10.859 612 HZ1 LYS 4 HZ1 LYS 4 4.233 1.582 -10.384 613 HZ2 LYS 4 HZ2 LYS 4 2.564 1.487 -10.653 614 HZ3 LYS 4 HZ3 LYS 4 3.591 2.112 -11.858 615 H ALA 5 HN ALA 5 9.574 3.295 -11.230 616 HA ALA 5 HA ALA 5 9.084 2.802 -8.386 617 HB1 ALA 5 HB1 ALA 5 10.685 4.970 -9.752 618 HB2 ALA 5 HB2 ALA 5 11.342 3.508 -9.016 619 HB3 ALA 5 HB3 ALA 5 10.560 4.727 -8.011 620 H ILE 6 HN ILE 6 7.365 3.691 -7.434 621 HA ILE 6 HA ILE 6 5.739 5.497 -9.061 622 HB ILE 6 HB ILE 6 4.863 4.165 -6.509 623 HG12 ILE 6 HG12 ILE 6 4.586 3.048 -9.312 624 HG13 ILE 6 HG11 ILE 6 5.744 2.461 -8.123 625 HG21 ILE 6 HG21 ILE 6 2.642 4.431 -7.512 626 HG22 ILE 6 HG22 ILE 6 3.377 5.182 -8.930 627 HG23 ILE 6 HG23 ILE 6 3.476 5.977 -7.358 628 HD11 ILE 6 HD11 ILE 6 2.749 2.404 -7.840 629 HD12 ILE 6 HD12 ILE 6 3.913 1.803 -6.658 630 HD13 ILE 6 HD13 ILE 6 3.784 1.032 -8.240 631 H PHE 7 HN PHE 7 5.957 7.578 -8.691 632 HA PHE 7 HA PHE 7 6.673 8.541 -6.024 633 HB2 PHE 7 HB2 PHE 7 7.869 9.396 -8.054 634 HB3 PHE 7 HB1 PHE 7 6.352 10.094 -8.606 635 HD1 PHE 7 HD2 PHE 7 5.403 12.046 -7.498 636 HD2 PHE 7 HD1 PHE 7 9.109 10.372 -6.246 637 HE1 PHE 7 HE2 PHE 7 5.896 14.096 -6.233 638 HE2 PHE 7 HE1 PHE 7 9.609 12.421 -4.980 639 HZ PHE 7 HZ PHE 7 8.002 14.288 -4.974 640 H TYR 8 HN TYR 8 4.845 8.449 -4.796 641 HA TYR 8 HA TYR 8 2.304 9.344 -5.875 642 HB2 TYR 8 HB2 TYR 8 3.136 8.211 -3.207 643 HB3 TYR 8 HB1 TYR 8 1.528 8.868 -3.476 644 HD1 TYR 8 HD2 TYR 8 0.185 7.837 -5.451 645 HD2 TYR 8 HD1 TYR 8 3.556 5.966 -3.656 646 HE1 TYR 8 HE2 TYR 8 -0.584 5.660 -6.296 647 HE2 TYR 8 HE1 TYR 8 2.795 3.783 -4.494 648 HH TYR 8 HH TYR 8 0.221 3.466 -6.779 649 H HIS 9 HN HIS 9 1.751 11.421 -5.883 650 HA HIS 9 HA HIS 9 2.580 13.083 -3.612 651 HB2 HIS 9 HB2 HIS 9 3.288 14.891 -4.985 652 HB3 HIS 9 HB1 HIS 9 4.097 13.457 -5.597 653 HD2 HIS 9 HD2 HIS 9 2.719 12.384 -7.982 654 HE1 HIS 9 HE1 HIS 9 1.484 16.285 -9.050 655 HE2 HIS 9 HE2 HIS 9 1.965 13.948 -9.912 656 H ALA 10 HN ALA 10 1.411 15.425 -4.157 657 HA ALA 10 HA ALA 10 -1.373 14.861 -4.857 658 HB1 ALA 10 HB1 ALA 10 -0.554 16.101 -2.232 659 HB2 ALA 10 HB2 ALA 10 -1.181 14.467 -2.443 660 HB3 ALA 10 HB3 ALA 10 -2.206 15.856 -2.799 661 H GLY 11 HN GLY 11 0.936 16.484 -5.932 662 HA2 GLY 11 HA2 GLY 11 1.061 18.462 -7.113 663 HA3 GLY 11 HA1 GLY 11 -0.586 18.815 -6.607 664 H CYS 12 HN CYS 12 2.644 18.544 -5.132 665 HA CYS 12 HA CYS 12 2.105 21.069 -3.716 666 HB2 CYS 12 HB2 CYS 12 3.536 18.679 -2.529 667 HB3 CYS 12 HB1 CYS 12 3.128 20.182 -1.707 668 HG CYS 12 HG CYS 12 0.265 19.353 -2.576 669 HA PRO 13 HA PRO 13 6.077 22.489 -5.132 670 HB2 PRO 13 HB2 PRO 13 7.112 23.530 -2.778 671 HB3 PRO 13 HB1 PRO 13 6.019 24.386 -3.870 672 HG2 PRO 13 HG2 PRO 13 5.409 22.916 -1.342 673 HG3 PRO 13 HG1 PRO 13 4.730 24.439 -1.947 674 HD2 PRO 13 HD2 PRO 13 3.361 22.146 -2.116 675 HD3 PRO 13 HD1 PRO 13 3.287 23.358 -3.412 676 H VAL 14 HN VAL 14 5.977 20.690 -2.109 677 HA VAL 14 HA VAL 14 8.602 19.829 -1.889 678 HB VAL 14 HB VAL 14 6.064 18.315 -1.233 679 HG11 VAL 14 HG11 VAL 14 7.449 17.024 0.335 680 HG12 VAL 14 HG12 VAL 14 8.889 17.824 -0.298 681 HG13 VAL 14 HG13 VAL 14 7.930 16.774 -1.343 682 HG21 VAL 14 HG21 VAL 14 7.829 20.069 0.470 683 HG22 VAL 14 HG22 VAL 14 6.457 19.126 1.054 684 HG23 VAL 14 HG23 VAL 14 6.199 20.447 -0.087 685 H CYS 15 HN CYS 15 5.973 18.599 -3.872 686 HA CYS 15 HA CYS 15 7.298 16.231 -4.725 687 HB2 CYS 15 HB2 CYS 15 5.064 17.614 -6.197 688 HB3 CYS 15 HB1 CYS 15 5.400 15.889 -6.087 689 HG CYS 15 HG CYS 15 4.768 15.832 -3.292 690 H VAL 16 HN VAL 16 7.146 19.522 -5.855 691 HA VAL 16 HA VAL 16 8.201 19.031 -8.462 692 HB VAL 16 HB VAL 16 8.244 21.617 -6.892 693 HG11 VAL 16 HG11 VAL 16 9.735 21.643 -8.811 694 HG12 VAL 16 HG12 VAL 16 8.337 22.676 -9.106 695 HG13 VAL 16 HG13 VAL 16 8.430 21.084 -9.856 696 HG21 VAL 16 HG21 VAL 16 6.143 20.534 -8.767 697 HG22 VAL 16 HG22 VAL 16 6.165 22.164 -8.094 698 HG23 VAL 16 HG23 VAL 16 5.975 20.773 -7.027 699 H SER 17 HN SER 17 9.590 20.253 -5.424 700 HA SER 17 HA SER 17 12.230 20.483 -6.374 701 HB2 SER 17 HB2 SER 17 11.222 20.056 -3.551 702 HB3 SER 17 HB1 SER 17 12.847 20.590 -3.986 703 HG SER 17 HG SER 17 12.085 22.506 -4.621 704 H ALA 18 HN ALA 18 10.505 17.821 -4.793 705 HA ALA 18 HA ALA 18 12.695 16.080 -4.504 706 HB1 ALA 18 HB1 ALA 18 10.526 15.734 -3.399 707 HB2 ALA 18 HB2 ALA 18 11.053 14.305 -4.288 708 HB3 ALA 18 HB3 ALA 18 9.803 15.350 -4.962 709 H GLU 19 HN GLU 19 10.586 16.772 -7.216 710 HA GLU 19 HA GLU 19 11.398 14.648 -8.887 711 HB2 GLU 19 HB2 GLU 19 9.371 15.975 -9.293 712 HB3 GLU 19 HB1 GLU 19 10.357 17.393 -9.619 713 HG2 GLU 19 HG2 GLU 19 11.342 16.232 -11.553 714 HG3 GLU 19 HG1 GLU 19 10.278 14.860 -11.244 715 H GLN 20 HN GLN 20 12.638 17.932 -8.413 716 HA GLN 20 HA GLN 20 14.437 17.731 -10.650 717 HB2 GLN 20 HB2 GLN 20 14.481 19.827 -8.484 718 HB3 GLN 20 HB1 GLN 20 15.125 19.954 -10.115 719 HG2 GLN 20 HG2 GLN 20 12.251 19.891 -9.262 720 HG3 GLN 20 HG1 GLN 20 13.123 21.199 -10.057 721 HE21 GLN 20 HE21 GLN 20 10.680 19.756 -10.788 722 HE22 GLN 20 HE22 GLN 20 10.949 19.116 -12.370 723 H ALA 21 HN ALA 21 14.587 16.827 -7.366 724 HA ALA 21 HA ALA 21 17.527 16.732 -7.502 725 HB1 ALA 21 HB1 ALA 21 16.648 18.111 -5.681 726 HB2 ALA 21 HB2 ALA 21 17.544 16.717 -5.078 727 HB3 ALA 21 HB3 ALA 21 15.781 16.712 -5.048 728 H VAL 22 HN VAL 22 14.904 14.922 -5.890 729 HA VAL 22 HA VAL 22 16.508 12.595 -5.571 730 HB VAL 22 HB VAL 22 13.495 12.757 -5.406 731 HG11 VAL 22 HG11 VAL 22 14.362 10.487 -5.472 732 HG12 VAL 22 HG12 VAL 22 13.728 10.862 -3.870 733 HG13 VAL 22 HG13 VAL 22 15.470 10.854 -4.149 734 HG21 VAL 22 HG21 VAL 22 13.792 13.175 -3.011 735 HG22 VAL 22 HG22 VAL 22 14.488 14.468 -3.986 736 HG23 VAL 22 HG23 VAL 22 15.538 13.262 -3.244 737 H ALA 23 HN ALA 23 13.787 13.379 -7.733 738 HA ALA 23 HA ALA 23 13.916 10.873 -9.103 739 HB1 ALA 23 HB1 ALA 23 11.838 12.159 -8.957 740 HB2 ALA 23 HB2 ALA 23 12.285 11.834 -10.632 741 HB3 ALA 23 HB3 ALA 23 12.558 13.433 -9.941 742 H ASN 24 HN ASN 24 15.766 13.689 -9.263 743 HA ASN 24 HA ASN 24 16.605 13.357 -12.011 744 HB2 ASN 24 HB2 ASN 24 16.587 15.599 -11.030 745 HB3 ASN 24 HB1 ASN 24 17.710 15.080 -9.778 746 HD21 ASN 24 HD21 ASN 24 17.329 15.947 -13.112 747 HD22 ASN 24 HD22 ASN 24 19.013 16.081 -13.478 748 H ALA 25 HN ALA 25 17.733 12.579 -8.788 749 HA ALA 25 HA ALA 25 20.294 11.606 -9.500 750 HB1 ALA 25 HB1 ALA 25 19.734 12.258 -7.218 751 HB2 ALA 25 HB2 ALA 25 20.290 10.586 -7.275 752 HB3 ALA 25 HB3 ALA 25 18.570 10.938 -7.118 753 H ILE 26 HN ILE 26 17.121 10.113 -9.210 754 HA ILE 26 HA ILE 26 18.162 7.511 -9.992 755 HB ILE 26 HB ILE 26 15.298 8.380 -9.541 756 HG12 ILE 26 HG12 ILE 26 17.188 6.863 -7.724 757 HG13 ILE 26 HG11 ILE 26 16.700 8.540 -7.508 758 HG21 ILE 26 HG21 ILE 26 16.505 5.629 -9.838 759 HG22 ILE 26 HG22 ILE 26 15.459 6.441 -11.004 760 HG23 ILE 26 HG23 ILE 26 14.824 5.971 -9.428 761 HD11 ILE 26 HD11 ILE 26 15.473 7.060 -6.026 762 HD12 ILE 26 HD12 ILE 26 14.877 6.149 -7.412 763 HD13 ILE 26 HD13 ILE 26 14.391 7.829 -7.187 764 H ASP 27 HN ASP 27 18.693 7.329 -12.054 765 HA ASP 27 HA ASP 27 17.753 9.025 -14.103 766 HB2 ASP 27 HB2 ASP 27 19.965 7.784 -14.032 767 HB3 ASP 27 HB1 ASP 27 19.076 6.337 -14.500 768 HA PRO 28 HA PRO 28 13.886 7.090 -15.138 769 HB2 PRO 28 HB2 PRO 28 14.330 8.271 -17.809 770 HB3 PRO 28 HB1 PRO 28 12.998 8.518 -16.677 771 HG2 PRO 28 HG2 PRO 28 14.835 10.417 -17.088 772 HG3 PRO 28 HG1 PRO 28 14.143 10.136 -15.479 773 HD2 PRO 28 HD2 PRO 28 16.798 9.292 -16.576 774 HD3 PRO 28 HD1 PRO 28 16.394 9.924 -14.966 775 H SER 29 HN SER 29 16.821 6.632 -16.961 776 HA SER 29 HA SER 29 15.674 4.403 -18.466 777 HB2 SER 29 HB2 SER 29 17.296 6.072 -19.494 778 HB3 SER 29 HB1 SER 29 18.545 5.368 -18.470 779 HG SER 29 HG SER 29 16.970 3.730 -20.143 780 H LYS 30 HN LYS 30 17.258 5.053 -15.561 781 HA LYS 30 HA LYS 30 18.507 2.466 -15.227 782 HB2 LYS 30 HB2 LYS 30 19.356 4.635 -14.228 783 HB3 LYS 30 HB1 LYS 30 17.974 4.598 -13.146 784 HG2 LYS 30 HG2 LYS 30 18.777 2.465 -12.225 785 HG3 LYS 30 HG1 LYS 30 20.190 2.564 -13.281 786 HD2 LYS 30 HD2 LYS 30 20.739 4.758 -12.229 787 HD3 LYS 30 HD1 LYS 30 19.413 4.495 -11.095 788 HE2 LYS 30 HE2 LYS 30 21.449 3.847 -10.025 789 HE3 LYS 30 HE1 LYS 30 20.527 2.387 -10.381 790 HZ1 LYS 30 HZ1 LYS 30 22.752 3.420 -12.065 791 HZ2 LYS 30 HZ2 LYS 30 21.930 1.944 -12.256 792 HZ3 LYS 30 HZ3 LYS 30 22.914 2.200 -10.897 793 H TYR 31 HN TYR 31 15.776 4.253 -13.852 794 HA TYR 31 HA TYR 31 14.329 1.731 -13.533 795 HB2 TYR 31 HB2 TYR 31 14.724 3.815 -11.382 796 HB3 TYR 31 HB1 TYR 31 13.371 2.689 -11.357 797 HD1 TYR 31 HD2 TYR 31 13.816 0.242 -11.154 798 HD2 TYR 31 HD1 TYR 31 16.906 3.133 -10.708 799 HE1 TYR 31 HE2 TYR 31 15.224 -1.443 -10.047 800 HE2 TYR 31 HE1 TYR 31 18.325 1.453 -9.601 801 HH TYR 31 HH TYR 31 18.135 -0.625 -8.402 802 H THR 32 HN THR 32 12.044 1.976 -13.687 803 HA THR 32 HA THR 32 11.359 4.198 -15.416 804 HB THR 32 HB THR 32 9.553 1.936 -14.547 805 HG1 THR 32 HG1 THR 32 11.125 0.808 -15.521 806 HG21 THR 32 HG21 THR 32 8.432 3.803 -15.655 807 HG22 THR 32 HG22 THR 32 8.447 2.382 -16.699 808 HG23 THR 32 HG23 THR 32 9.573 3.706 -16.997 809 H VAL 33 HN VAL 33 11.154 6.014 -14.139 810 HA VAL 33 HA VAL 33 9.685 5.939 -11.664 811 HB VAL 33 HB VAL 33 10.754 8.339 -13.160 812 HG11 VAL 33 HG11 VAL 33 9.048 8.936 -11.535 813 HG12 VAL 33 HG12 VAL 33 10.638 9.462 -10.981 814 HG13 VAL 33 HG13 VAL 33 9.892 8.021 -10.287 815 HG21 VAL 33 HG21 VAL 33 12.545 6.780 -12.633 816 HG22 VAL 33 HG22 VAL 33 12.015 6.713 -10.953 817 HG23 VAL 33 HG23 VAL 33 12.659 8.215 -11.615 818 H GLU 34 HN GLU 34 7.570 6.175 -11.450 819 HA GLU 34 HA GLU 34 6.077 7.643 -13.534 820 HB2 GLU 34 HB2 GLU 34 5.014 5.436 -11.760 821 HB3 GLU 34 HB1 GLU 34 4.148 6.250 -13.053 822 HG2 GLU 34 HG2 GLU 34 5.789 5.312 -14.663 823 HG3 GLU 34 HG1 GLU 34 6.501 4.399 -13.331 824 H ILE 35 HN ILE 35 5.139 9.463 -12.825 825 HA ILE 35 HA ILE 35 5.024 9.894 -9.925 826 HB ILE 35 HB ILE 35 4.797 11.924 -12.155 827 HG12 ILE 35 HG12 ILE 35 7.136 11.169 -10.385 828 HG13 ILE 35 HG11 ILE 35 7.007 10.872 -12.114 829 HG21 ILE 35 HG21 ILE 35 5.198 13.567 -10.374 830 HG22 ILE 35 HG22 ILE 35 5.152 12.268 -9.181 831 HG23 ILE 35 HG23 ILE 35 3.708 12.661 -10.115 832 HD11 ILE 35 HD11 ILE 35 7.144 13.570 -10.793 833 HD12 ILE 35 HD12 ILE 35 7.018 13.275 -12.528 834 HD13 ILE 35 HD13 ILE 35 8.456 12.758 -11.647 835 H VAL 36 HN VAL 36 3.146 9.768 -8.895 836 HA VAL 36 HA VAL 36 0.683 9.722 -10.521 837 HB VAL 36 HB VAL 36 1.316 8.208 -7.983 838 HG11 VAL 36 HG11 VAL 36 -0.841 7.088 -8.347 839 HG12 VAL 36 HG12 VAL 36 -1.171 8.181 -9.691 840 HG13 VAL 36 HG13 VAL 36 -1.033 8.816 -8.051 841 HG21 VAL 36 HG21 VAL 36 0.956 7.250 -10.822 842 HG22 VAL 36 HG22 VAL 36 1.189 6.218 -9.411 843 HG23 VAL 36 HG23 VAL 36 2.474 7.311 -9.926 844 H HIS 37 HN HIS 37 -0.813 11.189 -10.090 845 HA HIS 37 HA HIS 37 -0.527 12.921 -7.765 846 HB2 HIS 37 HB2 HIS 37 -0.980 13.686 -10.196 847 HB3 HIS 37 HB1 HIS 37 -2.635 13.164 -9.906 848 HD2 HIS 37 HD2 HIS 37 -0.577 16.241 -9.648 849 HE1 HIS 37 HE1 HIS 37 -3.734 16.763 -6.885 850 HE2 HIS 37 HE2 HIS 37 -2.012 17.944 -8.323 851 H LEU 38 HN LEU 38 -1.397 12.085 -5.944 852 HA LEU 38 HA LEU 38 -3.795 10.453 -6.058 853 HB2 LEU 38 HB2 LEU 38 -2.101 11.333 -3.721 854 HB3 LEU 38 HB1 LEU 38 -3.476 10.252 -3.602 855 HG LEU 38 HG LEU 38 -0.879 9.714 -5.036 856 HD11 LEU 38 HD11 LEU 38 -0.657 7.931 -3.373 857 HD12 LEU 38 HD12 LEU 38 -2.152 8.467 -2.606 858 HD13 LEU 38 HD13 LEU 38 -0.740 9.523 -2.619 859 HD21 LEU 38 HD21 LEU 38 -3.349 7.997 -4.821 860 HD22 LEU 38 HD22 LEU 38 -1.804 7.505 -5.516 861 HD23 LEU 38 HD23 LEU 38 -2.751 8.778 -6.285 862 H GLY 39 HN GLY 39 -3.070 13.733 -5.700 863 HA2 GLY 39 HA2 GLY 39 -5.170 14.431 -3.876 864 HA3 GLY 39 HA1 GLY 39 -4.243 15.545 -4.870 865 H THR 40 HN THR 40 -5.182 13.482 -7.089 866 HA THR 40 HA THR 40 -7.614 15.015 -7.691 867 HB THR 40 HB THR 40 -5.853 13.464 -9.600 868 HG1 THR 40 HG1 THR 40 -4.721 15.255 -8.854 869 HG21 THR 40 HG21 THR 40 -7.069 14.695 -11.338 870 HG22 THR 40 HG22 THR 40 -8.084 15.438 -10.101 871 HG23 THR 40 HG23 THR 40 -8.160 13.698 -10.376 872 H ASP 41 HN ASP 41 -6.290 11.734 -8.241 873 HA ASP 41 HA ASP 41 -9.026 10.782 -8.640 874 HB2 ASP 41 HB2 ASP 41 -7.419 10.245 -10.391 875 HB3 ASP 41 HB1 ASP 41 -6.367 9.463 -9.215 876 H LYS 42 HN LYS 42 -10.007 9.303 -7.373 877 HA LYS 42 HA LYS 42 -8.814 8.925 -4.748 878 HB2 LYS 42 HB2 LYS 42 -11.588 8.611 -5.848 879 HB3 LYS 42 HB1 LYS 42 -11.164 7.894 -4.301 880 HG2 LYS 42 HG2 LYS 42 -12.206 10.027 -3.943 881 HG3 LYS 42 HG1 LYS 42 -10.507 10.124 -3.478 882 HD2 LYS 42 HD2 LYS 42 -10.000 11.176 -5.646 883 HD3 LYS 42 HD1 LYS 42 -11.715 11.119 -6.058 884 HE2 LYS 42 HE2 LYS 42 -12.244 12.579 -4.205 885 HE3 LYS 42 HE1 LYS 42 -10.562 12.565 -3.675 886 HZ1 LYS 42 HZ1 LYS 42 -9.949 13.644 -5.751 887 HZ2 LYS 42 HZ2 LYS 42 -11.075 14.577 -4.900 888 HZ3 LYS 42 HZ3 LYS 42 -11.569 13.669 -6.246 889 H ALA 43 HN ALA 43 -9.367 7.079 -7.596 890 HA ALA 43 HA ALA 43 -9.493 4.511 -6.345 891 HB1 ALA 43 HB1 ALA 43 -8.790 5.230 -9.190 892 HB2 ALA 43 HB2 ALA 43 -10.410 4.887 -8.581 893 HB3 ALA 43 HB3 ALA 43 -9.186 3.617 -8.597 894 H ARG 44 HN ARG 44 -6.972 6.503 -7.766 895 HA ARG 44 HA ARG 44 -4.843 4.671 -7.478 896 HB2 ARG 44 HB2 ARG 44 -4.924 7.681 -7.619 897 HB3 ARG 44 HB1 ARG 44 -3.419 6.773 -7.539 898 HG2 ARG 44 HG2 ARG 44 -3.881 5.695 -9.620 899 HG3 ARG 44 HG1 ARG 44 -5.508 6.382 -9.668 900 HD2 ARG 44 HD2 ARG 44 -4.624 8.599 -9.920 901 HD3 ARG 44 HD1 ARG 44 -2.976 8.019 -9.678 902 HE ARG 44 HE ARG 44 -3.057 6.988 -11.823 903 HH11 ARG 44 HH11 ARG 44 -5.816 9.009 -11.098 904 HH12 ARG 44 HH12 ARG 44 -6.295 9.181 -12.758 905 HH21 ARG 44 HH21 ARG 44 -3.680 7.215 -14.020 906 HH22 ARG 44 HH22 ARG 44 -5.075 8.178 -14.412 907 H ILE 45 HN ILE 45 -6.419 6.807 -5.212 908 HA ILE 45 HA ILE 45 -4.467 6.743 -3.170 909 HB ILE 45 HB ILE 45 -7.474 6.969 -2.881 910 HG12 ILE 45 HG12 ILE 45 -5.354 9.124 -3.063 911 HG13 ILE 45 HG11 ILE 45 -6.497 8.706 -4.335 912 HG21 ILE 45 HG21 ILE 45 -6.985 8.025 -0.724 913 HG22 ILE 45 HG22 ILE 45 -5.267 7.707 -0.961 914 HG23 ILE 45 HG23 ILE 45 -6.395 6.363 -0.784 915 HD11 ILE 45 HD11 ILE 45 -8.345 9.403 -2.912 916 HD12 ILE 45 HD12 ILE 45 -7.182 10.709 -3.145 917 HD13 ILE 45 HD13 ILE 45 -7.206 9.811 -1.628 918 H ALA 46 HN ALA 46 -7.185 4.640 -3.980 919 HA ALA 46 HA ALA 46 -6.837 2.815 -1.846 920 HB1 ALA 46 HB1 ALA 46 -8.906 2.947 -3.136 921 HB2 ALA 46 HB2 ALA 46 -8.245 1.313 -3.156 922 HB3 ALA 46 HB3 ALA 46 -8.058 2.357 -4.564 923 H GLU 47 HN GLU 47 -5.412 3.105 -5.041 924 HA GLU 47 HA GLU 47 -4.066 0.634 -5.124 925 HB2 GLU 47 HB2 GLU 47 -4.254 2.066 -7.100 926 HB3 GLU 47 HB1 GLU 47 -3.266 3.297 -6.325 927 HG2 GLU 47 HG2 GLU 47 -1.382 1.707 -6.273 928 HG3 GLU 47 HG1 GLU 47 -2.377 0.535 -7.129 929 H ALA 48 HN ALA 48 -3.173 3.783 -3.797 930 HA ALA 48 HA ALA 48 -0.564 3.178 -2.998 931 HB1 ALA 48 HB1 ALA 48 -1.460 5.454 -3.032 932 HB2 ALA 48 HB2 ALA 48 -0.768 5.059 -1.458 933 HB3 ALA 48 HB3 ALA 48 -2.518 5.059 -1.678 934 H GLU 49 HN GLU 49 -3.657 2.662 -1.361 935 HA GLU 49 HA GLU 49 -2.664 1.740 1.098 936 HB2 GLU 49 HB2 GLU 49 -5.182 0.875 -0.335 937 HB3 GLU 49 HB1 GLU 49 -4.836 0.619 1.368 938 HG2 GLU 49 HG2 GLU 49 -4.734 3.093 1.642 939 HG3 GLU 49 HG1 GLU 49 -5.290 3.241 -0.026 940 H LYS 50 HN LYS 50 -3.267 0.082 -1.948 941 HA LYS 50 HA LYS 50 -2.675 -2.511 -0.861 942 HB2 LYS 50 HB2 LYS 50 -3.000 -1.623 -3.734 943 HB3 LYS 50 HB1 LYS 50 -2.904 -3.293 -3.187 944 HG2 LYS 50 HG2 LYS 50 -4.939 -2.900 -1.818 945 HG3 LYS 50 HG1 LYS 50 -5.061 -1.296 -2.541 946 HD2 LYS 50 HD2 LYS 50 -5.258 -2.317 -4.759 947 HD3 LYS 50 HD1 LYS 50 -5.137 -3.920 -4.030 948 HE2 LYS 50 HE2 LYS 50 -7.303 -1.886 -3.504 949 HE3 LYS 50 HE1 LYS 50 -7.463 -3.331 -4.500 950 HZ1 LYS 50 HZ1 LYS 50 -7.041 -4.687 -2.537 951 HZ2 LYS 50 HZ2 LYS 50 -8.382 -3.678 -2.297 952 HZ3 LYS 50 HZ3 LYS 50 -6.895 -3.295 -1.580 953 H ALA 51 HN ALA 51 -0.947 -0.035 -2.631 954 HA ALA 51 HA ALA 51 1.373 -1.559 -3.205 955 HB1 ALA 51 HB1 ALA 51 0.850 0.551 -4.342 956 HB2 ALA 51 HB2 ALA 51 2.455 0.584 -3.611 957 HB3 ALA 51 HB3 ALA 51 1.114 1.424 -2.832 958 H GLY 52 HN GLY 52 0.481 0.563 -0.514 959 HA2 GLY 52 HA2 GLY 52 1.172 -0.251 1.717 960 HA3 GLY 52 HA1 GLY 52 2.744 -0.581 1.005 961 H VAL 53 HN VAL 53 0.703 2.264 0.550 962 HA VAL 53 HA VAL 53 2.918 3.904 1.588 963 HB VAL 53 HB VAL 53 0.722 4.748 -0.313 964 HG11 VAL 53 HG11 VAL 53 2.138 6.697 -0.720 965 HG12 VAL 53 HG12 VAL 53 3.292 6.111 0.478 966 HG13 VAL 53 HG13 VAL 53 1.668 6.584 0.976 967 HG21 VAL 53 HG21 VAL 53 2.423 4.655 -2.072 968 HG22 VAL 53 HG22 VAL 53 2.132 3.068 -1.361 969 HG23 VAL 53 HG23 VAL 53 3.574 3.981 -0.918 970 H LYS 54 HN LYS 54 2.562 4.937 3.454 971 HA LYS 54 HA LYS 54 -0.203 5.150 4.412 972 HB2 LYS 54 HB2 LYS 54 2.397 5.401 5.931 973 HB3 LYS 54 HB1 LYS 54 0.794 5.508 6.639 974 HG2 LYS 54 HG2 LYS 54 0.366 3.180 5.895 975 HG3 LYS 54 HG1 LYS 54 2.041 3.095 5.344 976 HD2 LYS 54 HD2 LYS 54 2.231 2.175 7.444 977 HD3 LYS 54 HD1 LYS 54 2.567 3.869 7.792 978 HE2 LYS 54 HE2 LYS 54 -0.082 2.469 8.157 979 HE3 LYS 54 HE1 LYS 54 1.040 2.908 9.439 980 HZ1 LYS 54 HZ1 LYS 54 -0.698 4.525 9.344 981 HZ2 LYS 54 HZ2 LYS 54 -0.479 4.761 7.685 982 HZ3 LYS 54 HZ3 LYS 54 0.719 5.262 8.776 983 H SER 55 HN SER 55 2.379 7.061 3.223 984 HA SER 55 HA SER 55 0.873 9.473 3.929 985 HB2 SER 55 HB2 SER 55 3.865 9.180 4.303 986 HB3 SER 55 HB1 SER 55 2.915 10.634 4.616 987 HG SER 55 HG SER 55 1.738 8.745 5.970 988 H VAL 56 HN VAL 56 0.923 11.090 2.403 989 HA VAL 56 HA VAL 56 1.996 10.370 -0.184 990 HB VAL 56 HB VAL 56 0.912 12.524 -0.947 991 HG11 VAL 56 HG11 VAL 56 -0.146 10.356 -1.234 992 HG12 VAL 56 HG12 VAL 56 -1.349 11.591 -0.861 993 HG13 VAL 56 HG13 VAL 56 -0.830 10.460 0.389 994 HG21 VAL 56 HG21 VAL 56 0.860 13.699 1.171 995 HG22 VAL 56 HG22 VAL 56 -0.207 12.468 1.847 996 HG23 VAL 56 HG23 VAL 56 -0.775 13.503 0.537 997 HA PRO 57 HA PRO 57 4.748 12.790 -2.156 998 HB2 PRO 57 HB2 PRO 57 5.331 14.416 0.307 999 HB3 PRO 57 HB1 PRO 57 5.849 14.712 -1.364 1000 HG2 PRO 57 HG2 PRO 57 3.470 15.675 -0.235 1001 HG3 PRO 57 HG1 PRO 57 3.799 15.546 -1.972 1002 HD2 PRO 57 HD2 PRO 57 1.803 14.121 -0.584 1003 HD3 PRO 57 HD1 PRO 57 2.450 13.683 -2.187 1004 H ALA 58 HN ALA 58 5.160 10.640 -2.017 1005 HA ALA 58 HA ALA 58 7.520 9.965 -0.440 1006 HB1 ALA 58 HB1 ALA 58 5.060 8.215 -0.566 1007 HB2 ALA 58 HB2 ALA 58 5.636 9.084 0.857 1008 HB3 ALA 58 HB3 ALA 58 6.601 7.777 0.170 1009 H LEU 59 HN LEU 59 8.577 7.977 -1.338 1010 HA LEU 59 HA LEU 59 7.997 7.688 -4.216 1011 HB2 LEU 59 HB2 LEU 59 9.981 9.066 -3.867 1012 HB3 LEU 59 HB1 LEU 59 10.688 7.824 -2.854 1013 HG LEU 59 HG LEU 59 10.810 6.315 -4.802 1014 HD11 LEU 59 HD11 LEU 59 10.417 7.199 -7.044 1015 HD12 LEU 59 HD12 LEU 59 9.823 8.707 -6.348 1016 HD13 LEU 59 HD13 LEU 59 8.938 7.205 -6.082 1017 HD21 LEU 59 HD21 LEU 59 12.724 7.705 -4.216 1018 HD22 LEU 59 HD22 LEU 59 12.097 9.010 -5.223 1019 HD23 LEU 59 HD23 LEU 59 12.610 7.495 -5.963 1020 H VAL 60 HN VAL 60 7.398 5.691 -4.678 1021 HA VAL 60 HA VAL 60 8.193 3.486 -2.921 1022 HB VAL 60 HB VAL 60 6.176 3.492 -5.173 1023 HG11 VAL 60 HG11 VAL 60 5.368 1.415 -4.151 1024 HG12 VAL 60 HG12 VAL 60 6.677 1.492 -2.971 1025 HG13 VAL 60 HG13 VAL 60 7.045 1.272 -4.682 1026 HG21 VAL 60 HG21 VAL 60 5.502 5.021 -3.409 1027 HG22 VAL 60 HG22 VAL 60 5.749 3.759 -2.201 1028 HG23 VAL 60 HG23 VAL 60 4.477 3.586 -3.411 1029 H ILE 61 HN ILE 61 10.162 2.749 -3.499 1030 HA ILE 61 HA ILE 61 10.820 2.516 -6.343 1031 HB ILE 61 HB ILE 61 12.609 2.190 -3.927 1032 HG12 ILE 61 HG12 ILE 61 12.370 4.477 -5.896 1033 HG13 ILE 61 HG11 ILE 61 11.786 4.500 -4.236 1034 HG21 ILE 61 HG21 ILE 61 14.450 2.293 -5.556 1035 HG22 ILE 61 HG22 ILE 61 13.272 2.304 -6.869 1036 HG23 ILE 61 HG23 ILE 61 13.408 0.894 -5.818 1037 HD11 ILE 61 HD11 ILE 61 13.892 5.683 -4.446 1038 HD12 ILE 61 HD12 ILE 61 14.657 4.233 -5.095 1039 HD13 ILE 61 HD13 ILE 61 14.076 4.253 -3.430 1040 H ASP 62 HN ASP 62 10.350 0.658 -7.276 1041 HA ASP 62 HA ASP 62 10.370 -1.548 -7.803 1042 HB2 ASP 62 HB2 ASP 62 12.757 -1.309 -6.985 1043 HB3 ASP 62 HB1 ASP 62 12.212 -1.957 -5.443 1044 H GLY 63 HN GLY 63 8.735 -0.369 -5.401 1045 HA2 GLY 63 HA2 GLY 63 6.678 -1.656 -4.902 1046 HA3 GLY 63 HA1 GLY 63 7.735 -3.001 -4.503 1047 H ALA 64 HN ALA 64 9.618 -0.961 -3.234 1048 HA ALA 64 HA ALA 64 8.311 -1.014 -0.625 1049 HB1 ALA 64 HB1 ALA 64 10.526 -0.485 0.270 1050 HB2 ALA 64 HB2 ALA 64 11.154 -0.332 -1.372 1051 HB3 ALA 64 HB3 ALA 64 10.580 -1.895 -0.790 1052 H ALA 65 HN ALA 65 7.477 0.739 0.322 1053 HA ALA 65 HA ALA 65 7.545 3.245 -1.147 1054 HB1 ALA 65 HB1 ALA 65 5.397 2.365 -0.389 1055 HB2 ALA 65 HB2 ALA 65 5.742 3.933 0.343 1056 HB3 ALA 65 HB3 ALA 65 5.945 2.456 1.284 1057 H PHE 66 HN PHE 66 9.024 4.717 -0.714 1058 HA PHE 66 HA PHE 66 9.981 4.992 2.059 1059 HB2 PHE 66 HB2 PHE 66 11.360 5.909 -0.474 1060 HB3 PHE 66 HB1 PHE 66 12.021 5.955 1.158 1061 HD1 PHE 66 HD1 PHE 66 12.262 3.695 2.370 1062 HD2 PHE 66 HD2 PHE 66 11.766 4.094 -1.836 1063 HE1 PHE 66 HE1 PHE 66 13.193 1.444 2.048 1064 HE2 PHE 66 HE2 PHE 66 12.699 1.841 -2.162 1065 HZ PHE 66 HZ PHE 66 13.409 0.514 -0.218 1066 H HIS 67 HN HIS 67 8.965 6.603 3.042 1067 HA HIS 67 HA HIS 67 7.632 8.678 1.590 1068 HB2 HIS 67 HB2 HIS 67 8.158 8.432 4.565 1069 HB3 HIS 67 HB1 HIS 67 7.014 9.536 3.808 1070 HD1 HIS 67 HD1 HIS 67 7.330 6.080 5.064 1071 HD2 HIS 67 HD2 HIS 67 4.753 8.233 2.617 1072 HE1 HIS 67 HE1 HIS 67 5.219 4.701 4.868 1073 H ILE 68 HN ILE 68 8.284 10.759 1.217 1074 HA ILE 68 HA ILE 68 11.114 11.310 1.755 1075 HB ILE 68 HB ILE 68 9.305 13.075 0.109 1076 HG12 ILE 68 HG12 ILE 68 10.669 10.554 -0.868 1077 HG13 ILE 68 HG11 ILE 68 8.932 10.753 -0.659 1078 HG21 ILE 68 HG21 ILE 68 11.499 13.204 -1.239 1079 HG22 ILE 68 HG22 ILE 68 12.248 12.485 0.187 1080 HG23 ILE 68 HG23 ILE 68 11.424 14.039 0.307 1081 HD11 ILE 68 HD11 ILE 68 10.666 12.284 -2.581 1082 HD12 ILE 68 HD12 ILE 68 8.926 12.487 -2.373 1083 HD13 ILE 68 HD13 ILE 68 9.570 10.963 -2.986 1084 H ASN 69 HN ASN 69 11.354 13.951 2.083 1085 HA ASN 69 HA ASN 69 10.640 15.100 4.310 1086 HB2 ASN 69 HB2 ASN 69 10.280 16.289 1.565 1087 HB3 ASN 69 HB1 ASN 69 9.902 17.229 3.004 1088 HD21 ASN 69 HD21 ASN 69 11.935 17.690 0.989 1089 HD22 ASN 69 HD22 ASN 69 13.449 17.725 1.832 1090 H PHE 70 HN PHE 70 8.932 14.995 5.577 1091 HA PHE 70 HA PHE 70 6.662 13.632 4.919 1092 HB2 PHE 70 HB2 PHE 70 7.448 14.034 7.230 1093 HB3 PHE 70 HB1 PHE 70 6.884 15.699 7.113 1094 HD1 PHE 70 HD1 PHE 70 5.694 12.185 6.864 1095 HD2 PHE 70 HD2 PHE 70 4.713 16.234 7.736 1096 HE1 PHE 70 HE1 PHE 70 3.466 11.476 7.630 1097 HE2 PHE 70 HE2 PHE 70 2.483 15.532 8.504 1098 HZ PHE 70 HZ PHE 70 1.858 13.151 8.451 1099 H GLY 71 HN GLY 71 5.500 14.208 3.192 1100 HA2 GLY 71 HA2 GLY 71 4.485 16.876 2.846 1101 HA3 GLY 71 HA1 GLY 71 4.035 15.451 1.911 1102 H ALA 72 HN ALA 72 2.418 14.044 2.700 1103 HA ALA 72 HA ALA 72 1.042 14.938 5.129 1104 HB1 ALA 72 HB1 ALA 72 -1.165 14.883 4.101 1105 HB2 ALA 72 HB2 ALA 72 -0.441 14.539 2.532 1106 HB3 ALA 72 HB3 ALA 72 -0.142 16.087 3.318 1107 H GLY 73 HN GLY 73 -0.955 13.229 5.394 1108 HA2 GLY 73 HA2 GLY 73 0.261 10.582 4.909 1109 HA3 GLY 73 HA1 GLY 73 -0.845 10.951 6.228 1110 H ILE 74 HN ILE 74 -1.264 8.803 4.456 1111 HA ILE 74 HA ILE 74 -3.151 9.577 2.446 1112 HB ILE 74 HB ILE 74 -1.870 7.423 2.381 1113 HG12 ILE 74 HG12 ILE 74 -4.879 7.105 2.306 1114 HG13 ILE 74 HG11 ILE 74 -3.908 7.813 1.018 1115 HG21 ILE 74 HG21 ILE 74 -3.806 6.597 4.540 1116 HG22 ILE 74 HG22 ILE 74 -2.059 6.780 4.711 1117 HG23 ILE 74 HG23 ILE 74 -2.716 5.515 3.673 1118 HD11 ILE 74 HD11 ILE 74 -2.754 5.690 0.718 1119 HD12 ILE 74 HD12 ILE 74 -4.497 5.509 0.528 1120 HD13 ILE 74 HD13 ILE 74 -3.713 4.981 2.017 1121 H ASP 75 HN ASP 75 -3.230 8.956 5.818 1122 HA ASP 75 HA ASP 75 -5.955 8.441 6.232 1123 HB2 ASP 75 HB2 ASP 75 -3.985 9.877 8.031 1124 HB3 ASP 75 HB1 ASP 75 -5.539 9.227 8.540 1125 H ASP 76 HN ASP 76 -4.199 11.371 5.583 1126 HA ASP 76 HA ASP 76 -6.168 13.232 6.418 1127 HB2 ASP 76 HB2 ASP 76 -3.919 13.472 4.413 1128 HB3 ASP 76 HB1 ASP 76 -4.924 14.823 4.920 1129 H LEU 77 HN LEU 77 -5.397 11.797 3.267 1130 HA LEU 77 HA LEU 77 -7.483 13.267 1.938 1131 HB2 LEU 77 HB2 LEU 77 -5.736 11.002 0.976 1132 HB3 LEU 77 HB1 LEU 77 -6.840 11.911 -0.037 1133 HG LEU 77 HG LEU 77 -4.424 13.039 1.383 1134 HD11 LEU 77 HD11 LEU 77 -3.503 13.284 -0.866 1135 HD12 LEU 77 HD12 LEU 77 -4.926 12.490 -1.538 1136 HD13 LEU 77 HD13 LEU 77 -3.831 11.593 -0.486 1137 HD21 LEU 77 HD21 LEU 77 -4.890 15.075 0.120 1138 HD22 LEU 77 HD22 LEU 77 -6.228 14.673 1.197 1139 HD23 LEU 77 HD23 LEU 77 -6.357 14.343 -0.531 1140 H LYS 78 HN LYS 78 -7.141 10.137 3.405 1141 HA LYS 78 HA LYS 78 -9.466 9.022 2.121 1142 HB2 LYS 78 HB2 LYS 78 -7.490 7.679 2.916 1143 HB3 LYS 78 HB1 LYS 78 -8.015 7.993 4.563 1144 HG2 LYS 78 HG2 LYS 78 -10.108 6.832 4.138 1145 HG3 LYS 78 HG1 LYS 78 -9.623 6.553 2.463 1146 HD2 LYS 78 HD2 LYS 78 -7.643 5.303 3.322 1147 HD3 LYS 78 HD1 LYS 78 -8.302 5.470 4.949 1148 HE2 LYS 78 HE2 LYS 78 -9.713 4.140 2.641 1149 HE3 LYS 78 HE1 LYS 78 -8.818 3.289 3.897 1150 HZ1 LYS 78 HZ1 LYS 78 -11.196 3.308 4.332 1151 HZ2 LYS 78 HZ2 LYS 78 -11.206 5.003 4.349 1152 HZ3 LYS 78 HZ3 LYS 78 -10.353 4.145 5.541 1153 H GLY 79 HN GLY 79 -8.699 10.564 5.186 1154 HA2 GLY 79 HA2 GLY 79 -10.066 11.485 6.785 1155 HA3 GLY 79 HA1 GLY 79 -11.399 11.307 5.652 1156 H SER 80 HN SER 80 -9.283 9.010 7.365 1157 HA SER 80 HA SER 80 -11.655 7.859 8.630 1158 HB2 SER 80 HB2 SER 80 -9.570 6.209 7.175 1159 HB3 SER 80 HB1 SER 80 -10.985 5.590 8.027 1160 HG SER 80 HG SER 80 -11.835 7.398 6.297 Start of MODEL 17 1 H1 VAL 1 HT1 VAL 1 28.348 17.123 -13.922 2 H2 VAL 1 HT2 VAL 1 29.487 16.468 -12.847 3 H3 VAL 1 HT3 VAL 1 28.314 17.553 -12.282 4 HA VAL 1 HA VAL 1 26.567 16.025 -12.726 5 HB VAL 1 HB VAL 1 27.442 14.910 -14.682 6 HG11 VAL 1 HG11 VAL 1 29.466 13.625 -12.858 7 HG12 VAL 1 HG12 VAL 1 29.798 14.808 -14.122 8 HG13 VAL 1 HG13 VAL 1 29.197 13.207 -14.550 9 HG21 VAL 1 HG21 VAL 1 27.002 12.957 -12.429 10 HG22 VAL 1 HG22 VAL 1 26.873 12.590 -14.151 11 HG23 VAL 1 HG23 VAL 1 25.751 13.728 -13.405 12 H ALA 2 HN ALA 2 29.789 15.061 -11.514 13 HA ALA 2 HA ALA 2 28.620 13.618 -9.306 14 HB1 ALA 2 HB1 ALA 2 30.705 12.830 -10.300 15 HB2 ALA 2 HB2 ALA 2 30.930 13.233 -8.598 16 HB3 ALA 2 HB3 ALA 2 31.500 14.339 -9.848 17 H SER 3 HN SER 3 27.405 15.187 -8.277 18 HA SER 3 HA SER 3 28.809 17.501 -7.183 19 HB2 SER 3 HB2 SER 3 26.350 18.103 -6.551 20 HB3 SER 3 HB1 SER 3 26.864 18.237 -8.232 21 HG SER 3 HG SER 3 25.686 16.526 -8.758 22 H LYS 4 HN LYS 4 27.996 18.174 -4.955 23 HA LYS 4 HA LYS 4 28.733 16.130 -3.118 24 HB2 LYS 4 HB2 LYS 4 29.259 18.576 -2.887 25 HB3 LYS 4 HB1 LYS 4 27.561 18.852 -2.523 26 HG2 LYS 4 HG2 LYS 4 28.695 18.788 -0.457 27 HG3 LYS 4 HG1 LYS 4 27.830 17.256 -0.597 28 HD2 LYS 4 HD2 LYS 4 29.896 16.166 -1.348 29 HD3 LYS 4 HD1 LYS 4 30.757 17.698 -1.184 30 HE2 LYS 4 HE2 LYS 4 30.193 17.722 1.216 31 HE3 LYS 4 HE1 LYS 4 29.408 16.156 1.026 32 HZ1 LYS 4 HZ1 LYS 4 31.632 15.350 0.180 33 HZ2 LYS 4 HZ2 LYS 4 31.540 15.696 1.836 34 HZ3 LYS 4 HZ3 LYS 4 32.288 16.794 0.780 35 H ALA 5 HN ALA 5 27.396 14.556 -2.506 36 HA ALA 5 HA ALA 5 24.635 15.288 -1.785 37 HB1 ALA 5 HB1 ALA 5 25.536 12.681 -3.012 38 HB2 ALA 5 HB2 ALA 5 24.634 13.953 -3.839 39 HB3 ALA 5 HB3 ALA 5 23.896 13.074 -2.499 40 H ILE 6 HN ILE 6 24.562 15.268 0.363 41 HA ILE 6 HA ILE 6 26.226 13.368 1.849 42 HB ILE 6 HB ILE 6 24.728 15.836 2.733 43 HG12 ILE 6 HG12 ILE 6 26.884 16.170 1.541 44 HG13 ILE 6 HG11 ILE 6 26.929 16.731 3.210 45 HG21 ILE 6 HG21 ILE 6 26.310 13.908 4.430 46 HG22 ILE 6 HG22 ILE 6 24.565 14.159 4.487 47 HG23 ILE 6 HG23 ILE 6 25.658 15.457 4.968 48 HD11 ILE 6 HD11 ILE 6 28.974 15.603 2.725 49 HD12 ILE 6 HD12 ILE 6 28.110 14.193 2.114 50 HD13 ILE 6 HD13 ILE 6 28.037 14.599 3.829 51 H PHE 7 HN PHE 7 25.390 11.683 2.931 52 HA PHE 7 HA PHE 7 22.454 11.522 3.124 53 HB2 PHE 7 HB2 PHE 7 23.590 9.792 1.699 54 HB3 PHE 7 HB1 PHE 7 24.422 9.224 3.141 55 HD1 PHE 7 HD2 PHE 7 21.110 9.600 1.556 56 HD2 PHE 7 HD1 PHE 7 23.361 7.771 4.672 57 HE1 PHE 7 HE2 PHE 7 19.215 8.109 2.045 58 HE2 PHE 7 HE1 PHE 7 21.470 6.276 5.163 59 HZ PHE 7 HZ PHE 7 19.395 6.444 3.850 60 H TYR 8 HN TYR 8 21.968 12.277 5.101 61 HA TYR 8 HA TYR 8 23.616 11.610 7.405 62 HB2 TYR 8 HB2 TYR 8 21.158 13.315 7.027 63 HB3 TYR 8 HB1 TYR 8 21.769 12.921 8.626 64 HD1 TYR 8 HD1 TYR 8 24.252 13.552 9.091 65 HD2 TYR 8 HD2 TYR 8 21.936 15.206 5.929 66 HE1 TYR 8 HE1 TYR 8 25.753 15.498 9.019 67 HE2 TYR 8 HE2 TYR 8 23.436 17.154 5.842 68 HH TYR 8 HH TYR 8 26.423 17.267 7.637 69 H HIS 9 HN HIS 9 23.207 9.983 8.789 70 HA HIS 9 HA HIS 9 20.482 9.129 9.245 71 HB2 HIS 9 HB2 HIS 9 20.749 6.828 8.689 72 HB3 HIS 9 HB1 HIS 9 21.301 7.742 7.293 73 HD2 HIS 9 HD2 HIS 9 24.278 8.006 7.345 74 HE1 HIS 9 HE1 HIS 9 24.550 4.172 9.113 75 HE2 HIS 9 HE2 HIS 9 25.756 5.906 7.722 76 H ALA 10 HN ALA 10 20.424 7.447 11.039 77 HA ALA 10 HA ALA 10 22.541 8.130 12.967 78 HB1 ALA 10 HB1 ALA 10 20.339 9.006 13.553 79 HB2 ALA 10 HB2 ALA 10 20.879 7.800 14.721 80 HB3 ALA 10 HB3 ALA 10 19.672 7.374 13.508 81 H GLY 11 HN GLY 11 21.973 5.737 10.979 82 HA2 GLY 11 HA2 GLY 11 22.710 3.549 10.973 83 HA3 GLY 11 HA1 GLY 11 23.207 3.760 12.646 84 H CYS 12 HN CYS 12 19.963 4.334 11.481 85 HA CYS 12 HA CYS 12 18.969 2.250 13.262 86 HB2 CYS 12 HB2 CYS 12 17.414 4.280 11.645 87 HB3 CYS 12 HB1 CYS 12 16.806 3.300 12.974 88 HG CYS 12 HG CYS 12 18.786 4.588 14.743 89 HA PRO 13 HA PRO 13 17.926 -0.769 10.150 90 HB2 PRO 13 HB2 PRO 13 15.108 -0.527 11.102 91 HB3 PRO 13 HB1 PRO 13 16.099 -1.974 10.879 92 HG2 PRO 13 HG2 PRO 13 15.648 -1.015 13.318 93 HG3 PRO 13 HG1 PRO 13 17.241 -1.661 12.878 94 HD2 PRO 13 HD2 PRO 13 16.363 1.173 13.194 95 HD3 PRO 13 HD1 PRO 13 17.927 0.425 13.576 96 H VAL 14 HN VAL 14 15.566 1.859 10.542 97 HA VAL 14 HA VAL 14 14.490 1.798 7.949 98 HB VAL 14 HB VAL 14 14.808 4.189 9.779 99 HG11 VAL 14 HG11 VAL 14 12.924 5.143 8.539 100 HG12 VAL 14 HG12 VAL 14 12.938 3.754 7.452 101 HG13 VAL 14 HG13 VAL 14 14.312 4.859 7.489 102 HG21 VAL 14 HG21 VAL 14 13.612 2.383 10.874 103 HG22 VAL 14 HG22 VAL 14 12.532 2.231 9.488 104 HG23 VAL 14 HG23 VAL 14 12.504 3.694 10.472 105 H CYS 15 HN CYS 15 17.363 3.342 9.263 106 HA CYS 15 HA CYS 15 17.977 4.918 6.986 107 HB2 CYS 15 HB2 CYS 15 19.851 3.853 9.112 108 HB3 CYS 15 HB1 CYS 15 20.185 5.179 8.003 109 HG CYS 15 HG CYS 15 17.787 6.549 9.148 110 H VAL 16 HN VAL 16 18.853 1.665 8.028 111 HA VAL 16 HA VAL 16 20.708 1.073 6.003 112 HB VAL 16 HB VAL 16 18.817 -0.848 7.380 113 HG11 VAL 16 HG11 VAL 16 20.511 -2.543 6.871 114 HG12 VAL 16 HG12 VAL 16 21.454 -1.336 5.997 115 HG13 VAL 16 HG13 VAL 16 19.864 -1.812 5.402 116 HG21 VAL 16 HG21 VAL 16 21.589 0.048 8.164 117 HG22 VAL 16 HG22 VAL 16 20.675 -1.243 8.943 118 HG23 VAL 16 HG23 VAL 16 20.089 0.418 9.013 119 H SER 17 HN SER 17 17.194 0.594 6.169 120 HA SER 17 HA SER 17 16.877 -0.620 3.659 121 HB2 SER 17 HB2 SER 17 14.906 1.149 5.127 122 HB3 SER 17 HB1 SER 17 14.520 -0.020 3.865 123 HG SER 17 HG SER 17 15.916 -1.279 5.740 124 H ALA 18 HN ALA 18 16.745 2.793 4.630 125 HA ALA 18 HA ALA 18 16.046 3.828 2.103 126 HB1 ALA 18 HB1 ALA 18 16.771 5.986 2.988 127 HB2 ALA 18 HB2 ALA 18 17.546 5.171 4.348 128 HB3 ALA 18 HB3 ALA 18 15.792 5.109 4.164 129 H GLU 19 HN GLU 19 19.167 3.182 3.626 130 HA GLU 19 HA GLU 19 20.796 4.346 1.650 131 HB2 GLU 19 HB2 GLU 19 21.720 3.749 3.805 132 HB3 GLU 19 HB1 GLU 19 21.340 2.052 3.543 133 HG2 GLU 19 HG2 GLU 19 22.903 2.106 1.584 134 HG3 GLU 19 HG1 GLU 19 23.390 3.717 2.109 135 H GLN 20 HN GLN 20 19.923 0.923 2.135 136 HA GLN 20 HA GLN 20 21.340 0.083 -0.173 137 HB2 GLN 20 HB2 GLN 20 19.267 -1.371 1.468 138 HB3 GLN 20 HB1 GLN 20 20.313 -2.115 0.262 139 HG2 GLN 20 HG2 GLN 20 22.275 -1.412 1.575 140 HG3 GLN 20 HG1 GLN 20 21.191 -0.764 2.803 141 HE21 GLN 20 HE21 GLN 20 23.202 -2.844 2.989 142 HE22 GLN 20 HE22 GLN 20 22.381 -4.260 3.561 143 H ALA 21 HN ALA 21 18.257 1.464 0.159 144 HA ALA 21 HA ALA 21 17.407 0.350 -2.414 145 HB1 ALA 21 HB1 ALA 21 15.222 1.289 -1.939 146 HB2 ALA 21 HB2 ALA 21 15.849 2.051 -0.477 147 HB3 ALA 21 HB3 ALA 21 15.774 0.293 -0.592 148 H VAL 22 HN VAL 22 17.426 3.574 -0.849 149 HA VAL 22 HA VAL 22 17.104 4.842 -3.418 150 HB VAL 22 HB VAL 22 17.566 6.131 -0.723 151 HG11 VAL 22 HG11 VAL 22 16.469 7.259 -3.297 152 HG12 VAL 22 HG12 VAL 22 18.044 7.621 -2.589 153 HG13 VAL 22 HG13 VAL 22 16.569 8.115 -1.758 154 HG21 VAL 22 HG21 VAL 22 15.577 4.735 -0.672 155 HG22 VAL 22 HG22 VAL 22 14.983 5.496 -2.147 156 HG23 VAL 22 HG23 VAL 22 15.130 6.442 -0.665 157 H ALA 23 HN ALA 23 19.594 5.000 -0.856 158 HA ALA 23 HA ALA 23 21.331 6.661 -2.357 159 HB1 ALA 23 HB1 ALA 23 22.988 6.175 -0.634 160 HB2 ALA 23 HB2 ALA 23 21.973 4.872 -0.017 161 HB3 ALA 23 HB3 ALA 23 21.418 6.543 0.081 162 H ASN 24 HN ASN 24 20.990 3.206 -2.042 163 HA ASN 24 HA ASN 24 23.413 2.520 -3.383 164 HB2 ASN 24 HB2 ASN 24 22.242 1.003 -1.819 165 HB3 ASN 24 HB1 ASN 24 20.907 0.880 -2.958 166 HD21 ASN 24 HD21 ASN 24 21.105 -1.301 -3.202 167 HD22 ASN 24 HD22 ASN 24 22.425 -2.045 -4.037 168 H ALA 25 HN ALA 25 20.114 3.166 -4.385 169 HA ALA 25 HA ALA 25 20.349 2.226 -7.044 170 HB1 ALA 25 HB1 ALA 25 18.567 4.412 -5.968 171 HB2 ALA 25 HB2 ALA 25 18.181 2.691 -6.006 172 HB3 ALA 25 HB3 ALA 25 18.378 3.584 -7.513 173 H ILE 26 HN ILE 26 21.199 5.220 -5.456 174 HA ILE 26 HA ILE 26 21.852 6.592 -7.896 175 HB ILE 26 HB ILE 26 22.578 7.264 -5.038 176 HG12 ILE 26 HG12 ILE 26 20.375 8.336 -6.820 177 HG13 ILE 26 HG11 ILE 26 20.145 7.232 -5.467 178 HG21 ILE 26 HG21 ILE 26 22.735 8.947 -7.538 179 HG22 ILE 26 HG22 ILE 26 24.102 8.312 -6.623 180 HG23 ILE 26 HG23 ILE 26 23.036 9.516 -5.896 181 HD11 ILE 26 HD11 ILE 26 20.961 8.949 -3.934 182 HD12 ILE 26 HD12 ILE 26 19.564 9.503 -4.857 183 HD13 ILE 26 HD13 ILE 26 21.182 10.051 -5.293 184 H ASP 27 HN ASP 27 23.607 6.200 -9.056 185 HA ASP 27 HA ASP 27 25.692 4.489 -8.175 186 HB2 ASP 27 HB2 ASP 27 25.826 6.376 -10.532 187 HB3 ASP 27 HB1 ASP 27 26.719 4.878 -10.306 188 HA PRO 28 HA PRO 28 28.292 7.649 -6.277 189 HB2 PRO 28 HB2 PRO 28 30.285 5.496 -6.195 190 HB3 PRO 28 HB1 PRO 28 29.553 6.389 -4.860 191 HG2 PRO 28 HG2 PRO 28 28.980 3.800 -5.335 192 HG3 PRO 28 HG1 PRO 28 27.779 4.930 -4.682 193 HD2 PRO 28 HD2 PRO 28 28.111 3.927 -7.487 194 HD3 PRO 28 HD1 PRO 28 26.622 4.170 -6.547 195 H SER 29 HN SER 29 28.528 5.983 -9.159 196 HA SER 29 HA SER 29 30.974 7.317 -10.045 197 HB2 SER 29 HB2 SER 29 30.477 4.901 -10.619 198 HB3 SER 29 HB1 SER 29 29.135 5.474 -11.603 199 HG SER 29 HG SER 29 30.830 5.255 -12.977 200 H LYS 30 HN LYS 30 27.745 7.952 -9.737 201 HA LYS 30 HA LYS 30 27.672 9.745 -12.069 202 HB2 LYS 30 HB2 LYS 30 25.864 8.002 -11.844 203 HB3 LYS 30 HB1 LYS 30 25.347 8.815 -10.374 204 HG2 LYS 30 HG2 LYS 30 24.915 10.855 -11.685 205 HG3 LYS 30 HG1 LYS 30 25.362 9.979 -13.151 206 HD2 LYS 30 HD2 LYS 30 23.552 8.368 -12.716 207 HD3 LYS 30 HD1 LYS 30 23.091 9.292 -11.285 208 HE2 LYS 30 HE2 LYS 30 21.623 9.929 -13.045 209 HE3 LYS 30 HE1 LYS 30 22.738 11.268 -12.781 210 HZ1 LYS 30 HZ1 LYS 30 22.938 9.233 -14.935 211 HZ2 LYS 30 HZ2 LYS 30 24.036 10.499 -14.684 212 HZ3 LYS 30 HZ3 LYS 30 22.436 10.841 -15.129 213 H TYR 31 HN TYR 31 26.717 9.540 -8.642 214 HA TYR 31 HA TYR 31 27.324 12.419 -8.404 215 HB2 TYR 31 HB2 TYR 31 25.202 10.861 -6.903 216 HB3 TYR 31 HB1 TYR 31 25.620 12.544 -6.610 217 HD1 TYR 31 HD1 TYR 31 25.260 14.204 -8.538 218 HD2 TYR 31 HD2 TYR 31 23.579 10.295 -8.486 219 HE1 TYR 31 HE1 TYR 31 23.595 14.901 -10.210 220 HE2 TYR 31 HE2 TYR 31 21.915 10.981 -10.158 221 HH TYR 31 HH TYR 31 20.870 12.985 -11.004 222 H THR 32 HN THR 32 28.166 13.068 -6.294 223 HA THR 32 HA THR 32 29.847 10.975 -5.172 224 HB THR 32 HB THR 32 29.817 13.926 -4.503 225 HG1 THR 32 HG1 THR 32 30.769 12.550 -6.673 226 HG21 THR 32 HG21 THR 32 31.891 11.774 -4.045 227 HG22 THR 32 HG22 THR 32 30.901 12.543 -2.805 228 HG23 THR 32 HG23 THR 32 32.100 13.489 -3.690 229 H VAL 33 HN VAL 33 28.465 9.750 -3.957 230 HA VAL 33 HA VAL 33 26.718 11.009 -2.010 231 HB VAL 33 HB VAL 33 27.155 8.061 -2.529 232 HG11 VAL 33 HG11 VAL 33 24.999 7.779 -1.414 233 HG12 VAL 33 HG12 VAL 33 24.923 9.514 -1.113 234 HG13 VAL 33 HG13 VAL 33 26.178 8.540 -0.346 235 HG21 VAL 33 HG21 VAL 33 25.055 9.921 -3.640 236 HG22 VAL 33 HG22 VAL 33 25.081 8.170 -3.843 237 HG23 VAL 33 HG23 VAL 33 26.360 9.158 -4.547 238 H GLU 34 HN GLU 34 27.610 11.663 -0.183 239 HA GLU 34 HA GLU 34 29.620 9.936 1.104 240 HB2 GLU 34 HB2 GLU 34 30.427 12.194 0.499 241 HB3 GLU 34 HB1 GLU 34 29.149 12.903 1.475 242 HG2 GLU 34 HG2 GLU 34 30.117 12.117 3.483 243 HG3 GLU 34 HG1 GLU 34 31.235 11.066 2.612 244 H ILE 35 HN ILE 35 28.654 8.694 2.543 245 HA ILE 35 HA ILE 35 26.202 9.558 3.835 246 HB ILE 35 HB ILE 35 27.655 6.908 3.914 247 HG12 ILE 35 HG12 ILE 35 25.168 7.789 2.429 248 HG13 ILE 35 HG11 ILE 35 26.744 7.496 1.705 249 HG21 ILE 35 HG21 ILE 35 24.922 7.635 4.962 250 HG22 ILE 35 HG22 ILE 35 26.340 7.246 5.937 251 HG23 ILE 35 HG23 ILE 35 25.610 6.012 4.910 252 HD11 ILE 35 HD11 ILE 35 25.004 5.444 3.049 253 HD12 ILE 35 HD12 ILE 35 26.591 5.144 2.338 254 HD13 ILE 35 HD13 ILE 35 25.244 5.641 1.312 255 H VAL 36 HN VAL 36 26.066 10.294 5.846 256 HA VAL 36 HA VAL 36 28.489 10.180 7.526 257 HB VAL 36 HB VAL 36 26.373 12.343 7.455 258 HG11 VAL 36 HG11 VAL 36 27.333 12.027 9.683 259 HG12 VAL 36 HG12 VAL 36 27.837 13.562 8.976 260 HG13 VAL 36 HG13 VAL 36 28.955 12.199 9.009 261 HG21 VAL 36 HG21 VAL 36 29.229 12.376 6.480 262 HG22 VAL 36 HG22 VAL 36 28.139 13.762 6.521 263 HG23 VAL 36 HG23 VAL 36 27.784 12.392 5.469 264 H HIS 37 HN HIS 37 28.288 9.059 9.336 265 HA HIS 37 HA HIS 37 25.670 8.268 10.304 266 HB2 HIS 37 HB2 HIS 37 27.731 6.740 10.146 267 HB3 HIS 37 HB1 HIS 37 28.336 7.601 11.554 268 HD2 HIS 37 HD2 HIS 37 25.917 4.794 10.624 269 HE1 HIS 37 HE1 HIS 37 25.577 5.474 14.783 270 HE2 HIS 37 HE2 HIS 37 25.144 3.828 12.906 271 H LEU 38 HN LEU 38 24.601 9.515 11.703 272 HA LEU 38 HA LEU 38 26.034 11.575 13.186 273 HB2 LEU 38 HB2 LEU 38 23.086 11.024 12.863 274 HB3 LEU 38 HB1 LEU 38 23.745 12.358 13.787 275 HG LEU 38 HG LEU 38 24.075 11.947 10.814 276 HD11 LEU 38 HD11 LEU 38 21.807 12.580 11.437 277 HD12 LEU 38 HD12 LEU 38 22.631 13.912 10.626 278 HD13 LEU 38 HD13 LEU 38 22.432 13.936 12.378 279 HD21 LEU 38 HD21 LEU 38 26.017 13.045 11.792 280 HD22 LEU 38 HD22 LEU 38 24.969 14.207 12.603 281 HD23 LEU 38 HD23 LEU 38 25.069 14.190 10.843 282 H GLY 39 HN GLY 39 25.238 8.426 13.762 283 HA2 GLY 39 HA2 GLY 39 24.256 8.763 16.479 284 HA3 GLY 39 HA1 GLY 39 24.495 7.240 15.637 285 H THR 40 HN THR 40 26.715 9.922 16.311 286 HA THR 40 HA THR 40 28.178 8.378 18.260 287 HB THR 40 HB THR 40 29.540 9.098 15.650 288 HG1 THR 40 HG1 THR 40 28.192 6.900 16.377 289 HG21 THR 40 HG21 THR 40 31.006 9.378 17.595 290 HG22 THR 40 HG22 THR 40 31.508 8.007 16.604 291 HG23 THR 40 HG23 THR 40 30.634 7.733 18.112 292 H ASP 41 HN ASP 41 28.463 11.143 16.026 293 HA ASP 41 HA ASP 41 29.778 12.643 18.178 294 HB2 ASP 41 HB2 ASP 41 31.156 12.519 16.234 295 HB3 ASP 41 HB1 ASP 41 29.819 12.973 15.179 296 H LYS 42 HN LYS 42 28.889 14.402 19.042 297 HA LYS 42 HA LYS 42 26.201 15.110 18.226 298 HB2 LYS 42 HB2 LYS 42 27.904 15.996 20.552 299 HB3 LYS 42 HB1 LYS 42 26.273 16.579 20.259 300 HG2 LYS 42 HG2 LYS 42 25.434 14.278 20.444 301 HG3 LYS 42 HG1 LYS 42 27.074 13.727 20.789 302 HD2 LYS 42 HD2 LYS 42 27.141 15.097 22.792 303 HD3 LYS 42 HD1 LYS 42 25.537 15.738 22.430 304 HE2 LYS 42 HE2 LYS 42 24.572 13.526 22.681 305 HE3 LYS 42 HE1 LYS 42 26.171 12.838 22.962 306 HZ1 LYS 42 HZ1 LYS 42 24.765 14.796 24.699 307 HZ2 LYS 42 HZ2 LYS 42 26.349 14.245 24.945 308 HZ3 LYS 42 HZ3 LYS 42 25.052 13.160 25.043 309 H ALA 43 HN ALA 43 29.353 16.276 17.637 310 HA ALA 43 HA ALA 43 28.735 19.039 17.341 311 HB1 ALA 43 HB1 ALA 43 31.039 18.259 17.609 312 HB2 ALA 43 HB2 ALA 43 30.851 19.196 16.127 313 HB3 ALA 43 HB3 ALA 43 30.945 17.436 16.052 314 H ARG 44 HN ARG 44 28.628 16.237 15.245 315 HA ARG 44 HA ARG 44 27.947 17.677 12.890 316 HB2 ARG 44 HB2 ARG 44 27.913 14.794 13.670 317 HB3 ARG 44 HB1 ARG 44 27.119 15.305 12.184 318 HG2 ARG 44 HG2 ARG 44 29.196 16.299 11.402 319 HG3 ARG 44 HG1 ARG 44 29.996 15.815 12.896 320 HD2 ARG 44 HD2 ARG 44 29.913 13.552 12.347 321 HD3 ARG 44 HD1 ARG 44 28.651 13.798 11.138 322 HE ARG 44 HE ARG 44 30.259 14.638 9.642 323 HH11 ARG 44 HH11 ARG 44 31.687 13.597 12.668 324 HH12 ARG 44 HH12 ARG 44 33.306 13.553 12.035 325 HH21 ARG 44 HH21 ARG 44 32.348 14.602 8.812 326 HH22 ARG 44 HH22 ARG 44 33.688 14.141 9.824 327 H ILE 45 HN ILE 45 26.138 16.884 15.660 328 HA ILE 45 HA ILE 45 23.557 16.945 14.481 329 HB ILE 45 HB ILE 45 24.467 17.781 17.245 330 HG12 ILE 45 HG12 ILE 45 23.037 15.309 16.238 331 HG13 ILE 45 HG11 ILE 45 24.719 15.392 16.748 332 HG21 ILE 45 HG21 ILE 45 22.425 18.981 16.656 333 HG22 ILE 45 HG22 ILE 45 22.106 17.762 17.891 334 HG23 ILE 45 HG23 ILE 45 21.649 17.460 16.214 335 HD11 ILE 45 HD11 ILE 45 24.010 15.918 19.018 336 HD12 ILE 45 HD12 ILE 45 23.314 14.395 18.460 337 HD13 ILE 45 HD13 ILE 45 22.322 15.853 18.509 338 H ALA 46 HN ALA 46 25.785 19.409 15.670 339 HA ALA 46 HA ALA 46 24.168 21.649 15.009 340 HB1 ALA 46 HB1 ALA 46 26.032 21.830 16.575 341 HB2 ALA 46 HB2 ALA 46 26.234 22.950 15.225 342 HB3 ALA 46 HB3 ALA 46 27.169 21.455 15.278 343 H GLU 47 HN GLU 47 26.506 19.696 13.261 344 HA GLU 47 HA GLU 47 26.764 21.300 10.963 345 HB2 GLU 47 HB2 GLU 47 28.229 19.355 11.506 346 HB3 GLU 47 HB1 GLU 47 26.893 18.278 11.121 347 HG2 GLU 47 HG2 GLU 47 26.879 19.309 8.823 348 HG3 GLU 47 HG1 GLU 47 28.393 20.096 9.261 349 H ALA 48 HN ALA 48 24.556 18.628 11.723 350 HA ALA 48 HA ALA 48 23.139 18.692 9.283 351 HB1 ALA 48 HB1 ALA 48 22.196 17.728 11.981 352 HB2 ALA 48 HB2 ALA 48 23.094 16.772 10.802 353 HB3 ALA 48 HB3 ALA 48 21.466 17.339 10.424 354 H GLU 49 HN GLU 49 22.585 20.294 12.399 355 HA GLU 49 HA GLU 49 20.151 21.553 11.709 356 HB2 GLU 49 HB2 GLU 49 20.961 21.379 14.026 357 HB3 GLU 49 HB1 GLU 49 22.297 22.455 13.644 358 HG2 GLU 49 HG2 GLU 49 20.625 24.215 13.089 359 HG3 GLU 49 HG1 GLU 49 19.369 23.130 13.679 360 H LYS 50 HN LYS 50 23.512 22.455 11.317 361 HA LYS 50 HA LYS 50 23.182 25.073 10.361 362 HB2 LYS 50 HB2 LYS 50 25.307 24.135 11.146 363 HB3 LYS 50 HB1 LYS 50 25.335 23.030 9.784 364 HG2 LYS 50 HG2 LYS 50 25.634 24.859 8.248 365 HG3 LYS 50 HG1 LYS 50 25.461 26.029 9.562 366 HD2 LYS 50 HD2 LYS 50 27.467 25.227 10.614 367 HD3 LYS 50 HD1 LYS 50 27.597 23.903 9.456 368 HE2 LYS 50 HE2 LYS 50 27.765 26.832 8.769 369 HE3 LYS 50 HE1 LYS 50 29.150 25.763 8.991 370 HZ1 LYS 50 HZ1 LYS 50 28.744 25.878 6.686 371 HZ2 LYS 50 HZ2 LYS 50 27.077 25.630 6.876 372 HZ3 LYS 50 HZ3 LYS 50 28.162 24.361 7.177 373 H ALA 51 HN ALA 51 23.135 21.948 8.738 374 HA ALA 51 HA ALA 51 22.876 23.051 6.104 375 HB1 ALA 51 HB1 ALA 51 22.293 20.263 7.102 376 HB2 ALA 51 HB2 ALA 51 23.833 20.829 6.454 377 HB3 ALA 51 HB3 ALA 51 22.413 20.751 5.413 378 H GLY 52 HN GLY 52 20.662 21.712 8.519 379 HA2 GLY 52 HA2 GLY 52 18.476 22.870 8.670 380 HA3 GLY 52 HA1 GLY 52 18.417 22.779 6.916 381 H VAL 53 HN VAL 53 19.688 20.095 8.657 382 HA VAL 53 HA VAL 53 17.576 18.400 7.637 383 HB VAL 53 HB VAL 53 20.009 17.694 9.291 384 HG11 VAL 53 HG11 VAL 53 18.145 15.927 7.712 385 HG12 VAL 53 HG12 VAL 53 18.268 16.003 9.469 386 HG13 VAL 53 HG13 VAL 53 19.625 15.403 8.516 387 HG21 VAL 53 HG21 VAL 53 19.563 17.557 6.313 388 HG22 VAL 53 HG22 VAL 53 20.980 16.946 7.167 389 HG23 VAL 53 HG23 VAL 53 20.632 18.676 7.160 390 H LYS 54 HN LYS 54 15.957 17.491 8.792 391 HA LYS 54 HA LYS 54 15.827 18.144 11.662 392 HB2 LYS 54 HB2 LYS 54 13.636 17.753 9.631 393 HB3 LYS 54 HB1 LYS 54 13.336 17.815 11.360 394 HG2 LYS 54 HG2 LYS 54 14.340 20.083 11.398 395 HG3 LYS 54 HG1 LYS 54 14.466 20.007 9.638 396 HD2 LYS 54 HD2 LYS 54 12.080 19.797 9.424 397 HD3 LYS 54 HD1 LYS 54 11.892 19.675 11.173 398 HE2 LYS 54 HE2 LYS 54 12.819 21.968 11.375 399 HE3 LYS 54 HE1 LYS 54 12.841 22.075 9.615 400 HZ1 LYS 54 HZ1 LYS 54 10.465 21.812 9.571 401 HZ2 LYS 54 HZ2 LYS 54 10.855 23.093 10.613 402 HZ3 LYS 54 HZ3 LYS 54 10.409 21.585 11.250 403 H SER 55 HN SER 55 15.493 15.572 9.300 404 HA SER 55 HA SER 55 15.221 13.662 11.511 405 HB2 SER 55 HB2 SER 55 13.618 13.517 8.946 406 HB3 SER 55 HB1 SER 55 13.498 12.435 10.334 407 HG SER 55 HG SER 55 11.959 14.356 10.030 408 H VAL 56 HN VAL 56 15.823 11.466 10.935 409 HA VAL 56 HA VAL 56 17.485 11.297 8.511 410 HB VAL 56 HB VAL 56 18.964 9.704 9.689 411 HG11 VAL 56 HG11 VAL 56 20.155 11.341 11.060 412 HG12 VAL 56 HG12 VAL 56 18.739 12.392 11.035 413 HG13 VAL 56 HG13 VAL 56 19.605 12.045 9.538 414 HG21 VAL 56 HG21 VAL 56 17.416 10.502 12.154 415 HG22 VAL 56 HG22 VAL 56 18.885 9.525 12.129 416 HG23 VAL 56 HG23 VAL 56 17.408 8.913 11.389 417 HA PRO 57 HA PRO 57 18.636 9.611 7.558 418 HB2 PRO 57 HB2 PRO 57 17.750 8.418 5.088 419 HB3 PRO 57 HB1 PRO 57 19.003 7.851 6.193 420 HG2 PRO 57 HG2 PRO 57 16.622 6.556 5.774 421 HG3 PRO 57 HG1 PRO 57 17.592 6.407 7.248 422 HD2 PRO 57 HD2 PRO 57 15.154 8.064 6.739 423 HD3 PRO 57 HD1 PRO 57 15.615 7.145 8.189 424 H ALA 58 HN ALA 58 19.253 11.135 6.020 425 HA ALA 58 HA ALA 58 17.138 12.410 4.438 426 HB1 ALA 58 HB1 ALA 58 19.071 13.906 6.205 427 HB2 ALA 58 HB2 ALA 58 17.339 13.722 6.488 428 HB3 ALA 58 HB3 ALA 58 17.915 14.633 5.090 429 H LEU 59 HN LEU 59 17.772 12.954 2.436 430 HA LEU 59 HA LEU 59 20.618 12.570 1.785 431 HB2 LEU 59 HB2 LEU 59 18.530 11.287 0.707 432 HB3 LEU 59 HB1 LEU 59 18.522 12.701 -0.325 433 HG LEU 59 HG LEU 59 20.885 10.850 0.034 434 HD11 LEU 59 HD11 LEU 59 20.350 10.068 -2.220 435 HD12 LEU 59 HD12 LEU 59 18.900 11.074 -2.225 436 HD13 LEU 59 HD13 LEU 59 19.038 9.731 -1.089 437 HD21 LEU 59 HD21 LEU 59 20.414 13.088 -1.934 438 HD22 LEU 59 HD22 LEU 59 21.818 12.022 -1.885 439 HD23 LEU 59 HD23 LEU 59 21.515 13.144 -0.558 440 H VAL 60 HN VAL 60 21.646 14.449 1.761 441 HA VAL 60 HA VAL 60 20.254 16.904 1.040 442 HB VAL 60 HB VAL 60 23.119 16.532 1.936 443 HG11 VAL 60 HG11 VAL 60 23.008 18.928 2.474 444 HG12 VAL 60 HG12 VAL 60 21.389 18.996 1.777 445 HG13 VAL 60 HG13 VAL 60 22.773 18.621 0.753 446 HG21 VAL 60 HG21 VAL 60 22.340 17.259 4.143 447 HG22 VAL 60 HG22 VAL 60 21.578 15.748 3.648 448 HG23 VAL 60 HG23 VAL 60 20.679 17.262 3.551 449 H ILE 61 HN ILE 61 20.022 17.118 -1.093 450 HA ILE 61 HA ILE 61 22.236 16.414 -2.881 451 HB ILE 61 HB ILE 61 19.409 17.237 -3.582 452 HG12 ILE 61 HG12 ILE 61 20.651 14.475 -3.532 453 HG13 ILE 61 HG11 ILE 61 19.512 15.091 -2.340 454 HG21 ILE 61 HG21 ILE 61 21.602 16.040 -5.274 455 HG22 ILE 61 HG22 ILE 61 21.002 17.696 -5.363 456 HG23 ILE 61 HG23 ILE 61 19.949 16.352 -5.806 457 HD11 ILE 61 HD11 ILE 61 17.808 15.290 -4.078 458 HD12 ILE 61 HD12 ILE 61 18.413 13.638 -3.939 459 HD13 ILE 61 HD13 ILE 61 18.953 14.668 -5.266 460 H ASP 62 HN ASP 62 23.677 18.040 -2.989 461 HA ASP 62 HA ASP 62 24.595 20.022 -3.610 462 HB2 ASP 62 HB2 ASP 62 23.175 19.662 -5.631 463 HB3 ASP 62 HB1 ASP 62 21.897 20.597 -4.866 464 H GLY 63 HN GLY 63 22.774 19.730 -1.148 465 HA2 GLY 63 HA2 GLY 63 23.050 21.427 0.605 466 HA3 GLY 63 HA1 GLY 63 22.610 22.627 -0.600 467 H ALA 64 HN ALA 64 20.551 20.529 -1.553 468 HA ALA 64 HA ALA 64 18.448 21.430 0.259 469 HB1 ALA 64 HB1 ALA 64 18.272 19.974 -2.380 470 HB2 ALA 64 HB2 ALA 64 18.081 21.711 -2.135 471 HB3 ALA 64 HB3 ALA 64 16.904 20.590 -1.450 472 H ALA 65 HN ALA 65 17.930 20.191 1.926 473 HA ALA 65 HA ALA 65 18.759 17.419 2.002 474 HB1 ALA 65 HB1 ALA 65 17.381 19.076 4.112 475 HB2 ALA 65 HB2 ALA 65 19.125 18.879 3.939 476 HB3 ALA 65 HB3 ALA 65 18.117 17.490 4.343 477 H PHE 66 HN PHE 66 17.507 15.943 1.099 478 HA PHE 66 HA PHE 66 14.597 16.169 1.429 479 HB2 PHE 66 HB2 PHE 66 16.236 14.539 -0.524 480 HB3 PHE 66 HB1 PHE 66 14.485 14.433 -0.373 481 HD1 PHE 66 HD2 PHE 66 13.063 16.299 -1.046 482 HD2 PHE 66 HD1 PHE 66 17.279 16.398 -1.606 483 HE1 PHE 66 HE2 PHE 66 12.804 18.176 -2.614 484 HE2 PHE 66 HE1 PHE 66 17.030 18.275 -3.173 485 HZ PHE 66 HZ PHE 66 14.792 19.166 -3.681 486 H HIS 67 HN HIS 67 13.958 15.197 3.194 487 HA HIS 67 HA HIS 67 15.414 13.107 4.474 488 HB2 HIS 67 HB2 HIS 67 12.605 14.115 4.990 489 HB3 HIS 67 HB1 HIS 67 13.549 13.103 6.077 490 HD1 HIS 67 HD1 HIS 67 13.389 16.640 4.748 491 HD2 HIS 67 HD2 HIS 67 15.391 14.419 7.633 492 HE1 HIS 67 HE1 HIS 67 14.598 18.307 6.214 493 H ILE 68 HN ILE 68 15.011 10.941 4.551 494 HA ILE 68 HA ILE 68 13.020 9.929 2.627 495 HB ILE 68 HB ILE 68 15.563 8.552 3.509 496 HG12 ILE 68 HG12 ILE 68 14.978 9.960 0.891 497 HG13 ILE 68 HG11 ILE 68 16.005 10.602 2.169 498 HG21 ILE 68 HG21 ILE 68 15.097 7.038 1.635 499 HG22 ILE 68 HG22 ILE 68 13.594 7.903 1.317 500 HG23 ILE 68 HG23 ILE 68 13.799 7.019 2.830 501 HD11 ILE 68 HD11 ILE 68 17.328 9.630 0.387 502 HD12 ILE 68 HD12 ILE 68 16.502 8.086 0.594 503 HD13 ILE 68 HD13 ILE 68 17.531 8.715 1.881 504 H ASN 69 HN ASN 69 11.324 9.685 4.028 505 HA ASN 69 HA ASN 69 10.006 8.767 5.624 506 HB2 ASN 69 HB2 ASN 69 12.168 6.680 5.511 507 HB3 ASN 69 HB1 ASN 69 10.879 6.570 6.705 508 HD21 ASN 69 HD21 ASN 69 11.511 4.824 4.441 509 HD22 ASN 69 HD22 ASN 69 10.074 4.768 3.474 510 H PHE 70 HN PHE 70 10.374 7.722 8.093 511 HA PHE 70 HA PHE 70 12.130 9.672 9.416 512 HB2 PHE 70 HB2 PHE 70 9.808 10.469 9.516 513 HB3 PHE 70 HB1 PHE 70 9.312 8.948 10.250 514 HD1 PHE 70 HD2 PHE 70 11.387 11.966 10.775 515 HD2 PHE 70 HD1 PHE 70 9.479 8.615 12.572 516 HE1 PHE 70 HE2 PHE 70 11.846 12.904 13.001 517 HE2 PHE 70 HE1 PHE 70 9.934 9.548 14.803 518 HZ PHE 70 HZ PHE 70 11.121 11.695 15.019 519 H GLY 71 HN GLY 71 13.703 8.383 10.153 520 HA2 GLY 71 HA2 GLY 71 12.979 5.985 11.682 521 HA3 GLY 71 HA1 GLY 71 14.607 6.452 11.194 522 H ALA 72 HN ALA 72 15.046 8.844 12.064 523 HA ALA 72 HA ALA 72 14.112 9.107 14.827 524 HB1 ALA 72 HB1 ALA 72 16.378 9.507 15.645 525 HB2 ALA 72 HB2 ALA 72 17.027 9.173 14.040 526 HB3 ALA 72 HB3 ALA 72 16.237 7.890 14.957 527 H GLY 73 HN GLY 73 14.441 11.267 15.693 528 HA2 GLY 73 HA2 GLY 73 14.639 13.278 13.530 529 HA3 GLY 73 HA1 GLY 73 13.609 13.450 14.943 530 H ILE 74 HN ILE 74 16.047 14.940 13.728 531 HA ILE 74 HA ILE 74 18.160 14.666 15.596 532 HB ILE 74 HB ILE 74 18.428 15.684 13.325 533 HG12 ILE 74 HG12 ILE 74 19.336 17.378 15.662 534 HG13 ILE 74 HG11 ILE 74 20.152 15.945 15.044 535 HG21 ILE 74 HG21 ILE 74 16.467 17.104 13.269 536 HG22 ILE 74 HG22 ILE 74 17.921 18.078 13.051 537 HG23 ILE 74 HG23 ILE 74 17.095 18.064 14.609 538 HD11 ILE 74 HD11 ILE 74 19.756 18.536 13.570 539 HD12 ILE 74 HD12 ILE 74 20.551 17.101 12.925 540 HD13 ILE 74 HD13 ILE 74 21.258 17.961 14.293 541 H ASP 75 HN ASP 75 15.284 16.650 15.495 542 HA ASP 75 HA ASP 75 16.003 18.464 17.549 543 HB2 ASP 75 HB2 ASP 75 14.200 18.901 15.919 544 HB3 ASP 75 HB1 ASP 75 13.253 17.596 16.625 545 H ASP 76 HN ASP 76 14.658 15.272 17.517 546 HA ASP 76 HA ASP 76 13.695 15.300 20.217 547 HB2 ASP 76 HB2 ASP 76 12.763 13.840 18.419 548 HB3 ASP 76 HB1 ASP 76 14.273 12.937 18.416 549 H LEU 77 HN LEU 77 16.619 14.354 18.566 550 HA LEU 77 HA LEU 77 17.753 13.080 20.913 551 HB2 LEU 77 HB2 LEU 77 18.945 13.631 18.194 552 HB3 LEU 77 HB1 LEU 77 19.689 12.661 19.450 553 HG LEU 77 HG LEU 77 17.081 11.993 18.079 554 HD11 LEU 77 HD11 LEU 77 19.834 10.822 17.702 555 HD12 LEU 77 HD12 LEU 77 18.973 11.838 16.546 556 HD13 LEU 77 HD13 LEU 77 18.347 10.240 16.952 557 HD21 LEU 77 HD21 LEU 77 17.221 11.125 20.351 558 HD22 LEU 77 HD22 LEU 77 18.793 10.410 19.993 559 HD23 LEU 77 HD23 LEU 77 17.349 9.821 19.170 560 H LYS 78 HN LYS 78 17.805 16.159 19.362 561 HA LYS 78 HA LYS 78 20.348 17.001 20.377 562 HB2 LYS 78 HB2 LYS 78 19.415 17.893 18.288 563 HB3 LYS 78 HB1 LYS 78 18.082 18.604 19.183 564 HG2 LYS 78 HG2 LYS 78 19.509 20.171 20.239 565 HG3 LYS 78 HG1 LYS 78 20.957 19.337 19.666 566 HD2 LYS 78 HD2 LYS 78 20.402 19.896 17.372 567 HD3 LYS 78 HD1 LYS 78 18.900 20.655 17.898 568 HE2 LYS 78 HE2 LYS 78 21.623 21.563 18.799 569 HE3 LYS 78 HE1 LYS 78 20.798 22.226 17.390 570 HZ1 LYS 78 HZ1 LYS 78 18.916 22.767 18.929 571 HZ2 LYS 78 HZ2 LYS 78 20.338 23.654 19.179 572 HZ3 LYS 78 HZ3 LYS 78 19.944 22.376 20.227 573 H GLY 79 HN GLY 79 20.627 17.231 22.472 574 HA2 GLY 79 HA2 GLY 79 18.960 19.121 23.913 575 HA3 GLY 79 HA1 GLY 79 18.988 17.482 24.553 576 H SER 80 HN SER 80 19.870 19.594 26.081 577 HA SER 80 HA SER 80 22.770 19.116 26.157 578 HB2 SER 80 HB2 SER 80 21.385 21.735 26.796 579 HB3 SER 80 HB1 SER 80 23.123 21.432 26.838 580 HG SER 80 HG SER 80 22.646 20.748 24.493 581 H1 VAL 1 HT1 VAL 1 17.921 -4.299 -13.098 582 H2 VAL 1 HT2 VAL 1 18.914 -4.911 -14.328 583 H3 VAL 1 HT3 VAL 1 17.402 -4.245 -14.710 584 HA VAL 1 HA VAL 1 19.625 -2.736 -13.480 585 HB VAL 1 HB VAL 1 19.840 -1.617 -15.710 586 HG11 VAL 1 HG11 VAL 1 21.465 -3.262 -14.980 587 HG12 VAL 1 HG12 VAL 1 21.194 -3.399 -16.717 588 HG13 VAL 1 HG13 VAL 1 20.460 -4.565 -15.615 589 HG21 VAL 1 HG21 VAL 1 18.182 -3.954 -16.657 590 HG22 VAL 1 HG22 VAL 1 19.042 -2.820 -17.698 591 HG23 VAL 1 HG23 VAL 1 17.708 -2.255 -16.691 592 H ALA 2 HN ALA 2 16.371 -2.826 -14.812 593 HA ALA 2 HA ALA 2 15.872 -0.184 -13.633 594 HB1 ALA 2 HB1 ALA 2 14.602 0.510 -15.595 595 HB2 ALA 2 HB2 ALA 2 14.997 -1.006 -16.403 596 HB3 ALA 2 HB3 ALA 2 16.274 0.153 -16.029 597 H SER 3 HN SER 3 14.491 -0.732 -12.041 598 HA SER 3 HA SER 3 12.271 -2.533 -12.678 599 HB2 SER 3 HB2 SER 3 11.916 -2.560 -10.202 600 HB3 SER 3 HB1 SER 3 13.502 -3.157 -10.690 601 HG SER 3 HG SER 3 13.061 -1.343 -8.928 602 H LYS 4 HN LYS 4 10.389 -1.628 -10.835 603 HA LYS 4 HA LYS 4 9.594 0.856 -12.167 604 HB2 LYS 4 HB2 LYS 4 8.097 -1.161 -12.285 605 HB3 LYS 4 HB1 LYS 4 7.856 -1.011 -10.548 606 HG2 LYS 4 HG2 LYS 4 6.944 1.246 -10.891 607 HG3 LYS 4 HG1 LYS 4 7.127 1.036 -12.634 608 HD2 LYS 4 HD2 LYS 4 5.637 -0.982 -12.441 609 HD3 LYS 4 HD1 LYS 4 5.326 -0.501 -10.769 610 HE2 LYS 4 HE2 LYS 4 4.668 1.769 -11.732 611 HE3 LYS 4 HE1 LYS 4 4.641 0.967 -13.299 612 HZ1 LYS 4 HZ1 LYS 4 2.968 -0.552 -12.474 613 HZ2 LYS 4 HZ2 LYS 4 2.451 1.051 -12.272 614 HZ3 LYS 4 HZ3 LYS 4 3.020 0.173 -10.940 615 H ALA 5 HN ALA 5 9.782 2.685 -11.112 616 HA ALA 5 HA ALA 5 9.596 2.670 -8.168 617 HB1 ALA 5 HB1 ALA 5 11.008 4.668 -8.173 618 HB2 ALA 5 HB2 ALA 5 11.112 4.595 -9.932 619 HB3 ALA 5 HB3 ALA 5 11.824 3.313 -8.954 620 H ILE 6 HN ILE 6 7.849 3.650 -7.384 621 HA ILE 6 HA ILE 6 6.193 5.216 -9.222 622 HB ILE 6 HB ILE 6 5.484 4.244 -6.448 623 HG12 ILE 6 HG12 ILE 6 6.020 2.339 -7.916 624 HG13 ILE 6 HG11 ILE 6 4.304 2.394 -7.528 625 HG21 ILE 6 HG21 ILE 6 3.784 5.218 -8.741 626 HG22 ILE 6 HG22 ILE 6 4.103 6.076 -7.233 627 HG23 ILE 6 HG23 ILE 6 3.171 4.579 -7.215 628 HD11 ILE 6 HD11 ILE 6 3.855 3.398 -9.710 629 HD12 ILE 6 HD12 ILE 6 4.646 1.828 -9.850 630 HD13 ILE 6 HD13 ILE 6 5.573 3.310 -10.095 631 H PHE 7 HN PHE 7 5.678 7.341 -8.879 632 HA PHE 7 HA PHE 7 6.622 8.550 -6.367 633 HB2 PHE 7 HB2 PHE 7 8.071 9.212 -8.287 634 HB3 PHE 7 HB1 PHE 7 6.655 9.896 -9.080 635 HD1 PHE 7 HD2 PHE 7 8.803 10.176 -6.078 636 HD2 PHE 7 HD1 PHE 7 5.932 12.072 -8.580 637 HE1 PHE 7 HE2 PHE 7 9.185 12.302 -4.901 638 HE2 PHE 7 HE1 PHE 7 6.310 14.201 -7.407 639 HZ PHE 7 HZ PHE 7 7.939 14.317 -5.564 640 H TYR 8 HN TYR 8 4.817 8.891 -5.251 641 HA TYR 8 HA TYR 8 2.409 9.781 -6.649 642 HB2 TYR 8 HB2 TYR 8 2.901 8.873 -3.809 643 HB3 TYR 8 HB1 TYR 8 1.375 9.584 -4.325 644 HD1 TYR 8 HD1 TYR 8 0.287 8.443 -6.438 645 HD2 TYR 8 HD2 TYR 8 3.121 6.570 -3.881 646 HE1 TYR 8 HE1 TYR 8 -0.514 6.240 -7.181 647 HE2 TYR 8 HE2 TYR 8 2.332 4.359 -4.617 648 HH TYR 8 HH TYR 8 0.320 3.347 -5.603 649 H HIS 9 HN HIS 9 1.749 11.835 -6.660 650 HA HIS 9 HA HIS 9 2.842 13.649 -4.630 651 HB2 HIS 9 HB2 HIS 9 3.331 15.364 -6.256 652 HB3 HIS 9 HB1 HIS 9 4.169 13.893 -6.726 653 HD2 HIS 9 HD2 HIS 9 2.599 12.425 -8.799 654 HE1 HIS 9 HE1 HIS 9 1.287 16.120 -10.384 655 HE2 HIS 9 HE2 HIS 9 1.764 13.684 -10.908 656 H ALA 10 HN ALA 10 1.614 15.652 -4.412 657 HA ALA 10 HA ALA 10 -1.218 15.246 -5.102 658 HB1 ALA 10 HB1 ALA 10 -1.786 16.395 -3.026 659 HB2 ALA 10 HB2 ALA 10 -0.073 16.593 -2.657 660 HB3 ALA 10 HB3 ALA 10 -0.784 14.979 -2.713 661 H GLY 11 HN GLY 11 1.228 16.918 -6.207 662 HA2 GLY 11 HA2 GLY 11 1.360 18.865 -7.436 663 HA3 GLY 11 HA1 GLY 11 -0.346 19.132 -7.106 664 H CYS 12 HN CYS 12 2.058 18.669 -4.625 665 HA CYS 12 HA CYS 12 1.444 21.316 -3.551 666 HB2 CYS 12 HB2 CYS 12 3.071 19.084 -2.305 667 HB3 CYS 12 HB1 CYS 12 2.415 20.499 -1.490 668 HG CYS 12 HG CYS 12 -0.194 19.720 -1.529 669 HA PRO 13 HA PRO 13 5.369 23.206 -4.522 670 HB2 PRO 13 HB2 PRO 13 6.266 23.986 -2.010 671 HB3 PRO 13 HB1 PRO 13 5.162 24.913 -3.030 672 HG2 PRO 13 HG2 PRO 13 4.554 23.101 -0.735 673 HG3 PRO 13 HG1 PRO 13 3.800 24.644 -1.179 674 HD2 PRO 13 HD2 PRO 13 2.592 22.310 -1.684 675 HD3 PRO 13 HD1 PRO 13 2.484 23.667 -2.825 676 H VAL 14 HN VAL 14 5.272 20.942 -1.845 677 HA VAL 14 HA VAL 14 7.997 20.303 -1.668 678 HB VAL 14 HB VAL 14 5.628 18.492 -1.149 679 HG11 VAL 14 HG11 VAL 14 7.138 17.309 0.386 680 HG12 VAL 14 HG12 VAL 14 8.466 18.346 -0.136 681 HG13 VAL 14 HG13 VAL 14 7.706 17.242 -1.282 682 HG21 VAL 14 HG21 VAL 14 7.089 20.348 0.724 683 HG22 VAL 14 HG22 VAL 14 5.815 19.218 1.182 684 HG23 VAL 14 HG23 VAL 14 5.451 20.570 0.108 685 H CYS 15 HN CYS 15 5.463 19.219 -3.837 686 HA CYS 15 HA CYS 15 6.809 16.948 -4.873 687 HB2 CYS 15 HB2 CYS 15 4.702 18.621 -6.256 688 HB3 CYS 15 HB1 CYS 15 5.105 16.938 -6.583 689 HG CYS 15 HG CYS 15 4.381 16.858 -3.499 690 H VAL 16 HN VAL 16 6.569 20.320 -5.888 691 HA VAL 16 HA VAL 16 7.787 20.146 -8.378 692 HB VAL 16 HB VAL 16 7.999 22.462 -6.447 693 HG11 VAL 16 HG11 VAL 16 8.183 22.367 -9.455 694 HG12 VAL 16 HG12 VAL 16 9.520 22.645 -8.338 695 HG13 VAL 16 HG13 VAL 16 8.217 23.827 -8.467 696 HG21 VAL 16 HG21 VAL 16 5.989 23.329 -7.564 697 HG22 VAL 16 HG22 VAL 16 5.680 21.807 -6.726 698 HG23 VAL 16 HG23 VAL 16 5.865 21.827 -8.480 699 H SER 17 HN SER 17 9.306 21.013 -5.268 700 HA SER 17 HA SER 17 11.928 21.145 -6.276 701 HB2 SER 17 HB2 SER 17 11.052 20.559 -3.438 702 HB3 SER 17 HB1 SER 17 12.619 21.194 -3.944 703 HG SER 17 HG SER 17 11.723 23.110 -4.418 704 H ALA 18 HN ALA 18 10.041 18.484 -4.947 705 HA ALA 18 HA ALA 18 12.145 16.614 -4.714 706 HB1 ALA 18 HB1 ALA 18 9.965 16.298 -3.639 707 HB2 ALA 18 HB2 ALA 18 10.399 14.916 -4.646 708 HB3 ALA 18 HB3 ALA 18 9.217 16.091 -5.223 709 H GLU 19 HN GLU 19 9.938 17.422 -7.360 710 HA GLU 19 HA GLU 19 10.820 15.468 -9.179 711 HB2 GLU 19 HB2 GLU 19 9.672 18.219 -9.668 712 HB3 GLU 19 HB1 GLU 19 9.936 17.026 -10.931 713 HG2 GLU 19 HG2 GLU 19 8.351 15.528 -9.896 714 HG3 GLU 19 HG1 GLU 19 8.135 16.648 -8.549 715 H GLN 20 HN GLN 20 11.828 18.831 -8.701 716 HA GLN 20 HA GLN 20 13.615 18.993 -10.841 717 HB2 GLN 20 HB2 GLN 20 13.657 20.479 -8.214 718 HB3 GLN 20 HB1 GLN 20 14.572 20.933 -9.645 719 HG2 GLN 20 HG2 GLN 20 12.519 21.309 -10.872 720 HG3 GLN 20 HG1 GLN 20 11.573 20.784 -9.480 721 HE21 GLN 20 HE21 GLN 20 11.568 23.332 -10.899 722 HE22 GLN 20 HE22 GLN 20 11.911 24.537 -9.705 723 H ALA 21 HN ALA 21 14.102 17.763 -7.587 724 HA ALA 21 HA ALA 21 16.962 17.448 -8.168 725 HB1 ALA 21 HB1 ALA 21 17.274 17.128 -5.783 726 HB2 ALA 21 HB2 ALA 21 15.531 17.210 -5.529 727 HB3 ALA 21 HB3 ALA 21 16.407 18.629 -6.103 728 H VAL 22 HN VAL 22 14.510 15.551 -6.389 729 HA VAL 22 HA VAL 22 16.054 13.185 -6.507 730 HB VAL 22 HB VAL 22 13.096 13.435 -5.943 731 HG11 VAL 22 HG11 VAL 22 15.066 11.272 -5.209 732 HG12 VAL 22 HG12 VAL 22 13.786 11.145 -6.415 733 HG13 VAL 22 HG13 VAL 22 13.376 11.340 -4.711 734 HG21 VAL 22 HG21 VAL 22 15.451 13.547 -4.061 735 HG22 VAL 22 HG22 VAL 22 13.756 13.483 -3.574 736 HG23 VAL 22 HG23 VAL 22 14.365 14.877 -4.463 737 H ALA 23 HN ALA 23 13.166 14.220 -8.320 738 HA ALA 23 HA ALA 23 12.996 11.761 -9.770 739 HB1 ALA 23 HB1 ALA 23 11.042 13.206 -9.312 740 HB2 ALA 23 HB2 ALA 23 11.221 12.793 -11.016 741 HB3 ALA 23 HB3 ALA 23 11.692 14.392 -10.444 742 H ASN 24 HN ASN 24 15.008 14.460 -10.096 743 HA ASN 24 HA ASN 24 15.486 13.914 -12.936 744 HB2 ASN 24 HB2 ASN 24 16.313 16.148 -11.106 745 HB3 ASN 24 HB1 ASN 24 17.199 15.851 -12.598 746 HD21 ASN 24 HD21 ASN 24 13.752 15.333 -12.239 747 HD22 ASN 24 HD22 ASN 24 13.259 16.625 -13.280 748 H ALA 25 HN ALA 25 16.823 13.425 -9.787 749 HA ALA 25 HA ALA 25 19.458 12.728 -10.591 750 HB1 ALA 25 HB1 ALA 25 18.918 13.367 -8.289 751 HB2 ALA 25 HB2 ALA 25 19.684 11.780 -8.357 752 HB3 ALA 25 HB3 ALA 25 17.941 11.909 -8.113 753 H ILE 26 HN ILE 26 16.445 10.983 -10.267 754 HA ILE 26 HA ILE 26 17.752 8.474 -11.004 755 HB ILE 26 HB ILE 26 14.852 8.982 -10.316 756 HG12 ILE 26 HG12 ILE 26 17.073 7.795 -8.632 757 HG13 ILE 26 HG11 ILE 26 16.384 9.402 -8.418 758 HG21 ILE 26 HG21 ILE 26 14.713 6.540 -10.101 759 HG22 ILE 26 HG22 ILE 26 16.387 6.403 -10.639 760 HG23 ILE 26 HG23 ILE 26 15.155 7.027 -11.736 761 HD11 ILE 26 HD11 ILE 26 14.914 6.795 -8.102 762 HD12 ILE 26 HD12 ILE 26 14.226 8.405 -7.879 763 HD13 ILE 26 HD13 ILE 26 15.495 7.830 -6.797 764 H ASP 27 HN ASP 27 18.102 8.272 -13.106 765 HA ASP 27 HA ASP 27 16.632 9.634 -15.120 766 HB2 ASP 27 HB2 ASP 27 18.487 7.260 -15.416 767 HB3 ASP 27 HB1 ASP 27 17.974 8.343 -16.704 768 HA PRO 28 HA PRO 28 13.212 6.769 -15.661 769 HB2 PRO 28 HB2 PRO 28 13.229 7.922 -18.396 770 HB3 PRO 28 HB1 PRO 28 11.905 7.804 -17.233 771 HG2 PRO 28 HG2 PRO 28 13.098 10.140 -17.715 772 HG3 PRO 28 HG1 PRO 28 12.574 9.700 -16.078 773 HD2 PRO 28 HD2 PRO 28 15.320 9.676 -17.264 774 HD3 PRO 28 HD1 PRO 28 14.799 10.144 -15.631 775 H SER 29 HN SER 29 15.933 7.114 -17.876 776 HA SER 29 HA SER 29 15.470 4.609 -19.204 777 HB2 SER 29 HB2 SER 29 16.731 6.507 -20.238 778 HB3 SER 29 HB1 SER 29 18.021 6.242 -19.068 779 HG SER 29 HG SER 29 17.232 3.990 -20.480 780 H LYS 30 HN LYS 30 16.800 5.567 -16.225 781 HA LYS 30 HA LYS 30 18.454 3.185 -15.937 782 HB2 LYS 30 HB2 LYS 30 19.326 5.338 -15.128 783 HB3 LYS 30 HB1 LYS 30 17.957 5.486 -14.036 784 HG2 LYS 30 HG2 LYS 30 18.696 3.483 -12.845 785 HG3 LYS 30 HG1 LYS 30 20.076 3.354 -13.937 786 HD2 LYS 30 HD2 LYS 30 20.898 5.515 -13.182 787 HD3 LYS 30 HD1 LYS 30 19.499 5.691 -12.123 788 HE2 LYS 30 HE2 LYS 30 21.460 4.948 -10.877 789 HE3 LYS 30 HE1 LYS 30 20.188 3.727 -10.859 790 HZ1 LYS 30 HZ1 LYS 30 22.418 2.808 -11.249 791 HZ2 LYS 30 HZ2 LYS 30 22.527 3.694 -12.688 792 HZ3 LYS 30 HZ3 LYS 30 21.351 2.481 -12.525 793 H TYR 31 HN TYR 31 15.580 4.690 -14.527 794 HA TYR 31 HA TYR 31 14.617 2.024 -13.810 795 HB2 TYR 31 HB2 TYR 31 14.757 4.364 -11.896 796 HB3 TYR 31 HB1 TYR 31 13.705 2.976 -11.640 797 HD1 TYR 31 HD2 TYR 31 14.848 0.658 -11.573 798 HD2 TYR 31 HD1 TYR 31 16.944 4.328 -11.096 799 HE1 TYR 31 HE2 TYR 31 16.692 -0.545 -10.479 800 HE2 TYR 31 HE1 TYR 31 18.795 3.136 -10.001 801 HH TYR 31 HH TYR 31 19.177 1.041 -8.788 802 H THR 32 HN THR 32 12.377 1.821 -13.932 803 HA THR 32 HA THR 32 11.099 3.781 -15.601 804 HB THR 32 HB THR 32 9.859 1.333 -14.321 805 HG1 THR 32 HG1 THR 32 11.733 1.574 -16.284 806 HG21 THR 32 HG21 THR 32 9.097 2.925 -16.776 807 HG22 THR 32 HG22 THR 32 8.241 2.932 -15.234 808 HG23 THR 32 HG23 THR 32 8.294 1.462 -16.207 809 H VAL 33 HN VAL 33 10.825 5.646 -14.442 810 HA VAL 33 HA VAL 33 9.606 5.572 -11.812 811 HB VAL 33 HB VAL 33 10.424 7.971 -13.465 812 HG11 VAL 33 HG11 VAL 33 8.781 8.525 -11.761 813 HG12 VAL 33 HG12 VAL 33 10.362 9.170 -11.319 814 HG13 VAL 33 HG13 VAL 33 9.753 7.714 -10.533 815 HG21 VAL 33 HG21 VAL 33 12.342 6.555 -12.993 816 HG22 VAL 33 HG22 VAL 33 11.919 6.523 -11.281 817 HG23 VAL 33 HG23 VAL 33 12.419 8.036 -12.038 818 H GLU 34 HN GLU 34 7.491 5.359 -11.680 819 HA GLU 34 HA GLU 34 5.794 6.604 -13.733 820 HB2 GLU 34 HB2 GLU 34 5.550 4.154 -13.402 821 HB3 GLU 34 HB1 GLU 34 5.092 4.447 -11.731 822 HG2 GLU 34 HG2 GLU 34 3.106 5.606 -12.429 823 HG3 GLU 34 HG1 GLU 34 3.588 5.485 -14.121 824 H ILE 35 HN ILE 35 5.163 8.555 -13.144 825 HA ILE 35 HA ILE 35 4.828 9.178 -10.308 826 HB ILE 35 HB ILE 35 4.822 11.044 -12.690 827 HG12 ILE 35 HG12 ILE 35 7.015 10.466 -10.681 828 HG13 ILE 35 HG11 ILE 35 6.994 9.895 -12.347 829 HG21 ILE 35 HG21 ILE 35 3.602 11.940 -10.786 830 HG22 ILE 35 HG22 ILE 35 5.122 12.808 -11.011 831 HG23 ILE 35 HG23 ILE 35 4.975 11.604 -9.731 832 HD11 ILE 35 HD11 ILE 35 7.088 12.196 -13.139 833 HD12 ILE 35 HD12 ILE 35 8.447 11.824 -12.079 834 HD13 ILE 35 HD13 ILE 35 7.089 12.773 -11.472 835 H VAL 36 HN VAL 36 2.881 9.273 -9.415 836 HA VAL 36 HA VAL 36 0.531 9.578 -11.172 837 HB VAL 36 HB VAL 36 0.690 7.749 -8.766 838 HG11 VAL 36 HG11 VAL 36 -1.490 8.133 -10.815 839 HG12 VAL 36 HG12 VAL 36 -1.536 8.667 -9.134 840 HG13 VAL 36 HG13 VAL 36 -1.496 6.944 -9.513 841 HG21 VAL 36 HG21 VAL 36 0.651 7.044 -11.700 842 HG22 VAL 36 HG22 VAL 36 0.573 5.899 -10.362 843 HG23 VAL 36 HG23 VAL 36 2.026 6.868 -10.608 844 H HIS 37 HN HIS 37 -0.912 11.064 -10.533 845 HA HIS 37 HA HIS 37 -0.391 12.607 -8.162 846 HB2 HIS 37 HB2 HIS 37 -1.166 13.608 -10.328 847 HB3 HIS 37 HB1 HIS 37 -2.724 12.829 -10.075 848 HD2 HIS 37 HD2 HIS 37 -0.588 15.747 -8.603 849 HE1 HIS 37 HE1 HIS 37 -4.566 16.068 -7.204 850 HE2 HIS 37 HE2 HIS 37 -2.351 17.266 -7.458 851 H LEU 38 HN LEU 38 -1.204 12.235 -6.231 852 HA LEU 38 HA LEU 38 -3.631 10.575 -5.991 853 HB2 LEU 38 HB2 LEU 38 -1.533 9.351 -5.424 854 HB3 LEU 38 HB1 LEU 38 -1.214 10.535 -4.173 855 HG LEU 38 HG LEU 38 -3.284 9.829 -3.010 856 HD11 LEU 38 HD11 LEU 38 -4.392 7.760 -3.699 857 HD12 LEU 38 HD12 LEU 38 -3.377 7.697 -5.139 858 HD13 LEU 38 HD13 LEU 38 -4.533 9.012 -4.934 859 HD21 LEU 38 HD21 LEU 38 -2.420 7.685 -2.217 860 HD22 LEU 38 HD22 LEU 38 -1.127 8.873 -2.393 861 HD23 LEU 38 HD23 LEU 38 -1.334 7.607 -3.603 862 H GLY 39 HN GLY 39 -2.985 13.557 -5.913 863 HA2 GLY 39 HA2 GLY 39 -3.627 14.206 -3.135 864 HA3 GLY 39 HA1 GLY 39 -3.156 15.348 -4.382 865 H THR 40 HN THR 40 -5.416 13.383 -5.731 866 HA THR 40 HA THR 40 -7.711 14.871 -4.700 867 HB THR 40 HB THR 40 -7.147 14.712 -7.667 868 HG1 THR 40 HG1 THR 40 -6.419 16.566 -5.701 869 HG21 THR 40 HG21 THR 40 -9.524 14.897 -7.088 870 HG22 THR 40 HG22 THR 40 -8.936 16.387 -7.828 871 HG23 THR 40 HG23 THR 40 -9.174 16.303 -6.083 872 H ASP 41 HN ASP 41 -6.416 12.017 -6.177 873 HA ASP 41 HA ASP 41 -9.045 10.939 -6.770 874 HB2 ASP 41 HB2 ASP 41 -7.161 10.531 -8.337 875 HB3 ASP 41 HB1 ASP 41 -6.342 9.616 -7.072 876 H LYS 42 HN LYS 42 -10.187 9.966 -5.277 877 HA LYS 42 HA LYS 42 -8.900 9.059 -2.838 878 HB2 LYS 42 HB2 LYS 42 -11.819 9.276 -3.576 879 HB3 LYS 42 HB1 LYS 42 -11.212 8.805 -1.993 880 HG2 LYS 42 HG2 LYS 42 -10.106 10.984 -1.781 881 HG3 LYS 42 HG1 LYS 42 -10.761 11.456 -3.347 882 HD2 LYS 42 HD2 LYS 42 -13.032 11.200 -2.476 883 HD3 LYS 42 HD1 LYS 42 -12.376 10.724 -0.907 884 HE2 LYS 42 HE2 LYS 42 -11.275 12.903 -0.714 885 HE3 LYS 42 HE1 LYS 42 -11.940 13.377 -2.276 886 HZ1 LYS 42 HZ1 LYS 42 -13.438 12.803 0.222 887 HZ2 LYS 42 HZ2 LYS 42 -14.182 13.021 -1.291 888 HZ3 LYS 42 HZ3 LYS 42 -13.307 14.293 -0.586 889 H ALA 43 HN ALA 43 -9.807 7.676 -5.764 890 HA ALA 43 HA ALA 43 -10.710 5.144 -4.792 891 HB1 ALA 43 HB1 ALA 43 -10.491 4.396 -7.101 892 HB2 ALA 43 HB2 ALA 43 -9.628 5.878 -7.510 893 HB3 ALA 43 HB3 ALA 43 -11.320 5.950 -7.018 894 H ARG 44 HN ARG 44 -7.624 6.414 -5.977 895 HA ARG 44 HA ARG 44 -6.269 3.907 -5.799 896 HB2 ARG 44 HB2 ARG 44 -5.222 6.725 -6.020 897 HB3 ARG 44 HB1 ARG 44 -4.208 5.291 -6.097 898 HG2 ARG 44 HG2 ARG 44 -5.309 4.548 -8.089 899 HG3 ARG 44 HG1 ARG 44 -6.485 5.860 -7.974 900 HD2 ARG 44 HD2 ARG 44 -4.608 7.476 -8.193 901 HD3 ARG 44 HD1 ARG 44 -3.525 6.111 -8.471 902 HE ARG 44 HE ARG 44 -5.021 5.606 -10.434 903 HH11 ARG 44 HH11 ARG 44 -4.630 8.857 -9.195 904 HH12 ARG 44 HH12 ARG 44 -5.036 9.619 -10.699 905 HH21 ARG 44 HH21 ARG 44 -5.527 6.589 -12.416 906 HH22 ARG 44 HH22 ARG 44 -5.518 8.328 -12.547 907 H ILE 45 HN ILE 45 -7.326 5.932 -3.372 908 HA ILE 45 HA ILE 45 -5.173 5.902 -1.561 909 HB ILE 45 HB ILE 45 -8.144 5.901 -0.996 910 HG12 ILE 45 HG12 ILE 45 -6.112 8.146 -1.065 911 HG13 ILE 45 HG11 ILE 45 -7.340 7.835 -2.289 912 HG21 ILE 45 HG21 ILE 45 -6.942 5.108 0.957 913 HG22 ILE 45 HG22 ILE 45 -7.543 6.741 1.238 914 HG23 ILE 45 HG23 ILE 45 -5.839 6.481 0.864 915 HD11 ILE 45 HD11 ILE 45 -7.849 8.601 0.575 916 HD12 ILE 45 HD12 ILE 45 -9.087 8.270 -0.636 917 HD13 ILE 45 HD13 ILE 45 -8.006 9.649 -0.834 918 H ALA 46 HN ALA 46 -7.811 3.606 -2.114 919 HA ALA 46 HA ALA 46 -7.078 1.793 -0.069 920 HB1 ALA 46 HB1 ALA 46 -9.307 1.816 -1.078 921 HB2 ALA 46 HB2 ALA 46 -8.566 0.219 -1.184 922 HB3 ALA 46 HB3 ALA 46 -8.621 1.263 -2.606 923 H GLU 47 HN GLU 47 -6.187 2.102 -3.460 924 HA GLU 47 HA GLU 47 -4.771 -0.350 -3.653 925 HB2 GLU 47 HB2 GLU 47 -4.447 2.186 -5.270 926 HB3 GLU 47 HB1 GLU 47 -3.820 0.603 -5.709 927 HG2 GLU 47 HG2 GLU 47 -6.079 -0.265 -5.896 928 HG3 GLU 47 HG1 GLU 47 -6.731 1.296 -5.397 929 H ALA 48 HN ALA 48 -3.747 3.004 -3.117 930 HA ALA 48 HA ALA 48 -0.993 2.553 -2.930 931 HB1 ALA 48 HB1 ALA 48 -1.999 4.778 -3.179 932 HB2 ALA 48 HB2 ALA 48 -0.881 4.715 -1.819 933 HB3 ALA 48 HB3 ALA 48 -2.620 4.676 -1.532 934 H GLU 49 HN GLU 49 -3.528 2.444 -0.471 935 HA GLU 49 HA GLU 49 -1.893 2.082 1.775 936 HB2 GLU 49 HB2 GLU 49 -4.320 2.591 1.854 937 HB3 GLU 49 HB1 GLU 49 -4.661 0.958 1.302 938 HG2 GLU 49 HG2 GLU 49 -3.527 0.093 3.328 939 HG3 GLU 49 HG1 GLU 49 -3.358 1.756 3.890 940 H LYS 50 HN LYS 50 -3.186 -0.218 -0.565 941 HA LYS 50 HA LYS 50 -2.215 -2.528 0.835 942 HB2 LYS 50 HB2 LYS 50 -3.150 -2.242 -2.026 943 HB3 LYS 50 HB1 LYS 50 -2.857 -3.764 -1.196 944 HG2 LYS 50 HG2 LYS 50 -4.628 -3.137 0.436 945 HG3 LYS 50 HG1 LYS 50 -4.981 -1.729 -0.568 946 HD2 LYS 50 HD2 LYS 50 -5.349 -3.309 -2.481 947 HD3 LYS 50 HD1 LYS 50 -5.223 -4.635 -1.325 948 HE2 LYS 50 HE2 LYS 50 -7.266 -2.420 -1.342 949 HE3 LYS 50 HE1 LYS 50 -7.546 -4.125 -1.689 950 HZ1 LYS 50 HZ1 LYS 50 -6.886 -4.618 0.622 951 HZ2 LYS 50 HZ2 LYS 50 -8.262 -3.632 0.526 952 HZ3 LYS 50 HZ3 LYS 50 -6.761 -2.954 0.928 953 H ALA 51 HN ALA 51 -0.829 -0.204 -1.209 954 HA ALA 51 HA ALA 51 1.355 -1.950 -2.042 955 HB1 ALA 51 HB1 ALA 51 2.126 -0.050 -3.354 956 HB2 ALA 51 HB2 ALA 51 0.880 0.969 -2.634 957 HB3 ALA 51 HB3 ALA 51 0.423 -0.379 -3.675 958 H GLY 52 HN GLY 52 0.564 -0.155 0.627 959 HA2 GLY 52 HA2 GLY 52 1.916 0.011 2.542 960 HA3 GLY 52 HA1 GLY 52 3.337 -0.203 1.532 961 H VAL 53 HN VAL 53 1.201 2.061 0.242 962 HA VAL 53 HA VAL 53 3.038 4.216 0.912 963 HB VAL 53 HB VAL 53 0.580 4.319 -0.843 964 HG11 VAL 53 HG11 VAL 53 1.657 6.298 -1.811 965 HG12 VAL 53 HG12 VAL 53 2.971 6.146 -0.644 966 HG13 VAL 53 HG13 VAL 53 1.335 6.504 -0.089 967 HG21 VAL 53 HG21 VAL 53 2.102 4.058 -2.738 968 HG22 VAL 53 HG22 VAL 53 2.136 2.645 -1.682 969 HG23 VAL 53 HG23 VAL 53 3.449 3.821 -1.624 970 H LYS 54 HN LYS 54 2.709 5.335 2.727 971 HA LYS 54 HA LYS 54 -0.048 5.540 3.728 972 HB2 LYS 54 HB2 LYS 54 2.569 5.623 5.237 973 HB3 LYS 54 HB1 LYS 54 0.990 5.880 5.967 974 HG2 LYS 54 HG2 LYS 54 0.317 3.622 5.320 975 HG3 LYS 54 HG1 LYS 54 1.895 3.364 4.579 976 HD2 LYS 54 HD2 LYS 54 2.972 3.647 6.752 977 HD3 LYS 54 HD1 LYS 54 1.399 3.938 7.500 978 HE2 LYS 54 HE2 LYS 54 0.675 1.694 6.867 979 HE3 LYS 54 HE1 LYS 54 2.231 1.404 6.092 980 HZ1 LYS 54 HZ1 LYS 54 1.830 1.948 8.989 981 HZ2 LYS 54 HZ2 LYS 54 3.313 1.618 8.231 982 HZ3 LYS 54 HZ3 LYS 54 2.119 0.420 8.302 983 H SER 55 HN SER 55 2.336 7.359 2.262 984 HA SER 55 HA SER 55 0.799 9.754 2.858 985 HB2 SER 55 HB2 SER 55 3.800 9.644 3.259 986 HB3 SER 55 HB1 SER 55 2.803 11.096 3.362 987 HG SER 55 HG SER 55 1.815 9.129 4.931 988 H VAL 56 HN VAL 56 1.071 11.436 1.312 989 HA VAL 56 HA VAL 56 2.002 10.498 -1.283 990 HB VAL 56 HB VAL 56 0.963 13.261 -1.084 991 HG11 VAL 56 HG11 VAL 56 -0.305 12.545 -3.060 992 HG12 VAL 56 HG12 VAL 56 0.277 10.895 -2.829 993 HG13 VAL 56 HG13 VAL 56 1.414 12.184 -3.223 994 HG21 VAL 56 HG21 VAL 56 -0.447 12.189 0.593 995 HG22 VAL 56 HG22 VAL 56 -0.856 10.915 -0.557 996 HG23 VAL 56 HG23 VAL 56 -1.364 12.576 -0.862 997 HA PRO 57 HA PRO 57 4.925 13.016 -3.191 998 HB2 PRO 57 HB2 PRO 57 5.494 14.684 -0.759 999 HB3 PRO 57 HB1 PRO 57 5.917 14.996 -2.451 1000 HG2 PRO 57 HG2 PRO 57 3.582 15.883 -1.173 1001 HG3 PRO 57 HG1 PRO 57 3.840 15.817 -2.924 1002 HD2 PRO 57 HD2 PRO 57 1.937 14.322 -1.494 1003 HD3 PRO 57 HD1 PRO 57 2.502 13.964 -3.144 1004 H ALA 58 HN ALA 58 5.476 10.869 -2.973 1005 HA ALA 58 HA ALA 58 7.705 10.346 -1.179 1006 HB1 ALA 58 HB1 ALA 58 5.255 8.586 -1.256 1007 HB2 ALA 58 HB2 ALA 58 5.751 9.606 0.093 1008 HB3 ALA 58 HB3 ALA 58 6.751 8.236 -0.391 1009 H LEU 59 HN LEU 59 8.982 8.557 -1.840 1010 HA LEU 59 HA LEU 59 8.581 7.808 -4.656 1011 HB2 LEU 59 HB2 LEU 59 10.655 9.033 -4.155 1012 HB3 LEU 59 HB1 LEU 59 11.096 7.808 -2.983 1013 HG LEU 59 HG LEU 59 11.202 6.141 -4.823 1014 HD11 LEU 59 HD11 LEU 59 9.678 7.220 -6.388 1015 HD12 LEU 59 HD12 LEU 59 11.250 6.931 -7.134 1016 HD13 LEU 59 HD13 LEU 59 10.816 8.552 -6.593 1017 HD21 LEU 59 HD21 LEU 59 13.303 6.971 -5.770 1018 HD22 LEU 59 HD22 LEU 59 13.215 7.245 -4.031 1019 HD23 LEU 59 HD23 LEU 59 12.942 8.581 -5.148 1020 H VAL 60 HN VAL 60 7.713 5.868 -4.878 1021 HA VAL 60 HA VAL 60 8.153 3.845 -2.792 1022 HB VAL 60 HB VAL 60 6.084 3.827 -4.997 1023 HG11 VAL 60 HG11 VAL 60 6.314 2.221 -2.456 1024 HG12 VAL 60 HG12 VAL 60 6.583 1.627 -4.095 1025 HG13 VAL 60 HG13 VAL 60 4.973 2.149 -3.599 1026 HG21 VAL 60 HG21 VAL 60 4.475 4.545 -3.301 1027 HG22 VAL 60 HG22 VAL 60 5.735 5.754 -3.547 1028 HG23 VAL 60 HG23 VAL 60 5.782 4.707 -2.129 1029 H ILE 61 HN ILE 61 10.046 2.879 -3.357 1030 HA ILE 61 HA ILE 61 10.511 2.103 -6.132 1031 HB ILE 61 HB ILE 61 12.299 1.744 -3.718 1032 HG12 ILE 61 HG12 ILE 61 12.401 3.837 -5.904 1033 HG13 ILE 61 HG11 ILE 61 11.852 4.121 -4.256 1034 HG21 ILE 61 HG21 ILE 61 12.884 1.473 -6.665 1035 HG22 ILE 61 HG22 ILE 61 12.796 0.156 -5.494 1036 HG23 ILE 61 HG23 ILE 61 14.075 1.364 -5.369 1037 HD11 ILE 61 HD11 ILE 61 14.124 4.906 -4.578 1038 HD12 ILE 61 HD12 ILE 61 14.626 3.288 -5.071 1039 HD13 ILE 61 HD13 ILE 61 14.078 3.578 -3.420 1040 H ASP 62 HN ASP 62 9.596 0.272 -6.770 1041 HA ASP 62 HA ASP 62 8.898 -1.883 -6.865 1042 HB2 ASP 62 HB2 ASP 62 11.390 -2.073 -5.218 1043 HB3 ASP 62 HB1 ASP 62 10.403 -3.509 -5.460 1044 H GLY 63 HN GLY 63 7.653 -0.198 -4.852 1045 HA2 GLY 63 HA2 GLY 63 5.729 -0.876 -3.611 1046 HA3 GLY 63 HA1 GLY 63 6.546 -2.385 -3.234 1047 H ALA 64 HN ALA 64 8.984 -0.496 -2.670 1048 HA ALA 64 HA ALA 64 8.340 -0.188 0.149 1049 HB1 ALA 64 HB1 ALA 64 10.720 0.306 0.429 1050 HB2 ALA 64 HB2 ALA 64 10.937 0.269 -1.320 1051 HB3 ALA 64 HB3 ALA 64 10.478 -1.199 -0.458 1052 H ALA 65 HN ALA 65 7.388 1.620 0.792 1053 HA ALA 65 HA ALA 65 7.474 3.988 -0.854 1054 HB1 ALA 65 HB1 ALA 65 5.372 3.244 0.162 1055 HB2 ALA 65 HB2 ALA 65 5.807 4.876 0.672 1056 HB3 ALA 65 HB3 ALA 65 6.059 3.515 1.764 1057 H PHE 66 HN PHE 66 9.198 5.249 -0.722 1058 HA PHE 66 HA PHE 66 10.231 5.924 1.946 1059 HB2 PHE 66 HB2 PHE 66 11.502 6.291 -0.779 1060 HB3 PHE 66 HB1 PHE 66 12.221 6.793 0.748 1061 HD1 PHE 66 HD1 PHE 66 12.742 5.027 2.472 1062 HD2 PHE 66 HD2 PHE 66 11.740 4.099 -1.556 1063 HE1 PHE 66 HE1 PHE 66 13.728 2.789 2.749 1064 HE2 PHE 66 HE2 PHE 66 12.721 1.861 -1.289 1065 HZ PHE 66 HZ PHE 66 13.716 1.202 0.865 1066 H HIS 67 HN HIS 67 8.939 7.501 2.639 1067 HA HIS 67 HA HIS 67 7.773 9.451 0.917 1068 HB2 HIS 67 HB2 HIS 67 7.935 9.433 3.942 1069 HB3 HIS 67 HB1 HIS 67 6.833 10.397 2.964 1070 HD1 HIS 67 HD1 HIS 67 7.189 7.070 4.527 1071 HD2 HIS 67 HD2 HIS 67 4.823 8.848 1.613 1072 HE1 HIS 67 HE1 HIS 67 5.205 5.537 4.193 1073 H ILE 68 HN ILE 68 8.457 11.448 0.399 1074 HA ILE 68 HA ILE 68 11.190 12.103 1.195 1075 HB ILE 68 HB ILE 68 9.472 13.303 -0.984 1076 HG12 ILE 68 HG12 ILE 68 10.026 10.963 -1.437 1077 HG13 ILE 68 HG11 ILE 68 10.909 12.027 -2.524 1078 HG21 ILE 68 HG21 ILE 68 11.148 14.873 -0.180 1079 HG22 ILE 68 HG22 ILE 68 11.556 14.303 -1.798 1080 HG23 ILE 68 HG23 ILE 68 12.408 13.658 -0.396 1081 HD11 ILE 68 HD11 ILE 68 12.311 10.211 -1.735 1082 HD12 ILE 68 HD12 ILE 68 12.026 10.699 -0.065 1083 HD13 ILE 68 HD13 ILE 68 12.913 11.764 -1.157 1084 H ASN 69 HN ASN 69 11.409 13.346 2.894 1085 HA ASN 69 HA ASN 69 11.210 15.038 4.391 1086 HB2 ASN 69 HB2 ASN 69 9.754 16.361 2.094 1087 HB3 ASN 69 HB1 ASN 69 10.050 17.170 3.627 1088 HD21 ASN 69 HD21 ASN 69 10.999 17.802 0.926 1089 HD22 ASN 69 HD22 ASN 69 12.723 17.839 1.039 1090 H PHE 70 HN PHE 70 8.142 15.788 2.931 1091 HA PHE 70 HA PHE 70 6.449 14.160 4.415 1092 HB2 PHE 70 HB2 PHE 70 7.313 15.498 6.352 1093 HB3 PHE 70 HB1 PHE 70 6.676 16.949 5.586 1094 HD1 PHE 70 HD1 PHE 70 5.636 13.613 6.856 1095 HD2 PHE 70 HD2 PHE 70 4.497 17.629 6.020 1096 HE1 PHE 70 HE1 PHE 70 3.466 13.222 7.946 1097 HE2 PHE 70 HE2 PHE 70 2.324 17.242 7.108 1098 HZ PHE 70 HZ PHE 70 1.806 15.036 8.071 1099 H GLY 71 HN GLY 71 5.522 14.104 2.364 1100 HA2 GLY 71 HA2 GLY 71 4.708 16.509 1.032 1101 HA3 GLY 71 HA1 GLY 71 4.335 14.863 0.538 1102 H ALA 72 HN ALA 72 2.536 13.790 1.490 1103 HA ALA 72 HA ALA 72 0.766 15.498 3.098 1104 HB1 ALA 72 HB1 ALA 72 0.041 15.808 0.776 1105 HB2 ALA 72 HB2 ALA 72 -1.182 14.974 1.734 1106 HB3 ALA 72 HB3 ALA 72 -0.170 14.065 0.612 1107 H GLY 73 HN GLY 73 -0.845 14.267 4.312 1108 HA2 GLY 73 HA2 GLY 73 0.160 11.564 4.838 1109 HA3 GLY 73 HA1 GLY 73 -0.892 12.501 5.892 1110 H ILE 74 HN ILE 74 -1.081 9.722 4.641 1111 HA ILE 74 HA ILE 74 -3.274 9.775 2.851 1112 HB ILE 74 HB ILE 74 -1.768 7.785 3.255 1113 HG12 ILE 74 HG12 ILE 74 -4.737 7.249 3.500 1114 HG13 ILE 74 HG11 ILE 74 -3.907 7.648 2.000 1115 HG21 ILE 74 HG21 ILE 74 -1.776 7.793 5.685 1116 HG22 ILE 74 HG22 ILE 74 -2.363 6.247 5.073 1117 HG23 ILE 74 HG23 ILE 74 -3.504 7.439 5.698 1118 HD11 ILE 74 HD11 ILE 74 -4.312 5.267 2.167 1119 HD12 ILE 74 HD12 ILE 74 -3.427 5.207 3.692 1120 HD13 ILE 74 HD13 ILE 74 -2.582 5.605 2.197 1121 H ASP 75 HN ASP 75 -2.962 10.146 6.243 1122 HA ASP 75 HA ASP 75 -5.578 9.492 7.067 1123 HB2 ASP 75 HB2 ASP 75 -3.699 9.703 8.636 1124 HB3 ASP 75 HB1 ASP 75 -3.607 11.429 8.298 1125 H ASP 76 HN ASP 76 -4.165 12.352 5.642 1126 HA ASP 76 HA ASP 76 -6.180 14.215 6.242 1127 HB2 ASP 76 HB2 ASP 76 -4.282 14.018 3.898 1128 HB3 ASP 76 HB1 ASP 76 -5.396 15.361 4.107 1129 H LEU 77 HN LEU 77 -6.008 11.643 3.913 1130 HA LEU 77 HA LEU 77 -8.446 12.598 2.583 1131 HB2 LEU 77 HB2 LEU 77 -6.472 10.473 1.744 1132 HB3 LEU 77 HB1 LEU 77 -7.869 10.981 0.817 1133 HG LEU 77 HG LEU 77 -5.506 12.731 1.503 1134 HD11 LEU 77 HD11 LEU 77 -4.971 12.561 -0.880 1135 HD12 LEU 77 HD12 LEU 77 -6.292 11.412 -1.093 1136 HD13 LEU 77 HD13 LEU 77 -4.909 10.988 -0.084 1137 HD21 LEU 77 HD21 LEU 77 -7.882 13.243 -0.285 1138 HD22 LEU 77 HD22 LEU 77 -6.501 14.317 -0.064 1139 HD23 LEU 77 HD23 LEU 77 -7.589 13.992 1.285 1140 H LYS 78 HN LYS 78 -7.652 10.641 5.086 1141 HA LYS 78 HA LYS 78 -9.369 8.403 4.379 1142 HB2 LYS 78 HB2 LYS 78 -7.482 8.972 6.616 1143 HB3 LYS 78 HB1 LYS 78 -8.751 7.781 6.865 1144 HG2 LYS 78 HG2 LYS 78 -7.957 6.537 4.912 1145 HG3 LYS 78 HG1 LYS 78 -6.666 7.721 4.697 1146 HD2 LYS 78 HD2 LYS 78 -5.636 7.106 6.738 1147 HD3 LYS 78 HD1 LYS 78 -7.046 6.175 7.248 1148 HE2 LYS 78 HE2 LYS 78 -5.239 5.514 4.926 1149 HE3 LYS 78 HE1 LYS 78 -5.226 4.723 6.502 1150 HZ1 LYS 78 HZ1 LYS 78 -6.469 3.414 4.919 1151 HZ2 LYS 78 HZ2 LYS 78 -7.486 4.726 4.569 1152 HZ3 LYS 78 HZ3 LYS 78 -7.522 4.017 6.106 1153 H GLY 79 HN GLY 79 -9.828 11.425 5.701 1154 HA2 GLY 79 HA2 GLY 79 -11.859 10.734 7.617 1155 HA3 GLY 79 HA1 GLY 79 -11.510 12.345 7.003 1156 H SER 80 HN SER 80 -12.318 12.906 4.906 1157 HA SER 80 HA SER 80 -14.318 11.194 3.707 1158 HB2 SER 80 HB2 SER 80 -15.034 13.951 4.752 1159 HB3 SER 80 HB1 SER 80 -16.085 12.909 3.793 1160 HG SER 80 HG SER 80 -15.182 11.512 5.878 Start of MODEL 18 1 H1 VAL 1 HT1 VAL 1 32.112 13.971 -14.735 2 H2 VAL 1 HT2 VAL 1 30.497 13.466 -14.806 3 H3 VAL 1 HT3 VAL 1 31.472 12.998 -13.506 4 HA VAL 1 HA VAL 1 31.692 15.311 -12.825 5 HB VAL 1 HB VAL 1 30.123 16.966 -13.754 6 HG11 VAL 1 HG11 VAL 1 31.982 15.736 -15.784 7 HG12 VAL 1 HG12 VAL 1 32.405 16.939 -14.566 8 HG13 VAL 1 HG13 VAL 1 31.304 17.361 -15.877 9 HG21 VAL 1 HG21 VAL 1 29.000 16.542 -15.896 10 HG22 VAL 1 HG22 VAL 1 28.419 15.461 -14.629 11 HG23 VAL 1 HG23 VAL 1 29.549 14.866 -15.845 12 H ALA 2 HN ALA 2 30.361 15.986 -11.144 13 HA ALA 2 HA ALA 2 27.703 14.985 -10.792 14 HB1 ALA 2 HB1 ALA 2 28.217 13.495 -8.886 15 HB2 ALA 2 HB2 ALA 2 29.933 13.674 -9.239 16 HB3 ALA 2 HB3 ALA 2 28.869 12.896 -10.410 17 H SER 3 HN SER 3 26.709 15.837 -8.920 18 HA SER 3 HA SER 3 28.313 17.810 -7.462 19 HB2 SER 3 HB2 SER 3 26.060 18.694 -6.722 20 HB3 SER 3 HB1 SER 3 26.385 18.834 -8.447 21 HG SER 3 HG SER 3 24.250 17.955 -7.648 22 H LYS 4 HN LYS 4 27.457 18.048 -5.064 23 HA LYS 4 HA LYS 4 28.025 15.419 -3.966 24 HB2 LYS 4 HB2 LYS 4 29.355 17.321 -3.197 25 HB3 LYS 4 HB1 LYS 4 27.899 18.115 -2.606 26 HG2 LYS 4 HG2 LYS 4 27.567 16.410 -0.955 27 HG3 LYS 4 HG1 LYS 4 28.897 15.457 -1.613 28 HD2 LYS 4 HD2 LYS 4 30.456 17.275 -1.017 29 HD3 LYS 4 HD1 LYS 4 29.109 18.167 -0.301 30 HE2 LYS 4 HE2 LYS 4 28.734 16.376 1.290 31 HE3 LYS 4 HE1 LYS 4 30.009 15.416 0.543 32 HZ1 LYS 4 HZ1 LYS 4 31.601 17.145 1.193 33 HZ2 LYS 4 HZ2 LYS 4 30.821 16.456 2.527 34 HZ3 LYS 4 HZ3 LYS 4 30.361 17.998 1.979 35 H ALA 5 HN ALA 5 26.682 14.163 -2.915 36 HA ALA 5 HA ALA 5 24.150 15.283 -1.904 37 HB1 ALA 5 HB1 ALA 5 23.105 13.112 -2.324 38 HB2 ALA 5 HB2 ALA 5 24.620 12.503 -2.989 39 HB3 ALA 5 HB3 ALA 5 23.751 13.797 -3.814 40 H ILE 6 HN ILE 6 24.106 15.255 0.263 41 HA ILE 6 HA ILE 6 26.027 13.498 1.641 42 HB ILE 6 HB ILE 6 24.690 15.818 2.986 43 HG12 ILE 6 HG12 ILE 6 27.193 16.026 1.291 44 HG13 ILE 6 HG11 ILE 6 25.618 16.664 0.830 45 HG21 ILE 6 HG21 ILE 6 27.407 14.536 3.267 46 HG22 ILE 6 HG22 ILE 6 26.013 14.246 4.308 47 HG23 ILE 6 HG23 ILE 6 26.770 15.839 4.271 48 HD11 ILE 6 HD11 ILE 6 27.243 17.528 3.210 49 HD12 ILE 6 HD12 ILE 6 25.666 18.171 2.749 50 HD13 ILE 6 HD13 ILE 6 27.059 18.411 1.694 51 H PHE 7 HN PHE 7 25.143 11.745 2.536 52 HA PHE 7 HA PHE 7 22.319 11.841 3.321 53 HB2 PHE 7 HB2 PHE 7 23.028 10.023 1.805 54 HB3 PHE 7 HB1 PHE 7 24.159 9.454 3.028 55 HD1 PHE 7 HD1 PHE 7 20.655 10.622 3.434 56 HD2 PHE 7 HD2 PHE 7 23.368 7.350 3.607 57 HE1 PHE 7 HE1 PHE 7 18.880 9.207 4.379 58 HE2 PHE 7 HE2 PHE 7 21.599 5.928 4.558 59 HZ PHE 7 HZ PHE 7 19.350 6.857 4.944 60 H TYR 8 HN TYR 8 21.974 12.428 5.345 61 HA TYR 8 HA TYR 8 23.933 11.727 7.417 62 HB2 TYR 8 HB2 TYR 8 21.665 13.723 7.361 63 HB3 TYR 8 HB1 TYR 8 22.564 13.335 8.821 64 HD1 TYR 8 HD1 TYR 8 24.995 13.891 8.944 65 HD2 TYR 8 HD2 TYR 8 22.530 15.232 5.748 66 HE1 TYR 8 HE1 TYR 8 26.661 15.610 8.391 67 HE2 TYR 8 HE2 TYR 8 24.192 16.955 5.183 68 HH TYR 8 HH TYR 8 27.341 16.964 6.456 69 H HIS 9 HN HIS 9 23.521 10.120 8.799 70 HA HIS 9 HA HIS 9 20.833 9.771 9.793 71 HB2 HIS 9 HB2 HIS 9 20.689 7.380 9.385 72 HB3 HIS 9 HB1 HIS 9 20.824 8.250 7.866 73 HD2 HIS 9 HD2 HIS 9 22.984 7.619 6.319 74 HE1 HIS 9 HE1 HIS 9 24.512 4.670 8.935 75 HE2 HIS 9 HE2 HIS 9 24.445 5.485 6.532 76 H ALA 10 HN ALA 10 20.939 7.787 11.463 77 HA ALA 10 HA ALA 10 23.404 8.205 13.025 78 HB1 ALA 10 HB1 ALA 10 20.587 8.196 14.106 79 HB2 ALA 10 HB2 ALA 10 21.611 9.618 13.902 80 HB3 ALA 10 HB3 ALA 10 22.063 8.363 15.055 81 H GLY 11 HN GLY 11 22.308 5.945 11.309 82 HA2 GLY 11 HA2 GLY 11 22.554 3.655 11.383 83 HA3 GLY 11 HA1 GLY 11 23.180 3.828 13.014 84 H CYS 12 HN CYS 12 20.193 3.762 11.138 85 HA CYS 12 HA CYS 12 18.895 2.353 13.354 86 HB2 CYS 12 HB2 CYS 12 17.608 4.596 11.772 87 HB3 CYS 12 HB1 CYS 12 16.848 3.660 13.054 88 HG CYS 12 HG CYS 12 18.732 4.631 15.003 89 HA PRO 13 HA PRO 13 17.403 -0.564 10.371 90 HB2 PRO 13 HB2 PRO 13 14.625 -0.343 10.790 91 HB3 PRO 13 HB1 PRO 13 15.723 -1.472 11.587 92 HG2 PRO 13 HG2 PRO 13 14.661 1.138 12.546 93 HG3 PRO 13 HG1 PRO 13 15.046 -0.328 13.465 94 HD2 PRO 13 HD2 PRO 13 16.645 1.814 13.539 95 HD3 PRO 13 HD1 PRO 13 17.317 0.168 13.538 96 H VAL 14 HN VAL 14 15.426 2.379 10.548 97 HA VAL 14 HA VAL 14 14.455 2.317 7.906 98 HB VAL 14 HB VAL 14 14.933 4.728 9.674 99 HG11 VAL 14 HG11 VAL 14 13.214 5.809 8.308 100 HG12 VAL 14 HG12 VAL 14 13.139 4.381 7.276 101 HG13 VAL 14 HG13 VAL 14 14.615 5.345 7.343 102 HG21 VAL 14 HG21 VAL 14 13.513 3.086 10.770 103 HG22 VAL 14 HG22 VAL 14 12.479 3.004 9.343 104 HG23 VAL 14 HG23 VAL 14 12.568 4.492 10.284 105 H CYS 15 HN CYS 15 17.332 3.777 9.340 106 HA CYS 15 HA CYS 15 18.210 5.219 7.100 107 HB2 CYS 15 HB2 CYS 15 19.932 3.969 9.247 108 HB3 CYS 15 HB1 CYS 15 20.347 5.341 8.224 109 HG CYS 15 HG CYS 15 18.041 6.795 9.365 110 H VAL 16 HN VAL 16 18.799 1.905 8.163 111 HA VAL 16 HA VAL 16 20.685 1.170 6.231 112 HB VAL 16 HB VAL 16 18.573 -0.577 7.513 113 HG11 VAL 16 HG11 VAL 16 20.092 -2.430 7.031 114 HG12 VAL 16 HG12 VAL 16 21.188 -1.323 6.206 115 HG13 VAL 16 HG13 VAL 16 19.579 -1.623 5.548 116 HG21 VAL 16 HG21 VAL 16 20.344 -1.159 9.120 117 HG22 VAL 16 HG22 VAL 16 19.917 0.551 9.187 118 HG23 VAL 16 HG23 VAL 16 21.399 0.042 8.376 119 H SER 17 HN SER 17 17.140 0.938 6.196 120 HA SER 17 HA SER 17 16.889 -0.254 3.666 121 HB2 SER 17 HB2 SER 17 14.935 1.628 5.009 122 HB3 SER 17 HB1 SER 17 14.562 0.425 3.775 123 HG SER 17 HG SER 17 15.801 -0.850 5.709 124 H ALA 18 HN ALA 18 17.002 3.140 4.660 125 HA ALA 18 HA ALA 18 16.505 4.219 2.087 126 HB1 ALA 18 HB1 ALA 18 16.163 5.491 4.152 127 HB2 ALA 18 HB2 ALA 18 17.237 6.334 3.038 128 HB3 ALA 18 HB3 ALA 18 17.904 5.491 4.437 129 H GLU 19 HN GLU 19 19.442 3.319 3.809 130 HA GLU 19 HA GLU 19 21.216 4.572 1.965 131 HB2 GLU 19 HB2 GLU 19 21.721 4.052 4.373 132 HB3 GLU 19 HB1 GLU 19 21.853 2.359 3.918 133 HG2 GLU 19 HG2 GLU 19 23.703 2.871 2.442 134 HG3 GLU 19 HG1 GLU 19 23.546 4.588 2.813 135 H GLN 20 HN GLN 20 20.074 1.233 2.401 136 HA GLN 20 HA GLN 20 21.758 0.184 0.346 137 HB2 GLN 20 HB2 GLN 20 19.294 -0.972 1.656 138 HB3 GLN 20 HB1 GLN 20 20.313 -1.845 0.521 139 HG2 GLN 20 HG2 GLN 20 22.220 -1.524 2.074 140 HG3 GLN 20 HG1 GLN 20 21.100 -0.805 3.230 141 HE21 GLN 20 HE21 GLN 20 22.736 -3.201 3.466 142 HE22 GLN 20 HE22 GLN 20 21.640 -4.497 3.790 143 H ALA 21 HN ALA 21 18.498 1.487 0.397 144 HA ALA 21 HA ALA 21 18.089 0.592 -2.361 145 HB1 ALA 21 HB1 ALA 21 16.306 0.137 -0.750 146 HB2 ALA 21 HB2 ALA 21 15.763 1.188 -2.057 147 HB3 ALA 21 HB3 ALA 21 16.125 1.868 -0.471 148 H VAL 22 HN VAL 22 17.406 3.613 -0.558 149 HA VAL 22 HA VAL 22 17.079 5.078 -2.973 150 HB VAL 22 HB VAL 22 17.496 6.208 -0.204 151 HG11 VAL 22 HG11 VAL 22 16.238 8.131 -1.078 152 HG12 VAL 22 HG12 VAL 22 16.193 7.368 -2.667 153 HG13 VAL 22 HG13 VAL 22 17.735 7.862 -1.969 154 HG21 VAL 22 HG21 VAL 22 15.047 6.245 -0.037 155 HG22 VAL 22 HG22 VAL 22 15.671 4.602 -0.180 156 HG23 VAL 22 HG23 VAL 22 14.936 5.389 -1.576 157 H ALA 23 HN ALA 23 19.706 4.879 -0.590 158 HA ALA 23 HA ALA 23 21.298 6.861 -1.895 159 HB1 ALA 23 HB1 ALA 23 21.540 6.387 0.491 160 HB2 ALA 23 HB2 ALA 23 23.069 6.195 -0.368 161 HB3 ALA 23 HB3 ALA 23 22.141 4.773 0.110 162 H ASN 24 HN ASN 24 20.585 3.672 -2.690 163 HA ASN 24 HA ASN 24 23.014 3.414 -4.308 164 HB2 ASN 24 HB2 ASN 24 20.874 1.488 -3.492 165 HB3 ASN 24 HB1 ASN 24 21.790 1.179 -4.963 166 HD21 ASN 24 HD21 ASN 24 23.102 2.748 -2.114 167 HD22 ASN 24 HD22 ASN 24 24.193 1.475 -1.693 168 H ALA 25 HN ALA 25 19.635 4.128 -4.492 169 HA ALA 25 HA ALA 25 19.373 4.020 -7.316 170 HB1 ALA 25 HB1 ALA 25 17.892 5.724 -5.307 171 HB2 ALA 25 HB2 ALA 25 17.421 4.113 -5.850 172 HB3 ALA 25 HB3 ALA 25 17.413 5.463 -6.985 173 H ILE 26 HN ILE 26 20.447 6.449 -5.013 174 HA ILE 26 HA ILE 26 21.150 8.386 -7.015 175 HB ILE 26 HB ILE 26 22.280 8.137 -4.218 176 HG12 ILE 26 HG12 ILE 26 19.812 8.253 -4.153 177 HG13 ILE 26 HG11 ILE 26 20.557 9.703 -3.489 178 HG21 ILE 26 HG21 ILE 26 22.084 10.483 -6.101 179 HG22 ILE 26 HG22 ILE 26 23.551 9.605 -5.670 180 HG23 ILE 26 HG23 ILE 26 22.696 10.546 -4.448 181 HD11 ILE 26 HD11 ILE 26 19.369 9.431 -6.240 182 HD12 ILE 26 HD12 ILE 26 20.116 10.883 -5.572 183 HD13 ILE 26 HD13 ILE 26 18.634 10.246 -4.859 184 H ASP 27 HN ASP 27 22.387 7.349 -8.539 185 HA ASP 27 HA ASP 27 24.385 5.448 -7.957 186 HB2 ASP 27 HB2 ASP 27 23.130 5.840 -10.167 187 HB3 ASP 27 HB1 ASP 27 24.314 7.109 -10.469 188 HA PRO 28 HA PRO 28 27.596 8.174 -6.532 189 HB2 PRO 28 HB2 PRO 28 29.660 6.376 -6.787 190 HB3 PRO 28 HB1 PRO 28 28.541 6.417 -5.421 191 HG2 PRO 28 HG2 PRO 28 28.515 4.659 -7.841 192 HG3 PRO 28 HG1 PRO 28 28.189 4.241 -6.148 193 HD2 PRO 28 HD2 PRO 28 26.202 4.593 -7.920 194 HD3 PRO 28 HD1 PRO 28 26.033 5.086 -6.224 195 H SER 29 HN SER 29 27.513 6.630 -9.631 196 HA SER 29 HA SER 29 29.829 8.071 -10.638 197 HB2 SER 29 HB2 SER 29 27.831 6.565 -12.318 198 HB3 SER 29 HB1 SER 29 29.552 6.821 -12.615 199 HG SER 29 HG SER 29 28.265 4.990 -10.941 200 H LYS 30 HN LYS 30 26.550 8.611 -10.149 201 HA LYS 30 HA LYS 30 26.344 10.597 -12.304 202 HB2 LYS 30 HB2 LYS 30 24.614 8.743 -11.981 203 HB3 LYS 30 HB1 LYS 30 24.131 9.585 -10.519 204 HG2 LYS 30 HG2 LYS 30 23.518 11.540 -11.819 205 HG3 LYS 30 HG1 LYS 30 24.059 10.739 -13.298 206 HD2 LYS 30 HD2 LYS 30 22.399 8.944 -12.868 207 HD3 LYS 30 HD1 LYS 30 21.806 9.871 -11.489 208 HE2 LYS 30 HE2 LYS 30 21.242 11.725 -12.997 209 HE3 LYS 30 HE1 LYS 30 21.810 10.770 -14.368 210 HZ1 LYS 30 HZ1 LYS 30 20.115 9.099 -13.830 211 HZ2 LYS 30 HZ2 LYS 30 19.427 10.613 -14.183 212 HZ3 LYS 30 HZ3 LYS 30 19.545 10.089 -12.576 213 H TYR 31 HN TYR 31 26.058 10.126 -8.823 214 HA TYR 31 HA TYR 31 26.554 12.984 -8.442 215 HB2 TYR 31 HB2 TYR 31 24.365 11.415 -7.065 216 HB3 TYR 31 HB1 TYR 31 24.923 12.999 -6.533 217 HD1 TYR 31 HD1 TYR 31 24.706 14.947 -8.133 218 HD2 TYR 31 HD2 TYR 31 22.753 11.222 -8.777 219 HE1 TYR 31 HE1 TYR 31 23.168 16.033 -9.709 220 HE2 TYR 31 HE2 TYR 31 21.207 12.301 -10.356 221 HH TYR 31 HH TYR 31 20.334 14.569 -10.830 222 H THR 32 HN THR 32 27.693 13.479 -6.533 223 HA THR 32 HA THR 32 29.315 11.274 -5.590 224 HB THR 32 HB THR 32 29.459 14.183 -4.775 225 HG1 THR 32 HG1 THR 32 30.033 12.987 -7.137 226 HG21 THR 32 HG21 THR 32 31.787 13.640 -4.225 227 HG22 THR 32 HG22 THR 32 31.511 11.963 -4.695 228 HG23 THR 32 HG23 THR 32 30.667 12.638 -3.301 229 H VAL 33 HN VAL 33 28.114 10.029 -4.231 230 HA VAL 33 HA VAL 33 26.459 11.223 -2.187 231 HB VAL 33 HB VAL 33 27.109 8.293 -2.431 232 HG11 VAL 33 HG11 VAL 33 24.689 9.767 -1.395 233 HG12 VAL 33 HG12 VAL 33 25.924 8.971 -0.417 234 HG13 VAL 33 HG13 VAL 33 24.873 8.015 -1.464 235 HG21 VAL 33 HG21 VAL 33 25.175 8.054 -3.910 236 HG22 VAL 33 HG22 VAL 33 26.426 9.060 -4.640 237 HG23 VAL 33 HG23 VAL 33 24.986 9.806 -3.947 238 H GLU 34 HN GLU 34 27.235 11.851 -0.300 239 HA GLU 34 HA GLU 34 29.493 10.355 0.870 240 HB2 GLU 34 HB2 GLU 34 30.076 12.691 0.209 241 HB3 GLU 34 HB1 GLU 34 28.825 13.278 1.295 242 HG2 GLU 34 HG2 GLU 34 30.007 12.357 3.200 243 HG3 GLU 34 HG1 GLU 34 31.235 11.678 2.134 244 H ILE 35 HN ILE 35 28.809 9.163 2.512 245 HA ILE 35 HA ILE 35 26.302 9.860 3.836 246 HB ILE 35 HB ILE 35 27.924 7.319 4.069 247 HG12 ILE 35 HG12 ILE 35 25.458 7.857 2.399 248 HG13 ILE 35 HG11 ILE 35 27.095 7.777 1.757 249 HG21 ILE 35 HG21 ILE 35 26.449 7.701 5.962 250 HG22 ILE 35 HG22 ILE 35 25.841 6.376 4.968 251 HG23 ILE 35 HG23 ILE 35 25.090 7.969 4.870 252 HD11 ILE 35 HD11 ILE 35 25.897 5.706 1.374 253 HD12 ILE 35 HD12 ILE 35 25.611 5.533 3.105 254 HD13 ILE 35 HD13 ILE 35 27.255 5.447 2.470 255 H VAL 36 HN VAL 36 26.317 10.859 5.729 256 HA VAL 36 HA VAL 36 28.762 10.706 7.374 257 HB VAL 36 HB VAL 36 26.748 12.961 7.254 258 HG11 VAL 36 HG11 VAL 36 27.774 12.743 9.453 259 HG12 VAL 36 HG12 VAL 36 28.355 14.191 8.631 260 HG13 VAL 36 HG13 VAL 36 29.377 12.757 8.717 261 HG21 VAL 36 HG21 VAL 36 28.536 14.241 6.174 262 HG22 VAL 36 HG22 VAL 36 28.068 12.838 5.215 263 HG23 VAL 36 HG23 VAL 36 29.555 12.803 6.164 264 H HIS 37 HN HIS 37 28.574 9.818 9.310 265 HA HIS 37 HA HIS 37 25.918 9.083 10.278 266 HB2 HIS 37 HB2 HIS 37 27.909 7.466 10.075 267 HB3 HIS 37 HB1 HIS 37 28.568 8.289 11.482 268 HD2 HIS 37 HD2 HIS 37 26.061 5.562 10.571 269 HE1 HIS 37 HE1 HIS 37 25.743 6.276 14.728 270 HE2 HIS 37 HE2 HIS 37 25.271 4.636 12.862 271 H LEU 38 HN LEU 38 24.951 10.171 11.872 272 HA LEU 38 HA LEU 38 26.391 12.370 13.116 273 HB2 LEU 38 HB2 LEU 38 23.479 11.591 13.205 274 HB3 LEU 38 HB1 LEU 38 24.151 13.024 13.961 275 HG LEU 38 HG LEU 38 24.140 12.445 10.996 276 HD11 LEU 38 HD11 LEU 38 22.545 14.404 12.640 277 HD12 LEU 38 HD12 LEU 38 21.922 12.959 11.841 278 HD13 LEU 38 HD13 LEU 38 22.547 14.298 10.880 279 HD21 LEU 38 HD21 LEU 38 25.056 14.884 12.518 280 HD22 LEU 38 HD22 LEU 38 24.965 14.734 10.763 281 HD23 LEU 38 HD23 LEU 38 26.097 13.736 11.676 282 H GLY 39 HN GLY 39 25.929 9.194 13.864 283 HA2 GLY 39 HA2 GLY 39 25.589 9.592 16.733 284 HA3 GLY 39 HA1 GLY 39 25.715 8.047 15.902 285 H THR 40 HN THR 40 28.083 8.902 14.406 286 HA THR 40 HA THR 40 30.083 8.015 16.176 287 HB THR 40 HB THR 40 30.562 9.536 13.612 288 HG1 THR 40 HG1 THR 40 29.739 6.845 14.055 289 HG21 THR 40 HG21 THR 40 32.110 7.345 15.005 290 HG22 THR 40 HG22 THR 40 32.558 9.049 14.941 291 HG23 THR 40 HG23 THR 40 32.543 8.086 13.464 292 H ASP 41 HN ASP 41 29.286 11.256 14.938 293 HA ASP 41 HA ASP 41 30.932 12.373 17.102 294 HB2 ASP 41 HB2 ASP 41 31.023 13.037 14.192 295 HB3 ASP 41 HB1 ASP 41 31.281 14.329 15.358 296 H LYS 42 HN LYS 42 29.743 13.521 18.422 297 HA LYS 42 HA LYS 42 27.157 14.511 17.773 298 HB2 LYS 42 HB2 LYS 42 28.991 15.140 20.094 299 HB3 LYS 42 HB1 LYS 42 27.327 15.690 19.968 300 HG2 LYS 42 HG2 LYS 42 26.571 13.354 19.938 301 HG3 LYS 42 HG1 LYS 42 28.246 12.826 20.117 302 HD2 LYS 42 HD2 LYS 42 28.401 13.949 22.261 303 HD3 LYS 42 HD1 LYS 42 26.766 14.585 22.073 304 HE2 LYS 42 HE2 LYS 42 26.725 12.678 23.552 305 HE3 LYS 42 HE1 LYS 42 25.904 12.273 22.046 306 HZ1 LYS 42 HZ1 LYS 42 27.912 11.135 21.309 307 HZ2 LYS 42 HZ2 LYS 42 27.340 10.480 22.761 308 HZ3 LYS 42 HZ3 LYS 42 28.685 11.512 22.772 309 H ALA 43 HN ALA 43 30.376 15.764 17.530 310 HA ALA 43 HA ALA 43 29.794 18.520 17.349 311 HB1 ALA 43 HB1 ALA 43 31.963 18.724 16.249 312 HB2 ALA 43 HB2 ALA 43 32.018 16.977 16.014 313 HB3 ALA 43 HB3 ALA 43 32.066 17.648 17.645 314 H ARG 44 HN ARG 44 29.713 15.911 14.995 315 HA ARG 44 HA ARG 44 29.314 17.651 12.758 316 HB2 ARG 44 HB2 ARG 44 29.044 14.664 13.070 317 HB3 ARG 44 HB1 ARG 44 28.741 15.505 11.553 318 HG2 ARG 44 HG2 ARG 44 31.045 16.417 11.660 319 HG3 ARG 44 HG1 ARG 44 31.328 15.422 13.088 320 HD2 ARG 44 HD2 ARG 44 31.035 13.410 11.823 321 HD3 ARG 44 HD1 ARG 44 30.493 14.319 10.411 322 HE ARG 44 HE ARG 44 33.059 15.202 11.141 323 HH11 ARG 44 HH11 ARG 44 31.516 12.354 9.776 324 HH12 ARG 44 HH12 ARG 44 32.915 11.900 8.844 325 HH21 ARG 44 HH21 ARG 44 34.886 14.596 9.935 326 HH22 ARG 44 HH22 ARG 44 34.819 13.186 8.914 327 H ILE 45 HN ILE 45 27.300 16.485 15.214 328 HA ILE 45 HA ILE 45 24.810 16.533 13.858 329 HB ILE 45 HB ILE 45 25.491 17.045 16.758 330 HG12 ILE 45 HG12 ILE 45 24.306 14.631 15.365 331 HG13 ILE 45 HG11 ILE 45 25.962 14.769 15.942 332 HG21 ILE 45 HG21 ILE 45 22.768 16.663 15.515 333 HG22 ILE 45 HG22 ILE 45 23.396 18.163 16.199 334 HG23 ILE 45 HG23 ILE 45 23.110 16.771 17.243 335 HD11 ILE 45 HD11 ILE 45 23.485 14.804 17.650 336 HD12 ILE 45 HD12 ILE 45 25.142 14.955 18.236 337 HD13 ILE 45 HD13 ILE 45 24.612 13.459 17.467 338 H ALA 46 HN ALA 46 26.695 18.975 15.592 339 HA ALA 46 HA ALA 46 24.903 21.125 15.224 340 HB1 ALA 46 HB1 ALA 46 27.900 21.180 15.591 341 HB2 ALA 46 HB2 ALA 46 26.697 21.185 16.880 342 HB3 ALA 46 HB3 ALA 46 26.812 22.556 15.778 343 H GLU 47 HN GLU 47 27.546 19.825 13.291 344 HA GLU 47 HA GLU 47 27.581 21.805 11.293 345 HB2 GLU 47 HB2 GLU 47 28.274 18.870 11.185 346 HB3 GLU 47 HB1 GLU 47 28.536 19.976 9.844 347 HG2 GLU 47 HG2 GLU 47 30.012 21.324 11.277 348 HG3 GLU 47 HG1 GLU 47 29.789 20.150 12.574 349 H ALA 48 HN ALA 48 25.828 18.720 11.489 350 HA ALA 48 HA ALA 48 24.474 18.900 9.046 351 HB1 ALA 48 HB1 ALA 48 22.933 17.251 9.974 352 HB2 ALA 48 HB2 ALA 48 23.565 17.562 11.591 353 HB3 ALA 48 HB3 ALA 48 24.606 16.843 10.361 354 H GLU 49 HN GLU 49 23.576 20.009 12.275 355 HA GLU 49 HA GLU 49 21.016 20.953 11.802 356 HB2 GLU 49 HB2 GLU 49 22.030 20.853 14.019 357 HB3 GLU 49 HB1 GLU 49 23.179 22.105 13.572 358 HG2 GLU 49 HG2 GLU 49 21.269 23.659 13.260 359 HG3 GLU 49 HG1 GLU 49 20.206 22.401 13.894 360 H LYS 50 HN LYS 50 24.086 22.710 11.522 361 HA LYS 50 HA LYS 50 22.844 25.091 10.536 362 HB2 LYS 50 HB2 LYS 50 25.751 24.261 10.614 363 HB3 LYS 50 HB1 LYS 50 25.167 25.885 10.262 364 HG2 LYS 50 HG2 LYS 50 24.400 26.211 12.444 365 HG3 LYS 50 HG1 LYS 50 24.449 24.488 12.813 366 HD2 LYS 50 HD2 LYS 50 26.940 24.599 12.581 367 HD3 LYS 50 HD1 LYS 50 26.787 26.355 12.449 368 HE2 LYS 50 HE2 LYS 50 25.871 26.519 14.639 369 HE3 LYS 50 HE1 LYS 50 25.687 24.771 14.761 370 HZ1 LYS 50 HZ1 LYS 50 28.229 26.307 14.731 371 HZ2 LYS 50 HZ2 LYS 50 28.147 24.618 14.620 372 HZ3 LYS 50 HZ3 LYS 50 27.586 25.401 16.012 373 H ALA 51 HN ALA 51 23.696 22.167 9.096 374 HA ALA 51 HA ALA 51 24.145 23.269 6.451 375 HB1 ALA 51 HB1 ALA 51 24.318 20.944 5.726 376 HB2 ALA 51 HB2 ALA 51 23.811 20.401 7.325 377 HB3 ALA 51 HB3 ALA 51 25.346 21.247 7.127 378 H GLY 52 HN GLY 52 21.499 22.487 8.396 379 HA2 GLY 52 HA2 GLY 52 19.329 23.235 7.651 380 HA3 GLY 52 HA1 GLY 52 19.749 22.695 6.033 381 H VAL 53 HN VAL 53 20.659 20.525 8.511 382 HA VAL 53 HA VAL 53 18.699 18.609 7.638 383 HB VAL 53 HB VAL 53 20.783 18.443 9.825 384 HG11 VAL 53 HG11 VAL 53 20.349 16.042 9.847 385 HG12 VAL 53 HG12 VAL 53 19.048 16.258 8.677 386 HG13 VAL 53 HG13 VAL 53 18.902 16.946 10.294 387 HG21 VAL 53 HG21 VAL 53 21.980 17.018 8.242 388 HG22 VAL 53 HG22 VAL 53 21.695 18.621 7.562 389 HG23 VAL 53 HG23 VAL 53 20.701 17.257 7.053 390 H LYS 54 HN LYS 54 16.714 18.551 8.346 391 HA LYS 54 HA LYS 54 16.014 19.868 10.856 392 HB2 LYS 54 HB2 LYS 54 14.792 20.490 8.824 393 HB3 LYS 54 HB1 LYS 54 14.300 18.821 8.594 394 HG2 LYS 54 HG2 LYS 54 13.033 18.936 10.706 395 HG3 LYS 54 HG1 LYS 54 13.478 20.640 10.848 396 HD2 LYS 54 HD2 LYS 54 12.365 21.114 8.727 397 HD3 LYS 54 HD1 LYS 54 11.943 19.411 8.558 398 HE2 LYS 54 HE2 LYS 54 10.027 20.610 9.362 399 HE3 LYS 54 HE1 LYS 54 10.635 19.577 10.655 400 HZ1 LYS 54 HZ1 LYS 54 11.641 21.454 11.706 401 HZ2 LYS 54 HZ2 LYS 54 10.021 21.838 11.380 402 HZ3 LYS 54 HZ3 LYS 54 11.255 22.469 10.402 403 H SER 55 HN SER 55 16.024 16.723 9.324 404 HA SER 55 HA SER 55 15.534 15.447 11.879 405 HB2 SER 55 HB2 SER 55 13.713 14.917 9.516 406 HB3 SER 55 HB1 SER 55 13.648 14.110 11.082 407 HG SER 55 HG SER 55 13.561 16.758 11.462 408 H VAL 56 HN VAL 56 15.545 12.945 11.490 409 HA VAL 56 HA VAL 56 17.360 12.287 9.271 410 HB VAL 56 HB VAL 56 18.557 10.690 10.736 411 HG11 VAL 56 HG11 VAL 56 19.884 12.346 11.966 412 HG12 VAL 56 HG12 VAL 56 18.623 13.549 11.692 413 HG13 VAL 56 HG13 VAL 56 19.516 12.881 10.326 414 HG21 VAL 56 HG21 VAL 56 16.863 10.315 12.426 415 HG22 VAL 56 HG22 VAL 56 16.984 11.991 12.956 416 HG23 VAL 56 HG23 VAL 56 18.347 10.895 13.180 417 HA PRO 57 HA PRO 57 18.356 10.424 8.600 418 HB2 PRO 57 HB2 PRO 57 17.483 8.959 6.269 419 HB3 PRO 57 HB1 PRO 57 18.649 8.474 7.499 420 HG2 PRO 57 HG2 PRO 57 16.208 7.284 7.158 421 HG3 PRO 57 HG1 PRO 57 17.092 7.306 8.692 422 HD2 PRO 57 HD2 PRO 57 14.808 9.020 7.794 423 HD3 PRO 57 HD1 PRO 57 15.124 8.305 9.391 424 H ALA 58 HN ALA 58 19.166 11.733 6.956 425 HA ALA 58 HA ALA 58 17.176 13.012 5.202 426 HB1 ALA 58 HB1 ALA 58 19.295 14.467 6.780 427 HB2 ALA 58 HB2 ALA 58 17.564 14.483 7.116 428 HB3 ALA 58 HB3 ALA 58 18.179 15.194 5.624 429 H LEU 59 HN LEU 59 17.764 12.699 3.169 430 HA LEU 59 HA LEU 59 20.618 12.442 2.532 431 HB2 LEU 59 HB2 LEU 59 18.645 10.810 1.797 432 HB3 LEU 59 HB1 LEU 59 18.471 11.984 0.509 433 HG LEU 59 HG LEU 59 21.017 10.473 1.116 434 HD11 LEU 59 HD11 LEU 59 18.934 10.010 -1.013 435 HD12 LEU 59 HD12 LEU 59 19.296 8.953 0.352 436 HD13 LEU 59 HD13 LEU 59 20.497 9.199 -0.916 437 HD21 LEU 59 HD21 LEU 59 20.256 12.203 -1.236 438 HD22 LEU 59 HD22 LEU 59 21.750 11.280 -1.070 439 HD23 LEU 59 HD23 LEU 59 21.415 12.620 0.025 440 H VAL 60 HN VAL 60 21.426 14.422 2.271 441 HA VAL 60 HA VAL 60 19.906 16.571 1.098 442 HB VAL 60 HB VAL 60 22.847 16.473 1.805 443 HG11 VAL 60 HG11 VAL 60 21.016 18.823 1.345 444 HG12 VAL 60 HG12 VAL 60 22.294 18.275 0.259 445 HG13 VAL 60 HG13 VAL 60 22.703 18.910 1.853 446 HG21 VAL 60 HG21 VAL 60 21.486 16.004 3.762 447 HG22 VAL 60 HG22 VAL 60 20.500 17.429 3.439 448 HG23 VAL 60 HG23 VAL 60 22.197 17.613 3.882 449 H ILE 61 HN ILE 61 19.457 16.110 -1.017 450 HA ILE 61 HA ILE 61 21.582 15.147 -2.765 451 HB ILE 61 HB ILE 61 18.667 15.682 -3.375 452 HG12 ILE 61 HG12 ILE 61 20.125 13.071 -2.906 453 HG13 ILE 61 HG11 ILE 61 19.025 13.839 -1.767 454 HG21 ILE 61 HG21 ILE 61 20.056 15.871 -5.363 455 HG22 ILE 61 HG22 ILE 61 19.074 14.408 -5.433 456 HG23 ILE 61 HG23 ILE 61 20.787 14.303 -5.021 457 HD11 ILE 61 HD11 ILE 61 18.302 12.783 -4.491 458 HD12 ILE 61 HD12 ILE 61 17.194 13.565 -3.363 459 HD13 ILE 61 HD13 ILE 61 17.938 12.023 -2.941 460 H ASP 62 HN ASP 62 22.926 16.665 -3.469 461 HA ASP 62 HA ASP 62 23.687 18.334 -4.802 462 HB2 ASP 62 HB2 ASP 62 21.836 17.687 -6.319 463 HB3 ASP 62 HB1 ASP 62 20.778 18.820 -5.491 464 H GLY 63 HN GLY 63 21.874 18.750 -2.106 465 HA2 GLY 63 HA2 GLY 63 22.829 20.805 -0.875 466 HA3 GLY 63 HA1 GLY 63 22.030 21.686 -2.168 467 H ALA 64 HN ALA 64 19.788 19.753 -2.223 468 HA ALA 64 HA ALA 64 18.275 20.971 -0.050 469 HB1 ALA 64 HB1 ALA 64 16.304 20.119 -1.217 470 HB2 ALA 64 HB2 ALA 64 17.341 19.277 -2.368 471 HB3 ALA 64 HB3 ALA 64 17.340 21.041 -2.307 472 H ALA 65 HN ALA 65 17.679 19.921 1.740 473 HA ALA 65 HA ALA 65 18.608 17.226 2.157 474 HB1 ALA 65 HB1 ALA 65 18.838 18.912 3.915 475 HB2 ALA 65 HB2 ALA 65 17.867 17.542 4.458 476 HB3 ALA 65 HB3 ALA 65 17.083 19.056 4.008 477 H PHE 66 HN PHE 66 17.466 15.489 1.646 478 HA PHE 66 HA PHE 66 14.529 15.665 1.698 479 HB2 PHE 66 HB2 PHE 66 16.346 13.825 0.132 480 HB3 PHE 66 HB1 PHE 66 14.592 13.690 0.170 481 HD1 PHE 66 HD2 PHE 66 13.261 15.774 -0.541 482 HD2 PHE 66 HD1 PHE 66 17.368 15.164 -1.455 483 HE1 PHE 66 HE2 PHE 66 13.092 17.410 -2.367 484 HE2 PHE 66 HE1 PHE 66 17.208 16.802 -3.284 485 HZ PHE 66 HZ PHE 66 15.065 17.925 -3.740 486 H HIS 67 HN HIS 67 13.770 14.919 3.525 487 HA HIS 67 HA HIS 67 15.254 13.046 5.143 488 HB2 HIS 67 HB2 HIS 67 12.510 14.237 5.611 489 HB3 HIS 67 HB1 HIS 67 13.525 13.441 6.810 490 HD1 HIS 67 HD1 HIS 67 13.215 16.668 4.881 491 HD2 HIS 67 HD2 HIS 67 15.544 14.988 7.887 492 HE1 HIS 67 HE1 HIS 67 14.564 18.560 5.877 493 H ILE 68 HN ILE 68 15.162 10.941 4.696 494 HA ILE 68 HA ILE 68 12.857 9.855 3.281 495 HB ILE 68 HB ILE 68 15.416 8.443 4.052 496 HG12 ILE 68 HG12 ILE 68 14.703 9.724 1.403 497 HG13 ILE 68 HG11 ILE 68 15.781 10.447 2.594 498 HG21 ILE 68 HG21 ILE 68 13.551 6.947 3.550 499 HG22 ILE 68 HG22 ILE 68 14.781 6.863 2.289 500 HG23 ILE 68 HG23 ILE 68 13.295 7.769 2.010 501 HD11 ILE 68 HD11 ILE 68 17.018 9.359 0.810 502 HD12 ILE 68 HD12 ILE 68 16.224 7.828 1.181 503 HD13 ILE 68 HD13 ILE 68 17.309 8.567 2.358 504 H ASN 69 HN ASN 69 11.211 9.324 4.534 505 HA ASN 69 HA ASN 69 9.937 8.411 6.163 506 HB2 ASN 69 HB2 ASN 69 12.342 6.616 6.345 507 HB3 ASN 69 HB1 ASN 69 10.980 6.426 7.441 508 HD21 ASN 69 HD21 ASN 69 10.575 4.375 6.616 509 HD22 ASN 69 HD22 ASN 69 9.822 4.132 5.073 510 H PHE 70 HN PHE 70 9.648 10.058 7.535 511 HA PHE 70 HA PHE 70 11.590 11.140 9.247 512 HB2 PHE 70 HB2 PHE 70 9.625 12.414 8.607 513 HB3 PHE 70 HB1 PHE 70 8.570 11.249 9.396 514 HD1 PHE 70 HD2 PHE 70 11.340 13.624 10.118 515 HD2 PHE 70 HD1 PHE 70 7.888 11.606 11.573 516 HE1 PHE 70 HE2 PHE 70 11.453 14.936 12.194 517 HE2 PHE 70 HE1 PHE 70 7.995 12.916 13.653 518 HZ PHE 70 HZ PHE 70 9.779 14.584 13.965 519 H GLY 71 HN GLY 71 12.609 9.861 10.662 520 HA2 GLY 71 HA2 GLY 71 10.981 8.169 12.438 521 HA3 GLY 71 HA1 GLY 71 12.714 8.003 12.175 522 H ALA 72 HN ALA 72 13.725 10.437 12.582 523 HA ALA 72 HA ALA 72 12.679 11.405 15.142 524 HB1 ALA 72 HB1 ALA 72 14.881 11.362 16.172 525 HB2 ALA 72 HB2 ALA 72 15.568 10.644 14.714 526 HB3 ALA 72 HB3 ALA 72 14.402 9.737 15.679 527 H GLY 73 HN GLY 73 12.802 13.580 15.356 528 HA2 GLY 73 HA2 GLY 73 13.921 15.143 13.198 529 HA3 GLY 73 HA1 GLY 73 13.102 15.762 14.628 530 H ILE 74 HN ILE 74 15.409 17.006 13.696 531 HA ILE 74 HA ILE 74 17.697 15.978 15.089 532 HB ILE 74 HB ILE 74 17.824 17.403 13.012 533 HG12 ILE 74 HG12 ILE 74 19.389 18.461 15.377 534 HG13 ILE 74 HG11 ILE 74 19.751 16.951 14.550 535 HG21 ILE 74 HG21 ILE 74 16.184 19.088 13.637 536 HG22 ILE 74 HG22 ILE 74 17.744 19.831 13.281 537 HG23 ILE 74 HG23 ILE 74 17.224 19.630 14.955 538 HD11 ILE 74 HD11 ILE 74 19.809 19.689 13.307 539 HD12 ILE 74 HD12 ILE 74 20.200 18.171 12.498 540 HD13 ILE 74 HD13 ILE 74 21.212 18.751 13.822 541 H ASP 75 HN ASP 75 14.954 17.659 16.030 542 HA ASP 75 HA ASP 75 15.978 19.075 18.273 543 HB2 ASP 75 HB2 ASP 75 13.750 19.571 17.436 544 HB3 ASP 75 HB1 ASP 75 13.232 17.915 17.738 545 H ASP 76 HN ASP 76 14.680 15.833 17.783 546 HA ASP 76 HA ASP 76 14.968 14.954 20.476 547 HB2 ASP 76 HB2 ASP 76 14.837 13.322 17.924 548 HB3 ASP 76 HB1 ASP 76 14.604 12.702 19.554 549 H LEU 77 HN LEU 77 17.147 15.533 17.981 550 HA LEU 77 HA LEU 77 19.114 13.566 18.772 551 HB2 LEU 77 HB2 LEU 77 18.707 14.331 16.400 552 HB3 LEU 77 HB1 LEU 77 19.417 15.869 16.847 553 HG LEU 77 HG LEU 77 21.550 14.761 17.321 554 HD11 LEU 77 HD11 LEU 77 21.882 12.415 16.751 555 HD12 LEU 77 HD12 LEU 77 20.167 12.258 16.368 556 HD13 LEU 77 HD13 LEU 77 20.674 12.590 18.024 557 HD21 LEU 77 HD21 LEU 77 20.402 14.094 14.612 558 HD22 LEU 77 HD22 LEU 77 22.118 14.162 15.013 559 HD23 LEU 77 HD23 LEU 77 21.137 15.626 15.086 560 H LYS 78 HN LYS 78 18.118 16.526 19.902 561 HA LYS 78 HA LYS 78 20.721 16.998 21.202 562 HB2 LYS 78 HB2 LYS 78 18.691 19.032 20.266 563 HB3 LYS 78 HB1 LYS 78 19.998 19.414 21.373 564 HG2 LYS 78 HG2 LYS 78 21.598 18.643 19.604 565 HG3 LYS 78 HG1 LYS 78 20.220 18.539 18.506 566 HD2 LYS 78 HD2 LYS 78 20.951 21.036 20.024 567 HD3 LYS 78 HD1 LYS 78 21.533 20.686 18.396 568 HE2 LYS 78 HE2 LYS 78 18.602 20.656 19.038 569 HE3 LYS 78 HE1 LYS 78 19.438 22.165 18.674 570 HZ1 LYS 78 HZ1 LYS 78 19.316 19.791 16.895 571 HZ2 LYS 78 HZ2 LYS 78 20.118 21.247 16.551 572 HZ3 LYS 78 HZ3 LYS 78 18.430 21.223 16.694 573 H GLY 79 HN GLY 79 20.574 17.926 23.370 574 HA2 GLY 79 HA2 GLY 79 18.275 16.901 24.830 575 HA3 GLY 79 HA1 GLY 79 19.734 17.594 25.527 576 H SER 80 HN SER 80 17.225 18.745 23.291 577 HA SER 80 HA SER 80 17.244 21.339 24.601 578 HB2 SER 80 HB2 SER 80 15.702 20.387 22.172 579 HB3 SER 80 HB1 SER 80 15.835 22.056 22.727 580 HG SER 80 HG SER 80 17.603 22.179 21.624 581 H1 VAL 1 HT1 VAL 1 15.553 -1.216 -18.369 582 H2 VAL 1 HT2 VAL 1 15.479 -2.155 -19.778 583 H3 VAL 1 HT3 VAL 1 16.788 -2.320 -18.720 584 HA VAL 1 HA VAL 1 13.978 -3.077 -18.244 585 HB VAL 1 HB VAL 1 15.160 -4.726 -19.548 586 HG11 VAL 1 HG11 VAL 1 17.290 -4.680 -17.415 587 HG12 VAL 1 HG12 VAL 1 17.452 -4.101 -19.073 588 HG13 VAL 1 HG13 VAL 1 17.210 -5.819 -18.759 589 HG21 VAL 1 HG21 VAL 1 13.663 -5.591 -17.853 590 HG22 VAL 1 HG22 VAL 1 14.969 -5.588 -16.668 591 HG23 VAL 1 HG23 VAL 1 15.043 -6.671 -18.058 592 H ALA 2 HN ALA 2 13.332 -2.524 -16.293 593 HA ALA 2 HA ALA 2 14.987 -3.112 -13.981 594 HB1 ALA 2 HB1 ALA 2 15.725 -0.859 -14.596 595 HB2 ALA 2 HB2 ALA 2 14.853 -0.851 -13.062 596 HB3 ALA 2 HB3 ALA 2 14.055 -0.293 -14.532 597 H SER 3 HN SER 3 13.608 -1.967 -12.000 598 HA SER 3 HA SER 3 10.986 -3.205 -12.247 599 HB2 SER 3 HB2 SER 3 10.973 -2.770 -9.711 600 HB3 SER 3 HB1 SER 3 12.104 -3.973 -10.328 601 HG SER 3 HG SER 3 13.182 -2.639 -8.903 602 H LYS 4 HN LYS 4 9.341 -1.953 -10.655 603 HA LYS 4 HA LYS 4 8.884 0.519 -12.099 604 HB2 LYS 4 HB2 LYS 4 7.128 -1.267 -11.762 605 HB3 LYS 4 HB1 LYS 4 7.095 -0.814 -10.064 606 HG2 LYS 4 HG2 LYS 4 5.285 0.286 -11.124 607 HG3 LYS 4 HG1 LYS 4 6.512 1.509 -10.784 608 HD2 LYS 4 HD2 LYS 4 7.313 1.308 -13.114 609 HD3 LYS 4 HD1 LYS 4 6.025 0.150 -13.438 610 HE2 LYS 4 HE2 LYS 4 5.623 3.008 -12.566 611 HE3 LYS 4 HE1 LYS 4 5.486 2.425 -14.222 612 HZ1 LYS 4 HZ1 LYS 4 3.630 1.048 -13.577 613 HZ2 LYS 4 HZ2 LYS 4 3.331 2.654 -13.113 614 HZ3 LYS 4 HZ3 LYS 4 3.795 1.506 -11.952 615 H ALA 5 HN ALA 5 9.318 2.474 -11.295 616 HA ALA 5 HA ALA 5 9.387 2.803 -8.363 617 HB1 ALA 5 HB1 ALA 5 10.966 4.348 -10.422 618 HB2 ALA 5 HB2 ALA 5 11.608 3.089 -9.367 619 HB3 ALA 5 HB3 ALA 5 11.010 4.598 -8.676 620 H ILE 6 HN ILE 6 7.367 3.546 -7.970 621 HA ILE 6 HA ILE 6 6.285 5.624 -9.746 622 HB ILE 6 HB ILE 6 4.089 4.986 -8.495 623 HG12 ILE 6 HG12 ILE 6 5.798 2.526 -8.056 624 HG13 ILE 6 HG11 ILE 6 5.106 3.551 -6.805 625 HG21 ILE 6 HG21 ILE 6 4.514 4.654 -10.874 626 HG22 ILE 6 HG22 ILE 6 3.620 3.298 -10.186 627 HG23 ILE 6 HG23 ILE 6 5.345 3.140 -10.518 628 HD11 ILE 6 HD11 ILE 6 3.586 1.821 -8.740 629 HD12 ILE 6 HD12 ILE 6 2.859 2.887 -7.538 630 HD13 ILE 6 HD13 ILE 6 3.839 1.514 -7.022 631 H PHE 7 HN PHE 7 6.399 7.616 -9.037 632 HA PHE 7 HA PHE 7 6.632 8.158 -6.177 633 HB2 PHE 7 HB2 PHE 7 8.145 9.246 -7.885 634 HB3 PHE 7 HB1 PHE 7 6.739 10.116 -8.484 635 HD1 PHE 7 HD1 PHE 7 5.641 11.816 -7.058 636 HD2 PHE 7 HD2 PHE 7 9.265 9.909 -5.906 637 HE1 PHE 7 HE1 PHE 7 6.046 13.591 -5.404 638 HE2 PHE 7 HE2 PHE 7 9.673 11.677 -4.245 639 HZ PHE 7 HZ PHE 7 8.062 13.522 -3.993 640 H TYR 8 HN TYR 8 5.041 9.067 -4.980 641 HA TYR 8 HA TYR 8 2.568 9.828 -6.387 642 HB2 TYR 8 HB2 TYR 8 2.907 8.194 -3.878 643 HB3 TYR 8 HB1 TYR 8 1.390 8.995 -4.273 644 HD1 TYR 8 HD2 TYR 8 0.034 8.235 -6.140 645 HD2 TYR 8 HD1 TYR 8 3.658 6.255 -5.129 646 HE1 TYR 8 HE2 TYR 8 -0.632 6.324 -7.531 647 HE2 TYR 8 HE1 TYR 8 3.001 4.336 -6.520 648 HH TYR 8 HH TYR 8 0.937 3.329 -7.419 649 H HIS 9 HN HIS 9 1.997 11.859 -6.054 650 HA HIS 9 HA HIS 9 2.320 13.001 -3.399 651 HB2 HIS 9 HB2 HIS 9 3.364 15.042 -4.172 652 HB3 HIS 9 HB1 HIS 9 4.370 13.665 -4.592 653 HD2 HIS 9 HD2 HIS 9 4.804 13.269 -7.270 654 HE1 HIS 9 HE1 HIS 9 2.726 16.733 -8.516 655 HE2 HIS 9 HE2 HIS 9 4.541 15.064 -9.120 656 H ALA 10 HN ALA 10 1.236 15.211 -3.303 657 HA ALA 10 HA ALA 10 -1.206 15.110 -4.945 658 HB1 ALA 10 HB1 ALA 10 -2.460 15.903 -3.030 659 HB2 ALA 10 HB2 ALA 10 -0.984 15.984 -2.067 660 HB3 ALA 10 HB3 ALA 10 -1.594 14.423 -2.616 661 H GLY 11 HN GLY 11 1.337 16.659 -5.306 662 HA2 GLY 11 HA2 GLY 11 1.772 18.733 -6.233 663 HA3 GLY 11 HA1 GLY 11 0.080 19.142 -6.004 664 H CYS 12 HN CYS 12 2.082 18.073 -3.378 665 HA CYS 12 HA CYS 12 1.694 20.583 -1.990 666 HB2 CYS 12 HB2 CYS 12 3.353 18.262 -1.018 667 HB3 CYS 12 HB1 CYS 12 2.455 19.440 -0.067 668 HG CYS 12 HG CYS 12 -0.058 18.415 -0.724 669 HA PRO 13 HA PRO 13 5.568 22.483 -3.124 670 HB2 PRO 13 HB2 PRO 13 5.767 23.188 -0.238 671 HB3 PRO 13 HB1 PRO 13 5.870 24.231 -1.660 672 HG2 PRO 13 HG2 PRO 13 3.683 24.213 -0.140 673 HG3 PRO 13 HG1 PRO 13 3.569 24.352 -1.904 674 HD2 PRO 13 HD2 PRO 13 3.035 22.001 -0.144 675 HD3 PRO 13 HD1 PRO 13 2.214 22.507 -1.635 676 H VAL 14 HN VAL 14 5.371 20.591 -0.173 677 HA VAL 14 HA VAL 14 8.047 20.072 0.327 678 HB VAL 14 HB VAL 14 5.671 18.254 0.773 679 HG11 VAL 14 HG11 VAL 14 8.402 18.226 2.047 680 HG12 VAL 14 HG12 VAL 14 7.743 17.011 0.951 681 HG13 VAL 14 HG13 VAL 14 7.029 17.239 2.547 682 HG21 VAL 14 HG21 VAL 14 6.960 20.284 2.594 683 HG22 VAL 14 HG22 VAL 14 5.639 19.200 3.031 684 HG23 VAL 14 HG23 VAL 14 5.391 20.445 1.806 685 H CYS 15 HN CYS 15 5.786 18.322 -1.789 686 HA CYS 15 HA CYS 15 7.836 16.384 -2.455 687 HB2 CYS 15 HB2 CYS 15 5.984 15.421 -3.907 688 HB3 CYS 15 HB1 CYS 15 5.710 15.417 -2.169 689 HG CYS 15 HG CYS 15 4.524 18.124 -3.757 690 H VAL 16 HN VAL 16 6.910 19.405 -3.626 691 HA VAL 16 HA VAL 16 7.301 19.032 -6.403 692 HB VAL 16 HB VAL 16 7.729 21.508 -4.714 693 HG11 VAL 16 HG11 VAL 16 9.039 21.664 -6.763 694 HG12 VAL 16 HG12 VAL 16 7.658 22.759 -6.826 695 HG13 VAL 16 HG13 VAL 16 7.619 21.238 -7.719 696 HG21 VAL 16 HG21 VAL 16 5.446 20.683 -6.507 697 HG22 VAL 16 HG22 VAL 16 5.576 22.213 -5.638 698 HG23 VAL 16 HG23 VAL 16 5.424 20.701 -4.743 699 H SER 17 HN SER 17 9.524 20.169 -3.857 700 HA SER 17 HA SER 17 11.832 20.170 -5.466 701 HB2 SER 17 HB2 SER 17 11.633 19.757 -2.470 702 HB3 SER 17 HB1 SER 17 13.070 20.268 -3.358 703 HG SER 17 HG SER 17 11.933 22.157 -3.965 704 H ALA 18 HN ALA 18 10.238 17.663 -3.590 705 HA ALA 18 HA ALA 18 12.272 15.720 -3.685 706 HB1 ALA 18 HB1 ALA 18 9.286 15.304 -3.550 707 HB2 ALA 18 HB2 ALA 18 10.354 15.565 -2.170 708 HB3 ALA 18 HB3 ALA 18 10.521 14.110 -3.153 709 H GLU 19 HN GLU 19 9.407 16.175 -5.755 710 HA GLU 19 HA GLU 19 9.973 14.166 -7.616 711 HB2 GLU 19 HB2 GLU 19 7.807 15.280 -7.525 712 HB3 GLU 19 HB1 GLU 19 8.544 16.808 -7.984 713 HG2 GLU 19 HG2 GLU 19 9.222 15.717 -10.142 714 HG3 GLU 19 HG1 GLU 19 8.214 14.346 -9.676 715 H GLN 20 HN GLN 20 10.756 17.627 -7.687 716 HA GLN 20 HA GLN 20 11.911 17.678 -10.217 717 HB2 GLN 20 HB2 GLN 20 11.221 19.675 -8.938 718 HB3 GLN 20 HB1 GLN 20 12.589 19.439 -7.858 719 HG2 GLN 20 HG2 GLN 20 13.112 21.143 -9.463 720 HG3 GLN 20 HG1 GLN 20 14.111 19.723 -9.766 721 HE21 GLN 20 HE21 GLN 20 14.493 20.147 -11.887 722 HE22 GLN 20 HE22 GLN 20 13.265 20.094 -13.110 723 H ALA 21 HN ALA 21 13.418 17.007 -7.074 724 HA ALA 21 HA ALA 21 16.042 16.963 -8.330 725 HB1 ALA 21 HB1 ALA 21 15.763 18.066 -6.161 726 HB2 ALA 21 HB2 ALA 21 16.935 16.750 -6.096 727 HB3 ALA 21 HB3 ALA 21 15.312 16.519 -5.445 728 H VAL 22 HN VAL 22 13.976 14.687 -6.504 729 HA VAL 22 HA VAL 22 15.932 12.615 -6.634 730 HB VAL 22 HB VAL 22 13.001 12.327 -5.959 731 HG11 VAL 22 HG11 VAL 22 14.121 10.208 -6.444 732 HG12 VAL 22 HG12 VAL 22 13.720 10.337 -4.732 733 HG13 VAL 22 HG13 VAL 22 15.380 10.600 -5.271 734 HG21 VAL 22 HG21 VAL 22 15.356 12.921 -4.164 735 HG22 VAL 22 HG22 VAL 22 13.728 12.529 -3.610 736 HG23 VAL 22 HG23 VAL 22 14.015 14.005 -4.529 737 H ALA 23 HN ALA 23 13.018 13.357 -8.515 738 HA ALA 23 HA ALA 23 13.106 10.878 -9.958 739 HB1 ALA 23 HB1 ALA 23 11.353 11.836 -11.351 740 HB2 ALA 23 HB2 ALA 23 11.611 13.413 -10.604 741 HB3 ALA 23 HB3 ALA 23 11.002 12.069 -9.639 742 H ASN 24 HN ASN 24 14.830 13.787 -10.170 743 HA ASN 24 HA ASN 24 15.600 13.274 -12.945 744 HB2 ASN 24 HB2 ASN 24 16.178 15.572 -11.073 745 HB3 ASN 24 HB1 ASN 24 16.999 15.386 -12.620 746 HD21 ASN 24 HD21 ASN 24 16.128 17.288 -13.431 747 HD22 ASN 24 HD22 ASN 24 14.468 17.423 -13.901 748 H ALA 25 HN ALA 25 16.703 12.953 -9.687 749 HA ALA 25 HA ALA 25 19.412 12.313 -10.303 750 HB1 ALA 25 HB1 ALA 25 19.518 11.437 -8.027 751 HB2 ALA 25 HB2 ALA 25 17.760 11.528 -7.898 752 HB3 ALA 25 HB3 ALA 25 18.711 13.005 -8.052 753 H ILE 26 HN ILE 26 16.492 10.401 -9.688 754 HA ILE 26 HA ILE 26 17.817 7.958 -10.563 755 HB ILE 26 HB ILE 26 14.916 8.375 -9.803 756 HG12 ILE 26 HG12 ILE 26 17.194 7.331 -8.101 757 HG13 ILE 26 HG11 ILE 26 16.490 8.939 -7.956 758 HG21 ILE 26 HG21 ILE 26 16.579 5.868 -10.037 759 HG22 ILE 26 HG22 ILE 26 15.310 6.382 -11.149 760 HG23 ILE 26 HG23 ILE 26 14.904 5.943 -9.489 761 HD11 ILE 26 HD11 ILE 26 14.340 7.925 -7.362 762 HD12 ILE 26 HD12 ILE 26 15.626 7.467 -6.245 763 HD13 ILE 26 HD13 ILE 26 15.076 6.326 -7.472 764 H ASP 27 HN ASP 27 17.995 7.608 -12.683 765 HA ASP 27 HA ASP 27 16.135 8.913 -14.509 766 HB2 ASP 27 HB2 ASP 27 17.741 8.184 -16.273 767 HB3 ASP 27 HB1 ASP 27 18.456 9.225 -15.048 768 HA PRO 28 HA PRO 28 13.650 5.470 -15.463 769 HB2 PRO 28 HB2 PRO 28 13.991 6.118 -18.335 770 HB3 PRO 28 HB1 PRO 28 12.517 6.028 -17.365 771 HG2 PRO 28 HG2 PRO 28 13.503 8.383 -18.121 772 HG3 PRO 28 HG1 PRO 28 12.789 8.166 -16.511 773 HD2 PRO 28 HD2 PRO 28 15.674 8.277 -17.306 774 HD3 PRO 28 HD1 PRO 28 14.865 8.995 -15.896 775 H SER 29 HN SER 29 16.756 5.711 -17.034 776 HA SER 29 HA SER 29 16.686 3.091 -18.187 777 HB2 SER 29 HB2 SER 29 19.061 4.864 -17.567 778 HB3 SER 29 HB1 SER 29 19.079 3.435 -18.602 779 HG SER 29 HG SER 29 18.333 5.982 -19.178 780 H LYS 30 HN LYS 30 18.112 4.524 -15.274 781 HA LYS 30 HA LYS 30 19.161 2.066 -14.288 782 HB2 LYS 30 HB2 LYS 30 19.940 4.376 -13.640 783 HB3 LYS 30 HB1 LYS 30 18.469 4.539 -12.692 784 HG2 LYS 30 HG2 LYS 30 19.139 2.633 -11.317 785 HG3 LYS 30 HG1 LYS 30 20.616 2.470 -12.269 786 HD2 LYS 30 HD2 LYS 30 21.287 4.735 -11.587 787 HD3 LYS 30 HD1 LYS 30 19.824 4.866 -10.611 788 HE2 LYS 30 HE2 LYS 30 21.652 4.290 -9.169 789 HE3 LYS 30 HE1 LYS 30 20.586 2.893 -9.308 790 HZ1 LYS 30 HZ1 LYS 30 22.803 2.122 -9.495 791 HZ2 LYS 30 HZ2 LYS 30 23.210 3.308 -10.637 792 HZ3 LYS 30 HZ3 LYS 30 22.143 2.058 -11.054 793 H TYR 31 HN TYR 31 16.236 3.950 -13.581 794 HA TYR 31 HA TYR 31 14.876 1.480 -12.811 795 HB2 TYR 31 HB2 TYR 31 15.020 3.947 -11.068 796 HB3 TYR 31 HB1 TYR 31 13.778 2.715 -10.882 797 HD1 TYR 31 HD2 TYR 31 14.560 0.316 -10.416 798 HD2 TYR 31 HD1 TYR 31 17.084 3.715 -9.992 799 HE1 TYR 31 HE2 TYR 31 16.055 -0.982 -8.957 800 HE2 TYR 31 HE1 TYR 31 18.584 2.426 -8.532 801 HH TYR 31 HH TYR 31 18.453 0.441 -7.056 802 H THR 32 HN THR 32 12.768 1.435 -13.508 803 HA THR 32 HA THR 32 11.991 3.509 -15.329 804 HB THR 32 HB THR 32 10.390 1.115 -14.400 805 HG1 THR 32 HG1 THR 32 12.629 1.232 -15.835 806 HG21 THR 32 HG21 THR 32 9.195 1.405 -16.528 807 HG22 THR 32 HG22 THR 32 10.146 2.850 -16.863 808 HG23 THR 32 HG23 THR 32 9.028 2.827 -15.500 809 H VAL 33 HN VAL 33 11.538 5.380 -14.317 810 HA VAL 33 HA VAL 33 9.959 5.430 -11.882 811 HB VAL 33 HB VAL 33 11.147 7.750 -13.417 812 HG11 VAL 33 HG11 VAL 33 10.971 8.946 -11.276 813 HG12 VAL 33 HG12 VAL 33 10.159 7.546 -10.574 814 HG13 VAL 33 HG13 VAL 33 9.396 8.442 -11.888 815 HG21 VAL 33 HG21 VAL 33 12.301 6.199 -11.104 816 HG22 VAL 33 HG22 VAL 33 12.980 7.675 -11.789 817 HG23 VAL 33 HG23 VAL 33 12.903 6.205 -12.761 818 H GLU 34 HN GLU 34 7.990 6.415 -11.642 819 HA GLU 34 HA GLU 34 6.675 7.626 -13.948 820 HB2 GLU 34 HB2 GLU 34 6.065 5.246 -14.033 821 HB3 GLU 34 HB1 GLU 34 5.515 5.320 -12.366 822 HG2 GLU 34 HG2 GLU 34 3.728 6.808 -12.972 823 HG3 GLU 34 HG1 GLU 34 4.320 6.897 -14.632 824 H ILE 35 HN ILE 35 5.504 9.375 -13.336 825 HA ILE 35 HA ILE 35 5.305 9.903 -10.454 826 HB ILE 35 HB ILE 35 4.961 11.839 -12.748 827 HG12 ILE 35 HG12 ILE 35 7.260 10.959 -12.659 828 HG13 ILE 35 HG11 ILE 35 7.201 12.660 -12.211 829 HG21 ILE 35 HG21 ILE 35 5.298 12.319 -9.793 830 HG22 ILE 35 HG22 ILE 35 3.809 12.519 -10.715 831 HG23 ILE 35 HG23 ILE 35 5.192 13.566 -11.036 832 HD11 ILE 35 HD11 ILE 35 8.724 11.427 -10.788 833 HD12 ILE 35 HD12 ILE 35 7.422 10.337 -10.311 834 HD13 ILE 35 HD13 ILE 35 7.358 12.040 -9.855 835 H VAL 36 HN VAL 36 3.383 9.692 -9.481 836 HA VAL 36 HA VAL 36 0.959 10.014 -11.130 837 HB VAL 36 HB VAL 36 1.217 8.240 -8.698 838 HG11 VAL 36 HG11 VAL 36 -1.039 9.082 -9.086 839 HG12 VAL 36 HG12 VAL 36 -0.946 7.351 -9.408 840 HG13 VAL 36 HG13 VAL 36 -0.981 8.496 -10.749 841 HG21 VAL 36 HG21 VAL 36 2.577 7.340 -10.497 842 HG22 VAL 36 HG22 VAL 36 1.224 7.482 -11.619 843 HG23 VAL 36 HG23 VAL 36 1.136 6.350 -10.269 844 H HIS 37 HN HIS 37 -0.438 11.515 -10.499 845 HA HIS 37 HA HIS 37 0.090 12.958 -8.013 846 HB2 HIS 37 HB2 HIS 37 -0.012 14.216 -10.152 847 HB3 HIS 37 HB1 HIS 37 -1.679 13.699 -10.357 848 HD2 HIS 37 HD2 HIS 37 0.329 15.820 -7.690 849 HE1 HIS 37 HE1 HIS 37 -3.598 17.330 -8.134 850 HE2 HIS 37 HE2 HIS 37 -1.311 17.760 -7.141 851 H LEU 38 HN LEU 38 -1.071 12.480 -6.288 852 HA LEU 38 HA LEU 38 -3.630 11.089 -6.601 853 HB2 LEU 38 HB2 LEU 38 -1.876 11.529 -4.186 854 HB3 LEU 38 HB1 LEU 38 -3.414 10.694 -4.145 855 HG LEU 38 HG LEU 38 -0.977 9.798 -5.684 856 HD11 LEU 38 HD11 LEU 38 -0.683 9.565 -3.285 857 HD12 LEU 38 HD12 LEU 38 -0.901 7.984 -4.037 858 HD13 LEU 38 HD13 LEU 38 -2.233 8.735 -3.158 859 HD21 LEU 38 HD21 LEU 38 -2.250 7.747 -6.084 860 HD22 LEU 38 HD22 LEU 38 -3.054 9.149 -6.791 861 HD23 LEU 38 HD23 LEU 38 -3.651 8.457 -5.282 862 H GLY 39 HN GLY 39 -2.894 14.146 -6.701 863 HA2 GLY 39 HA2 GLY 39 -4.555 15.146 -4.526 864 HA3 GLY 39 HA1 GLY 39 -3.619 16.118 -5.651 865 H THR 40 HN THR 40 -5.618 13.640 -6.967 866 HA THR 40 HA THR 40 -7.861 15.442 -7.372 867 HB THR 40 HB THR 40 -6.461 14.210 -9.757 868 HG1 THR 40 HG1 THR 40 -6.004 16.552 -8.406 869 HG21 THR 40 HG21 THR 40 -8.716 16.211 -9.556 870 HG22 THR 40 HG22 THR 40 -8.876 14.520 -10.027 871 HG23 THR 40 HG23 THR 40 -7.976 15.639 -11.051 872 H ASP 41 HN ASP 41 -6.706 12.447 -8.938 873 HA ASP 41 HA ASP 41 -9.308 11.274 -8.789 874 HB2 ASP 41 HB2 ASP 41 -7.754 10.789 -10.649 875 HB3 ASP 41 HB1 ASP 41 -6.675 9.975 -9.518 876 H LYS 42 HN LYS 42 -10.153 10.349 -7.110 877 HA LYS 42 HA LYS 42 -8.468 9.642 -4.851 878 HB2 LYS 42 HB2 LYS 42 -11.461 9.894 -5.148 879 HB3 LYS 42 HB1 LYS 42 -10.655 9.432 -3.651 880 HG2 LYS 42 HG2 LYS 42 -9.567 11.529 -3.484 881 HG3 LYS 42 HG1 LYS 42 -10.045 11.982 -5.119 882 HD2 LYS 42 HD2 LYS 42 -12.371 12.091 -4.431 883 HD3 LYS 42 HD1 LYS 42 -11.933 11.554 -2.806 884 HE2 LYS 42 HE2 LYS 42 -12.257 14.006 -2.965 885 HE3 LYS 42 HE1 LYS 42 -10.639 13.550 -2.438 886 HZ1 LYS 42 HZ1 LYS 42 -10.341 15.235 -4.023 887 HZ2 LYS 42 HZ2 LYS 42 -11.478 14.569 -5.092 888 HZ3 LYS 42 HZ3 LYS 42 -9.988 13.800 -4.854 889 H ALA 43 HN ALA 43 -9.988 8.107 -7.454 890 HA ALA 43 HA ALA 43 -10.556 5.585 -6.299 891 HB1 ALA 43 HB1 ALA 43 -11.432 6.273 -8.486 892 HB2 ALA 43 HB2 ALA 43 -10.565 4.742 -8.588 893 HB3 ALA 43 HB3 ALA 43 -9.800 6.228 -9.151 894 H ARG 44 HN ARG 44 -7.722 6.842 -8.035 895 HA ARG 44 HA ARG 44 -6.120 4.544 -7.800 896 HB2 ARG 44 HB2 ARG 44 -5.639 6.437 -9.319 897 HB3 ARG 44 HB1 ARG 44 -5.242 7.434 -7.927 898 HG2 ARG 44 HG2 ARG 44 -3.144 6.811 -8.371 899 HG3 ARG 44 HG1 ARG 44 -3.591 5.331 -7.524 900 HD2 ARG 44 HD2 ARG 44 -3.808 5.729 -10.505 901 HD3 ARG 44 HD1 ARG 44 -2.444 4.959 -9.704 902 HE ARG 44 HE ARG 44 -5.120 3.819 -9.312 903 HH11 ARG 44 HH11 ARG 44 -1.904 3.591 -10.702 904 HH12 ARG 44 HH12 ARG 44 -2.098 1.931 -11.192 905 HH21 ARG 44 HH21 ARG 44 -5.364 1.639 -9.940 906 HH22 ARG 44 HH22 ARG 44 -4.047 0.810 -10.731 907 H ILE 45 HN ILE 45 -6.831 7.113 -5.543 908 HA ILE 45 HA ILE 45 -4.713 6.721 -3.730 909 HB ILE 45 HB ILE 45 -7.525 7.698 -3.192 910 HG12 ILE 45 HG12 ILE 45 -4.937 9.203 -3.644 911 HG13 ILE 45 HG11 ILE 45 -6.256 9.068 -4.802 912 HG21 ILE 45 HG21 ILE 45 -5.058 7.876 -1.464 913 HG22 ILE 45 HG22 ILE 45 -6.501 6.918 -1.132 914 HG23 ILE 45 HG23 ILE 45 -6.594 8.679 -1.137 915 HD11 ILE 45 HD11 ILE 45 -6.284 11.215 -3.679 916 HD12 ILE 45 HD12 ILE 45 -6.393 10.412 -2.112 917 HD13 ILE 45 HD13 ILE 45 -7.719 10.277 -3.267 918 H ALA 46 HN ALA 46 -7.920 5.239 -3.955 919 HA ALA 46 HA ALA 46 -7.688 3.670 -1.604 920 HB1 ALA 46 HB1 ALA 46 -9.621 2.456 -2.442 921 HB2 ALA 46 HB2 ALA 46 -9.407 3.183 -4.035 922 HB3 ALA 46 HB3 ALA 46 -9.846 4.193 -2.657 923 H GLU 47 HN GLU 47 -6.649 3.241 -4.891 924 HA GLU 47 HA GLU 47 -5.949 0.469 -4.553 925 HB2 GLU 47 HB2 GLU 47 -5.059 2.401 -6.705 926 HB3 GLU 47 HB1 GLU 47 -4.971 0.645 -6.768 927 HG2 GLU 47 HG2 GLU 47 -7.433 0.549 -6.675 928 HG3 GLU 47 HG1 GLU 47 -7.476 2.311 -6.712 929 H ALA 48 HN ALA 48 -4.436 3.581 -4.204 930 HA ALA 48 HA ALA 48 -1.743 2.788 -4.066 931 HB1 ALA 48 HB1 ALA 48 -3.087 5.093 -2.654 932 HB2 ALA 48 HB2 ALA 48 -2.444 5.128 -4.295 933 HB3 ALA 48 HB3 ALA 48 -1.354 4.907 -2.927 934 H GLU 49 HN GLU 49 -4.301 2.939 -1.638 935 HA GLU 49 HA GLU 49 -2.954 2.283 0.679 936 HB2 GLU 49 HB2 GLU 49 -5.562 1.078 -0.267 937 HB3 GLU 49 HB1 GLU 49 -4.987 1.098 1.389 938 HG2 GLU 49 HG2 GLU 49 -5.205 3.502 1.468 939 HG3 GLU 49 HG1 GLU 49 -5.686 3.533 -0.232 940 H LYS 50 HN LYS 50 -4.075 0.184 -1.903 941 HA LYS 50 HA LYS 50 -3.169 -2.218 -0.588 942 HB2 LYS 50 HB2 LYS 50 -4.350 -1.814 -3.342 943 HB3 LYS 50 HB1 LYS 50 -4.157 -3.355 -2.511 944 HG2 LYS 50 HG2 LYS 50 -5.757 -2.765 -0.862 945 HG3 LYS 50 HG1 LYS 50 -5.802 -1.091 -1.412 946 HD2 LYS 50 HD2 LYS 50 -6.777 -1.832 -3.541 947 HD3 LYS 50 HD1 LYS 50 -6.750 -3.500 -2.964 948 HE2 LYS 50 HE2 LYS 50 -8.969 -2.452 -2.718 949 HE3 LYS 50 HE1 LYS 50 -8.280 -2.945 -1.172 950 HZ1 LYS 50 HZ1 LYS 50 -9.305 -0.728 -1.101 951 HZ2 LYS 50 HZ2 LYS 50 -8.197 -0.178 -2.254 952 HZ3 LYS 50 HZ3 LYS 50 -7.655 -0.680 -0.725 953 H ALA 51 HN ALA 51 -1.774 0.086 -2.612 954 HA ALA 51 HA ALA 51 0.118 -1.736 -3.851 955 HB1 ALA 51 HB1 ALA 51 -0.707 0.180 -5.125 956 HB2 ALA 51 HB2 ALA 51 1.041 0.261 -4.907 957 HB3 ALA 51 HB3 ALA 51 -0.018 1.277 -3.929 958 H GLY 52 HN GLY 52 -0.170 0.066 -0.978 959 HA2 GLY 52 HA2 GLY 52 1.377 -0.444 0.811 960 HA3 GLY 52 HA1 GLY 52 2.665 -0.480 -0.384 961 H VAL 53 HN VAL 53 0.562 2.063 -1.002 962 HA VAL 53 HA VAL 53 2.508 4.000 -0.116 963 HB VAL 53 HB VAL 53 -0.233 4.466 -1.315 964 HG11 VAL 53 HG11 VAL 53 2.120 6.333 -1.027 965 HG12 VAL 53 HG12 VAL 53 0.618 6.406 -0.105 966 HG13 VAL 53 HG13 VAL 53 0.600 6.700 -1.844 967 HG21 VAL 53 HG21 VAL 53 2.474 4.371 -2.643 968 HG22 VAL 53 HG22 VAL 53 0.964 4.842 -3.424 969 HG23 VAL 53 HG23 VAL 53 1.174 3.193 -2.833 970 H LYS 54 HN LYS 54 2.612 4.415 1.983 971 HA LYS 54 HA LYS 54 0.206 4.188 3.611 972 HB2 LYS 54 HB2 LYS 54 2.418 3.045 4.155 973 HB3 LYS 54 HB1 LYS 54 3.027 4.639 4.572 974 HG2 LYS 54 HG2 LYS 54 1.589 4.834 6.407 975 HG3 LYS 54 HG1 LYS 54 0.561 3.510 5.848 976 HD2 LYS 54 HD2 LYS 54 2.427 1.941 6.207 977 HD3 LYS 54 HD1 LYS 54 3.407 3.271 6.824 978 HE2 LYS 54 HE2 LYS 54 1.949 3.573 8.692 979 HE3 LYS 54 HE1 LYS 54 0.768 2.449 8.020 980 HZ1 LYS 54 HZ1 LYS 54 2.180 1.509 9.816 981 HZ2 LYS 54 HZ2 LYS 54 3.526 1.669 8.797 982 HZ3 LYS 54 HZ3 LYS 54 2.248 0.640 8.361 983 H SER 55 HN SER 55 2.539 6.569 2.526 984 HA SER 55 HA SER 55 0.667 8.628 3.390 985 HB2 SER 55 HB2 SER 55 3.620 8.698 4.069 986 HB3 SER 55 HB1 SER 55 2.475 10.011 4.349 987 HG SER 55 HG SER 55 1.618 7.638 5.385 988 H VAL 56 HN VAL 56 0.983 10.666 2.294 989 HA VAL 56 HA VAL 56 2.073 10.341 -0.371 990 HB VAL 56 HB VAL 56 1.153 12.681 -0.728 991 HG11 VAL 56 HG11 VAL 56 -1.171 11.885 -0.871 992 HG12 VAL 56 HG12 VAL 56 -0.730 10.476 0.094 993 HG13 VAL 56 HG13 VAL 56 -0.014 10.713 -1.501 994 HG21 VAL 56 HG21 VAL 56 -0.532 13.462 0.866 995 HG22 VAL 56 HG22 VAL 56 1.074 13.405 1.594 996 HG23 VAL 56 HG23 VAL 56 -0.105 12.146 1.959 997 HA PRO 57 HA PRO 57 5.040 12.963 -1.766 998 HB2 PRO 57 HB2 PRO 57 5.619 13.985 1.006 999 HB3 PRO 57 HB1 PRO 57 6.202 14.607 -0.550 1000 HG2 PRO 57 HG2 PRO 57 3.830 15.421 0.724 1001 HG3 PRO 57 HG1 PRO 57 4.224 15.685 -0.984 1002 HD2 PRO 57 HD2 PRO 57 2.099 14.104 -0.050 1003 HD3 PRO 57 HD1 PRO 57 2.815 13.983 -1.677 1004 H ALA 58 HN ALA 58 5.236 10.742 -2.010 1005 HA ALA 58 HA ALA 58 7.615 9.650 -0.801 1006 HB1 ALA 58 HB1 ALA 58 5.929 8.924 0.810 1007 HB2 ALA 58 HB2 ALA 58 6.544 7.548 -0.108 1008 HB3 ALA 58 HB3 ALA 58 4.965 8.232 -0.495 1009 H LEU 59 HN LEU 59 7.960 7.336 -1.847 1010 HA LEU 59 HA LEU 59 6.583 7.009 -4.379 1011 HB2 LEU 59 HB2 LEU 59 8.444 7.121 -5.808 1012 HB3 LEU 59 HB1 LEU 59 8.504 8.569 -4.829 1013 HG LEU 59 HG LEU 59 10.212 6.119 -4.375 1014 HD11 LEU 59 HD11 LEU 59 12.033 7.479 -5.280 1015 HD12 LEU 59 HD12 LEU 59 10.884 8.763 -5.656 1016 HD13 LEU 59 HD13 LEU 59 10.767 7.207 -6.477 1017 HD21 LEU 59 HD21 LEU 59 11.498 7.568 -2.893 1018 HD22 LEU 59 HD22 LEU 59 9.830 7.418 -2.340 1019 HD23 LEU 59 HD23 LEU 59 10.355 8.882 -3.172 1020 H VAL 60 HN VAL 60 6.584 4.955 -5.139 1021 HA VAL 60 HA VAL 60 7.650 2.927 -3.317 1022 HB VAL 60 HB VAL 60 5.762 2.537 -5.644 1023 HG11 VAL 60 HG11 VAL 60 6.440 0.768 -3.297 1024 HG12 VAL 60 HG12 VAL 60 6.914 0.508 -4.976 1025 HG13 VAL 60 HG13 VAL 60 5.213 0.426 -4.517 1026 HG21 VAL 60 HG21 VAL 60 3.964 2.448 -3.965 1027 HG22 VAL 60 HG22 VAL 60 4.732 4.033 -4.039 1028 HG23 VAL 60 HG23 VAL 60 5.119 2.926 -2.722 1029 H ILE 61 HN ILE 61 9.720 2.547 -3.813 1030 HA ILE 61 HA ILE 61 10.516 2.259 -6.621 1031 HB ILE 61 HB ILE 61 12.225 2.283 -4.123 1032 HG12 ILE 61 HG12 ILE 61 11.807 4.441 -6.204 1033 HG13 ILE 61 HG11 ILE 61 11.123 4.453 -4.581 1034 HG21 ILE 61 HG21 ILE 61 14.115 2.527 -5.655 1035 HG22 ILE 61 HG22 ILE 61 13.020 2.396 -7.031 1036 HG23 ILE 61 HG23 ILE 61 13.243 1.022 -5.948 1037 HD11 ILE 61 HD11 ILE 61 13.076 5.885 -4.730 1038 HD12 ILE 61 HD12 ILE 61 14.056 4.519 -5.263 1039 HD13 ILE 61 HD13 ILE 61 13.373 4.535 -3.636 1040 H ASP 62 HN ASP 62 10.314 0.283 -7.448 1041 HA ASP 62 HA ASP 62 10.795 -1.910 -7.827 1042 HB2 ASP 62 HB2 ASP 62 12.952 -1.461 -6.664 1043 HB3 ASP 62 HB1 ASP 62 12.191 -1.897 -5.140 1044 H GLY 63 HN GLY 63 9.047 -0.778 -5.192 1045 HA2 GLY 63 HA2 GLY 63 6.969 -2.197 -4.801 1046 HA3 GLY 63 HA1 GLY 63 8.121 -3.474 -4.437 1047 H ALA 64 HN ALA 64 9.546 -0.722 -3.374 1048 HA ALA 64 HA ALA 64 8.310 -0.925 -0.704 1049 HB1 ALA 64 HB1 ALA 64 10.473 -0.321 0.244 1050 HB2 ALA 64 HB2 ALA 64 11.164 -0.206 -1.374 1051 HB3 ALA 64 HB3 ALA 64 10.616 -1.765 -0.759 1052 H ALA 65 HN ALA 65 7.335 0.866 0.020 1053 HA ALA 65 HA ALA 65 7.541 3.286 -1.576 1054 HB1 ALA 65 HB1 ALA 65 5.325 2.446 -0.964 1055 HB2 ALA 65 HB2 ALA 65 5.610 4.065 -0.325 1056 HB3 ALA 65 HB3 ALA 65 5.717 2.665 0.742 1057 H PHE 66 HN PHE 66 9.241 4.507 -1.110 1058 HA PHE 66 HA PHE 66 9.959 4.969 1.692 1059 HB2 PHE 66 HB2 PHE 66 11.382 5.749 -0.865 1060 HB3 PHE 66 HB1 PHE 66 11.977 6.070 0.762 1061 HD1 PHE 66 HD1 PHE 66 12.348 4.038 2.287 1062 HD2 PHE 66 HD2 PHE 66 11.930 3.768 -1.941 1063 HE1 PHE 66 HE1 PHE 66 13.447 1.839 2.322 1064 HE2 PHE 66 HE2 PHE 66 13.030 1.568 -1.910 1065 HZ PHE 66 HZ PHE 66 13.789 0.600 0.222 1066 H HIS 67 HN HIS 67 9.620 6.880 2.673 1067 HA HIS 67 HA HIS 67 7.997 8.809 1.186 1068 HB2 HIS 67 HB2 HIS 67 8.437 8.494 4.169 1069 HB3 HIS 67 HB1 HIS 67 7.321 9.628 3.414 1070 HD1 HIS 67 HD1 HIS 67 7.777 5.896 3.971 1071 HD2 HIS 67 HD2 HIS 67 4.892 8.599 2.683 1072 HE1 HIS 67 HE1 HIS 67 5.618 4.592 3.771 1073 H ILE 68 HN ILE 68 8.847 10.707 0.550 1074 HA ILE 68 HA ILE 68 11.514 11.360 1.630 1075 HB ILE 68 HB ILE 68 10.399 11.898 -1.125 1076 HG12 ILE 68 HG12 ILE 68 12.678 10.182 -0.116 1077 HG13 ILE 68 HG11 ILE 68 11.170 9.614 -0.824 1078 HG21 ILE 68 HG21 ILE 68 12.575 12.913 -1.630 1079 HG22 ILE 68 HG22 ILE 68 13.035 12.746 0.064 1080 HG23 ILE 68 HG23 ILE 68 11.703 13.811 -0.387 1081 HD11 ILE 68 HD11 ILE 68 11.797 10.607 -2.960 1082 HD12 ILE 68 HD12 ILE 68 13.009 9.456 -2.399 1083 HD13 ILE 68 HD13 ILE 68 13.303 11.189 -2.248 1084 H ASN 69 HN ASN 69 11.471 12.973 2.968 1085 HA ASN 69 HA ASN 69 10.864 14.823 4.107 1086 HB2 ASN 69 HB2 ASN 69 10.030 15.696 1.345 1087 HB3 ASN 69 HB1 ASN 69 9.764 16.719 2.753 1088 HD21 ASN 69 HD21 ASN 69 11.434 17.212 0.454 1089 HD22 ASN 69 HD22 ASN 69 13.039 17.436 1.056 1090 H PHE 70 HN PHE 70 9.436 14.212 5.544 1091 HA PHE 70 HA PHE 70 7.178 12.755 5.207 1092 HB2 PHE 70 HB2 PHE 70 8.240 13.198 7.390 1093 HB3 PHE 70 HB1 PHE 70 7.591 14.834 7.366 1094 HD1 PHE 70 HD2 PHE 70 6.573 11.265 7.322 1095 HD2 PHE 70 HD1 PHE 70 5.479 15.271 8.245 1096 HE1 PHE 70 HE2 PHE 70 4.516 10.451 8.397 1097 HE2 PHE 70 HE1 PHE 70 3.417 14.464 9.321 1098 HZ PHE 70 HZ PHE 70 2.934 12.051 9.395 1099 H GLY 71 HN GLY 71 5.703 13.222 3.724 1100 HA2 GLY 71 HA2 GLY 71 4.635 15.881 3.429 1101 HA3 GLY 71 HA1 GLY 71 4.159 14.447 2.524 1102 H ALA 72 HN ALA 72 2.441 13.235 3.191 1103 HA ALA 72 HA ALA 72 1.198 14.007 5.739 1104 HB1 ALA 72 HB1 ALA 72 -0.345 14.072 3.151 1105 HB2 ALA 72 HB2 ALA 72 0.183 15.486 4.063 1106 HB3 ALA 72 HB3 ALA 72 -0.991 14.371 4.764 1107 H GLY 73 HN GLY 73 -0.228 12.428 6.613 1108 HA2 GLY 73 HA2 GLY 73 0.255 9.745 5.774 1109 HA3 GLY 73 HA1 GLY 73 -0.933 10.261 6.968 1110 H ILE 74 HN ILE 74 -1.192 8.287 4.752 1111 HA ILE 74 HA ILE 74 -2.588 9.413 2.600 1112 HB ILE 74 HB ILE 74 -1.677 7.119 2.554 1113 HG12 ILE 74 HG12 ILE 74 -4.658 7.190 2.047 1114 HG13 ILE 74 HG11 ILE 74 -3.446 7.870 0.968 1115 HG21 ILE 74 HG21 ILE 74 -2.276 6.382 4.786 1116 HG22 ILE 74 HG22 ILE 74 -2.936 5.275 3.582 1117 HG23 ILE 74 HG23 ILE 74 -3.989 6.450 4.371 1118 HD11 ILE 74 HD11 ILE 74 -2.496 5.637 0.652 1119 HD12 ILE 74 HD12 ILE 74 -4.192 5.712 0.179 1120 HD13 ILE 74 HD13 ILE 74 -3.736 4.970 1.712 1121 H ASP 75 HN ASP 75 -3.639 8.486 5.801 1122 HA ASP 75 HA ASP 75 -6.444 8.603 5.182 1123 HB2 ASP 75 HB2 ASP 75 -4.864 8.187 7.689 1124 HB3 ASP 75 HB1 ASP 75 -6.585 8.547 7.784 1125 H ASP 76 HN ASP 76 -4.224 11.012 5.481 1126 HA ASP 76 HA ASP 76 -5.949 12.886 6.858 1127 HB2 ASP 76 HB2 ASP 76 -3.365 13.270 5.333 1128 HB3 ASP 76 HB1 ASP 76 -4.266 14.600 6.056 1129 H LEU 77 HN LEU 77 -5.387 11.744 3.677 1130 HA LEU 77 HA LEU 77 -7.242 13.740 2.571 1131 HB2 LEU 77 HB2 LEU 77 -5.567 11.686 1.111 1132 HB3 LEU 77 HB1 LEU 77 -6.517 12.965 0.378 1133 HG LEU 77 HG LEU 77 -4.062 13.349 2.096 1134 HD11 LEU 77 HD11 LEU 77 -3.025 14.136 0.027 1135 HD12 LEU 77 HD12 LEU 77 -4.494 13.735 -0.862 1136 HD13 LEU 77 HD13 LEU 77 -3.544 12.456 -0.107 1137 HD21 LEU 77 HD21 LEU 77 -5.648 15.174 2.393 1138 HD22 LEU 77 HD22 LEU 77 -5.765 15.373 0.645 1139 HD23 LEU 77 HD23 LEU 77 -4.243 15.708 1.470 1140 H LYS 78 HN LYS 78 -6.618 10.301 2.904 1141 HA LYS 78 HA LYS 78 -8.982 9.280 1.792 1142 HB2 LYS 78 HB2 LYS 78 -7.107 7.850 2.219 1143 HB3 LYS 78 HB1 LYS 78 -7.097 8.265 3.922 1144 HG2 LYS 78 HG2 LYS 78 -9.222 7.080 4.210 1145 HG3 LYS 78 HG1 LYS 78 -9.192 6.639 2.499 1146 HD2 LYS 78 HD2 LYS 78 -7.148 5.397 2.807 1147 HD3 LYS 78 HD1 LYS 78 -7.028 5.938 4.481 1148 HE2 LYS 78 HE2 LYS 78 -9.193 4.187 3.330 1149 HE3 LYS 78 HE1 LYS 78 -7.854 3.646 4.340 1150 HZ1 LYS 78 HZ1 LYS 78 -10.155 5.343 5.098 1151 HZ2 LYS 78 HZ2 LYS 78 -8.751 5.258 6.053 1152 HZ3 LYS 78 HZ3 LYS 78 -9.672 3.863 5.765 1153 H GLY 79 HN GLY 79 -11.020 9.184 2.527 1154 HA2 GLY 79 HA2 GLY 79 -11.513 9.981 5.331 1155 HA3 GLY 79 HA1 GLY 79 -12.523 10.531 3.999 1156 H SER 80 HN SER 80 -11.892 8.049 6.251 1157 HA SER 80 HA SER 80 -12.797 6.018 6.697 1158 HB2 SER 80 HB2 SER 80 -15.142 7.156 5.146 1159 HB3 SER 80 HB1 SER 80 -15.201 5.696 6.133 1160 HG SER 80 HG SER 80 -14.531 7.066 7.924 Start of MODEL 19 1 H1 VAL 1 HT1 VAL 1 26.609 16.299 -14.619 2 H2 VAL 1 HT2 VAL 1 26.316 17.911 -15.047 3 H3 VAL 1 HT3 VAL 1 25.349 17.154 -13.876 4 HA VAL 1 HA VAL 1 28.250 17.676 -13.600 5 HB VAL 1 HB VAL 1 25.894 19.124 -12.364 6 HG11 VAL 1 HG11 VAL 1 27.553 20.521 -11.236 7 HG12 VAL 1 HG12 VAL 1 28.847 19.515 -11.885 8 HG13 VAL 1 HG13 VAL 1 27.693 18.833 -10.740 9 HG21 VAL 1 HG21 VAL 1 26.358 19.821 -14.652 10 HG22 VAL 1 HG22 VAL 1 28.049 20.096 -14.236 11 HG23 VAL 1 HG23 VAL 1 26.790 21.092 -13.507 12 H ALA 2 HN ALA 2 29.192 16.565 -12.000 13 HA ALA 2 HA ALA 2 27.650 14.716 -10.423 14 HB1 ALA 2 HB1 ALA 2 29.887 14.127 -11.243 15 HB2 ALA 2 HB2 ALA 2 29.792 14.030 -9.484 16 HB3 ALA 2 HB3 ALA 2 30.583 15.408 -10.250 17 H SER 3 HN SER 3 26.289 16.023 -9.218 18 HA SER 3 HA SER 3 27.252 18.132 -7.557 19 HB2 SER 3 HB2 SER 3 24.598 16.678 -7.530 20 HB3 SER 3 HB1 SER 3 24.947 18.201 -6.709 21 HG SER 3 HG SER 3 25.282 19.170 -8.711 22 H LYS 4 HN LYS 4 26.887 18.178 -5.209 23 HA LYS 4 HA LYS 4 28.015 15.795 -3.986 24 HB2 LYS 4 HB2 LYS 4 28.900 18.117 -3.556 25 HB3 LYS 4 HB1 LYS 4 27.395 18.473 -2.723 26 HG2 LYS 4 HG2 LYS 4 28.912 17.957 -1.031 27 HG3 LYS 4 HG1 LYS 4 27.945 16.493 -1.221 28 HD2 LYS 4 HD2 LYS 4 29.715 15.527 -2.627 29 HD3 LYS 4 HD1 LYS 4 30.686 16.983 -2.390 30 HE2 LYS 4 HE2 LYS 4 30.571 16.540 0.074 31 HE3 LYS 4 HE1 LYS 4 29.816 14.994 -0.302 32 HZ1 LYS 4 HZ1 LYS 4 31.839 14.504 -1.669 33 HZ2 LYS 4 HZ2 LYS 4 32.103 14.595 0.005 34 HZ3 LYS 4 HZ3 LYS 4 32.553 15.890 -0.998 35 H ALA 5 HN ALA 5 26.744 14.313 -3.076 36 HA ALA 5 HA ALA 5 24.124 15.167 -2.019 37 HB1 ALA 5 HB1 ALA 5 23.902 13.680 -3.943 38 HB2 ALA 5 HB2 ALA 5 23.331 12.893 -2.472 39 HB3 ALA 5 HB3 ALA 5 24.909 12.475 -3.140 40 H ILE 6 HN ILE 6 24.146 15.221 0.142 41 HA ILE 6 HA ILE 6 25.994 13.425 1.567 42 HB ILE 6 HB ILE 6 24.605 15.860 2.689 43 HG12 ILE 6 HG12 ILE 6 26.104 16.494 0.823 44 HG13 ILE 6 HG11 ILE 6 26.698 17.071 2.376 45 HG21 ILE 6 HG21 ILE 6 25.339 14.236 4.348 46 HG22 ILE 6 HG22 ILE 6 26.316 15.702 4.432 47 HG23 ILE 6 HG23 ILE 6 26.965 14.253 3.663 48 HD11 ILE 6 HD11 ILE 6 28.503 16.216 1.011 49 HD12 ILE 6 HD12 ILE 6 27.692 14.656 0.889 50 HD13 ILE 6 HD13 ILE 6 28.286 15.221 2.450 51 H PHE 7 HN PHE 7 25.181 11.770 2.706 52 HA PHE 7 HA PHE 7 22.289 11.804 3.267 53 HB2 PHE 7 HB2 PHE 7 23.125 10.017 1.732 54 HB3 PHE 7 HB1 PHE 7 24.108 9.398 3.053 55 HD1 PHE 7 HD2 PHE 7 20.596 10.136 2.105 56 HD2 PHE 7 HD1 PHE 7 23.229 7.845 4.536 57 HE1 PHE 7 HE2 PHE 7 18.699 8.763 2.857 58 HE2 PHE 7 HE1 PHE 7 21.338 6.467 5.292 59 HZ PHE 7 HZ PHE 7 19.070 6.925 4.452 60 H TYR 8 HN TYR 8 21.845 12.293 5.290 61 HA TYR 8 HA TYR 8 23.740 11.592 7.428 62 HB2 TYR 8 HB2 TYR 8 21.401 13.512 7.358 63 HB3 TYR 8 HB1 TYR 8 22.304 13.133 8.816 64 HD1 TYR 8 HD1 TYR 8 24.634 13.892 9.060 65 HD2 TYR 8 HD2 TYR 8 22.275 15.020 5.708 66 HE1 TYR 8 HE1 TYR 8 26.199 15.727 8.587 67 HE2 TYR 8 HE2 TYR 8 23.836 16.856 5.221 68 HH TYR 8 HH TYR 8 26.830 17.252 7.053 69 H HIS 9 HN HIS 9 23.246 10.034 8.895 70 HA HIS 9 HA HIS 9 20.517 9.640 9.689 71 HB2 HIS 9 HB2 HIS 9 20.270 7.331 9.138 72 HB3 HIS 9 HB1 HIS 9 20.690 8.189 7.665 73 HD2 HIS 9 HD2 HIS 9 23.166 7.535 6.560 74 HE1 HIS 9 HE1 HIS 9 23.766 4.228 9.125 75 HE2 HIS 9 HE2 HIS 9 24.300 5.215 6.853 76 H ALA 10 HN ALA 10 20.434 7.739 11.363 77 HA ALA 10 HA ALA 10 22.771 8.152 13.111 78 HB1 ALA 10 HB1 ALA 10 21.251 8.062 15.008 79 HB2 ALA 10 HB2 ALA 10 19.890 7.792 13.918 80 HB3 ALA 10 HB3 ALA 10 20.764 9.322 13.875 81 H GLY 11 HN GLY 11 21.773 5.861 11.201 82 HA2 GLY 11 HA2 GLY 11 22.465 3.635 11.210 83 HA3 GLY 11 HA1 GLY 11 22.783 3.763 12.932 84 H CYS 12 HN CYS 12 19.754 4.963 12.409 85 HA CYS 12 HA CYS 12 18.430 2.844 13.700 86 HB2 CYS 12 HB2 CYS 12 17.216 5.040 12.006 87 HB3 CYS 12 HB1 CYS 12 16.392 4.095 13.242 88 HG CYS 12 HG CYS 12 17.891 5.141 15.361 89 HA PRO 13 HA PRO 13 17.453 -0.129 10.559 90 HB2 PRO 13 HB2 PRO 13 14.724 -0.435 11.093 91 HB3 PRO 13 HB1 PRO 13 16.035 -1.344 11.848 92 HG2 PRO 13 HG2 PRO 13 14.546 1.035 12.858 93 HG3 PRO 13 HG1 PRO 13 15.172 -0.364 13.751 94 HD2 PRO 13 HD2 PRO 13 16.411 2.004 13.842 95 HD3 PRO 13 HD1 PRO 13 17.334 0.486 13.810 96 H VAL 14 HN VAL 14 15.072 2.466 10.992 97 HA VAL 14 HA VAL 14 13.913 2.439 8.454 98 HB VAL 14 HB VAL 14 14.432 4.858 10.198 99 HG11 VAL 14 HG11 VAL 14 13.756 5.467 7.947 100 HG12 VAL 14 HG12 VAL 14 12.461 5.806 9.095 101 HG13 VAL 14 HG13 VAL 14 12.366 4.386 8.054 102 HG21 VAL 14 HG21 VAL 14 12.086 2.963 10.179 103 HG22 VAL 14 HG22 VAL 14 12.201 4.448 11.123 104 HG23 VAL 14 HG23 VAL 14 13.299 3.107 11.451 105 H CYS 15 HN CYS 15 16.875 3.910 9.625 106 HA CYS 15 HA CYS 15 17.419 5.427 7.270 107 HB2 CYS 15 HB2 CYS 15 19.331 4.548 9.441 108 HB3 CYS 15 HB1 CYS 15 19.568 5.867 8.299 109 HG CYS 15 HG CYS 15 17.111 7.122 9.421 110 H VAL 16 HN VAL 16 18.377 2.282 8.515 111 HA VAL 16 HA VAL 16 20.464 1.680 6.771 112 HB VAL 16 HB VAL 16 18.480 -0.164 8.109 113 HG11 VAL 16 HG11 VAL 16 21.097 -0.849 6.774 114 HG12 VAL 16 HG12 VAL 16 19.491 -1.301 6.206 115 HG13 VAL 16 HG13 VAL 16 20.105 -1.956 7.723 116 HG21 VAL 16 HG21 VAL 16 21.291 0.641 8.847 117 HG22 VAL 16 HG22 VAL 16 20.291 -0.522 9.718 118 HG23 VAL 16 HG23 VAL 16 19.814 1.174 9.647 119 H SER 17 HN SER 17 16.986 1.060 6.420 120 HA SER 17 HA SER 17 17.111 -0.299 3.976 121 HB2 SER 17 HB2 SER 17 14.877 1.491 4.967 122 HB3 SER 17 HB1 SER 17 14.738 0.188 3.785 123 HG SER 17 HG SER 17 15.636 -1.156 5.612 124 H ALA 18 HN ALA 18 16.665 3.156 4.680 125 HA ALA 18 HA ALA 18 16.384 3.987 2.001 126 HB1 ALA 18 HB1 ALA 18 17.359 5.572 4.374 127 HB2 ALA 18 HB2 ALA 18 15.673 5.347 3.911 128 HB3 ALA 18 HB3 ALA 18 16.766 6.237 2.851 129 H GLU 19 HN GLU 19 19.186 3.783 4.146 130 HA GLU 19 HA GLU 19 21.088 5.039 2.565 131 HB2 GLU 19 HB2 GLU 19 21.512 4.410 4.878 132 HB3 GLU 19 HB1 GLU 19 21.426 2.705 4.459 133 HG2 GLU 19 HG2 GLU 19 23.402 3.056 2.971 134 HG3 GLU 19 HG1 GLU 19 23.529 4.688 3.626 135 H GLN 20 HN GLN 20 20.473 1.525 2.766 136 HA GLN 20 HA GLN 20 22.433 1.038 0.736 137 HB2 GLN 20 HB2 GLN 20 20.509 -0.848 2.094 138 HB3 GLN 20 HB1 GLN 20 21.829 -1.337 1.037 139 HG2 GLN 20 HG2 GLN 20 23.423 -0.273 2.590 140 HG3 GLN 20 HG1 GLN 20 22.081 0.111 3.664 141 HE21 GLN 20 HE21 GLN 20 24.441 -1.511 4.143 142 HE22 GLN 20 HE22 GLN 20 23.865 -3.083 4.601 143 H ALA 21 HN ALA 21 19.061 1.671 0.642 144 HA ALA 21 HA ALA 21 18.761 0.363 -1.948 145 HB1 ALA 21 HB1 ALA 21 16.735 1.994 -0.431 146 HB2 ALA 21 HB2 ALA 21 16.929 0.246 -0.306 147 HB3 ALA 21 HB3 ALA 21 16.434 0.969 -1.837 148 H VAL 22 HN VAL 22 18.376 3.681 -0.663 149 HA VAL 22 HA VAL 22 17.899 4.762 -3.254 150 HB VAL 22 HB VAL 22 18.631 6.236 -0.719 151 HG11 VAL 22 HG11 VAL 22 17.514 8.150 -1.797 152 HG12 VAL 22 HG12 VAL 22 17.324 7.191 -3.266 153 HG13 VAL 22 HG13 VAL 22 18.937 7.616 -2.692 154 HG21 VAL 22 HG21 VAL 22 16.645 4.851 -0.416 155 HG22 VAL 22 HG22 VAL 22 15.923 5.553 -1.863 156 HG23 VAL 22 HG23 VAL 22 16.217 6.562 -0.446 157 H ALA 23 HN ALA 23 20.761 4.600 -1.169 158 HA ALA 23 HA ALA 23 22.334 6.319 -2.829 159 HB1 ALA 23 HB1 ALA 23 23.254 4.358 -0.732 160 HB2 ALA 23 HB2 ALA 23 22.804 6.039 -0.441 161 HB3 ALA 23 HB3 ALA 23 24.212 5.662 -1.435 162 H ASN 24 HN ASN 24 21.248 3.215 -3.313 163 HA ASN 24 HA ASN 24 23.501 2.604 -5.104 164 HB2 ASN 24 HB2 ASN 24 21.441 0.873 -3.780 165 HB3 ASN 24 HB1 ASN 24 22.208 0.333 -5.269 166 HD21 ASN 24 HD21 ASN 24 23.902 2.295 -2.937 167 HD22 ASN 24 HD22 ASN 24 24.972 1.053 -2.374 168 H ALA 25 HN ALA 25 20.183 3.490 -4.948 169 HA ALA 25 HA ALA 25 19.515 2.883 -7.660 170 HB1 ALA 25 HB1 ALA 25 18.263 4.861 -5.749 171 HB2 ALA 25 HB2 ALA 25 17.782 3.177 -5.962 172 HB3 ALA 25 HB3 ALA 25 17.569 4.329 -7.281 173 H ILE 26 HN ILE 26 20.761 5.686 -5.933 174 HA ILE 26 HA ILE 26 21.147 7.139 -8.435 175 HB ILE 26 HB ILE 26 21.906 7.946 -5.617 176 HG12 ILE 26 HG12 ILE 26 19.515 8.783 -7.278 177 HG13 ILE 26 HG11 ILE 26 19.459 7.668 -5.917 178 HG21 ILE 26 HG21 ILE 26 23.224 9.070 -7.331 179 HG22 ILE 26 HG22 ILE 26 22.108 10.199 -6.563 180 HG23 ILE 26 HG23 ILE 26 21.749 9.556 -8.165 181 HD11 ILE 26 HD11 ILE 26 18.711 9.893 -5.288 182 HD12 ILE 26 HD12 ILE 26 20.264 10.565 -5.783 183 HD13 ILE 26 HD13 ILE 26 20.181 9.448 -4.421 184 H ASP 27 HN ASP 27 22.867 6.534 -9.592 185 HA ASP 27 HA ASP 27 24.987 4.994 -8.568 186 HB2 ASP 27 HB2 ASP 27 24.857 6.597 -11.129 187 HB3 ASP 27 HB1 ASP 27 26.090 5.398 -10.750 188 HA PRO 28 HA PRO 28 27.409 8.088 -6.575 189 HB2 PRO 28 HB2 PRO 28 29.772 6.694 -6.518 190 HB3 PRO 28 HB1 PRO 28 28.443 6.441 -5.384 191 HG2 PRO 28 HG2 PRO 28 29.169 4.886 -7.831 192 HG3 PRO 28 HG1 PRO 28 28.622 4.298 -6.251 193 HD2 PRO 28 HD2 PRO 28 26.968 4.442 -8.369 194 HD3 PRO 28 HD1 PRO 28 26.401 4.747 -6.714 195 H SER 29 HN SER 29 28.400 6.614 -9.601 196 HA SER 29 HA SER 29 30.435 8.573 -10.137 197 HB2 SER 29 HB2 SER 29 30.294 7.477 -12.473 198 HB3 SER 29 HB1 SER 29 30.847 6.480 -11.126 199 HG SER 29 HG SER 29 29.289 5.373 -12.335 200 H LYS 30 HN LYS 30 27.058 8.386 -10.449 201 HA LYS 30 HA LYS 30 26.862 10.474 -12.464 202 HB2 LYS 30 HB2 LYS 30 25.186 8.583 -12.211 203 HB3 LYS 30 HB1 LYS 30 24.677 9.334 -10.707 204 HG2 LYS 30 HG2 LYS 30 24.158 11.401 -12.042 205 HG3 LYS 30 HG1 LYS 30 24.427 10.430 -13.492 206 HD2 LYS 30 HD2 LYS 30 22.717 8.816 -12.586 207 HD3 LYS 30 HD1 LYS 30 22.347 10.021 -11.351 208 HE2 LYS 30 HE2 LYS 30 20.756 10.320 -13.076 209 HE3 LYS 30 HE1 LYS 30 21.913 11.641 -13.236 210 HZ1 LYS 30 HZ1 LYS 30 21.912 9.140 -14.844 211 HZ2 LYS 30 HZ2 LYS 30 23.015 10.424 -15.010 212 HZ3 LYS 30 HZ3 LYS 30 21.378 10.655 -15.377 213 H TYR 31 HN TYR 31 25.795 10.037 -9.103 214 HA TYR 31 HA TYR 31 26.688 12.773 -8.502 215 HB2 TYR 31 HB2 TYR 31 24.128 11.491 -7.499 216 HB3 TYR 31 HB1 TYR 31 24.762 13.045 -6.967 217 HD1 TYR 31 HD1 TYR 31 25.076 14.850 -8.803 218 HD2 TYR 31 HD2 TYR 31 22.639 11.398 -9.280 219 HE1 TYR 31 HE1 TYR 31 23.856 15.969 -10.621 220 HE2 TYR 31 HE2 TYR 31 21.414 12.508 -11.098 221 HH TYR 31 HH TYR 31 20.932 14.769 -11.890 222 H THR 32 HN THR 32 28.004 12.839 -6.751 223 HA THR 32 HA THR 32 28.796 10.311 -5.649 224 HB THR 32 HB THR 32 29.794 13.049 -4.857 225 HG1 THR 32 HG1 THR 32 30.196 11.495 -7.137 226 HG21 THR 32 HG21 THR 32 30.444 11.227 -3.349 227 HG22 THR 32 HG22 THR 32 31.834 11.824 -4.254 228 HG23 THR 32 HG23 THR 32 31.064 10.307 -4.720 229 H VAL 33 HN VAL 33 27.562 9.411 -4.150 230 HA VAL 33 HA VAL 33 26.164 11.000 -2.172 231 HB VAL 33 HB VAL 33 26.288 7.989 -2.448 232 HG11 VAL 33 HG11 VAL 33 24.248 8.019 -1.082 233 HG12 VAL 33 HG12 VAL 33 24.392 9.769 -0.917 234 HG13 VAL 33 HG13 VAL 33 25.622 8.714 -0.223 235 HG21 VAL 33 HG21 VAL 33 24.102 8.175 -3.538 236 HG22 VAL 33 HG22 VAL 33 25.354 9.013 -4.456 237 HG23 VAL 33 HG23 VAL 33 24.218 9.934 -3.471 238 H GLU 34 HN GLU 34 27.116 11.622 -0.387 239 HA GLU 34 HA GLU 34 29.343 10.040 0.711 240 HB2 GLU 34 HB2 GLU 34 29.832 12.377 0.021 241 HB3 GLU 34 HB1 GLU 34 28.622 12.946 1.161 242 HG2 GLU 34 HG2 GLU 34 29.925 12.180 3.017 243 HG3 GLU 34 HG1 GLU 34 31.078 11.393 1.937 244 H ILE 35 HN ILE 35 28.977 8.975 2.560 245 HA ILE 35 HA ILE 35 26.396 9.344 3.866 246 HB ILE 35 HB ILE 35 28.468 7.192 4.335 247 HG12 ILE 35 HG12 ILE 35 27.648 7.128 2.022 248 HG13 ILE 35 HG11 ILE 35 27.058 5.747 2.941 249 HG21 ILE 35 HG21 ILE 35 26.956 7.460 6.211 250 HG22 ILE 35 HG22 ILE 35 26.604 5.955 5.360 251 HG23 ILE 35 HG23 ILE 35 25.563 7.361 5.132 252 HD11 ILE 35 HD11 ILE 35 25.486 8.231 2.292 253 HD12 ILE 35 HD12 ILE 35 24.893 6.833 3.189 254 HD13 ILE 35 HD13 ILE 35 25.337 6.666 1.491 255 H VAL 36 HN VAL 36 26.148 10.249 5.813 256 HA VAL 36 HA VAL 36 28.530 10.556 7.522 257 HB VAL 36 HB VAL 36 26.246 12.525 7.264 258 HG11 VAL 36 HG11 VAL 36 27.572 13.934 8.769 259 HG12 VAL 36 HG12 VAL 36 28.759 12.640 8.933 260 HG13 VAL 36 HG13 VAL 36 27.117 12.413 9.537 261 HG21 VAL 36 HG21 VAL 36 27.939 14.047 6.342 262 HG22 VAL 36 HG22 VAL 36 27.721 12.619 5.333 263 HG23 VAL 36 HG23 VAL 36 29.126 12.745 6.390 264 H HIS 37 HN HIS 37 28.325 9.308 9.239 265 HA HIS 37 HA HIS 37 25.685 8.530 10.193 266 HB2 HIS 37 HB2 HIS 37 27.708 6.945 9.893 267 HB3 HIS 37 HB1 HIS 37 28.324 7.670 11.373 268 HD2 HIS 37 HD2 HIS 37 26.199 4.790 10.303 269 HE1 HIS 37 HE1 HIS 37 25.138 5.602 14.316 270 HE2 HIS 37 HE2 HIS 37 25.142 3.854 12.485 271 H LEU 38 HN LEU 38 24.702 9.663 11.725 272 HA LEU 38 HA LEU 38 26.068 11.806 13.059 273 HB2 LEU 38 HB2 LEU 38 23.247 10.781 13.365 274 HB3 LEU 38 HB1 LEU 38 23.860 12.263 14.073 275 HG LEU 38 HG LEU 38 23.609 11.692 11.118 276 HD11 LEU 38 HD11 LEU 38 21.877 13.409 11.168 277 HD12 LEU 38 HD12 LEU 38 22.058 13.548 12.917 278 HD13 LEU 38 HD13 LEU 38 21.459 12.048 12.210 279 HD21 LEU 38 HD21 LEU 38 25.526 13.114 11.584 280 HD22 LEU 38 HD22 LEU 38 24.518 14.175 12.568 281 HD23 LEU 38 HD23 LEU 38 24.231 14.046 10.832 282 H GLY 39 HN GLY 39 25.808 8.561 13.735 283 HA2 GLY 39 HA2 GLY 39 25.694 8.849 16.632 284 HA3 GLY 39 HA1 GLY 39 25.844 7.342 15.735 285 H THR 40 HN THR 40 28.026 9.097 14.250 286 HA THR 40 HA THR 40 30.218 7.993 15.768 287 HB THR 40 HB THR 40 30.286 9.682 13.258 288 HG1 THR 40 HG1 THR 40 30.513 6.846 13.437 289 HG21 THR 40 HG21 THR 40 32.430 9.622 14.418 290 HG22 THR 40 HG22 THR 40 32.505 8.677 12.930 291 HG23 THR 40 HG23 THR 40 32.360 7.861 14.487 292 H ASP 41 HN ASP 41 28.766 11.136 15.219 293 HA ASP 41 HA ASP 41 30.468 12.360 17.191 294 HB2 ASP 41 HB2 ASP 41 31.989 12.502 15.344 295 HB3 ASP 41 HB1 ASP 41 30.722 13.087 14.272 296 H LYS 42 HN LYS 42 29.511 14.088 18.125 297 HA LYS 42 HA LYS 42 26.780 14.614 17.377 298 HB2 LYS 42 HB2 LYS 42 28.503 15.548 19.657 299 HB3 LYS 42 HB1 LYS 42 26.882 16.174 19.397 300 HG2 LYS 42 HG2 LYS 42 26.005 13.872 19.572 301 HG3 LYS 42 HG1 LYS 42 27.638 13.311 19.943 302 HD2 LYS 42 HD2 LYS 42 27.702 14.703 21.923 303 HD3 LYS 42 HD1 LYS 42 26.123 15.382 21.529 304 HE2 LYS 42 HE2 LYS 42 25.104 13.179 21.799 305 HE3 LYS 42 HE1 LYS 42 26.684 12.488 22.171 306 HZ1 LYS 42 HZ1 LYS 42 25.366 14.628 23.757 307 HZ2 LYS 42 HZ2 LYS 42 26.810 13.830 24.143 308 HZ3 LYS 42 HZ3 LYS 42 25.341 12.984 24.166 309 H ALA 43 HN ALA 43 29.814 16.138 16.806 310 HA ALA 43 HA ALA 43 28.821 18.807 16.533 311 HB1 ALA 43 HB1 ALA 43 31.186 18.367 16.985 312 HB2 ALA 43 HB2 ALA 43 30.978 19.306 15.506 313 HB3 ALA 43 HB3 ALA 43 31.341 17.582 15.413 314 H ARG 44 HN ARG 44 29.298 16.071 14.375 315 HA ARG 44 HA ARG 44 28.548 17.495 12.018 316 HB2 ARG 44 HB2 ARG 44 28.524 14.522 12.556 317 HB3 ARG 44 HB1 ARG 44 28.336 15.272 10.975 318 HG2 ARG 44 HG2 ARG 44 30.651 16.402 11.761 319 HG3 ARG 44 HG1 ARG 44 30.754 14.852 12.600 320 HD2 ARG 44 HD2 ARG 44 31.789 14.676 10.422 321 HD3 ARG 44 HD1 ARG 44 30.320 13.698 10.468 322 HE ARG 44 HE ARG 44 29.513 16.120 9.472 323 HH11 ARG 44 HH11 ARG 44 31.905 13.733 8.525 324 HH12 ARG 44 HH12 ARG 44 31.788 14.127 6.834 325 HH21 ARG 44 HH21 ARG 44 29.379 16.638 7.277 326 HH22 ARG 44 HH22 ARG 44 30.366 15.770 6.128 327 H ILE 45 HN ILE 45 26.792 16.077 14.617 328 HA ILE 45 HA ILE 45 24.259 15.888 13.342 329 HB ILE 45 HB ILE 45 24.913 16.436 16.249 330 HG12 ILE 45 HG12 ILE 45 24.160 13.868 14.833 331 HG13 ILE 45 HG11 ILE 45 25.766 14.281 15.423 332 HG21 ILE 45 HG21 ILE 45 22.302 15.605 14.987 333 HG22 ILE 45 HG22 ILE 45 22.656 17.176 15.708 334 HG23 ILE 45 HG23 ILE 45 22.614 15.730 16.719 335 HD11 ILE 45 HD11 ILE 45 23.310 13.884 17.118 336 HD12 ILE 45 HD12 ILE 45 24.918 14.300 17.712 337 HD13 ILE 45 HD13 ILE 45 24.643 12.745 16.926 338 H ALA 46 HN ALA 46 25.976 18.442 15.065 339 HA ALA 46 HA ALA 46 23.985 20.430 14.863 340 HB1 ALA 46 HB1 ALA 46 25.876 20.612 16.401 341 HB2 ALA 46 HB2 ALA 46 25.785 22.017 15.337 342 HB3 ALA 46 HB3 ALA 46 26.981 20.756 15.034 343 H GLU 47 HN GLU 47 26.574 19.393 12.713 344 HA GLU 47 HA GLU 47 26.343 21.387 10.755 345 HB2 GLU 47 HB2 GLU 47 28.195 19.839 10.691 346 HB3 GLU 47 HB1 GLU 47 27.106 18.471 10.504 347 HG2 GLU 47 HG2 GLU 47 26.396 19.389 8.321 348 HG3 GLU 47 HG1 GLU 47 27.596 20.666 8.506 349 H ALA 48 HN ALA 48 24.789 18.199 10.965 350 HA ALA 48 HA ALA 48 23.150 18.393 8.722 351 HB1 ALA 48 HB1 ALA 48 21.767 16.682 9.787 352 HB2 ALA 48 HB2 ALA 48 22.575 16.982 11.326 353 HB3 ALA 48 HB3 ALA 48 23.483 16.319 9.968 354 H GLU 49 HN GLU 49 22.563 19.370 12.065 355 HA GLU 49 HA GLU 49 19.950 20.293 11.808 356 HB2 GLU 49 HB2 GLU 49 21.056 20.012 13.965 357 HB3 GLU 49 HB1 GLU 49 22.176 21.312 13.582 358 HG2 GLU 49 HG2 GLU 49 20.282 22.879 13.500 359 HG3 GLU 49 HG1 GLU 49 19.208 21.564 13.978 360 H LYS 50 HN LYS 50 23.018 22.043 11.364 361 HA LYS 50 HA LYS 50 21.888 24.552 10.776 362 HB2 LYS 50 HB2 LYS 50 24.527 23.338 9.955 363 HB3 LYS 50 HB1 LYS 50 24.093 25.014 9.651 364 HG2 LYS 50 HG2 LYS 50 23.878 25.390 12.060 365 HG3 LYS 50 HG1 LYS 50 24.339 23.711 12.354 366 HD2 LYS 50 HD2 LYS 50 26.497 24.102 11.301 367 HD3 LYS 50 HD1 LYS 50 26.039 25.766 10.942 368 HE2 LYS 50 HE2 LYS 50 27.466 25.700 12.897 369 HE3 LYS 50 HE1 LYS 50 25.842 26.212 13.349 370 HZ1 LYS 50 HZ1 LYS 50 26.864 24.575 14.879 371 HZ2 LYS 50 HZ2 LYS 50 26.838 23.429 13.631 372 HZ3 LYS 50 HZ3 LYS 50 25.380 24.064 14.234 373 H ALA 51 HN ALA 51 22.768 21.836 8.692 374 HA ALA 51 HA ALA 51 22.315 23.139 6.228 375 HB1 ALA 51 HB1 ALA 51 22.309 20.903 5.256 376 HB2 ALA 51 HB2 ALA 51 22.156 20.195 6.864 377 HB3 ALA 51 HB3 ALA 51 23.618 21.079 6.425 378 H GLY 52 HN GLY 52 20.205 21.218 8.323 379 HA2 GLY 52 HA2 GLY 52 17.844 22.162 8.253 380 HA3 GLY 52 HA1 GLY 52 17.957 21.872 6.524 381 H VAL 53 HN VAL 53 19.487 19.597 8.598 382 HA VAL 53 HA VAL 53 17.526 17.579 7.884 383 HB VAL 53 HB VAL 53 20.101 17.348 9.458 384 HG11 VAL 53 HG11 VAL 53 18.297 15.189 8.368 385 HG12 VAL 53 HG12 VAL 53 18.531 15.588 10.071 386 HG13 VAL 53 HG13 VAL 53 19.868 14.931 9.126 387 HG21 VAL 53 HG21 VAL 53 20.494 17.967 7.147 388 HG22 VAL 53 HG22 VAL 53 19.460 16.648 6.596 389 HG23 VAL 53 HG23 VAL 53 20.979 16.293 7.419 390 H LYS 54 HN LYS 54 15.739 17.582 9.069 391 HA LYS 54 HA LYS 54 15.935 18.182 11.941 392 HB2 LYS 54 HB2 LYS 54 13.521 18.239 10.121 393 HB3 LYS 54 HB1 LYS 54 13.529 18.675 11.824 394 HG2 LYS 54 HG2 LYS 54 15.059 20.522 11.341 395 HG3 LYS 54 HG1 LYS 54 15.029 20.091 9.629 396 HD2 LYS 54 HD2 LYS 54 12.603 20.483 9.593 397 HD3 LYS 54 HD1 LYS 54 12.665 20.954 11.294 398 HE2 LYS 54 HE2 LYS 54 14.201 22.784 10.706 399 HE3 LYS 54 HE1 LYS 54 14.071 22.330 9.007 400 HZ1 LYS 54 HZ1 LYS 54 11.848 23.259 10.743 401 HZ2 LYS 54 HZ2 LYS 54 11.687 22.783 9.124 402 HZ3 LYS 54 HZ3 LYS 54 12.597 24.161 9.514 403 H SER 55 HN SER 55 15.613 15.632 9.819 404 HA SER 55 HA SER 55 14.811 13.868 11.986 405 HB2 SER 55 HB2 SER 55 13.386 13.863 9.311 406 HB3 SER 55 HB1 SER 55 13.120 12.721 10.629 407 HG SER 55 HG SER 55 12.893 15.221 11.561 408 H VAL 56 HN VAL 56 15.318 11.628 11.540 409 HA VAL 56 HA VAL 56 17.336 11.337 9.413 410 HB VAL 56 HB VAL 56 18.318 9.500 10.779 411 HG11 VAL 56 HG11 VAL 56 19.270 11.744 10.845 412 HG12 VAL 56 HG12 VAL 56 19.415 10.950 12.413 413 HG13 VAL 56 HG13 VAL 56 18.175 12.178 12.159 414 HG21 VAL 56 HG21 VAL 56 17.724 9.322 13.151 415 HG22 VAL 56 HG22 VAL 56 16.359 8.919 12.110 416 HG23 VAL 56 HG23 VAL 56 16.422 10.489 12.910 417 HA PRO 57 HA PRO 57 18.275 10.130 8.336 418 HB2 PRO 57 HB2 PRO 57 18.479 8.855 5.997 419 HB3 PRO 57 HB1 PRO 57 18.693 8.003 7.530 420 HG2 PRO 57 HG2 PRO 57 16.408 7.953 5.642 421 HG3 PRO 57 HG1 PRO 57 16.991 6.691 6.739 422 HD2 PRO 57 HD2 PRO 57 14.821 8.484 7.164 423 HD3 PRO 57 HD1 PRO 57 15.500 7.323 8.321 424 H ALA 58 HN ALA 58 19.064 11.342 6.420 425 HA ALA 58 HA ALA 58 16.998 12.460 4.684 426 HB1 ALA 58 HB1 ALA 58 17.625 14.764 5.196 427 HB2 ALA 58 HB2 ALA 58 18.744 14.192 6.434 428 HB3 ALA 58 HB3 ALA 58 17.008 13.942 6.629 429 H LEU 59 HN LEU 59 17.794 13.246 2.740 430 HA LEU 59 HA LEU 59 20.704 12.986 2.352 431 HB2 LEU 59 HB2 LEU 59 19.217 11.161 1.326 432 HB3 LEU 59 HB1 LEU 59 18.655 12.398 0.222 433 HG LEU 59 HG LEU 59 21.586 11.747 0.466 434 HD11 LEU 59 HD11 LEU 59 20.433 9.654 -0.015 435 HD12 LEU 59 HD12 LEU 59 21.321 10.224 -1.429 436 HD13 LEU 59 HD13 LEU 59 19.570 10.425 -1.346 437 HD21 LEU 59 HD21 LEU 59 21.002 13.806 -0.704 438 HD22 LEU 59 HD22 LEU 59 19.904 12.910 -1.754 439 HD23 LEU 59 HD23 LEU 59 21.639 12.605 -1.829 440 H VAL 60 HN VAL 60 21.613 14.804 1.789 441 HA VAL 60 HA VAL 60 19.989 17.053 0.906 442 HB VAL 60 HB VAL 60 22.948 16.972 1.522 443 HG11 VAL 60 HG11 VAL 60 21.028 19.285 1.290 444 HG12 VAL 60 HG12 VAL 60 22.304 18.867 0.146 445 HG13 VAL 60 HG13 VAL 60 22.719 19.399 1.775 446 HG21 VAL 60 HG21 VAL 60 20.647 17.734 3.316 447 HG22 VAL 60 HG22 VAL 60 22.356 17.930 3.702 448 HG23 VAL 60 HG23 VAL 60 21.681 16.316 3.488 449 H ILE 61 HN ILE 61 19.572 17.050 -1.218 450 HA ILE 61 HA ILE 61 21.609 16.163 -3.109 451 HB ILE 61 HB ILE 61 18.794 17.127 -3.664 452 HG12 ILE 61 HG12 ILE 61 19.907 14.317 -3.494 453 HG13 ILE 61 HG11 ILE 61 18.798 15.058 -2.347 454 HG21 ILE 61 HG21 ILE 61 20.794 15.732 -5.441 455 HG22 ILE 61 HG22 ILE 61 20.271 17.411 -5.574 456 HG23 ILE 61 HG23 ILE 61 19.126 16.104 -5.873 457 HD11 ILE 61 HD11 ILE 61 17.628 13.548 -3.833 458 HD12 ILE 61 HD12 ILE 61 18.214 14.444 -5.236 459 HD13 ILE 61 HD13 ILE 61 17.100 15.209 -4.101 460 H ASP 62 HN ASP 62 23.131 17.751 -2.993 461 HA ASP 62 HA ASP 62 24.184 19.707 -3.445 462 HB2 ASP 62 HB2 ASP 62 23.365 18.938 -5.722 463 HB3 ASP 62 HB1 ASP 62 22.056 20.106 -5.551 464 H GLY 63 HN GLY 63 22.541 20.000 -1.293 465 HA2 GLY 63 HA2 GLY 63 22.379 22.156 -0.168 466 HA3 GLY 63 HA1 GLY 63 21.675 22.800 -1.642 467 H ALA 64 HN ALA 64 19.877 20.604 -2.116 468 HA ALA 64 HA ALA 64 17.809 21.422 -0.247 469 HB1 ALA 64 HB1 ALA 64 17.641 19.659 -2.689 470 HB2 ALA 64 HB2 ALA 64 17.319 21.393 -2.638 471 HB3 ALA 64 HB3 ALA 64 16.275 20.276 -1.761 472 H ALA 65 HN ALA 65 17.597 20.351 1.602 473 HA ALA 65 HA ALA 65 18.548 17.611 1.825 474 HB1 ALA 65 HB1 ALA 65 18.281 17.911 4.225 475 HB2 ALA 65 HB2 ALA 65 17.505 19.472 3.956 476 HB3 ALA 65 HB3 ALA 65 19.200 19.246 3.529 477 H PHE 66 HN PHE 66 17.164 16.081 1.213 478 HA PHE 66 HA PHE 66 14.336 16.351 1.988 479 HB2 PHE 66 HB2 PHE 66 15.580 14.560 -0.113 480 HB3 PHE 66 HB1 PHE 66 13.864 14.653 0.266 481 HD1 PHE 66 HD1 PHE 66 12.770 16.997 0.015 482 HD2 PHE 66 HD2 PHE 66 16.450 15.865 -1.795 483 HE1 PHE 66 HE1 PHE 66 12.498 18.790 -1.648 484 HE2 PHE 66 HE2 PHE 66 16.187 17.655 -3.462 485 HZ PHE 66 HZ PHE 66 14.210 19.120 -3.389 486 H HIS 67 HN HIS 67 13.658 15.140 3.624 487 HA HIS 67 HA HIS 67 15.322 13.123 4.794 488 HB2 HIS 67 HB2 HIS 67 12.430 13.817 5.375 489 HB3 HIS 67 HB1 HIS 67 13.477 12.830 6.389 490 HD1 HIS 67 HD1 HIS 67 12.647 16.366 5.586 491 HD2 HIS 67 HD2 HIS 67 15.479 14.254 7.770 492 HE1 HIS 67 HE1 HIS 67 13.786 18.051 7.089 493 H ILE 68 HN ILE 68 15.447 11.063 4.149 494 HA ILE 68 HA ILE 68 13.394 10.088 2.302 495 HB ILE 68 HB ILE 68 16.139 8.953 2.865 496 HG12 ILE 68 HG12 ILE 68 15.063 10.539 0.521 497 HG13 ILE 68 HG11 ILE 68 16.241 11.102 1.702 498 HG21 ILE 68 HG21 ILE 68 14.563 7.221 2.195 499 HG22 ILE 68 HG22 ILE 68 15.715 7.540 0.898 500 HG23 ILE 68 HG23 ILE 68 14.076 8.183 0.800 501 HD11 ILE 68 HD11 ILE 68 17.302 10.484 -0.390 502 HD12 ILE 68 HD12 ILE 68 16.642 8.853 -0.256 503 HD13 ILE 68 HD13 ILE 68 17.826 9.424 0.920 504 H ASN 69 HN ASN 69 11.796 9.208 3.352 505 HA ASN 69 HA ASN 69 10.567 7.730 4.520 506 HB2 ASN 69 HB2 ASN 69 12.338 6.073 3.674 507 HB3 ASN 69 HB1 ASN 69 13.049 6.202 5.281 508 HD21 ASN 69 HD21 ASN 69 12.624 4.036 5.725 509 HD22 ASN 69 HD22 ASN 69 11.025 3.469 6.063 510 H PHE 70 HN PHE 70 9.904 9.116 6.035 511 HA PHE 70 HA PHE 70 11.363 10.299 8.057 512 HB2 PHE 70 HB2 PHE 70 9.148 11.073 7.413 513 HB3 PHE 70 HB1 PHE 70 8.423 9.588 8.018 514 HD1 PHE 70 HD1 PHE 70 10.342 12.581 9.089 515 HD2 PHE 70 HD2 PHE 70 7.706 9.438 10.226 516 HE1 PHE 70 HE1 PHE 70 10.045 13.631 11.295 517 HE2 PHE 70 HE2 PHE 70 7.406 10.482 12.433 518 HZ PHE 70 HZ PHE 70 8.577 12.582 12.970 519 H GLY 71 HN GLY 71 12.498 9.375 9.599 520 HA2 GLY 71 HA2 GLY 71 11.435 6.958 10.901 521 HA3 GLY 71 HA1 GLY 71 13.125 7.444 10.888 522 H ALA 72 HN ALA 72 13.696 9.403 12.094 523 HA ALA 72 HA ALA 72 11.823 10.051 14.257 524 HB1 ALA 72 HB1 ALA 72 13.234 8.234 15.097 525 HB2 ALA 72 HB2 ALA 72 13.539 9.742 15.960 526 HB3 ALA 72 HB3 ALA 72 14.674 9.184 14.730 527 H GLY 73 HN GLY 73 12.300 12.032 15.358 528 HA2 GLY 73 HA2 GLY 73 13.427 14.028 13.630 529 HA3 GLY 73 HA1 GLY 73 12.768 14.290 15.239 530 H ILE 74 HN ILE 74 15.240 15.312 13.954 531 HA ILE 74 HA ILE 74 17.476 13.941 15.053 532 HB ILE 74 HB ILE 74 17.591 15.465 13.075 533 HG12 ILE 74 HG12 ILE 74 19.454 16.198 15.346 534 HG13 ILE 74 HG11 ILE 74 19.611 14.770 14.329 535 HG21 ILE 74 HG21 ILE 74 17.791 17.882 13.456 536 HG22 ILE 74 HG22 ILE 74 17.376 17.640 15.153 537 HG23 ILE 74 HG23 ILE 74 16.194 17.275 13.895 538 HD11 ILE 74 HD11 ILE 74 21.145 16.503 13.627 539 HD12 ILE 74 HD12 ILE 74 19.804 17.628 13.413 540 HD13 ILE 74 HD13 ILE 74 19.936 16.207 12.376 541 H ASP 75 HN ASP 75 15.287 16.338 16.285 542 HA ASP 75 HA ASP 75 17.022 17.209 18.401 543 HB2 ASP 75 HB2 ASP 75 14.110 17.700 17.814 544 HB3 ASP 75 HB1 ASP 75 14.881 18.283 19.288 545 H ASP 76 HN ASP 76 15.137 14.475 17.919 546 HA ASP 76 HA ASP 76 14.481 13.961 20.665 547 HB2 ASP 76 HB2 ASP 76 13.238 12.903 18.806 548 HB3 ASP 76 HB1 ASP 76 14.700 12.046 18.327 549 H LEU 77 HN LEU 77 17.186 13.476 18.571 550 HA LEU 77 HA LEU 77 18.550 11.604 20.294 551 HB2 LEU 77 HB2 LEU 77 19.552 13.147 17.897 552 HB3 LEU 77 HB1 LEU 77 20.392 11.825 18.687 553 HG LEU 77 HG LEU 77 17.733 11.574 17.280 554 HD11 LEU 77 HD11 LEU 77 19.535 12.069 15.714 555 HD12 LEU 77 HD12 LEU 77 18.981 10.404 15.544 556 HD13 LEU 77 HD13 LEU 77 20.491 10.749 16.388 557 HD21 LEU 77 HD21 LEU 77 18.043 9.955 19.087 558 HD22 LEU 77 HD22 LEU 77 19.596 9.481 18.399 559 HD23 LEU 77 HD23 LEU 77 18.107 9.174 17.507 560 H LYS 78 HN LYS 78 17.995 14.849 20.474 561 HA LYS 78 HA LYS 78 20.579 15.824 21.189 562 HB2 LYS 78 HB2 LYS 78 17.830 16.947 21.748 563 HB3 LYS 78 HB1 LYS 78 19.337 17.800 22.044 564 HG2 LYS 78 HG2 LYS 78 18.402 16.846 19.347 565 HG3 LYS 78 HG1 LYS 78 18.221 18.489 19.962 566 HD2 LYS 78 HD2 LYS 78 20.688 18.623 20.183 567 HD3 LYS 78 HD1 LYS 78 20.807 17.028 19.440 568 HE2 LYS 78 HE2 LYS 78 21.189 18.839 17.822 569 HE3 LYS 78 HE1 LYS 78 19.781 17.862 17.409 570 HZ1 LYS 78 HZ1 LYS 78 18.325 19.549 18.077 571 HZ2 LYS 78 HZ2 LYS 78 19.557 20.382 17.253 572 HZ3 LYS 78 HZ3 LYS 78 19.525 20.375 18.946 573 H GLY 79 HN GLY 79 18.275 13.937 22.813 574 HA2 GLY 79 HA2 GLY 79 19.081 14.835 25.472 575 HA3 GLY 79 HA1 GLY 79 17.810 13.678 25.106 576 H SER 80 HN SER 80 21.100 13.573 23.866 577 HA SER 80 HA SER 80 21.422 10.939 25.090 578 HB2 SER 80 HB2 SER 80 23.172 12.322 23.041 579 HB3 SER 80 HB1 SER 80 23.271 10.634 23.535 580 HG SER 80 HG SER 80 21.281 11.931 22.007 581 H1 VAL 1 HT1 VAL 1 20.248 -2.358 -13.393 582 H2 VAL 1 HT2 VAL 1 20.669 -3.517 -12.231 583 H3 VAL 1 HT3 VAL 1 19.944 -2.060 -11.756 584 HA VAL 1 HA VAL 1 18.654 -4.122 -13.439 585 HB VAL 1 HB VAL 1 18.024 -3.400 -10.573 586 HG11 VAL 1 HG11 VAL 1 17.035 -5.627 -12.351 587 HG12 VAL 1 HG12 VAL 1 16.116 -4.214 -11.831 588 HG13 VAL 1 HG13 VAL 1 16.627 -5.418 -10.648 589 HG21 VAL 1 HG21 VAL 1 19.514 -5.801 -11.625 590 HG22 VAL 1 HG22 VAL 1 18.972 -5.580 -9.961 591 HG23 VAL 1 HG23 VAL 1 20.187 -4.499 -10.645 592 H ALA 2 HN ALA 2 16.756 -3.499 -14.345 593 HA ALA 2 HA ALA 2 15.928 -0.725 -13.940 594 HB1 ALA 2 HB1 ALA 2 14.579 -1.029 -15.961 595 HB2 ALA 2 HB2 ALA 2 15.067 -2.722 -16.034 596 HB3 ALA 2 HB3 ALA 2 16.268 -1.448 -16.246 597 H SER 3 HN SER 3 14.781 -0.742 -12.052 598 HA SER 3 HA SER 3 12.575 -2.668 -11.830 599 HB2 SER 3 HB2 SER 3 14.006 -1.093 -9.679 600 HB3 SER 3 HB1 SER 3 12.632 -2.163 -9.395 601 HG SER 3 HG SER 3 13.852 -3.901 -9.889 602 H LYS 4 HN LYS 4 10.682 -1.858 -10.573 603 HA LYS 4 HA LYS 4 9.617 0.484 -11.875 604 HB2 LYS 4 HB2 LYS 4 8.378 -1.666 -11.485 605 HB3 LYS 4 HB1 LYS 4 8.373 -1.292 -9.770 606 HG2 LYS 4 HG2 LYS 4 7.123 0.801 -10.315 607 HG3 LYS 4 HG1 LYS 4 6.992 0.210 -11.975 608 HD2 LYS 4 HD2 LYS 4 6.044 -1.937 -10.894 609 HD3 LYS 4 HD1 LYS 4 5.802 -0.925 -9.468 610 HE2 LYS 4 HE2 LYS 4 3.780 -1.011 -10.809 611 HE3 LYS 4 HE1 LYS 4 4.451 0.621 -10.807 612 HZ1 LYS 4 HZ1 LYS 4 5.260 0.357 -12.980 613 HZ2 LYS 4 HZ2 LYS 4 3.686 -0.270 -13.021 614 HZ3 LYS 4 HZ3 LYS 4 5.016 -1.324 -12.972 615 H ALA 5 HN ALA 5 9.721 2.491 -11.065 616 HA ALA 5 HA ALA 5 9.945 2.809 -8.140 617 HB1 ALA 5 HB1 ALA 5 11.273 4.815 -8.520 618 HB2 ALA 5 HB2 ALA 5 11.147 4.585 -10.264 619 HB3 ALA 5 HB3 ALA 5 12.031 3.417 -9.282 620 H ILE 6 HN ILE 6 8.029 3.499 -7.413 621 HA ILE 6 HA ILE 6 6.386 5.184 -9.170 622 HB ILE 6 HB ILE 6 5.513 3.833 -6.613 623 HG12 ILE 6 HG12 ILE 6 5.183 2.857 -9.463 624 HG13 ILE 6 HG11 ILE 6 6.304 2.173 -8.289 625 HG21 ILE 6 HG21 ILE 6 3.261 4.172 -7.535 626 HG22 ILE 6 HG22 ILE 6 3.964 4.986 -8.933 627 HG23 ILE 6 HG23 ILE 6 4.118 5.700 -7.328 628 HD11 ILE 6 HD11 ILE 6 4.428 1.520 -6.877 629 HD12 ILE 6 HD12 ILE 6 4.297 0.824 -8.493 630 HD13 ILE 6 HD13 ILE 6 3.305 2.212 -8.048 631 H PHE 7 HN PHE 7 5.847 7.234 -8.651 632 HA PHE 7 HA PHE 7 6.851 8.273 -6.076 633 HB2 PHE 7 HB2 PHE 7 8.141 9.048 -8.069 634 HB3 PHE 7 HB1 PHE 7 6.666 9.761 -8.707 635 HD1 PHE 7 HD2 PHE 7 5.729 11.772 -7.719 636 HD2 PHE 7 HD1 PHE 7 9.324 10.054 -6.230 637 HE1 PHE 7 HE2 PHE 7 6.217 13.856 -6.510 638 HE2 PHE 7 HE1 PHE 7 9.822 12.137 -5.020 639 HZ PHE 7 HZ PHE 7 8.266 14.042 -5.158 640 H TYR 8 HN TYR 8 5.082 8.481 -4.826 641 HA TYR 8 HA TYR 8 2.589 9.472 -6.004 642 HB2 TYR 8 HB2 TYR 8 3.244 8.278 -3.309 643 HB3 TYR 8 HB1 TYR 8 1.689 9.020 -3.659 644 HD1 TYR 8 HD1 TYR 8 0.257 8.018 -5.480 645 HD2 TYR 8 HD2 TYR 8 3.693 6.051 -3.925 646 HE1 TYR 8 HE1 TYR 8 -0.588 5.876 -6.343 647 HE2 TYR 8 HE2 TYR 8 2.861 3.902 -4.788 648 HH TYR 8 HH TYR 8 0.110 3.709 -6.913 649 H HIS 9 HN HIS 9 1.817 11.506 -5.632 650 HA HIS 9 HA HIS 9 2.758 12.948 -3.298 651 HB2 HIS 9 HB2 HIS 9 3.490 14.914 -4.480 652 HB3 HIS 9 HB1 HIS 9 4.399 13.524 -5.051 653 HD2 HIS 9 HD2 HIS 9 3.430 12.557 -7.637 654 HE1 HIS 9 HE1 HIS 9 2.133 16.448 -8.655 655 HE2 HIS 9 HE2 HIS 9 2.934 14.226 -9.559 656 H ALA 10 HN ALA 10 1.516 14.977 -2.926 657 HA ALA 10 HA ALA 10 -1.259 14.405 -3.695 658 HB1 ALA 10 HB1 ALA 10 -1.924 15.390 -1.582 659 HB2 ALA 10 HB2 ALA 10 -0.242 15.779 -1.220 660 HB3 ALA 10 HB3 ALA 10 -0.753 14.094 -1.332 661 H GLY 11 HN GLY 11 0.830 17.238 -2.902 662 HA2 GLY 11 HA2 GLY 11 -1.156 18.870 -4.336 663 HA3 GLY 11 HA1 GLY 11 -0.146 19.460 -3.024 664 H CYS 12 HN CYS 12 1.672 20.467 -3.523 665 HA CYS 12 HA CYS 12 2.950 20.022 -6.073 666 HB2 CYS 12 HB2 CYS 12 1.705 22.700 -5.445 667 HB3 CYS 12 HB1 CYS 12 2.887 22.442 -6.716 668 HG CYS 12 HG CYS 12 1.161 20.489 -7.984 669 HA PRO 13 HA PRO 13 5.707 23.325 -3.889 670 HB2 PRO 13 HB2 PRO 13 4.748 23.252 -1.080 671 HB3 PRO 13 HB1 PRO 13 5.273 24.627 -2.057 672 HG2 PRO 13 HG2 PRO 13 2.697 24.263 -1.534 673 HG3 PRO 13 HG1 PRO 13 3.222 24.808 -3.139 674 HD2 PRO 13 HD2 PRO 13 2.380 22.072 -2.247 675 HD3 PRO 13 HD1 PRO 13 1.973 22.944 -3.736 676 H VAL 14 HN VAL 14 4.667 21.001 -1.391 677 HA VAL 14 HA VAL 14 7.263 20.401 -0.488 678 HB VAL 14 HB VAL 14 4.680 18.854 -0.258 679 HG11 VAL 14 HG11 VAL 14 6.467 17.260 -0.022 680 HG12 VAL 14 HG12 VAL 14 5.794 17.604 1.570 681 HG13 VAL 14 HG13 VAL 14 7.328 18.327 1.088 682 HG21 VAL 14 HG21 VAL 14 4.682 21.010 0.862 683 HG22 VAL 14 HG22 VAL 14 6.178 20.595 1.696 684 HG23 VAL 14 HG23 VAL 14 4.698 19.702 2.044 685 H CYS 15 HN CYS 15 5.283 18.932 -3.018 686 HA CYS 15 HA CYS 15 7.078 16.645 -3.090 687 HB2 CYS 15 HB2 CYS 15 5.324 15.751 -4.703 688 HB3 CYS 15 HB1 CYS 15 4.850 15.968 -3.023 689 HG CYS 15 HG CYS 15 3.214 16.921 -5.543 690 H VAL 16 HN VAL 16 5.996 19.243 -5.277 691 HA VAL 16 HA VAL 16 7.075 18.140 -7.630 692 HB VAL 16 HB VAL 16 6.567 21.038 -6.934 693 HG11 VAL 16 HG11 VAL 16 6.680 21.481 -9.339 694 HG12 VAL 16 HG12 VAL 16 7.159 19.808 -9.627 695 HG13 VAL 16 HG13 VAL 16 8.224 20.887 -8.728 696 HG21 VAL 16 HG21 VAL 16 4.573 20.732 -8.338 697 HG22 VAL 16 HG22 VAL 16 4.570 19.652 -6.943 698 HG23 VAL 16 HG23 VAL 16 4.988 19.030 -8.540 699 H SER 17 HN SER 17 8.539 20.233 -5.183 700 HA SER 17 HA SER 17 10.950 20.731 -6.520 701 HB2 SER 17 HB2 SER 17 10.468 20.478 -3.539 702 HB3 SER 17 HB1 SER 17 11.855 21.262 -4.297 703 HG SER 17 HG SER 17 10.093 22.697 -3.633 704 H ALA 18 HN ALA 18 10.029 18.106 -4.306 705 HA ALA 18 HA ALA 18 12.524 16.749 -4.436 706 HB1 ALA 18 HB1 ALA 18 10.917 16.404 -2.610 707 HB2 ALA 18 HB2 ALA 18 11.352 14.887 -3.396 708 HB3 ALA 18 HB3 ALA 18 9.799 15.647 -3.745 709 H GLU 19 HN GLU 19 9.526 16.570 -6.242 710 HA GLU 19 HA GLU 19 9.916 14.292 -7.767 711 HB2 GLU 19 HB2 GLU 19 7.838 15.628 -7.722 712 HB3 GLU 19 HB1 GLU 19 8.647 16.907 -8.614 713 HG2 GLU 19 HG2 GLU 19 9.004 15.243 -10.461 714 HG3 GLU 19 HG1 GLU 19 7.934 14.154 -9.578 715 H GLN 20 HN GLN 20 10.761 17.641 -8.634 716 HA GLN 20 HA GLN 20 12.049 16.868 -11.048 717 HB2 GLN 20 HB2 GLN 20 12.152 19.464 -9.512 718 HB3 GLN 20 HB1 GLN 20 12.795 19.231 -11.133 719 HG2 GLN 20 HG2 GLN 20 10.567 18.714 -11.959 720 HG3 GLN 20 HG1 GLN 20 9.911 18.907 -10.333 721 HE21 GLN 20 HE21 GLN 20 9.261 20.348 -12.779 722 HE22 GLN 20 HE22 GLN 20 9.568 22.021 -12.448 723 H ALA 21 HN ALA 21 13.136 17.098 -7.769 724 HA ALA 21 HA ALA 21 15.926 17.256 -8.487 725 HB1 ALA 21 HB1 ALA 21 16.376 16.985 -6.125 726 HB2 ALA 21 HB2 ALA 21 14.693 16.543 -5.830 727 HB3 ALA 21 HB3 ALA 21 15.096 18.176 -6.361 728 H VAL 22 HN VAL 22 13.875 14.716 -7.026 729 HA VAL 22 HA VAL 22 15.988 12.803 -7.067 730 HB VAL 22 HB VAL 22 13.033 12.300 -6.686 731 HG11 VAL 22 HG11 VAL 22 13.762 10.284 -5.508 732 HG12 VAL 22 HG12 VAL 22 15.441 10.664 -5.891 733 HG13 VAL 22 HG13 VAL 22 14.306 10.278 -7.186 734 HG21 VAL 22 HG21 VAL 22 15.185 12.887 -4.653 735 HG22 VAL 22 HG22 VAL 22 13.531 12.404 -4.280 736 HG23 VAL 22 HG23 VAL 22 13.841 13.942 -5.083 737 H ALA 23 HN ALA 23 13.203 13.416 -9.184 738 HA ALA 23 HA ALA 23 13.568 11.006 -10.686 739 HB1 ALA 23 HB1 ALA 23 11.880 11.876 -12.182 740 HB2 ALA 23 HB2 ALA 23 12.014 13.473 -11.446 741 HB3 ALA 23 HB3 ALA 23 11.386 12.119 -10.507 742 H ASN 24 HN ASN 24 15.226 13.934 -10.638 743 HA ASN 24 HA ASN 24 16.285 13.476 -13.341 744 HB2 ASN 24 HB2 ASN 24 16.254 15.882 -11.548 745 HB3 ASN 24 HB1 ASN 24 17.479 15.741 -12.803 746 HD21 ASN 24 HD21 ASN 24 15.212 17.610 -12.465 747 HD22 ASN 24 HD22 ASN 24 14.309 17.496 -13.935 748 H ALA 25 HN ALA 25 16.897 12.890 -10.107 749 HA ALA 25 HA ALA 25 19.783 12.746 -10.373 750 HB1 ALA 25 HB1 ALA 25 18.820 13.412 -8.229 751 HB2 ALA 25 HB2 ALA 25 19.742 11.917 -8.070 752 HB3 ALA 25 HB3 ALA 25 17.981 11.865 -8.117 753 H ILE 26 HN ILE 26 16.990 10.649 -10.439 754 HA ILE 26 HA ILE 26 18.724 8.324 -10.914 755 HB ILE 26 HB ILE 26 15.759 8.408 -10.309 756 HG12 ILE 26 HG12 ILE 26 18.088 7.553 -8.574 757 HG13 ILE 26 HG11 ILE 26 17.184 9.052 -8.392 758 HG21 ILE 26 HG21 ILE 26 15.952 5.976 -10.054 759 HG22 ILE 26 HG22 ILE 26 17.636 6.061 -10.569 760 HG23 ILE 26 HG23 ILE 26 16.348 6.496 -11.692 761 HD11 ILE 26 HD11 ILE 26 16.478 7.408 -6.761 762 HD12 ILE 26 HD12 ILE 26 16.093 6.268 -8.051 763 HD13 ILE 26 HD13 ILE 26 15.168 7.761 -7.889 764 H ASP 27 HN ASP 27 18.851 7.460 -12.902 765 HA ASP 27 HA ASP 27 17.693 8.743 -15.143 766 HB2 ASP 27 HB2 ASP 27 19.023 6.036 -14.911 767 HB3 ASP 27 HB1 ASP 27 18.576 6.796 -16.435 768 HA PRO 28 HA PRO 28 13.679 6.766 -15.104 769 HB2 PRO 28 HB2 PRO 28 13.616 7.643 -17.928 770 HB3 PRO 28 HB1 PRO 28 12.502 8.017 -16.608 771 HG2 PRO 28 HG2 PRO 28 14.198 9.858 -17.553 772 HG3 PRO 28 HG1 PRO 28 13.802 9.764 -15.827 773 HD2 PRO 28 HD2 PRO 28 16.249 8.809 -17.265 774 HD3 PRO 28 HD1 PRO 28 16.110 9.616 -15.688 775 H SER 29 HN SER 29 16.232 6.227 -17.394 776 HA SER 29 HA SER 29 15.109 3.863 -18.563 777 HB2 SER 29 HB2 SER 29 18.006 4.743 -18.506 778 HB3 SER 29 HB1 SER 29 17.259 3.617 -19.641 779 HG SER 29 HG SER 29 16.123 5.280 -20.560 780 H LYS 30 HN LYS 30 17.229 4.644 -15.894 781 HA LYS 30 HA LYS 30 18.128 1.978 -15.391 782 HB2 LYS 30 HB2 LYS 30 19.363 4.049 -14.727 783 HB3 LYS 30 HB1 LYS 30 18.109 4.373 -13.540 784 HG2 LYS 30 HG2 LYS 30 18.667 2.183 -12.475 785 HG3 LYS 30 HG1 LYS 30 20.045 2.073 -13.576 786 HD2 LYS 30 HD2 LYS 30 20.881 4.218 -12.709 787 HD3 LYS 30 HD1 LYS 30 19.528 4.274 -11.579 788 HE2 LYS 30 HE2 LYS 30 21.432 3.464 -10.396 789 HE3 LYS 30 HE1 LYS 30 20.328 2.111 -10.630 790 HZ1 LYS 30 HZ1 LYS 30 21.685 1.282 -12.390 791 HZ2 LYS 30 HZ2 LYS 30 22.695 1.590 -11.063 792 HZ3 LYS 30 HZ3 LYS 30 22.666 2.665 -12.369 793 H TYR 31 HN TYR 31 15.807 4.161 -13.829 794 HA TYR 31 HA TYR 31 14.291 1.793 -12.983 795 HB2 TYR 31 HB2 TYR 31 14.838 4.259 -11.310 796 HB3 TYR 31 HB1 TYR 31 13.639 3.036 -10.903 797 HD1 TYR 31 HD2 TYR 31 14.485 0.625 -10.592 798 HD2 TYR 31 HD1 TYR 31 17.047 4.019 -10.603 799 HE1 TYR 31 HE2 TYR 31 16.213 -0.684 -9.432 800 HE2 TYR 31 HE1 TYR 31 18.781 2.721 -9.443 801 HH TYR 31 HH TYR 31 18.933 0.725 -7.994 802 H THR 32 HN THR 32 12.189 1.885 -13.515 803 HA THR 32 HA THR 32 11.356 4.060 -15.192 804 HB THR 32 HB THR 32 9.677 1.739 -14.225 805 HG1 THR 32 HG1 THR 32 11.868 1.759 -15.802 806 HG21 THR 32 HG21 THR 32 8.432 3.567 -15.297 807 HG22 THR 32 HG22 THR 32 8.440 2.122 -16.308 808 HG23 THR 32 HG23 THR 32 9.502 3.475 -16.695 809 H VAL 33 HN VAL 33 11.016 5.907 -14.107 810 HA VAL 33 HA VAL 33 9.708 5.942 -11.541 811 HB VAL 33 HB VAL 33 10.547 8.279 -13.266 812 HG11 VAL 33 HG11 VAL 33 8.901 8.878 -11.577 813 HG12 VAL 33 HG12 VAL 33 10.482 9.549 -11.172 814 HG13 VAL 33 HG13 VAL 33 9.887 8.119 -10.328 815 HG21 VAL 33 HG21 VAL 33 12.470 6.889 -12.755 816 HG22 VAL 33 HG22 VAL 33 12.034 6.873 -11.046 817 HG23 VAL 33 HG23 VAL 33 12.537 8.379 -11.813 818 H GLU 34 HN GLU 34 7.604 5.628 -11.496 819 HA GLU 34 HA GLU 34 5.900 6.967 -13.481 820 HB2 GLU 34 HB2 GLU 34 5.330 4.676 -11.591 821 HB3 GLU 34 HB1 GLU 34 4.120 5.427 -12.623 822 HG2 GLU 34 HG2 GLU 34 5.320 4.745 -14.599 823 HG3 GLU 34 HG1 GLU 34 6.628 4.094 -13.614 824 H ILE 35 HN ILE 35 5.328 8.922 -12.808 825 HA ILE 35 HA ILE 35 5.091 9.472 -9.956 826 HB ILE 35 HB ILE 35 4.860 11.425 -12.249 827 HG12 ILE 35 HG12 ILE 35 7.305 10.730 -10.599 828 HG13 ILE 35 HG11 ILE 35 7.039 10.224 -12.265 829 HG21 ILE 35 HG21 ILE 35 5.399 13.091 -10.543 830 HG22 ILE 35 HG22 ILE 35 5.455 11.824 -9.317 831 HG23 ILE 35 HG23 ILE 35 3.934 12.201 -10.127 832 HD11 ILE 35 HD11 ILE 35 7.045 12.556 -12.974 833 HD12 ILE 35 HD12 ILE 35 8.541 12.125 -12.145 834 HD13 ILE 35 HD13 ILE 35 7.305 13.063 -11.306 835 H VAL 36 HN VAL 36 3.212 9.811 -8.928 836 HA VAL 36 HA VAL 36 0.747 9.822 -10.548 837 HB VAL 36 HB VAL 36 1.212 8.356 -7.944 838 HG11 VAL 36 HG11 VAL 36 -1.240 8.530 -9.686 839 HG12 VAL 36 HG12 VAL 36 -1.046 9.219 -8.072 840 HG13 VAL 36 HG13 VAL 36 -1.050 7.468 -8.291 841 HG21 VAL 36 HG21 VAL 36 0.758 7.303 -10.735 842 HG22 VAL 36 HG22 VAL 36 0.877 6.324 -9.273 843 HG23 VAL 36 HG23 VAL 36 2.274 7.243 -9.835 844 H HIS 37 HN HIS 37 -0.416 11.590 -10.221 845 HA HIS 37 HA HIS 37 -0.044 13.193 -7.818 846 HB2 HIS 37 HB2 HIS 37 -0.178 14.133 -10.215 847 HB3 HIS 37 HB1 HIS 37 -1.905 13.821 -10.109 848 HD2 HIS 37 HD2 HIS 37 0.341 16.673 -9.657 849 HE1 HIS 37 HE1 HIS 37 -2.685 17.273 -6.767 850 HE2 HIS 37 HE2 HIS 37 -0.593 18.238 -7.815 851 H LEU 38 HN LEU 38 -1.289 12.851 -6.098 852 HA LEU 38 HA LEU 38 -3.610 11.147 -6.278 853 HB2 LEU 38 HB2 LEU 38 -2.474 12.612 -3.901 854 HB3 LEU 38 HB1 LEU 38 -3.674 11.336 -3.848 855 HG LEU 38 HG LEU 38 -0.817 11.021 -4.767 856 HD11 LEU 38 HD11 LEU 38 -0.561 9.710 -2.726 857 HD12 LEU 38 HD12 LEU 38 -2.221 10.095 -2.268 858 HD13 LEU 38 HD13 LEU 38 -1.014 11.378 -2.370 859 HD21 LEU 38 HD21 LEU 38 -2.336 9.516 -5.948 860 HD22 LEU 38 HD22 LEU 38 -3.003 8.974 -4.407 861 HD23 LEU 38 HD23 LEU 38 -1.320 8.632 -4.809 862 H GLY 39 HN GLY 39 -3.017 14.540 -6.149 863 HA2 GLY 39 HA2 GLY 39 -5.541 15.321 -5.061 864 HA3 GLY 39 HA1 GLY 39 -4.409 16.360 -5.916 865 H THR 40 HN THR 40 -4.379 14.533 -8.241 866 HA THR 40 HA THR 40 -6.615 15.666 -9.641 867 HB THR 40 HB THR 40 -4.663 13.571 -10.623 868 HG1 THR 40 HG1 THR 40 -4.376 16.280 -10.131 869 HG21 THR 40 HG21 THR 40 -6.661 13.823 -12.020 870 HG22 THR 40 HG22 THR 40 -5.230 14.442 -12.844 871 HG23 THR 40 HG23 THR 40 -6.382 15.561 -12.113 872 H ASP 41 HN ASP 41 -5.672 12.430 -8.548 873 HA ASP 41 HA ASP 41 -8.429 11.530 -9.010 874 HB2 ASP 41 HB2 ASP 41 -7.142 10.722 -10.902 875 HB3 ASP 41 HB1 ASP 41 -5.919 10.056 -9.827 876 H LYS 42 HN LYS 42 -9.230 10.913 -7.124 877 HA LYS 42 HA LYS 42 -7.506 10.336 -4.905 878 HB2 LYS 42 HB2 LYS 42 -10.513 10.263 -5.142 879 HB3 LYS 42 HB1 LYS 42 -9.627 10.036 -3.640 880 HG2 LYS 42 HG2 LYS 42 -8.646 12.301 -3.951 881 HG3 LYS 42 HG1 LYS 42 -9.710 12.514 -5.344 882 HD2 LYS 42 HD2 LYS 42 -11.655 12.134 -3.878 883 HD3 LYS 42 HD1 LYS 42 -10.565 12.004 -2.497 884 HE2 LYS 42 HE2 LYS 42 -9.767 14.298 -2.967 885 HE3 LYS 42 HE1 LYS 42 -10.957 14.416 -4.262 886 HZ1 LYS 42 HZ1 LYS 42 -11.496 14.090 -1.364 887 HZ2 LYS 42 HZ2 LYS 42 -12.691 13.991 -2.562 888 HZ3 LYS 42 HZ3 LYS 42 -11.846 15.442 -2.327 889 H ALA 43 HN ALA 43 -8.770 8.405 -7.364 890 HA ALA 43 HA ALA 43 -9.220 6.009 -5.895 891 HB1 ALA 43 HB1 ALA 43 -9.100 4.874 -8.056 892 HB2 ALA 43 HB2 ALA 43 -8.463 6.342 -8.798 893 HB3 ALA 43 HB3 ALA 43 -10.105 6.320 -8.157 894 H ARG 44 HN ARG 44 -6.430 7.625 -7.149 895 HA ARG 44 HA ARG 44 -4.598 5.465 -6.874 896 HB2 ARG 44 HB2 ARG 44 -4.206 8.450 -7.031 897 HB3 ARG 44 HB1 ARG 44 -2.876 7.300 -6.969 898 HG2 ARG 44 HG2 ARG 44 -5.011 7.337 -9.087 899 HG3 ARG 44 HG1 ARG 44 -3.411 8.065 -9.249 900 HD2 ARG 44 HD2 ARG 44 -2.393 5.854 -8.872 901 HD3 ARG 44 HD1 ARG 44 -4.005 5.145 -8.774 902 HE ARG 44 HE ARG 44 -4.160 6.253 -11.154 903 HH11 ARG 44 HH11 ARG 44 -1.508 4.431 -9.736 904 HH12 ARG 44 HH12 ARG 44 -0.918 3.871 -11.275 905 HH21 ARG 44 HH21 ARG 44 -3.407 5.481 -13.161 906 HH22 ARG 44 HH22 ARG 44 -2.007 4.449 -13.224 907 H ILE 45 HN ILE 45 -6.026 7.673 -4.626 908 HA ILE 45 HA ILE 45 -4.054 7.560 -2.598 909 HB ILE 45 HB ILE 45 -7.048 7.916 -2.325 910 HG12 ILE 45 HG12 ILE 45 -4.790 9.933 -2.354 911 HG13 ILE 45 HG11 ILE 45 -5.949 9.672 -3.652 912 HG21 ILE 45 HG21 ILE 45 -6.088 7.137 -0.235 913 HG22 ILE 45 HG22 ILE 45 -6.554 8.832 -0.103 914 HG23 ILE 45 HG23 ILE 45 -4.857 8.398 -0.307 915 HD11 ILE 45 HD11 ILE 45 -7.755 10.412 -2.192 916 HD12 ILE 45 HD12 ILE 45 -6.502 11.644 -2.345 917 HD13 ILE 45 HD13 ILE 45 -6.600 10.661 -0.882 918 H ALA 46 HN ALA 46 -6.917 5.593 -3.277 919 HA ALA 46 HA ALA 46 -6.584 3.758 -1.160 920 HB1 ALA 46 HB1 ALA 46 -7.903 3.328 -3.840 921 HB2 ALA 46 HB2 ALA 46 -8.684 3.983 -2.401 922 HB3 ALA 46 HB3 ALA 46 -8.105 2.317 -2.411 923 H GLU 47 HN GLU 47 -5.296 3.939 -4.409 924 HA GLU 47 HA GLU 47 -4.147 1.388 -4.593 925 HB2 GLU 47 HB2 GLU 47 -4.404 2.880 -6.514 926 HB3 GLU 47 HB1 GLU 47 -3.256 4.009 -5.812 927 HG2 GLU 47 HG2 GLU 47 -1.491 2.327 -6.006 928 HG3 GLU 47 HG1 GLU 47 -2.647 1.207 -6.727 929 H ALA 48 HN ALA 48 -2.726 4.482 -3.541 930 HA ALA 48 HA ALA 48 -0.214 3.445 -2.799 931 HB1 ALA 48 HB1 ALA 48 -0.602 5.831 -3.154 932 HB2 ALA 48 HB2 ALA 48 0.074 5.532 -1.553 933 HB3 ALA 48 HB3 ALA 48 -1.646 5.879 -1.734 934 H GLU 49 HN GLU 49 -3.227 3.854 -1.038 935 HA GLU 49 HA GLU 49 -2.331 3.196 1.531 936 HB2 GLU 49 HB2 GLU 49 -4.535 4.205 0.971 937 HB3 GLU 49 HB1 GLU 49 -5.046 2.667 0.300 938 HG2 GLU 49 HG2 GLU 49 -4.114 2.748 3.122 939 HG3 GLU 49 HG1 GLU 49 -5.703 3.402 2.732 940 H LYS 50 HN LYS 50 -3.637 1.144 -1.061 941 HA LYS 50 HA LYS 50 -3.428 -1.306 0.325 942 HB2 LYS 50 HB2 LYS 50 -3.370 -0.738 -2.643 943 HB3 LYS 50 HB1 LYS 50 -3.539 -2.337 -1.937 944 HG2 LYS 50 HG2 LYS 50 -5.657 -1.765 -0.985 945 HG3 LYS 50 HG1 LYS 50 -5.465 -0.075 -1.461 946 HD2 LYS 50 HD2 LYS 50 -5.468 -0.756 -3.821 947 HD3 LYS 50 HD1 LYS 50 -5.697 -2.435 -3.328 948 HE2 LYS 50 HE2 LYS 50 -7.828 -1.857 -2.302 949 HE3 LYS 50 HE1 LYS 50 -7.592 -0.164 -2.736 950 HZ1 LYS 50 HZ1 LYS 50 -7.722 -0.716 -5.042 951 HZ2 LYS 50 HZ2 LYS 50 -9.061 -1.410 -4.272 952 HZ3 LYS 50 HZ3 LYS 50 -7.745 -2.378 -4.710 953 H ALA 51 HN ALA 51 -1.175 0.479 -1.711 954 HA ALA 51 HA ALA 51 0.808 -1.514 -1.917 955 HB1 ALA 51 HB1 ALA 51 2.298 0.287 -2.599 956 HB2 ALA 51 HB2 ALA 51 1.139 1.482 -2.016 957 HB3 ALA 51 HB3 ALA 51 0.726 0.444 -3.381 958 H GLY 52 HN GLY 52 0.117 0.883 0.546 959 HA2 GLY 52 HA2 GLY 52 0.739 0.184 2.826 960 HA3 GLY 52 HA1 GLY 52 2.290 -0.303 2.161 961 H VAL 53 HN VAL 53 1.203 2.540 0.738 962 HA VAL 53 HA VAL 53 3.249 4.062 2.093 963 HB VAL 53 HB VAL 53 1.260 5.018 0.023 964 HG11 VAL 53 HG11 VAL 53 3.905 6.149 0.927 965 HG12 VAL 53 HG12 VAL 53 2.311 6.829 1.247 966 HG13 VAL 53 HG13 VAL 53 2.929 6.773 -0.403 967 HG21 VAL 53 HG21 VAL 53 4.049 3.942 -0.381 968 HG22 VAL 53 HG22 VAL 53 3.021 4.639 -1.632 969 HG23 VAL 53 HG23 VAL 53 2.552 3.133 -0.841 970 H LYS 54 HN LYS 54 2.759 4.706 4.104 971 HA LYS 54 HA LYS 54 0.030 5.446 4.775 972 HB2 LYS 54 HB2 LYS 54 2.493 5.355 6.527 973 HB3 LYS 54 HB1 LYS 54 0.839 5.569 7.083 974 HG2 LYS 54 HG2 LYS 54 0.297 3.333 6.153 975 HG3 LYS 54 HG1 LYS 54 2.004 3.125 5.769 976 HD2 LYS 54 HD2 LYS 54 0.845 3.550 8.524 977 HD3 LYS 54 HD1 LYS 54 1.413 2.017 7.868 978 HE2 LYS 54 HE2 LYS 54 3.259 2.642 9.057 979 HE3 LYS 54 HE1 LYS 54 3.636 3.384 7.503 980 HZ1 LYS 54 HZ1 LYS 54 2.435 4.762 9.852 981 HZ2 LYS 54 HZ2 LYS 54 2.756 5.490 8.356 982 HZ3 LYS 54 HZ3 LYS 54 4.036 4.921 9.309 983 H SER 55 HN SER 55 3.250 6.941 4.736 984 HA SER 55 HA SER 55 1.935 9.570 4.845 985 HB2 SER 55 HB2 SER 55 4.885 8.915 5.089 986 HB3 SER 55 HB1 SER 55 4.142 10.495 5.329 987 HG SER 55 HG SER 55 3.103 8.426 6.855 988 H VAL 56 HN VAL 56 1.447 10.346 2.892 989 HA VAL 56 HA VAL 56 2.772 9.300 0.582 990 HB VAL 56 HB VAL 56 1.206 11.283 -0.447 991 HG11 VAL 56 HG11 VAL 56 -0.381 9.447 -0.878 992 HG12 VAL 56 HG12 VAL 56 0.445 8.465 0.332 993 HG13 VAL 56 HG13 VAL 56 1.290 8.949 -1.139 994 HG21 VAL 56 HG21 VAL 56 0.412 11.759 1.908 995 HG22 VAL 56 HG22 VAL 56 -0.323 10.158 1.893 996 HG23 VAL 56 HG23 VAL 56 -0.849 11.381 0.737 997 HA PRO 57 HA PRO 57 4.434 12.195 -2.187 998 HB2 PRO 57 HB2 PRO 57 5.158 14.037 0.082 999 HB3 PRO 57 HB1 PRO 57 5.282 14.327 -1.662 1000 HG2 PRO 57 HG2 PRO 57 3.050 14.963 -0.112 1001 HG3 PRO 57 HG1 PRO 57 3.036 14.750 -1.872 1002 HD2 PRO 57 HD2 PRO 57 1.669 13.138 0.010 1003 HD3 PRO 57 HD1 PRO 57 1.956 12.727 -1.699 1004 H ALA 58 HN ALA 58 5.412 10.256 -2.200 1005 HA ALA 58 HA ALA 58 7.823 9.919 -0.605 1006 HB1 ALA 58 HB1 ALA 58 7.186 7.675 0.128 1007 HB2 ALA 58 HB2 ALA 58 5.600 7.875 -0.619 1008 HB3 ALA 58 HB3 ALA 58 6.064 8.888 0.749 1009 H LEU 59 HN LEU 59 9.094 8.037 -1.357 1010 HA LEU 59 HA LEU 59 8.708 7.618 -4.251 1011 HB2 LEU 59 HB2 LEU 59 10.658 8.996 -3.725 1012 HB3 LEU 59 HB1 LEU 59 11.259 7.757 -2.642 1013 HG LEU 59 HG LEU 59 11.502 6.227 -4.590 1014 HD11 LEU 59 HD11 LEU 59 9.844 7.226 -6.061 1015 HD12 LEU 59 HD12 LEU 59 11.424 7.176 -6.841 1016 HD13 LEU 59 HD13 LEU 59 10.815 8.693 -6.181 1017 HD21 LEU 59 HD21 LEU 59 12.963 8.857 -4.802 1018 HD22 LEU 59 HD22 LEU 59 13.486 7.323 -5.498 1019 HD23 LEU 59 HD23 LEU 59 13.397 7.511 -3.747 1020 H VAL 60 HN VAL 60 8.144 5.608 -4.733 1021 HA VAL 60 HA VAL 60 8.772 3.455 -2.853 1022 HB VAL 60 HB VAL 60 7.007 3.348 -5.307 1023 HG11 VAL 60 HG11 VAL 60 7.274 1.461 -2.969 1024 HG12 VAL 60 HG12 VAL 60 7.850 1.170 -4.610 1025 HG13 VAL 60 HG13 VAL 60 6.120 1.304 -4.293 1026 HG21 VAL 60 HG21 VAL 60 6.252 3.757 -2.416 1027 HG22 VAL 60 HG22 VAL 60 5.119 3.482 -3.739 1028 HG23 VAL 60 HG23 VAL 60 6.106 4.943 -3.713 1029 H ILE 61 HN ILE 61 10.830 2.826 -3.210 1030 HA ILE 61 HA ILE 61 11.744 2.335 -5.934 1031 HB ILE 61 HB ILE 61 13.213 2.075 -3.301 1032 HG12 ILE 61 HG12 ILE 61 12.689 4.395 -3.939 1033 HG13 ILE 61 HG11 ILE 61 14.419 4.078 -4.027 1034 HG21 ILE 61 HG21 ILE 61 14.093 0.502 -4.946 1035 HG22 ILE 61 HG22 ILE 61 15.241 1.806 -4.645 1036 HG23 ILE 61 HG23 ILE 61 14.270 1.811 -6.116 1037 HD11 ILE 61 HD11 ILE 61 12.514 4.171 -6.359 1038 HD12 ILE 61 HD12 ILE 61 14.244 3.839 -6.454 1039 HD13 ILE 61 HD13 ILE 61 13.678 5.417 -5.907 1040 H ASP 62 HN ASP 62 10.560 0.627 -6.574 1041 HA ASP 62 HA ASP 62 9.815 -1.494 -6.803 1042 HB2 ASP 62 HB2 ASP 62 12.240 -1.684 -7.384 1043 HB3 ASP 62 HB1 ASP 62 12.539 -2.243 -5.737 1044 H GLY 63 HN GLY 63 8.280 -1.136 -5.052 1045 HA2 GLY 63 HA2 GLY 63 7.071 -2.339 -3.469 1046 HA3 GLY 63 HA1 GLY 63 8.482 -3.343 -3.186 1047 H ALA 64 HN ALA 64 10.213 -0.988 -2.678 1048 HA ALA 64 HA ALA 64 9.467 -0.680 0.122 1049 HB1 ALA 64 HB1 ALA 64 11.989 0.138 -1.315 1050 HB2 ALA 64 HB2 ALA 64 11.753 -1.363 -0.420 1051 HB3 ALA 64 HB3 ALA 64 11.728 0.184 0.428 1052 H ALA 65 HN ALA 65 8.210 0.977 0.654 1053 HA ALA 65 HA ALA 65 8.201 3.379 -0.999 1054 HB1 ALA 65 HB1 ALA 65 6.413 2.611 1.306 1055 HB2 ALA 65 HB2 ALA 65 6.057 2.355 -0.403 1056 HB3 ALA 65 HB3 ALA 65 6.194 3.994 0.233 1057 H PHE 66 HN PHE 66 9.763 4.779 -0.516 1058 HA PHE 66 HA PHE 66 10.469 5.245 2.280 1059 HB2 PHE 66 HB2 PHE 66 11.706 6.291 -0.276 1060 HB3 PHE 66 HB1 PHE 66 12.303 6.633 1.345 1061 HD1 PHE 66 HD2 PHE 66 12.681 4.420 2.801 1062 HD2 PHE 66 HD1 PHE 66 12.761 4.627 -1.448 1063 HE1 PHE 66 HE2 PHE 66 14.049 2.377 2.731 1064 HE2 PHE 66 HE1 PHE 66 14.130 2.581 -1.525 1065 HZ PHE 66 HZ PHE 66 14.773 1.456 0.567 1066 H HIS 67 HN HIS 67 9.125 6.566 3.281 1067 HA HIS 67 HA HIS 67 7.475 8.492 2.045 1068 HB2 HIS 67 HB2 HIS 67 8.357 8.374 4.940 1069 HB3 HIS 67 HB1 HIS 67 6.939 9.208 4.317 1070 HD1 HIS 67 HD1 HIS 67 8.070 5.920 5.567 1071 HD2 HIS 67 HD2 HIS 67 4.864 7.446 3.411 1072 HE1 HIS 67 HE1 HIS 67 6.231 4.187 5.698 1073 H ILE 68 HN ILE 68 8.167 10.375 1.094 1074 HA ILE 68 HA ILE 68 10.804 11.370 1.768 1075 HB ILE 68 HB ILE 68 8.804 12.457 -0.228 1076 HG12 ILE 68 HG12 ILE 68 11.234 10.695 -0.623 1077 HG13 ILE 68 HG11 ILE 68 9.557 10.186 -0.784 1078 HG21 ILE 68 HG21 ILE 68 10.390 14.156 0.501 1079 HG22 ILE 68 HG22 ILE 68 10.717 13.674 -1.163 1080 HG23 ILE 68 HG23 ILE 68 11.735 13.072 0.144 1081 HD11 ILE 68 HD11 ILE 68 9.277 11.709 -2.669 1082 HD12 ILE 68 HD12 ILE 68 10.578 10.553 -2.952 1083 HD13 ILE 68 HD13 ILE 68 10.957 12.218 -2.507 1084 H ASN 69 HN ASN 69 10.912 12.420 3.633 1085 HA ASN 69 HA ASN 69 10.392 13.741 5.420 1086 HB2 ASN 69 HB2 ASN 69 8.789 15.428 3.474 1087 HB3 ASN 69 HB1 ASN 69 9.482 15.942 5.005 1088 HD21 ASN 69 HD21 ASN 69 10.026 15.376 1.669 1089 HD22 ASN 69 HD22 ASN 69 11.636 16.000 1.601 1090 H PHE 70 HN PHE 70 7.912 15.215 5.829 1091 HA PHE 70 HA PHE 70 5.926 13.068 5.569 1092 HB2 PHE 70 HB2 PHE 70 6.282 13.894 7.907 1093 HB3 PHE 70 HB1 PHE 70 5.768 15.494 7.380 1094 HD1 PHE 70 HD2 PHE 70 4.615 11.959 7.503 1095 HD2 PHE 70 HD1 PHE 70 3.523 16.074 7.481 1096 HE1 PHE 70 HE2 PHE 70 2.271 11.336 7.907 1097 HE2 PHE 70 HE1 PHE 70 1.176 15.456 7.884 1098 HZ PHE 70 HZ PHE 70 0.548 13.086 8.098 1099 H GLY 71 HN GLY 71 5.705 13.587 3.346 1100 HA2 GLY 71 HA2 GLY 71 5.064 16.173 2.407 1101 HA3 GLY 71 HA1 GLY 71 4.767 14.666 1.551 1102 H ALA 72 HN ALA 72 2.916 13.358 2.491 1103 HA ALA 72 HA ALA 72 0.899 15.039 3.780 1104 HB1 ALA 72 HB1 ALA 72 0.423 13.492 1.236 1105 HB2 ALA 72 HB2 ALA 72 0.263 15.229 1.486 1106 HB3 ALA 72 HB3 ALA 72 -0.866 14.119 2.262 1107 H GLY 73 HN GLY 73 -1.083 13.460 4.304 1108 HA2 GLY 73 HA2 GLY 73 0.020 10.848 5.098 1109 HA3 GLY 73 HA1 GLY 73 -0.749 11.871 6.304 1110 H ILE 74 HN ILE 74 -1.404 9.164 5.054 1111 HA ILE 74 HA ILE 74 -3.751 9.377 3.538 1112 HB ILE 74 HB ILE 74 -2.947 7.216 5.494 1113 HG12 ILE 74 HG12 ILE 74 -1.344 7.510 3.681 1114 HG13 ILE 74 HG11 ILE 74 -2.230 6.004 3.464 1115 HG21 ILE 74 HG21 ILE 74 -4.535 5.773 4.321 1116 HG22 ILE 74 HG22 ILE 74 -5.056 7.142 3.340 1117 HG23 ILE 74 HG23 ILE 74 -5.349 7.142 5.079 1118 HD11 ILE 74 HD11 ILE 74 -3.639 7.082 1.784 1119 HD12 ILE 74 HD12 ILE 74 -1.930 7.163 1.355 1120 HD13 ILE 74 HD13 ILE 74 -2.745 8.587 2.003 1121 H ASP 75 HN ASP 75 -3.240 9.324 7.028 1122 HA ASP 75 HA ASP 75 -5.887 9.291 7.906 1123 HB2 ASP 75 HB2 ASP 75 -3.600 10.818 9.170 1124 HB3 ASP 75 HB1 ASP 75 -5.059 10.254 9.978 1125 H ASP 76 HN ASP 76 -3.915 11.887 6.666 1126 HA ASP 76 HA ASP 76 -5.725 13.954 7.554 1127 HB2 ASP 76 HB2 ASP 76 -3.269 14.297 7.511 1128 HB3 ASP 76 HB1 ASP 76 -3.302 14.156 5.756 1129 H LEU 77 HN LEU 77 -4.908 12.297 4.567 1130 HA LEU 77 HA LEU 77 -6.466 13.982 2.871 1131 HB2 LEU 77 HB2 LEU 77 -5.451 11.170 2.453 1132 HB3 LEU 77 HB1 LEU 77 -6.197 12.155 1.210 1133 HG LEU 77 HG LEU 77 -3.597 12.760 2.620 1134 HD11 LEU 77 HD11 LEU 77 -2.584 12.328 0.445 1135 HD12 LEU 77 HD12 LEU 77 -4.164 11.904 -0.214 1136 HD13 LEU 77 HD13 LEU 77 -3.437 10.904 1.043 1137 HD21 LEU 77 HD21 LEU 77 -3.389 14.597 1.023 1138 HD22 LEU 77 HD22 LEU 77 -4.810 14.800 2.047 1139 HD23 LEU 77 HD23 LEU 77 -4.992 14.233 0.387 1140 H LYS 78 HN LYS 78 -7.149 11.270 4.898 1141 HA LYS 78 HA LYS 78 -9.641 10.557 3.722 1142 HB2 LYS 78 HB2 LYS 78 -8.306 9.965 6.340 1143 HB3 LYS 78 HB1 LYS 78 -9.998 9.551 6.109 1144 HG2 LYS 78 HG2 LYS 78 -8.048 8.661 4.053 1145 HG3 LYS 78 HG1 LYS 78 -8.053 7.837 5.612 1146 HD2 LYS 78 HD2 LYS 78 -9.498 6.675 4.047 1147 HD3 LYS 78 HD1 LYS 78 -10.457 7.382 5.347 1148 HE2 LYS 78 HE2 LYS 78 -10.990 9.287 3.854 1149 HE3 LYS 78 HE1 LYS 78 -10.112 8.477 2.556 1150 HZ1 LYS 78 HZ1 LYS 78 -11.665 6.650 2.666 1151 HZ2 LYS 78 HZ2 LYS 78 -12.505 8.105 2.426 1152 HZ3 LYS 78 HZ3 LYS 78 -12.491 7.378 3.957 1153 H GLY 79 HN GLY 79 -10.786 12.456 3.434 1154 HA2 GLY 79 HA2 GLY 79 -12.503 13.144 5.596 1155 HA3 GLY 79 HA1 GLY 79 -11.350 14.434 5.272 1156 H SER 80 HN SER 80 -12.762 12.252 2.910 1157 HA SER 80 HA SER 80 -14.765 13.955 1.932 1158 HB2 SER 80 HB2 SER 80 -12.749 15.352 1.346 1159 HB3 SER 80 HB1 SER 80 -12.209 14.040 0.300 1160 HG SER 80 HG SER 80 -14.508 15.679 0.045 Start of MODEL 20 1 H1 VAL 1 HT1 VAL 1 27.323 18.639 -12.799 2 H2 VAL 1 HT2 VAL 1 27.968 18.594 -14.362 3 H3 VAL 1 HT3 VAL 1 28.894 18.052 -13.048 4 HA VAL 1 HA VAL 1 26.398 16.822 -14.063 5 HB VAL 1 HB VAL 1 29.226 15.749 -14.112 6 HG11 VAL 1 HG11 VAL 1 28.273 13.930 -15.454 7 HG12 VAL 1 HG12 VAL 1 26.663 14.613 -15.225 8 HG13 VAL 1 HG13 VAL 1 27.565 13.997 -13.840 9 HG21 VAL 1 HG21 VAL 1 28.953 17.535 -15.741 10 HG22 VAL 1 HG22 VAL 1 27.504 16.755 -16.376 11 HG23 VAL 1 HG23 VAL 1 29.076 15.973 -16.550 12 H ALA 2 HN ALA 2 29.256 16.011 -12.060 13 HA ALA 2 HA ALA 2 27.458 14.482 -10.327 14 HB1 ALA 2 HB1 ALA 2 30.468 14.425 -10.496 15 HB2 ALA 2 HB2 ALA 2 29.365 13.286 -11.271 16 HB3 ALA 2 HB3 ALA 2 29.460 13.362 -9.512 17 H SER 3 HN SER 3 26.594 16.204 -9.106 18 HA SER 3 HA SER 3 28.438 17.506 -7.257 19 HB2 SER 3 HB2 SER 3 26.323 18.567 -6.361 20 HB3 SER 3 HB1 SER 3 26.690 18.954 -8.041 21 HG SER 3 HG SER 3 24.444 18.067 -7.173 22 H LYS 4 HN LYS 4 27.819 17.339 -4.852 23 HA LYS 4 HA LYS 4 27.639 14.480 -4.388 24 HB2 LYS 4 HB2 LYS 4 28.568 14.907 -2.198 25 HB3 LYS 4 HB1 LYS 4 29.540 15.685 -3.436 26 HG2 LYS 4 HG2 LYS 4 28.485 17.833 -2.888 27 HG3 LYS 4 HG1 LYS 4 27.556 17.032 -1.614 28 HD2 LYS 4 HD2 LYS 4 29.700 16.311 -0.588 29 HD3 LYS 4 HD1 LYS 4 30.557 17.265 -1.798 30 HE2 LYS 4 HE2 LYS 4 29.405 19.283 -0.983 31 HE3 LYS 4 HE1 LYS 4 28.619 18.309 0.262 32 HZ1 LYS 4 HZ1 LYS 4 31.517 18.870 -0.034 33 HZ2 LYS 4 HZ2 LYS 4 30.907 17.682 1.009 34 HZ3 LYS 4 HZ3 LYS 4 30.498 19.308 1.257 35 H ALA 5 HN ALA 5 26.211 13.461 -3.171 36 HA ALA 5 HA ALA 5 23.985 15.017 -2.032 37 HB1 ALA 5 HB1 ALA 5 23.891 12.238 -3.217 38 HB2 ALA 5 HB2 ALA 5 23.261 13.702 -3.970 39 HB3 ALA 5 HB3 ALA 5 22.536 13.095 -2.482 40 H ILE 6 HN ILE 6 23.758 14.807 0.103 41 HA ILE 6 HA ILE 6 25.599 12.971 1.443 42 HB ILE 6 HB ILE 6 24.041 15.302 2.570 43 HG12 ILE 6 HG12 ILE 6 25.739 16.034 0.969 44 HG13 ILE 6 HG11 ILE 6 26.217 16.462 2.608 45 HG21 ILE 6 HG21 ILE 6 26.219 13.626 3.807 46 HG22 ILE 6 HG22 ILE 6 24.517 13.638 4.269 47 HG23 ILE 6 HG23 ILE 6 25.511 15.074 4.522 48 HD11 ILE 6 HD11 ILE 6 28.102 15.645 1.317 49 HD12 ILE 6 HD12 ILE 6 27.258 14.126 1.020 50 HD13 ILE 6 HD13 ILE 6 27.743 14.560 2.660 51 H PHE 7 HN PHE 7 24.759 11.052 1.922 52 HA PHE 7 HA PHE 7 21.971 10.805 2.723 53 HB2 PHE 7 HB2 PHE 7 23.104 9.095 1.250 54 HB3 PHE 7 HB1 PHE 7 24.100 8.651 2.631 55 HD1 PHE 7 HD2 PHE 7 20.661 8.704 1.314 56 HD2 PHE 7 HD1 PHE 7 23.265 7.237 4.343 57 HE1 PHE 7 HE2 PHE 7 18.922 7.122 2.037 58 HE2 PHE 7 HE1 PHE 7 21.531 5.652 5.070 59 HZ PHE 7 HZ PHE 7 19.356 5.592 3.918 60 H TYR 8 HN TYR 8 21.781 11.793 4.666 61 HA TYR 8 HA TYR 8 23.784 11.263 6.734 62 HB2 TYR 8 HB2 TYR 8 22.466 13.568 5.930 63 HB3 TYR 8 HB1 TYR 8 21.628 13.114 7.409 64 HD1 TYR 8 HD2 TYR 8 23.918 11.927 8.927 65 HD2 TYR 8 HD1 TYR 8 23.657 15.468 6.585 66 HE1 TYR 8 HE2 TYR 8 25.729 12.929 10.248 67 HE2 TYR 8 HE1 TYR 8 25.473 16.477 7.900 68 HH TYR 8 HH TYR 8 26.486 16.231 10.130 69 H HIS 9 HN HIS 9 23.374 9.803 8.291 70 HA HIS 9 HA HIS 9 20.672 9.607 9.341 71 HB2 HIS 9 HB2 HIS 9 20.476 7.218 9.130 72 HB3 HIS 9 HB1 HIS 9 20.782 7.892 7.536 73 HD2 HIS 9 HD2 HIS 9 23.450 7.431 6.571 74 HE1 HIS 9 HE1 HIS 9 24.004 4.157 9.194 75 HE2 HIS 9 HE2 HIS 9 24.731 5.212 7.008 76 H ALA 10 HN ALA 10 20.739 7.824 11.193 77 HA ALA 10 HA ALA 10 23.241 8.197 12.691 78 HB1 ALA 10 HB1 ALA 10 21.596 9.828 13.476 79 HB2 ALA 10 HB2 ALA 10 21.969 8.638 14.723 80 HB3 ALA 10 HB3 ALA 10 20.461 8.521 13.816 81 H GLY 11 HN GLY 11 21.778 5.934 11.185 82 HA2 GLY 11 HA2 GLY 11 22.181 3.638 11.524 83 HA3 GLY 11 HA1 GLY 11 22.335 3.939 13.247 84 H CYS 12 HN CYS 12 19.640 5.530 12.152 85 HA CYS 12 HA CYS 12 17.809 3.842 13.453 86 HB2 CYS 12 HB2 CYS 12 16.107 5.276 12.142 87 HB3 CYS 12 HB1 CYS 12 17.165 6.092 13.287 88 HG CYS 12 HG CYS 12 16.787 7.651 10.940 89 HA PRO 13 HA PRO 13 17.509 0.451 10.709 90 HB2 PRO 13 HB2 PRO 13 14.648 0.426 11.550 91 HB3 PRO 13 HB1 PRO 13 15.837 -0.881 11.558 92 HG2 PRO 13 HG2 PRO 13 15.172 0.326 13.821 93 HG3 PRO 13 HG1 PRO 13 16.861 -0.112 13.498 94 HD2 PRO 13 HD2 PRO 13 15.537 2.562 13.364 95 HD3 PRO 13 HD1 PRO 13 17.171 2.138 13.913 96 H VAL 14 HN VAL 14 15.225 3.087 10.421 97 HA VAL 14 HA VAL 14 13.959 2.187 8.048 98 HB VAL 14 HB VAL 14 13.169 4.532 7.810 99 HG11 VAL 14 HG11 VAL 14 12.888 3.348 10.569 100 HG12 VAL 14 HG12 VAL 14 11.918 2.934 9.155 101 HG13 VAL 14 HG13 VAL 14 11.817 4.552 9.852 102 HG21 VAL 14 HG21 VAL 14 13.674 6.142 9.587 103 HG22 VAL 14 HG22 VAL 14 15.124 5.684 8.694 104 HG23 VAL 14 HG23 VAL 14 14.820 5.001 10.291 105 H CYS 15 HN CYS 15 17.078 3.458 8.587 106 HA CYS 15 HA CYS 15 17.301 4.638 5.939 107 HB2 CYS 15 HB2 CYS 15 19.498 5.320 6.555 108 HB3 CYS 15 HB1 CYS 15 18.482 5.586 7.966 109 HG CYS 15 HG CYS 15 21.179 4.569 8.487 110 H VAL 16 HN VAL 16 17.678 1.584 7.378 111 HA VAL 16 HA VAL 16 19.840 0.559 5.882 112 HB VAL 16 HB VAL 16 17.502 -0.965 7.047 113 HG11 VAL 16 HG11 VAL 16 19.025 -2.886 7.041 114 HG12 VAL 16 HG12 VAL 16 20.255 -1.906 6.243 115 HG13 VAL 16 HG13 VAL 16 18.746 -2.278 5.409 116 HG21 VAL 16 HG21 VAL 16 18.624 0.359 8.746 117 HG22 VAL 16 HG22 VAL 16 20.188 -0.285 8.241 118 HG23 VAL 16 HG23 VAL 16 18.987 -1.353 8.968 119 H SER 17 HN SER 17 16.329 0.122 5.421 120 HA SER 17 HA SER 17 16.617 -1.104 2.879 121 HB2 SER 17 HB2 SER 17 14.099 -0.525 2.760 122 HB3 SER 17 HB1 SER 17 14.635 -1.629 4.027 123 HG SER 17 HG SER 17 13.227 0.035 4.799 124 H ALA 18 HN ALA 18 16.080 2.195 3.971 125 HA ALA 18 HA ALA 18 15.523 3.408 1.514 126 HB1 ALA 18 HB1 ALA 18 15.261 4.544 3.669 127 HB2 ALA 18 HB2 ALA 18 16.253 5.487 2.556 128 HB3 ALA 18 HB3 ALA 18 17.014 4.578 3.861 129 H GLU 19 HN GLU 19 18.571 2.569 3.049 130 HA GLU 19 HA GLU 19 20.273 3.780 1.134 131 HB2 GLU 19 HB2 GLU 19 20.940 3.082 3.431 132 HB3 GLU 19 HB1 GLU 19 20.804 1.405 2.928 133 HG2 GLU 19 HG2 GLU 19 22.566 1.821 1.240 134 HG3 GLU 19 HG1 GLU 19 22.748 3.451 1.894 135 H GLN 20 HN GLN 20 18.785 0.612 1.430 136 HA GLN 20 HA GLN 20 20.240 -0.535 -0.765 137 HB2 GLN 20 HB2 GLN 20 17.804 -1.525 0.719 138 HB3 GLN 20 HB1 GLN 20 18.745 -2.468 -0.430 139 HG2 GLN 20 HG2 GLN 20 20.655 -2.424 0.996 140 HG3 GLN 20 HG1 GLN 20 19.875 -1.282 2.089 141 HE21 GLN 20 HE21 GLN 20 20.994 -3.915 2.613 142 HE22 GLN 20 HE22 GLN 20 19.698 -4.844 3.315 143 H ALA 21 HN ALA 21 17.629 1.556 -0.590 144 HA ALA 21 HA ALA 21 16.713 0.712 -3.261 145 HB1 ALA 21 HB1 ALA 21 15.150 2.211 -1.166 146 HB2 ALA 21 HB2 ALA 21 14.982 0.497 -1.548 147 HB3 ALA 21 HB3 ALA 21 14.559 1.715 -2.752 148 H VAL 22 HN VAL 22 16.654 3.694 -1.293 149 HA VAL 22 HA VAL 22 16.626 5.373 -3.590 150 HB VAL 22 HB VAL 22 17.274 6.138 -0.737 151 HG11 VAL 22 HG11 VAL 22 16.284 7.795 -3.056 152 HG12 VAL 22 HG12 VAL 22 17.902 7.846 -2.356 153 HG13 VAL 22 HG13 VAL 22 16.511 8.369 -1.405 154 HG21 VAL 22 HG21 VAL 22 15.129 5.001 -0.839 155 HG22 VAL 22 HG22 VAL 22 14.612 6.053 -2.156 156 HG23 VAL 22 HG23 VAL 22 14.894 6.725 -0.550 157 H ALA 23 HN ALA 23 19.130 4.609 -1.174 158 HA ALA 23 HA ALA 23 21.127 6.170 -2.516 159 HB1 ALA 23 HB1 ALA 23 21.203 5.818 -0.095 160 HB2 ALA 23 HB2 ALA 23 22.678 5.249 -0.877 161 HB3 ALA 23 HB3 ALA 23 21.455 4.092 -0.354 162 H ASN 24 HN ASN 24 19.771 3.171 -3.097 163 HA ASN 24 HA ASN 24 22.100 2.045 -4.419 164 HB2 ASN 24 HB2 ASN 24 20.506 0.542 -3.279 165 HB3 ASN 24 HB1 ASN 24 19.221 1.098 -4.346 166 HD21 ASN 24 HD21 ASN 24 21.985 -0.934 -4.009 167 HD22 ASN 24 HD22 ASN 24 21.841 -1.731 -5.538 168 H ALA 25 HN ALA 25 19.122 3.716 -5.155 169 HA ALA 25 HA ALA 25 19.147 3.417 -7.953 170 HB1 ALA 25 HB1 ALA 25 17.174 4.168 -6.719 171 HB2 ALA 25 HB2 ALA 25 17.610 5.313 -7.989 172 HB3 ALA 25 HB3 ALA 25 18.001 5.670 -6.306 173 H ILE 26 HN ILE 26 20.310 6.049 -5.875 174 HA ILE 26 HA ILE 26 21.650 7.309 -8.127 175 HB ILE 26 HB ILE 26 21.674 8.135 -5.218 176 HG12 ILE 26 HG12 ILE 26 19.912 9.147 -7.463 177 HG13 ILE 26 HG11 ILE 26 19.379 8.063 -6.182 178 HG21 ILE 26 HG21 ILE 26 23.501 9.076 -6.525 179 HG22 ILE 26 HG22 ILE 26 22.330 10.327 -6.109 180 HG23 ILE 26 HG23 ILE 26 22.357 9.651 -7.738 181 HD11 ILE 26 HD11 ILE 26 18.702 10.350 -5.743 182 HD12 ILE 26 HD12 ILE 26 20.384 10.875 -5.812 183 HD13 ILE 26 HD13 ILE 26 19.850 9.791 -4.526 184 H ASP 27 HN ASP 27 23.531 6.454 -8.730 185 HA ASP 27 HA ASP 27 25.265 5.202 -6.741 186 HB2 ASP 27 HB2 ASP 27 26.536 4.364 -8.697 187 HB3 ASP 27 HB1 ASP 27 24.838 3.895 -8.749 188 HA PRO 28 HA PRO 28 28.098 8.484 -6.412 189 HB2 PRO 28 HB2 PRO 28 30.368 6.623 -6.623 190 HB3 PRO 28 HB1 PRO 28 29.843 7.611 -5.257 191 HG2 PRO 28 HG2 PRO 28 29.530 4.953 -5.253 192 HG3 PRO 28 HG1 PRO 28 28.323 6.031 -4.525 193 HD2 PRO 28 HD2 PRO 28 28.274 4.665 -7.194 194 HD3 PRO 28 HD1 PRO 28 26.973 4.840 -5.997 195 H SER 29 HN SER 29 28.103 6.681 -9.286 196 HA SER 29 HA SER 29 30.287 8.123 -10.519 197 HB2 SER 29 HB2 SER 29 28.158 6.380 -11.787 198 HB3 SER 29 HB1 SER 29 29.623 6.966 -12.575 199 HG SER 29 HG SER 29 30.058 5.641 -10.197 200 H LYS 30 HN LYS 30 26.770 8.235 -10.453 201 HA LYS 30 HA LYS 30 26.625 10.408 -12.337 202 HB2 LYS 30 HB2 LYS 30 24.784 8.833 -12.209 203 HB3 LYS 30 HB1 LYS 30 24.547 9.199 -10.506 204 HG2 LYS 30 HG2 LYS 30 23.907 11.484 -11.083 205 HG3 LYS 30 HG1 LYS 30 24.145 11.117 -12.791 206 HD2 LYS 30 HD2 LYS 30 22.384 9.245 -11.387 207 HD3 LYS 30 HD1 LYS 30 21.779 10.901 -11.448 208 HE2 LYS 30 HE2 LYS 30 20.983 9.582 -13.343 209 HE3 LYS 30 HE1 LYS 30 22.009 10.917 -13.867 210 HZ1 LYS 30 HZ1 LYS 30 23.049 8.165 -13.488 211 HZ2 LYS 30 HZ2 LYS 30 23.776 9.456 -14.321 212 HZ3 LYS 30 HZ3 LYS 30 22.400 8.698 -14.963 213 H TYR 31 HN TYR 31 26.114 10.049 -8.838 214 HA TYR 31 HA TYR 31 26.877 12.869 -8.516 215 HB2 TYR 31 HB2 TYR 31 24.566 11.474 -7.143 216 HB3 TYR 31 HB1 TYR 31 25.223 13.021 -6.626 217 HD1 TYR 31 HD2 TYR 31 25.287 14.882 -8.489 218 HD2 TYR 31 HD1 TYR 31 22.776 11.451 -8.603 219 HE1 TYR 31 HE2 TYR 31 23.774 16.047 -10.037 220 HE2 TYR 31 HE1 TYR 31 21.258 12.607 -10.149 221 HH TYR 31 HH TYR 31 20.658 14.827 -10.818 222 H THR 32 HN THR 32 27.915 13.327 -6.500 223 HA THR 32 HA THR 32 29.471 11.118 -5.530 224 HB THR 32 HB THR 32 29.375 13.817 -4.206 225 HG1 THR 32 HG1 THR 32 30.784 13.153 -6.614 226 HG21 THR 32 HG21 THR 32 30.765 12.079 -3.189 227 HG22 THR 32 HG22 THR 32 31.763 13.370 -3.857 228 HG23 THR 32 HG23 THR 32 31.603 11.842 -4.722 229 H VAL 33 HN VAL 33 28.000 9.699 -4.565 230 HA VAL 33 HA VAL 33 26.163 10.621 -2.548 231 HB VAL 33 HB VAL 33 26.876 7.776 -3.284 232 HG11 VAL 33 HG11 VAL 33 25.789 7.954 -1.114 233 HG12 VAL 33 HG12 VAL 33 24.700 7.224 -2.292 234 HG13 VAL 33 HG13 VAL 33 24.491 8.911 -1.826 235 HG21 VAL 33 HG21 VAL 33 24.659 9.538 -4.320 236 HG22 VAL 33 HG22 VAL 33 24.854 7.821 -4.673 237 HG23 VAL 33 HG23 VAL 33 26.061 8.980 -5.231 238 H GLU 34 HN GLU 34 27.103 11.329 -0.732 239 HA GLU 34 HA GLU 34 29.124 9.610 0.538 240 HB2 GLU 34 HB2 GLU 34 28.510 12.539 0.957 241 HB3 GLU 34 HB1 GLU 34 29.662 11.622 1.918 242 HG2 GLU 34 HG2 GLU 34 30.902 11.134 -0.201 243 HG3 GLU 34 HG1 GLU 34 29.827 12.274 -1.011 244 H ILE 35 HN ILE 35 28.394 8.365 2.101 245 HA ILE 35 HA ILE 35 25.916 9.040 3.484 246 HB ILE 35 HB ILE 35 27.623 6.546 3.669 247 HG12 ILE 35 HG12 ILE 35 25.029 7.052 2.189 248 HG13 ILE 35 HG11 ILE 35 26.612 6.871 1.442 249 HG21 ILE 35 HG21 ILE 35 24.857 7.118 4.726 250 HG22 ILE 35 HG22 ILE 35 26.322 6.922 5.688 251 HG23 ILE 35 HG23 ILE 35 25.674 5.556 4.780 252 HD11 ILE 35 HD11 ILE 35 25.299 4.840 1.242 253 HD12 ILE 35 HD12 ILE 35 25.141 4.754 2.996 254 HD13 ILE 35 HD13 ILE 35 26.725 4.569 2.243 255 H VAL 36 HN VAL 36 25.897 9.942 5.444 256 HA VAL 36 HA VAL 36 28.417 9.957 6.981 257 HB VAL 36 HB VAL 36 26.445 12.245 6.896 258 HG11 VAL 36 HG11 VAL 36 29.274 12.055 7.917 259 HG12 VAL 36 HG12 VAL 36 27.812 12.146 8.901 260 HG13 VAL 36 HG13 VAL 36 28.285 13.515 7.895 261 HG21 VAL 36 HG21 VAL 36 27.412 11.966 4.675 262 HG22 VAL 36 HG22 VAL 36 29.033 11.962 5.371 263 HG23 VAL 36 HG23 VAL 36 28.041 13.417 5.455 264 H HIS 37 HN HIS 37 28.266 9.701 9.188 265 HA HIS 37 HA HIS 37 25.605 8.860 10.152 266 HB2 HIS 37 HB2 HIS 37 27.365 7.079 9.858 267 HB3 HIS 37 HB1 HIS 37 28.302 7.882 11.111 268 HD2 HIS 37 HD2 HIS 37 24.897 5.956 10.771 269 HE1 HIS 37 HE1 HIS 37 26.245 5.819 14.777 270 HE2 HIS 37 HE2 HIS 37 24.643 4.817 13.093 271 H LEU 38 HN LEU 38 24.762 10.027 11.754 272 HA LEU 38 HA LEU 38 26.339 12.052 13.087 273 HB2 LEU 38 HB2 LEU 38 23.445 11.311 13.052 274 HB3 LEU 38 HB1 LEU 38 24.052 12.336 14.338 275 HG LEU 38 HG LEU 38 24.243 12.956 11.390 276 HD11 LEU 38 HD11 LEU 38 21.944 13.049 12.201 277 HD12 LEU 38 HD12 LEU 38 22.563 14.666 11.860 278 HD13 LEU 38 HD13 LEU 38 22.448 14.100 13.527 279 HD21 LEU 38 HD21 LEU 38 24.940 14.595 13.826 280 HD22 LEU 38 HD22 LEU 38 24.953 15.175 12.160 281 HD23 LEU 38 HD23 LEU 38 26.079 13.916 12.665 282 H GLY 39 HN GLY 39 25.210 8.866 13.824 283 HA2 GLY 39 HA2 GLY 39 25.045 9.200 16.655 284 HA3 GLY 39 HA1 GLY 39 25.005 7.677 15.787 285 H THR 40 HN THR 40 27.746 9.295 14.840 286 HA THR 40 HA THR 40 29.344 8.014 16.955 287 HB THR 40 HB THR 40 30.246 8.476 14.103 288 HG1 THR 40 HG1 THR 40 28.542 6.927 14.176 289 HG21 THR 40 HG21 THR 40 32.011 6.878 14.689 290 HG22 THR 40 HG22 THR 40 31.371 6.768 16.328 291 HG23 THR 40 HG23 THR 40 32.052 8.288 15.747 292 H ASP 41 HN ASP 41 28.455 10.946 15.545 293 HA ASP 41 HA ASP 41 30.514 12.369 16.986 294 HB2 ASP 41 HB2 ASP 41 31.610 11.922 14.814 295 HB3 ASP 41 HB1 ASP 41 30.275 12.722 13.989 296 H LYS 42 HN LYS 42 29.199 13.627 18.141 297 HA LYS 42 HA LYS 42 26.868 14.824 16.890 298 HB2 LYS 42 HB2 LYS 42 27.841 14.728 19.733 299 HB3 LYS 42 HB1 LYS 42 26.515 15.773 19.240 300 HG2 LYS 42 HG2 LYS 42 25.319 13.775 18.395 301 HG3 LYS 42 HG1 LYS 42 26.619 12.771 19.040 302 HD2 LYS 42 HD2 LYS 42 24.889 14.641 20.658 303 HD3 LYS 42 HD1 LYS 42 24.689 12.890 20.562 304 HE2 LYS 42 HE2 LYS 42 26.884 12.561 21.535 305 HE3 LYS 42 HE1 LYS 42 27.159 14.301 21.557 306 HZ1 LYS 42 HZ1 LYS 42 24.990 12.928 23.051 307 HZ2 LYS 42 HZ2 LYS 42 25.410 14.569 23.150 308 HZ3 LYS 42 HZ3 LYS 42 26.477 13.386 23.725 309 H ALA 43 HN ALA 43 30.037 15.606 16.976 310 HA ALA 43 HA ALA 43 29.864 18.421 17.387 311 HB1 ALA 43 HB1 ALA 43 32.010 17.245 17.465 312 HB2 ALA 43 HB2 ALA 43 32.032 18.527 16.254 313 HB3 ALA 43 HB3 ALA 43 31.858 16.844 15.754 314 H ARG 44 HN ARG 44 29.240 16.241 14.762 315 HA ARG 44 HA ARG 44 28.872 18.352 12.827 316 HB2 ARG 44 HB2 ARG 44 28.745 15.384 12.781 317 HB3 ARG 44 HB1 ARG 44 27.846 16.261 11.551 318 HG2 ARG 44 HG2 ARG 44 29.937 17.440 10.935 319 HG3 ARG 44 HG1 ARG 44 30.802 16.419 12.086 320 HD2 ARG 44 HD2 ARG 44 29.122 15.268 9.879 321 HD3 ARG 44 HD1 ARG 44 30.810 15.709 9.632 322 HE ARG 44 HE ARG 44 31.461 13.968 11.053 323 HH11 ARG 44 HH11 ARG 44 27.964 14.126 10.772 324 HH12 ARG 44 HH12 ARG 44 27.736 12.496 11.327 325 HH21 ARG 44 HH21 ARG 44 31.150 11.825 11.727 326 HH22 ARG 44 HH22 ARG 44 29.538 11.187 11.863 327 H ILE 45 HN ILE 45 27.036 17.529 15.379 328 HA ILE 45 HA ILE 45 24.431 17.398 14.275 329 HB ILE 45 HB ILE 45 25.354 18.493 16.940 330 HG12 ILE 45 HG12 ILE 45 25.715 16.075 16.598 331 HG13 ILE 45 HG11 ILE 45 24.524 16.396 17.852 332 HG21 ILE 45 HG21 ILE 45 23.241 19.530 16.341 333 HG22 ILE 45 HG22 ILE 45 23.011 18.371 17.650 334 HG23 ILE 45 HG23 ILE 45 22.540 17.947 16.004 335 HD11 ILE 45 HD11 ILE 45 22.732 15.878 16.284 336 HD12 ILE 45 HD12 ILE 45 23.861 14.532 16.454 337 HD13 ILE 45 HD13 ILE 45 23.925 15.563 15.023 338 H ALA 46 HN ALA 46 26.494 20.087 15.274 339 HA ALA 46 HA ALA 46 24.684 22.158 14.601 340 HB1 ALA 46 HB1 ALA 46 27.697 22.238 14.731 341 HB2 ALA 46 HB2 ALA 46 26.602 22.497 16.089 342 HB3 ALA 46 HB3 ALA 46 26.617 23.632 14.740 343 H GLU 47 HN GLU 47 27.001 20.290 12.805 344 HA GLU 47 HA GLU 47 27.035 21.872 10.446 345 HB2 GLU 47 HB2 GLU 47 28.660 20.005 11.214 346 HB3 GLU 47 HB1 GLU 47 27.485 18.896 10.526 347 HG2 GLU 47 HG2 GLU 47 29.219 19.300 8.930 348 HG3 GLU 47 HG1 GLU 47 27.726 20.042 8.355 349 H ALA 48 HN ALA 48 25.071 19.221 11.639 350 HA ALA 48 HA ALA 48 23.578 18.739 9.294 351 HB1 ALA 48 HB1 ALA 48 23.657 17.167 11.171 352 HB2 ALA 48 HB2 ALA 48 21.997 17.598 10.761 353 HB3 ALA 48 HB3 ALA 48 22.771 18.318 12.172 354 H GLU 49 HN GLU 49 23.195 20.991 11.974 355 HA GLU 49 HA GLU 49 20.671 22.022 11.359 356 HB2 GLU 49 HB2 GLU 49 23.042 23.545 12.463 357 HB3 GLU 49 HB1 GLU 49 21.355 24.023 12.585 358 HG2 GLU 49 HG2 GLU 49 20.909 22.032 13.951 359 HG3 GLU 49 HG1 GLU 49 22.618 21.608 13.860 360 H LYS 50 HN LYS 50 23.863 22.781 10.094 361 HA LYS 50 HA LYS 50 23.153 25.034 8.551 362 HB2 LYS 50 HB2 LYS 50 25.349 23.046 7.962 363 HB3 LYS 50 HB1 LYS 50 25.256 24.708 7.401 364 HG2 LYS 50 HG2 LYS 50 25.553 25.522 9.659 365 HG3 LYS 50 HG1 LYS 50 25.548 23.867 10.277 366 HD2 LYS 50 HD2 LYS 50 27.530 23.392 8.861 367 HD3 LYS 50 HD1 LYS 50 27.566 25.095 8.404 368 HE2 LYS 50 HE2 LYS 50 27.907 25.725 10.731 369 HE3 LYS 50 HE1 LYS 50 27.818 24.030 11.215 370 HZ1 LYS 50 HZ1 LYS 50 30.111 24.838 11.022 371 HZ2 LYS 50 HZ2 LYS 50 29.857 25.167 9.379 372 HZ3 LYS 50 HZ3 LYS 50 29.794 23.568 9.941 373 H ALA 51 HN ALA 51 23.390 21.591 7.775 374 HA ALA 51 HA ALA 51 22.696 21.903 5.031 375 HB1 ALA 51 HB1 ALA 51 22.541 19.474 4.995 376 HB2 ALA 51 HB2 ALA 51 22.593 19.431 6.757 377 HB3 ALA 51 HB3 ALA 51 23.995 19.995 5.848 378 H GLY 52 HN GLY 52 20.866 21.820 7.921 379 HA2 GLY 52 HA2 GLY 52 18.586 22.329 8.085 380 HA3 GLY 52 HA1 GLY 52 18.408 21.980 6.372 381 H VAL 53 HN VAL 53 20.050 19.777 8.479 382 HA VAL 53 HA VAL 53 18.144 17.705 7.863 383 HB VAL 53 HB VAL 53 20.572 17.602 9.664 384 HG11 VAL 53 HG11 VAL 53 18.995 15.818 10.150 385 HG12 VAL 53 HG12 VAL 53 20.428 15.171 9.352 386 HG13 VAL 53 HG13 VAL 53 18.932 15.385 8.442 387 HG21 VAL 53 HG21 VAL 53 20.264 16.820 6.767 388 HG22 VAL 53 HG22 VAL 53 21.695 16.539 7.757 389 HG23 VAL 53 HG23 VAL 53 21.190 18.187 7.386 390 H LYS 54 HN LYS 54 16.283 17.748 8.903 391 HA LYS 54 HA LYS 54 16.174 18.585 11.703 392 HB2 LYS 54 HB2 LYS 54 14.005 18.069 9.662 393 HB3 LYS 54 HB1 LYS 54 13.703 18.556 11.325 394 HG2 LYS 54 HG2 LYS 54 14.681 20.677 10.985 395 HG3 LYS 54 HG1 LYS 54 15.381 20.186 9.440 396 HD2 LYS 54 HD2 LYS 54 13.199 20.041 8.440 397 HD3 LYS 54 HD1 LYS 54 12.423 20.348 9.994 398 HE2 LYS 54 HE2 LYS 54 13.281 22.585 10.049 399 HE3 LYS 54 HE1 LYS 54 14.268 22.291 8.617 400 HZ1 LYS 54 HZ1 LYS 54 11.321 22.039 8.550 401 HZ2 LYS 54 HZ2 LYS 54 12.398 22.232 7.250 402 HZ3 LYS 54 HZ3 LYS 54 12.089 23.528 8.298 403 H SER 55 HN SER 55 15.981 15.785 9.708 404 HA SER 55 HA SER 55 15.809 14.106 12.068 405 HB2 SER 55 HB2 SER 55 13.814 13.836 9.799 406 HB3 SER 55 HB1 SER 55 13.974 12.729 11.163 407 HG SER 55 HG SER 55 13.696 15.315 11.964 408 H VAL 56 HN VAL 56 16.386 11.867 11.597 409 HA VAL 56 HA VAL 56 17.753 11.563 9.004 410 HB VAL 56 HB VAL 56 19.313 9.982 10.126 411 HG11 VAL 56 HG11 VAL 56 20.669 11.701 11.233 412 HG12 VAL 56 HG12 VAL 56 19.274 12.781 11.248 413 HG13 VAL 56 HG13 VAL 56 19.985 12.280 9.714 414 HG21 VAL 56 HG21 VAL 56 17.933 9.375 12.040 415 HG22 VAL 56 HG22 VAL 56 18.050 11.021 12.662 416 HG23 VAL 56 HG23 VAL 56 19.492 10.010 12.568 417 HA PRO 57 HA PRO 57 18.780 9.916 8.001 418 HB2 PRO 57 HB2 PRO 57 18.284 8.644 5.700 419 HB3 PRO 57 HB1 PRO 57 18.815 7.769 7.142 420 HG2 PRO 57 HG2 PRO 57 16.072 8.033 5.986 421 HG3 PRO 57 HG1 PRO 57 16.857 6.614 6.701 422 HD2 PRO 57 HD2 PRO 57 15.063 8.251 8.019 423 HD3 PRO 57 HD1 PRO 57 16.256 7.210 8.817 424 H ALA 58 HN ALA 58 19.217 11.330 6.306 425 HA ALA 58 HA ALA 58 16.951 12.465 4.836 426 HB1 ALA 58 HB1 ALA 58 17.724 14.742 5.271 427 HB2 ALA 58 HB2 ALA 58 18.995 14.117 6.323 428 HB3 ALA 58 HB3 ALA 58 17.301 13.922 6.774 429 H LEU 59 HN LEU 59 17.411 12.775 2.752 430 HA LEU 59 HA LEU 59 20.179 12.377 1.886 431 HB2 LEU 59 HB2 LEU 59 18.398 10.992 0.868 432 HB3 LEU 59 HB1 LEU 59 17.625 12.447 0.270 433 HG LEU 59 HG LEU 59 19.608 12.909 -1.130 434 HD11 LEU 59 HD11 LEU 59 20.558 10.221 -0.148 435 HD12 LEU 59 HD12 LEU 59 21.289 11.781 0.228 436 HD13 LEU 59 HD13 LEU 59 21.304 11.176 -1.430 437 HD21 LEU 59 HD21 LEU 59 19.221 11.126 -2.755 438 HD22 LEU 59 HD22 LEU 59 17.705 11.700 -2.058 439 HD23 LEU 59 HD23 LEU 59 18.403 10.172 -1.518 440 H VAL 60 HN VAL 60 21.258 14.230 1.967 441 HA VAL 60 HA VAL 60 19.974 16.751 1.329 442 HB VAL 60 HB VAL 60 22.875 16.237 2.011 443 HG11 VAL 60 HG11 VAL 60 22.495 18.387 0.942 444 HG12 VAL 60 HG12 VAL 60 22.895 18.605 2.646 445 HG13 VAL 60 HG13 VAL 60 21.222 18.758 2.105 446 HG21 VAL 60 HG21 VAL 60 21.452 15.423 3.806 447 HG22 VAL 60 HG22 VAL 60 20.587 16.960 3.839 448 HG23 VAL 60 HG23 VAL 60 22.288 16.894 4.302 449 H ILE 61 HN ILE 61 19.567 16.835 -0.823 450 HA ILE 61 HA ILE 61 21.677 16.136 -2.721 451 HB ILE 61 HB ILE 61 18.814 16.976 -3.224 452 HG12 ILE 61 HG12 ILE 61 20.117 14.246 -3.324 453 HG13 ILE 61 HG11 ILE 61 19.004 14.805 -2.080 454 HG21 ILE 61 HG21 ILE 61 20.256 17.526 -5.104 455 HG22 ILE 61 HG22 ILE 61 19.194 16.180 -5.512 456 HG23 ILE 61 HG23 ILE 61 20.886 15.880 -5.122 457 HD11 ILE 61 HD11 ILE 61 17.232 14.982 -3.737 458 HD12 ILE 61 HD12 ILE 61 17.902 13.352 -3.686 459 HD13 ILE 61 HD13 ILE 61 18.346 14.449 -4.995 460 H ASP 62 HN ASP 62 23.148 17.725 -2.806 461 HA ASP 62 HA ASP 62 24.125 19.673 -3.416 462 HB2 ASP 62 HB2 ASP 62 21.467 19.962 -4.753 463 HB3 ASP 62 HB1 ASP 62 22.567 21.335 -4.722 464 H GLY 63 HN GLY 63 21.904 19.498 -1.064 465 HA2 GLY 63 HA2 GLY 63 22.618 21.273 0.686 466 HA3 GLY 63 HA1 GLY 63 21.908 22.378 -0.483 467 H ALA 64 HN ALA 64 19.799 20.473 -1.224 468 HA ALA 64 HA ALA 64 17.966 21.126 0.920 469 HB1 ALA 64 HB1 ALA 64 17.469 19.721 -1.705 470 HB2 ALA 64 HB2 ALA 64 17.287 21.450 -1.407 471 HB3 ALA 64 HB3 ALA 64 16.233 20.298 -0.588 472 H ALA 65 HN ALA 65 17.525 19.809 2.556 473 HA ALA 65 HA ALA 65 18.451 17.049 2.438 474 HB1 ALA 65 HB1 ALA 65 19.067 18.415 4.375 475 HB2 ALA 65 HB2 ALA 65 18.090 17.024 4.847 476 HB3 ALA 65 HB3 ALA 65 17.360 18.628 4.766 477 H PHE 66 HN PHE 66 17.075 15.637 1.595 478 HA PHE 66 HA PHE 66 14.216 15.897 2.185 479 HB2 PHE 66 HB2 PHE 66 15.679 14.134 0.207 480 HB3 PHE 66 HB1 PHE 66 13.934 14.132 0.449 481 HD1 PHE 66 HD1 PHE 66 12.594 16.095 -0.176 482 HD2 PHE 66 HD2 PHE 66 16.752 15.848 -1.044 483 HE1 PHE 66 HE1 PHE 66 12.359 17.925 -1.802 484 HE2 PHE 66 HE2 PHE 66 16.525 17.678 -2.670 485 HZ PHE 66 HZ PHE 66 14.327 18.719 -3.049 486 H HIS 67 HN HIS 67 13.666 14.984 4.027 487 HA HIS 67 HA HIS 67 15.178 12.922 5.282 488 HB2 HIS 67 HB2 HIS 67 12.376 13.869 5.933 489 HB3 HIS 67 HB1 HIS 67 13.461 12.987 7.004 490 HD1 HIS 67 HD1 HIS 67 12.648 16.408 5.830 491 HD2 HIS 67 HD2 HIS 67 15.669 14.508 7.953 492 HE1 HIS 67 HE1 HIS 67 13.969 18.236 6.974 493 H ILE 68 HN ILE 68 14.814 10.754 5.384 494 HA ILE 68 HA ILE 68 12.730 9.725 3.575 495 HB ILE 68 HB ILE 68 15.240 8.302 4.482 496 HG12 ILE 68 HG12 ILE 68 14.633 9.616 1.820 497 HG13 ILE 68 HG11 ILE 68 15.730 10.260 3.037 498 HG21 ILE 68 HG21 ILE 68 13.201 7.611 2.367 499 HG22 ILE 68 HG22 ILE 68 13.406 6.801 3.920 500 HG23 ILE 68 HG23 ILE 68 14.678 6.709 2.701 501 HD11 ILE 68 HD11 ILE 68 16.947 9.163 1.253 502 HD12 ILE 68 HD12 ILE 68 16.064 7.665 1.549 503 HD13 ILE 68 HD13 ILE 68 17.162 8.299 2.776 504 H ASN 69 HN ASN 69 11.006 9.259 4.749 505 HA ASN 69 HA ASN 69 9.629 8.249 6.254 506 HB2 ASN 69 HB2 ASN 69 12.087 6.615 6.926 507 HB3 ASN 69 HB1 ASN 69 10.480 6.302 7.569 508 HD21 ASN 69 HD21 ASN 69 12.287 4.695 5.881 509 HD22 ASN 69 HD22 ASN 69 11.345 4.260 4.499 510 H PHE 70 HN PHE 70 9.674 7.598 8.795 511 HA PHE 70 HA PHE 70 10.900 9.897 10.147 512 HB2 PHE 70 HB2 PHE 70 8.419 9.689 10.299 513 HB3 PHE 70 HB1 PHE 70 8.627 8.136 11.100 514 HD1 PHE 70 HD2 PHE 70 9.254 11.763 11.415 515 HD2 PHE 70 HD1 PHE 70 9.069 8.010 13.412 516 HE1 PHE 70 HE2 PHE 70 9.395 12.914 13.584 517 HE2 PHE 70 HE1 PHE 70 9.209 9.154 15.584 518 HZ PHE 70 HZ PHE 70 9.373 11.609 15.673 519 H GLY 71 HN GLY 71 12.842 9.300 10.883 520 HA2 GLY 71 HA2 GLY 71 13.054 6.685 12.232 521 HA3 GLY 71 HA1 GLY 71 14.400 7.531 11.481 522 H ALA 72 HN ALA 72 15.098 9.542 12.461 523 HA ALA 72 HA ALA 72 14.337 9.854 15.274 524 HB1 ALA 72 HB1 ALA 72 16.676 9.963 15.969 525 HB2 ALA 72 HB2 ALA 72 17.191 9.599 14.323 526 HB3 ALA 72 HB3 ALA 72 16.305 8.394 15.255 527 H GLY 73 HN GLY 73 13.794 11.913 15.569 528 HA2 GLY 73 HA2 GLY 73 14.519 13.978 13.733 529 HA3 GLY 73 HA1 GLY 73 13.688 14.195 15.270 530 H ILE 74 HN ILE 74 15.852 15.783 14.076 531 HA ILE 74 HA ILE 74 18.331 15.198 15.254 532 HB ILE 74 HB ILE 74 18.094 16.807 13.411 533 HG12 ILE 74 HG12 ILE 74 19.307 18.026 15.905 534 HG13 ILE 74 HG11 ILE 74 20.101 16.876 14.837 535 HG21 ILE 74 HG21 ILE 74 16.845 18.613 15.476 536 HG22 ILE 74 HG22 ILE 74 16.035 17.898 14.081 537 HG23 ILE 74 HG23 ILE 74 17.311 19.092 13.844 538 HD11 ILE 74 HD11 ILE 74 20.021 18.504 13.024 539 HD12 ILE 74 HD12 ILE 74 20.870 19.141 14.434 540 HD13 ILE 74 HD13 ILE 74 19.218 19.654 14.093 541 H ASP 75 HN ASP 75 15.472 16.676 16.556 542 HA ASP 75 HA ASP 75 16.543 18.056 18.734 543 HB2 ASP 75 HB2 ASP 75 14.227 18.347 18.130 544 HB3 ASP 75 HB1 ASP 75 13.885 16.648 18.446 545 H ASP 76 HN ASP 76 15.780 14.640 18.347 546 HA ASP 76 HA ASP 76 16.150 14.039 21.137 547 HB2 ASP 76 HB2 ASP 76 15.937 12.202 18.743 548 HB3 ASP 76 HB1 ASP 76 15.957 11.671 20.420 549 H LEU 77 HN LEU 77 18.197 14.465 18.473 550 HA LEU 77 HA LEU 77 20.358 12.896 19.681 551 HB2 LEU 77 HB2 LEU 77 20.232 14.326 17.022 552 HB3 LEU 77 HB1 LEU 77 21.569 13.341 17.583 553 HG LEU 77 HG LEU 77 18.776 12.334 17.022 554 HD11 LEU 77 HD11 LEU 77 19.955 12.981 14.988 555 HD12 LEU 77 HD12 LEU 77 19.797 11.228 15.099 556 HD13 LEU 77 HD13 LEU 77 21.339 11.998 15.469 557 HD21 LEU 77 HD21 LEU 77 19.771 10.113 17.299 558 HD22 LEU 77 HD22 LEU 77 19.884 11.062 18.781 559 HD23 LEU 77 HD23 LEU 77 21.303 10.857 17.755 560 H LYS 78 HN LYS 78 19.295 16.129 19.049 561 HA LYS 78 HA LYS 78 21.835 17.364 19.621 562 HB2 LYS 78 HB2 LYS 78 20.140 18.288 18.019 563 HB3 LYS 78 HB1 LYS 78 19.105 18.640 19.394 564 HG2 LYS 78 HG2 LYS 78 20.746 20.184 20.275 565 HG3 LYS 78 HG1 LYS 78 21.853 19.788 18.957 566 HD2 LYS 78 HD2 LYS 78 20.120 20.583 17.353 567 HD3 LYS 78 HD1 LYS 78 19.155 21.115 18.730 568 HE2 LYS 78 HE2 LYS 78 21.947 22.062 18.103 569 HE3 LYS 78 HE1 LYS 78 20.473 22.935 17.695 570 HZ1 LYS 78 HZ1 LYS 78 21.402 22.258 20.438 571 HZ2 LYS 78 HZ2 LYS 78 19.948 23.049 20.063 572 HZ3 LYS 78 HZ3 LYS 78 21.431 23.794 19.712 573 H GLY 79 HN GLY 79 18.732 16.929 21.273 574 HA2 GLY 79 HA2 GLY 79 19.756 18.291 23.643 575 HA3 GLY 79 HA1 GLY 79 18.115 17.709 23.403 576 H SER 80 HN SER 80 18.890 17.119 25.757 577 HA SER 80 HA SER 80 20.255 14.542 25.793 578 HB2 SER 80 HB2 SER 80 19.238 16.244 28.087 579 HB3 SER 80 HB1 SER 80 20.245 14.804 28.231 580 HG SER 80 HG SER 80 21.650 16.480 28.305 581 H1 VAL 1 HT1 VAL 1 13.608 -4.465 -16.540 582 H2 VAL 1 HT2 VAL 1 13.427 -5.434 -15.160 583 H3 VAL 1 HT3 VAL 1 13.888 -6.138 -16.634 584 HA VAL 1 HA VAL 1 15.797 -5.969 -15.231 585 HB VAL 1 HB VAL 1 15.859 -3.849 -17.392 586 HG11 VAL 1 HG11 VAL 1 18.111 -5.389 -16.107 587 HG12 VAL 1 HG12 VAL 1 17.772 -3.670 -15.900 588 HG13 VAL 1 HG13 VAL 1 18.269 -4.289 -17.476 589 HG21 VAL 1 HG21 VAL 1 15.101 -5.991 -18.255 590 HG22 VAL 1 HG22 VAL 1 16.492 -6.794 -17.527 591 HG23 VAL 1 HG23 VAL 1 16.728 -5.633 -18.833 592 H ALA 2 HN ALA 2 14.272 -2.809 -15.774 593 HA ALA 2 HA ALA 2 15.866 -1.618 -13.652 594 HB1 ALA 2 HB1 ALA 2 14.764 0.471 -14.317 595 HB2 ALA 2 HB2 ALA 2 13.765 -0.427 -15.459 596 HB3 ALA 2 HB3 ALA 2 15.512 -0.342 -15.690 597 H SER 3 HN SER 3 15.114 -1.050 -11.675 598 HA SER 3 HA SER 3 12.589 -2.058 -10.778 599 HB2 SER 3 HB2 SER 3 14.565 -0.230 -9.380 600 HB3 SER 3 HB1 SER 3 13.229 -1.091 -8.613 601 HG SER 3 HG SER 3 14.270 -3.059 -9.425 602 H LYS 4 HN LYS 4 10.730 -0.910 -10.330 603 HA LYS 4 HA LYS 4 10.503 1.527 -11.892 604 HB2 LYS 4 HB2 LYS 4 8.883 -0.397 -12.065 605 HB3 LYS 4 HB1 LYS 4 8.307 0.034 -10.460 606 HG2 LYS 4 HG2 LYS 4 7.652 2.229 -11.267 607 HG3 LYS 4 HG1 LYS 4 8.250 1.823 -12.877 608 HD2 LYS 4 HD2 LYS 4 6.627 -0.094 -12.888 609 HD3 LYS 4 HD1 LYS 4 5.947 0.565 -11.397 610 HE2 LYS 4 HE2 LYS 4 5.560 2.708 -12.603 611 HE3 LYS 4 HE1 LYS 4 6.081 1.913 -14.087 612 HZ1 LYS 4 HZ1 LYS 4 4.256 0.287 -13.717 613 HZ2 LYS 4 HZ2 LYS 4 3.728 1.871 -14.009 614 HZ3 LYS 4 HZ3 LYS 4 3.708 1.253 -12.433 615 H ALA 5 HN ALA 5 10.975 3.379 -10.924 616 HA ALA 5 HA ALA 5 10.534 3.729 -8.070 617 HB1 ALA 5 HB1 ALA 5 11.717 5.622 -10.100 618 HB2 ALA 5 HB2 ALA 5 12.626 4.522 -9.064 619 HB3 ALA 5 HB3 ALA 5 11.709 5.849 -8.350 620 H ILE 6 HN ILE 6 8.492 4.130 -7.526 621 HA ILE 6 HA ILE 6 6.809 5.784 -9.256 622 HB ILE 6 HB ILE 6 6.063 4.231 -6.770 623 HG12 ILE 6 HG12 ILE 6 6.807 2.763 -8.605 624 HG13 ILE 6 HG11 ILE 6 5.082 2.590 -8.294 625 HG21 ILE 6 HG21 ILE 6 3.757 4.559 -7.530 626 HG22 ILE 6 HG22 ILE 6 4.342 5.545 -8.870 627 HG23 ILE 6 HG23 ILE 6 4.562 6.094 -7.209 628 HD11 ILE 6 HD11 ILE 6 5.564 2.609 -10.672 629 HD12 ILE 6 HD12 ILE 6 6.319 4.195 -10.515 630 HD13 ILE 6 HD13 ILE 6 4.592 4.006 -10.210 631 H PHE 7 HN PHE 7 6.528 7.871 -8.828 632 HA PHE 7 HA PHE 7 7.167 8.833 -6.125 633 HB2 PHE 7 HB2 PHE 7 8.445 9.873 -7.963 634 HB3 PHE 7 HB1 PHE 7 6.938 10.392 -8.712 635 HD1 PHE 7 HD1 PHE 7 8.869 10.702 -5.548 636 HD2 PHE 7 HD2 PHE 7 6.085 12.483 -8.226 637 HE1 PHE 7 HE1 PHE 7 8.947 12.783 -4.239 638 HE2 PHE 7 HE2 PHE 7 6.157 14.567 -6.923 639 HZ PHE 7 HZ PHE 7 7.589 14.719 -4.926 640 H TYR 8 HN TYR 8 5.371 8.768 -4.922 641 HA TYR 8 HA TYR 8 2.801 9.515 -6.077 642 HB2 TYR 8 HB2 TYR 8 3.619 8.390 -3.403 643 HB3 TYR 8 HB1 TYR 8 2.005 9.033 -3.673 644 HD1 TYR 8 HD2 TYR 8 0.683 8.017 -5.663 645 HD2 TYR 8 HD1 TYR 8 4.063 6.159 -3.877 646 HE1 TYR 8 HE2 TYR 8 -0.046 5.846 -6.557 647 HE2 TYR 8 HE1 TYR 8 3.343 3.983 -4.764 648 HH TYR 8 HH TYR 8 1.357 2.882 -5.558 649 H HIS 9 HN HIS 9 1.955 11.493 -5.908 650 HA HIS 9 HA HIS 9 2.764 13.171 -3.661 651 HB2 HIS 9 HB2 HIS 9 3.348 15.055 -4.985 652 HB3 HIS 9 HB1 HIS 9 4.241 13.691 -5.637 653 HD2 HIS 9 HD2 HIS 9 3.289 12.754 -8.155 654 HE1 HIS 9 HE1 HIS 9 1.158 16.330 -8.915 655 HE2 HIS 9 HE2 HIS 9 2.227 14.287 -9.962 656 H ALA 10 HN ALA 10 1.445 15.417 -4.022 657 HA ALA 10 HA ALA 10 -1.318 14.702 -4.689 658 HB1 ALA 10 HB1 ALA 10 -2.141 15.543 -2.561 659 HB2 ALA 10 HB2 ALA 10 -0.489 15.876 -2.037 660 HB3 ALA 10 HB3 ALA 10 -1.011 14.212 -2.307 661 H GLY 11 HN GLY 11 0.895 16.585 -5.671 662 HA2 GLY 11 HA2 GLY 11 0.629 18.535 -6.928 663 HA3 GLY 11 HA1 GLY 11 -0.912 18.811 -6.137 664 H CYS 12 HN CYS 12 0.712 18.327 -3.531 665 HA CYS 12 HA CYS 12 0.928 20.958 -2.692 666 HB2 CYS 12 HB2 CYS 12 2.593 18.681 -1.612 667 HB3 CYS 12 HB1 CYS 12 1.998 20.091 -0.740 668 HG CYS 12 HG CYS 12 -0.671 19.319 -0.801 669 HA PRO 13 HA PRO 13 4.616 22.701 -4.399 670 HB2 PRO 13 HB2 PRO 13 5.228 23.635 -1.639 671 HB3 PRO 13 HB1 PRO 13 5.113 24.558 -3.141 672 HG2 PRO 13 HG2 PRO 13 3.166 24.679 -1.340 673 HG3 PRO 13 HG1 PRO 13 2.792 24.630 -3.073 674 HD2 PRO 13 HD2 PRO 13 2.611 22.454 -1.029 675 HD3 PRO 13 HD1 PRO 13 1.526 22.819 -2.387 676 H VAL 14 HN VAL 14 4.841 20.767 -1.486 677 HA VAL 14 HA VAL 14 7.607 20.389 -1.335 678 HB VAL 14 HB VAL 14 5.463 18.361 -0.664 679 HG11 VAL 14 HG11 VAL 14 8.286 18.655 0.357 680 HG12 VAL 14 HG12 VAL 14 7.694 17.392 -0.723 681 HG13 VAL 14 HG13 VAL 14 7.099 17.486 0.935 682 HG21 VAL 14 HG21 VAL 14 5.562 19.273 1.611 683 HG22 VAL 14 HG22 VAL 14 5.014 20.477 0.444 684 HG23 VAL 14 HG23 VAL 14 6.668 20.528 1.053 685 H CYS 15 HN CYS 15 5.192 18.945 -3.416 686 HA CYS 15 HA CYS 15 6.625 16.655 -4.219 687 HB2 CYS 15 HB2 CYS 15 4.621 18.118 -5.931 688 HB3 CYS 15 HB1 CYS 15 4.959 16.389 -5.885 689 HG CYS 15 HG CYS 15 2.903 18.217 -3.997 690 H VAL 16 HN VAL 16 6.408 19.916 -5.566 691 HA VAL 16 HA VAL 16 7.780 19.490 -7.960 692 HB VAL 16 HB VAL 16 7.782 22.014 -6.295 693 HG11 VAL 16 HG11 VAL 16 9.452 22.057 -8.060 694 HG12 VAL 16 HG12 VAL 16 8.127 23.158 -8.436 695 HG13 VAL 16 HG13 VAL 16 8.233 21.595 -9.247 696 HG21 VAL 16 HG21 VAL 16 5.511 21.248 -6.691 697 HG22 VAL 16 HG22 VAL 16 5.845 21.094 -8.415 698 HG23 VAL 16 HG23 VAL 16 5.851 22.686 -7.654 699 H SER 17 HN SER 17 8.998 20.551 -4.801 700 HA SER 17 HA SER 17 11.680 20.856 -5.529 701 HB2 SER 17 HB2 SER 17 10.582 20.075 -2.818 702 HB3 SER 17 HB1 SER 17 12.141 20.837 -3.141 703 HG SER 17 HG SER 17 10.795 22.565 -4.162 704 H ALA 18 HN ALA 18 9.895 18.046 -4.351 705 HA ALA 18 HA ALA 18 12.181 16.364 -4.098 706 HB1 ALA 18 HB1 ALA 18 10.116 15.952 -2.854 707 HB2 ALA 18 HB2 ALA 18 10.577 14.553 -3.823 708 HB3 ALA 18 HB3 ALA 18 9.273 15.609 -4.364 709 H GLU 19 HN GLU 19 9.837 16.972 -6.663 710 HA GLU 19 HA GLU 19 10.649 14.872 -8.371 711 HB2 GLU 19 HB2 GLU 19 8.515 16.048 -8.643 712 HB3 GLU 19 HB1 GLU 19 9.374 17.524 -9.059 713 HG2 GLU 19 HG2 GLU 19 10.353 16.297 -11.010 714 HG3 GLU 19 HG1 GLU 19 9.253 14.969 -10.636 715 H GLN 20 HN GLN 20 11.536 18.312 -8.258 716 HA GLN 20 HA GLN 20 13.232 18.201 -10.520 717 HB2 GLN 20 HB2 GLN 20 13.199 20.189 -8.247 718 HB3 GLN 20 HB1 GLN 20 14.045 20.406 -9.773 719 HG2 GLN 20 HG2 GLN 20 11.879 20.279 -10.949 720 HG3 GLN 20 HG1 GLN 20 11.070 20.175 -9.386 721 HE21 GLN 20 HE21 GLN 20 10.780 22.182 -11.446 722 HE22 GLN 20 HE22 GLN 20 11.205 23.699 -10.717 723 H ALA 21 HN ALA 21 13.765 17.525 -7.138 724 HA ALA 21 HA ALA 21 16.653 17.436 -7.578 725 HB1 ALA 21 HB1 ALA 21 15.840 18.574 -5.571 726 HB2 ALA 21 HB2 ALA 21 16.858 17.189 -5.174 727 HB3 ALA 21 HB3 ALA 21 15.104 17.068 -5.022 728 H VAL 22 HN VAL 22 14.384 15.303 -5.825 729 HA VAL 22 HA VAL 22 16.174 13.108 -5.914 730 HB VAL 22 HB VAL 22 13.205 13.033 -5.349 731 HG11 VAL 22 HG11 VAL 22 13.748 11.029 -4.043 732 HG12 VAL 22 HG12 VAL 22 15.428 11.152 -4.564 733 HG13 VAL 22 HG13 VAL 22 14.159 10.834 -5.748 734 HG21 VAL 22 HG21 VAL 22 14.299 14.668 -3.916 735 HG22 VAL 22 HG22 VAL 22 15.507 13.472 -3.449 736 HG23 VAL 22 HG23 VAL 22 13.821 13.248 -2.986 737 H ALA 23 HN ALA 23 13.117 13.735 -7.641 738 HA ALA 23 HA ALA 23 13.226 11.263 -9.069 739 HB1 ALA 23 HB1 ALA 23 11.272 12.076 -10.265 740 HB2 ALA 23 HB2 ALA 23 11.521 13.691 -9.600 741 HB3 ALA 23 HB3 ALA 23 11.105 12.352 -8.530 742 H ASN 24 HN ASN 24 14.962 14.065 -9.452 743 HA ASN 24 HA ASN 24 15.317 13.606 -12.337 744 HB2 ASN 24 HB2 ASN 24 14.679 15.921 -11.555 745 HB3 ASN 24 HB1 ASN 24 16.233 16.002 -10.734 746 HD21 ASN 24 HD21 ASN 24 16.888 17.748 -11.963 747 HD22 ASN 24 HD22 ASN 24 17.345 17.588 -13.623 748 H ALA 25 HN ALA 25 16.691 13.109 -9.301 749 HA ALA 25 HA ALA 25 19.446 13.085 -10.176 750 HB1 ALA 25 HB1 ALA 25 18.895 13.717 -7.876 751 HB2 ALA 25 HB2 ALA 25 19.948 12.302 -7.924 752 HB3 ALA 25 HB3 ALA 25 18.226 12.108 -7.596 753 H ILE 26 HN ILE 26 16.812 10.852 -9.799 754 HA ILE 26 HA ILE 26 18.384 8.479 -10.102 755 HB ILE 26 HB ILE 26 15.429 8.872 -10.635 756 HG12 ILE 26 HG12 ILE 26 16.833 7.913 -8.128 757 HG13 ILE 26 HG11 ILE 26 16.085 9.494 -8.329 758 HG21 ILE 26 HG21 ILE 26 16.311 6.848 -11.660 759 HG22 ILE 26 HG22 ILE 26 15.275 6.447 -10.290 760 HG23 ILE 26 HG23 ILE 26 17.028 6.365 -10.122 761 HD11 ILE 26 HD11 ILE 26 14.656 7.997 -7.066 762 HD12 ILE 26 HD12 ILE 26 14.660 6.844 -8.401 763 HD13 ILE 26 HD13 ILE 26 13.908 8.426 -8.604 764 H ASP 27 HN ASP 27 18.933 7.409 -11.966 765 HA ASP 27 HA ASP 27 18.776 8.910 -14.424 766 HB2 ASP 27 HB2 ASP 27 20.795 7.561 -13.698 767 HB3 ASP 27 HB1 ASP 27 19.860 6.112 -14.053 768 HA PRO 28 HA PRO 28 14.846 7.142 -15.531 769 HB2 PRO 28 HB2 PRO 28 15.556 8.178 -18.213 770 HB3 PRO 28 HB1 PRO 28 14.141 8.516 -17.212 771 HG2 PRO 28 HG2 PRO 28 16.068 10.335 -17.522 772 HG3 PRO 28 HG1 PRO 28 15.243 10.128 -15.966 773 HD2 PRO 28 HD2 PRO 28 17.946 9.168 -16.824 774 HD3 PRO 28 HD1 PRO 28 17.437 9.859 -15.268 775 H SER 29 HN SER 29 17.844 6.475 -17.213 776 HA SER 29 HA SER 29 16.624 4.237 -18.641 777 HB2 SER 29 HB2 SER 29 19.475 5.251 -18.730 778 HB3 SER 29 HB1 SER 29 18.752 4.062 -19.815 779 HG SER 29 HG SER 29 18.298 6.840 -19.640 780 H LYS 30 HN LYS 30 18.297 4.909 -15.774 781 HA LYS 30 HA LYS 30 19.351 2.225 -15.454 782 HB2 LYS 30 HB2 LYS 30 20.527 4.243 -14.546 783 HB3 LYS 30 HB1 LYS 30 19.195 4.457 -13.421 784 HG2 LYS 30 HG2 LYS 30 19.683 2.229 -12.474 785 HG3 LYS 30 HG1 LYS 30 21.078 2.113 -13.550 786 HD2 LYS 30 HD2 LYS 30 22.028 4.127 -12.524 787 HD3 LYS 30 HD1 LYS 30 20.637 4.226 -11.442 788 HE2 LYS 30 HE2 LYS 30 21.232 1.971 -10.575 789 HE3 LYS 30 HE1 LYS 30 22.692 2.025 -11.563 790 HZ1 LYS 30 HZ1 LYS 30 23.168 2.700 -9.310 791 HZ2 LYS 30 HZ2 LYS 30 21.988 3.915 -9.385 792 HZ3 LYS 30 HZ3 LYS 30 23.373 4.023 -10.357 793 H TYR 31 HN TYR 31 16.823 4.275 -14.048 794 HA TYR 31 HA TYR 31 15.357 1.841 -13.328 795 HB2 TYR 31 HB2 TYR 31 15.809 4.220 -11.517 796 HB3 TYR 31 HB1 TYR 31 14.597 2.978 -11.218 797 HD1 TYR 31 HD2 TYR 31 15.510 0.516 -11.179 798 HD2 TYR 31 HD1 TYR 31 17.923 3.968 -10.586 799 HE1 TYR 31 HE2 TYR 31 17.196 -0.867 -10.045 800 HE2 TYR 31 HE1 TYR 31 19.619 2.591 -9.459 801 HH TYR 31 HH TYR 31 19.574 0.303 -8.139 802 H THR 32 HN THR 32 13.192 1.932 -13.707 803 HA THR 32 HA THR 32 12.301 4.044 -15.437 804 HB THR 32 HB THR 32 10.654 1.752 -14.356 805 HG1 THR 32 HG1 THR 32 12.348 1.827 -16.663 806 HG21 THR 32 HG21 THR 32 9.420 2.019 -16.462 807 HG22 THR 32 HG22 THR 32 10.464 3.370 -16.903 808 HG23 THR 32 HG23 THR 32 9.390 3.503 -15.510 809 H VAL 33 HN VAL 33 11.786 5.931 -14.483 810 HA VAL 33 HA VAL 33 10.465 5.992 -11.902 811 HB VAL 33 HB VAL 33 11.196 8.304 -13.711 812 HG11 VAL 33 HG11 VAL 33 9.502 8.877 -12.058 813 HG12 VAL 33 HG12 VAL 33 11.038 9.654 -11.673 814 HG13 VAL 33 HG13 VAL 33 10.519 8.229 -10.772 815 HG21 VAL 33 HG21 VAL 33 13.181 7.028 -13.120 816 HG22 VAL 33 HG22 VAL 33 12.738 7.101 -11.416 817 HG23 VAL 33 HG23 VAL 33 13.168 8.577 -12.278 818 H GLU 34 HN GLU 34 8.360 6.441 -11.540 819 HA GLU 34 HA GLU 34 6.717 7.478 -13.735 820 HB2 GLU 34 HB2 GLU 34 6.426 5.022 -13.722 821 HB3 GLU 34 HB1 GLU 34 5.955 5.094 -12.030 822 HG2 GLU 34 HG2 GLU 34 3.992 6.403 -12.613 823 HG3 GLU 34 HG1 GLU 34 4.474 6.392 -14.309 824 H ILE 35 HN ILE 35 5.622 9.183 -13.057 825 HA ILE 35 HA ILE 35 5.454 9.691 -10.179 826 HB ILE 35 HB ILE 35 4.937 11.552 -12.508 827 HG12 ILE 35 HG12 ILE 35 7.315 11.361 -10.641 828 HG13 ILE 35 HG11 ILE 35 7.294 10.821 -12.316 829 HG21 ILE 35 HG21 ILE 35 5.156 12.123 -9.554 830 HG22 ILE 35 HG22 ILE 35 3.687 12.205 -10.526 831 HG23 ILE 35 HG23 ILE 35 5.007 13.337 -10.826 832 HD11 ILE 35 HD11 ILE 35 6.911 13.117 -13.048 833 HD12 ILE 35 HD12 ILE 35 8.390 12.971 -12.099 834 HD13 ILE 35 HD13 ILE 35 6.937 13.655 -11.369 835 H VAL 36 HN VAL 36 3.604 9.511 -9.091 836 HA VAL 36 HA VAL 36 1.105 9.333 -10.643 837 HB VAL 36 HB VAL 36 1.734 7.830 -8.096 838 HG11 VAL 36 HG11 VAL 36 -0.375 6.659 -8.540 839 HG12 VAL 36 HG12 VAL 36 -0.656 7.703 -9.934 840 HG13 VAL 36 HG13 VAL 36 -0.627 8.390 -8.310 841 HG21 VAL 36 HG21 VAL 36 1.542 6.832 -10.937 842 HG22 VAL 36 HG22 VAL 36 1.729 5.821 -9.504 843 HG23 VAL 36 HG23 VAL 36 3.011 6.940 -9.967 844 H HIS 37 HN HIS 37 -0.114 11.001 -10.290 845 HA HIS 37 HA HIS 37 0.041 12.523 -7.813 846 HB2 HIS 37 HB2 HIS 37 0.008 13.773 -9.881 847 HB3 HIS 37 HB1 HIS 37 -1.441 12.938 -10.418 848 HD2 HIS 37 HD2 HIS 37 -3.358 14.762 -10.416 849 HE1 HIS 37 HE1 HIS 37 -2.419 16.604 -6.728 850 HE2 HIS 37 HE2 HIS 37 -3.921 16.686 -8.773 851 H LEU 38 HN LEU 38 -1.166 11.863 -6.134 852 HA LEU 38 HA LEU 38 -3.470 10.162 -6.606 853 HB2 LEU 38 HB2 LEU 38 -2.153 11.086 -4.056 854 HB3 LEU 38 HB1 LEU 38 -3.546 10.023 -4.109 855 HG LEU 38 HG LEU 38 -0.779 9.426 -5.158 856 HD11 LEU 38 HD11 LEU 38 -0.807 7.667 -3.465 857 HD12 LEU 38 HD12 LEU 38 -2.400 8.205 -2.929 858 HD13 LEU 38 HD13 LEU 38 -1.002 9.263 -2.738 859 HD21 LEU 38 HD21 LEU 38 -3.275 7.737 -5.277 860 HD22 LEU 38 HD22 LEU 38 -1.652 7.217 -5.729 861 HD23 LEU 38 HD23 LEU 38 -2.460 8.485 -6.651 862 H GLY 39 HN GLY 39 -3.070 13.372 -6.678 863 HA2 GLY 39 HA2 GLY 39 -5.363 14.203 -5.146 864 HA3 GLY 39 HA1 GLY 39 -4.441 15.194 -6.269 865 H THR 40 HN THR 40 -4.853 12.921 -8.290 866 HA THR 40 HA THR 40 -7.290 14.004 -9.404 867 HB THR 40 HB THR 40 -6.743 12.198 -11.211 868 HG1 THR 40 HG1 THR 40 -4.089 12.497 -10.431 869 HG21 THR 40 HG21 THR 40 -4.969 14.588 -10.770 870 HG22 THR 40 HG22 THR 40 -6.554 14.591 -11.544 871 HG23 THR 40 HG23 THR 40 -5.206 13.742 -12.299 872 H ASP 41 HN ASP 41 -6.188 10.654 -9.247 873 HA ASP 41 HA ASP 41 -8.928 9.801 -9.077 874 HB2 ASP 41 HB2 ASP 41 -6.322 8.331 -9.399 875 HB3 ASP 41 HB1 ASP 41 -7.823 7.471 -9.082 876 H LYS 42 HN LYS 42 -9.811 9.979 -7.102 877 HA LYS 42 HA LYS 42 -8.402 9.682 -4.667 878 HB2 LYS 42 HB2 LYS 42 -10.499 10.946 -4.830 879 HB3 LYS 42 HB1 LYS 42 -11.370 9.472 -5.225 880 HG2 LYS 42 HG2 LYS 42 -10.983 8.580 -3.038 881 HG3 LYS 42 HG1 LYS 42 -9.908 9.920 -2.632 882 HD2 LYS 42 HD2 LYS 42 -11.740 11.482 -2.733 883 HD3 LYS 42 HD1 LYS 42 -12.832 10.221 -3.309 884 HE2 LYS 42 HE2 LYS 42 -12.632 9.039 -1.209 885 HE3 LYS 42 HE1 LYS 42 -11.433 10.198 -0.637 886 HZ1 LYS 42 HZ1 LYS 42 -14.166 11.032 -1.405 887 HZ2 LYS 42 HZ2 LYS 42 -13.037 11.873 -0.457 888 HZ3 LYS 42 HZ3 LYS 42 -13.806 10.489 0.160 889 H ALA 43 HN ALA 43 -9.874 7.453 -6.857 890 HA ALA 43 HA ALA 43 -10.144 5.236 -5.120 891 HB1 ALA 43 HB1 ALA 43 -10.281 3.901 -7.151 892 HB2 ALA 43 HB2 ALA 43 -9.690 5.265 -8.100 893 HB3 ALA 43 HB3 ALA 43 -11.255 5.363 -7.292 894 H ARG 44 HN ARG 44 -7.395 6.642 -6.738 895 HA ARG 44 HA ARG 44 -5.725 4.321 -6.610 896 HB2 ARG 44 HB2 ARG 44 -5.010 7.244 -6.888 897 HB3 ARG 44 HB1 ARG 44 -3.853 5.928 -6.996 898 HG2 ARG 44 HG2 ARG 44 -6.176 6.406 -8.847 899 HG3 ARG 44 HG1 ARG 44 -4.479 6.732 -9.191 900 HD2 ARG 44 HD2 ARG 44 -4.067 4.263 -8.783 901 HD3 ARG 44 HD1 ARG 44 -5.821 4.066 -8.812 902 HE ARG 44 HE ARG 44 -4.078 4.673 -11.063 903 HH11 ARG 44 HH11 ARG 44 -7.366 4.386 -9.872 904 HH12 ARG 44 HH12 ARG 44 -8.075 4.430 -11.456 905 HH21 ARG 44 HH21 ARG 44 -5.006 4.696 -13.139 906 HH22 ARG 44 HH22 ARG 44 -6.733 4.593 -13.309 907 H ILE 45 HN ILE 45 -6.596 6.844 -4.405 908 HA ILE 45 HA ILE 45 -4.459 6.757 -2.607 909 HB ILE 45 HB ILE 45 -7.387 7.246 -2.022 910 HG12 ILE 45 HG12 ILE 45 -5.126 9.187 -2.560 911 HG13 ILE 45 HG11 ILE 45 -6.407 8.777 -3.694 912 HG21 ILE 45 HG21 ILE 45 -4.955 7.922 -0.369 913 HG22 ILE 45 HG22 ILE 45 -6.158 6.690 0.011 914 HG23 ILE 45 HG23 ILE 45 -6.615 8.393 -0.003 915 HD11 ILE 45 HD11 ILE 45 -6.826 10.911 -2.620 916 HD12 ILE 45 HD12 ILE 45 -6.772 10.140 -1.036 917 HD13 ILE 45 HD13 ILE 45 -8.058 9.732 -2.172 918 H ALA 46 HN ALA 46 -7.398 4.797 -2.789 919 HA ALA 46 HA ALA 46 -6.970 3.284 -0.457 920 HB1 ALA 46 HB1 ALA 46 -8.595 1.725 -1.392 921 HB2 ALA 46 HB2 ALA 46 -8.451 2.505 -2.967 922 HB3 ALA 46 HB3 ALA 46 -9.128 3.392 -1.602 923 H GLU 47 HN GLU 47 -5.992 2.786 -3.817 924 HA GLU 47 HA GLU 47 -4.844 0.227 -3.413 925 HB2 GLU 47 HB2 GLU 47 -4.359 2.300 -5.555 926 HB3 GLU 47 HB1 GLU 47 -3.696 0.671 -5.591 927 HG2 GLU 47 HG2 GLU 47 -6.601 1.444 -5.650 928 HG3 GLU 47 HG1 GLU 47 -5.650 0.761 -6.971 929 H ALA 48 HN ALA 48 -3.573 3.508 -3.260 930 HA ALA 48 HA ALA 48 -0.855 2.856 -2.929 931 HB1 ALA 48 HB1 ALA 48 -0.616 5.097 -1.988 932 HB2 ALA 48 HB2 ALA 48 -2.368 5.229 -1.839 933 HB3 ALA 48 HB3 ALA 48 -1.625 5.123 -3.434 934 H GLU 49 HN GLU 49 -3.514 3.199 -0.641 935 HA GLU 49 HA GLU 49 -2.017 2.872 1.722 936 HB2 GLU 49 HB2 GLU 49 -4.355 3.722 1.603 937 HB3 GLU 49 HB1 GLU 49 -4.894 2.090 1.230 938 HG2 GLU 49 HG2 GLU 49 -4.014 1.326 3.388 939 HG3 GLU 49 HG1 GLU 49 -3.534 2.982 3.758 940 H LYS 50 HN LYS 50 -3.620 0.559 -0.417 941 HA LYS 50 HA LYS 50 -3.077 -1.769 1.091 942 HB2 LYS 50 HB2 LYS 50 -3.456 -1.433 -1.892 943 HB3 LYS 50 HB1 LYS 50 -3.452 -2.975 -1.049 944 HG2 LYS 50 HG2 LYS 50 -5.451 -2.388 0.146 945 HG3 LYS 50 HG1 LYS 50 -5.417 -0.757 -0.528 946 HD2 LYS 50 HD2 LYS 50 -5.676 -1.706 -2.784 947 HD3 LYS 50 HD1 LYS 50 -5.760 -3.321 -2.080 948 HE2 LYS 50 HE2 LYS 50 -7.787 -2.754 -0.908 949 HE3 LYS 50 HE1 LYS 50 -7.671 -1.077 -1.445 950 HZ1 LYS 50 HZ1 LYS 50 -8.107 -3.453 -3.178 951 HZ2 LYS 50 HZ2 LYS 50 -7.889 -1.868 -3.742 952 HZ3 LYS 50 HZ3 LYS 50 -9.247 -2.255 -2.802 953 H ALA 51 HN ALA 51 -1.240 0.033 -1.285 954 HA ALA 51 HA ALA 51 0.786 -1.918 -1.696 955 HB1 ALA 51 HB1 ALA 51 0.313 -0.152 -3.324 956 HB2 ALA 51 HB2 ALA 51 2.005 -0.137 -2.825 957 HB3 ALA 51 HB3 ALA 51 0.883 1.059 -2.175 958 H GLY 52 HN GLY 52 0.306 0.619 0.648 959 HA2 GLY 52 HA2 GLY 52 1.459 0.243 2.797 960 HA3 GLY 52 HA1 GLY 52 2.902 -0.114 1.859 961 H VAL 53 HN VAL 53 0.964 2.428 0.663 962 HA VAL 53 HA VAL 53 2.994 4.373 1.369 963 HB VAL 53 HB VAL 53 0.435 4.743 -0.208 964 HG11 VAL 53 HG11 VAL 53 2.855 6.524 0.053 965 HG12 VAL 53 HG12 VAL 53 1.254 6.835 0.724 966 HG13 VAL 53 HG13 VAL 53 1.487 6.800 -1.024 967 HG21 VAL 53 HG21 VAL 53 1.932 3.154 -1.291 968 HG22 VAL 53 HG22 VAL 53 3.262 4.305 -1.168 969 HG23 VAL 53 HG23 VAL 53 1.873 4.670 -2.190 970 H LYS 54 HN LYS 54 2.905 5.148 3.364 971 HA LYS 54 HA LYS 54 0.370 5.329 4.771 972 HB2 LYS 54 HB2 LYS 54 3.111 6.073 5.799 973 HB3 LYS 54 HB1 LYS 54 1.681 5.682 6.744 974 HG2 LYS 54 HG2 LYS 54 1.802 3.383 6.122 975 HG3 LYS 54 HG1 LYS 54 3.065 3.714 4.935 976 HD2 LYS 54 HD2 LYS 54 4.511 4.495 6.830 977 HD3 LYS 54 HD1 LYS 54 3.271 3.907 7.937 978 HE2 LYS 54 HE2 LYS 54 4.673 2.204 5.880 979 HE3 LYS 54 HE1 LYS 54 5.154 2.316 7.571 980 HZ1 LYS 54 HZ1 LYS 54 2.961 1.470 8.193 981 HZ2 LYS 54 HZ2 LYS 54 3.798 0.374 7.213 982 HZ3 LYS 54 HZ3 LYS 54 2.545 1.311 6.556 983 H SER 55 HN SER 55 2.628 7.381 3.151 984 HA SER 55 HA SER 55 0.812 9.620 3.494 985 HB2 SER 55 HB2 SER 55 3.740 9.829 4.250 986 HB3 SER 55 HB1 SER 55 2.592 11.167 4.200 987 HG SER 55 HG SER 55 1.642 9.121 5.696 988 H VAL 56 HN VAL 56 1.019 11.199 1.866 989 HA VAL 56 HA VAL 56 2.430 10.301 -0.499 990 HB VAL 56 HB VAL 56 1.349 12.353 -1.565 991 HG11 VAL 56 HG11 VAL 56 0.518 10.086 -1.870 992 HG12 VAL 56 HG12 VAL 56 -0.819 11.229 -1.754 993 HG13 VAL 56 HG13 VAL 56 -0.408 10.211 -0.374 994 HG21 VAL 56 HG21 VAL 56 0.882 13.597 0.473 995 HG22 VAL 56 HG22 VAL 56 -0.198 12.313 1.020 996 HG23 VAL 56 HG23 VAL 56 -0.606 13.259 -0.413 997 HA PRO 57 HA PRO 57 5.067 13.016 -2.392 998 HB2 PRO 57 HB2 PRO 57 5.500 14.603 0.128 999 HB3 PRO 57 HB1 PRO 57 6.045 14.967 -1.521 1000 HG2 PRO 57 HG2 PRO 57 3.623 15.827 -0.431 1001 HG3 PRO 57 HG1 PRO 57 3.980 15.724 -2.164 1002 HD2 PRO 57 HD2 PRO 57 2.030 14.217 -0.774 1003 HD3 PRO 57 HD1 PRO 57 2.643 13.864 -2.410 1004 H ALA 58 HN ALA 58 5.689 10.923 -2.325 1005 HA ALA 58 HA ALA 58 7.888 10.293 -0.538 1006 HB1 ALA 58 HB1 ALA 58 6.965 8.121 0.098 1007 HB2 ALA 58 HB2 ALA 58 5.470 8.497 -0.759 1008 HB3 ALA 58 HB3 ALA 58 5.931 9.434 0.661 1009 H LEU 59 HN LEU 59 8.989 8.258 -1.265 1010 HA LEU 59 HA LEU 59 8.710 7.927 -4.182 1011 HB2 LEU 59 HB2 LEU 59 10.742 9.166 -3.540 1012 HB3 LEU 59 HB1 LEU 59 11.232 7.825 -2.525 1013 HG LEU 59 HG LEU 59 11.385 6.391 -4.544 1014 HD11 LEU 59 HD11 LEU 59 10.877 8.969 -6.023 1015 HD12 LEU 59 HD12 LEU 59 9.793 7.579 -5.958 1016 HD13 LEU 59 HD13 LEU 59 11.362 7.437 -6.750 1017 HD21 LEU 59 HD21 LEU 59 13.364 7.494 -3.653 1018 HD22 LEU 59 HD22 LEU 59 13.018 8.925 -4.625 1019 HD23 LEU 59 HD23 LEU 59 13.435 7.404 -5.413 1020 H VAL 60 HN VAL 60 8.111 5.970 -4.747 1021 HA VAL 60 HA VAL 60 8.528 3.730 -2.893 1022 HB VAL 60 HB VAL 60 6.662 3.941 -5.266 1023 HG11 VAL 60 HG11 VAL 60 7.321 1.645 -4.809 1024 HG12 VAL 60 HG12 VAL 60 5.633 1.908 -4.371 1025 HG13 VAL 60 HG13 VAL 60 6.869 1.837 -3.115 1026 HG21 VAL 60 HG21 VAL 60 6.008 5.462 -3.489 1027 HG22 VAL 60 HG22 VAL 60 6.088 4.150 -2.313 1028 HG23 VAL 60 HG23 VAL 60 4.876 4.113 -3.595 1029 H ILE 61 HN ILE 61 10.323 2.606 -3.336 1030 HA ILE 61 HA ILE 61 11.319 2.526 -6.073 1031 HB ILE 61 HB ILE 61 12.571 1.468 -3.534 1032 HG12 ILE 61 HG12 ILE 61 12.388 3.922 -3.579 1033 HG13 ILE 61 HG11 ILE 61 14.065 3.403 -3.711 1034 HG21 ILE 61 HG21 ILE 61 14.625 1.275 -4.871 1035 HG22 ILE 61 HG22 ILE 61 13.720 1.738 -6.311 1036 HG23 ILE 61 HG23 ILE 61 13.341 0.230 -5.478 1037 HD11 ILE 61 HD11 ILE 61 13.993 3.797 -6.120 1038 HD12 ILE 61 HD12 ILE 61 13.596 5.253 -5.207 1039 HD13 ILE 61 HD13 ILE 61 12.315 4.320 -5.981 1040 H ASP 62 HN ASP 62 9.978 1.162 -7.138 1041 HA ASP 62 HA ASP 62 9.324 -0.800 -8.054 1042 HB2 ASP 62 HB2 ASP 62 11.877 -1.110 -7.780 1043 HB3 ASP 62 HB1 ASP 62 11.457 -2.200 -6.465 1044 H GLY 63 HN GLY 63 8.269 0.035 -5.403 1045 HA2 GLY 63 HA2 GLY 63 6.268 -1.318 -4.693 1046 HA3 GLY 63 HA1 GLY 63 7.423 -2.610 -4.406 1047 H ALA 64 HN ALA 64 9.451 -0.775 -3.317 1048 HA ALA 64 HA ALA 64 8.415 -0.741 -0.608 1049 HB1 ALA 64 HB1 ALA 64 10.713 -0.259 0.049 1050 HB2 ALA 64 HB2 ALA 64 11.164 -0.062 -1.644 1051 HB3 ALA 64 HB3 ALA 64 10.645 -1.639 -1.046 1052 H ALA 65 HN ALA 65 7.335 0.960 0.114 1053 HA ALA 65 HA ALA 65 7.629 3.537 -1.216 1054 HB1 ALA 65 HB1 ALA 65 5.390 2.633 -0.827 1055 HB2 ALA 65 HB2 ALA 65 5.620 4.171 0.006 1056 HB3 ALA 65 HB3 ALA 65 5.682 2.659 0.912 1057 H PHE 66 HN PHE 66 9.144 4.885 -0.501 1058 HA PHE 66 HA PHE 66 9.568 5.113 2.411 1059 HB2 PHE 66 HB2 PHE 66 11.453 5.863 0.160 1060 HB3 PHE 66 HB1 PHE 66 11.786 6.037 1.880 1061 HD1 PHE 66 HD2 PHE 66 11.937 3.974 3.298 1062 HD2 PHE 66 HD1 PHE 66 11.829 3.841 -0.953 1063 HE1 PHE 66 HE2 PHE 66 12.843 1.689 3.350 1064 HE2 PHE 66 HE1 PHE 66 12.734 1.556 -0.907 1065 HZ PHE 66 HZ PHE 66 13.241 0.476 1.245 1066 H HIS 67 HN HIS 67 9.082 7.012 3.356 1067 HA HIS 67 HA HIS 67 7.684 8.956 1.757 1068 HB2 HIS 67 HB2 HIS 67 8.308 8.974 4.718 1069 HB3 HIS 67 HB1 HIS 67 7.171 10.038 3.898 1070 HD1 HIS 67 HD1 HIS 67 7.075 7.185 5.953 1071 HD2 HIS 67 HD2 HIS 67 5.205 8.219 2.383 1072 HE1 HIS 67 HE1 HIS 67 5.054 5.683 5.745 1073 H ILE 68 HN ILE 68 8.326 10.952 1.154 1074 HA ILE 68 HA ILE 68 11.090 11.722 1.806 1075 HB ILE 68 HB ILE 68 9.319 12.719 -0.439 1076 HG12 ILE 68 HG12 ILE 68 11.711 10.862 -0.506 1077 HG13 ILE 68 HG11 ILE 68 10.035 10.384 -0.760 1078 HG21 ILE 68 HG21 ILE 68 10.895 14.414 0.311 1079 HG22 ILE 68 HG22 ILE 68 11.358 13.801 -1.276 1080 HG23 ILE 68 HG23 ILE 68 12.226 13.265 0.163 1081 HD11 ILE 68 HD11 ILE 68 11.621 12.250 -2.507 1082 HD12 ILE 68 HD12 ILE 68 9.943 11.771 -2.765 1083 HD13 ILE 68 HD13 ILE 68 11.229 10.568 -2.863 1084 H ASN 69 HN ASN 69 11.051 12.939 3.583 1085 HA ASN 69 HA ASN 69 10.458 14.496 5.136 1086 HB2 ASN 69 HB2 ASN 69 9.271 15.876 2.709 1087 HB3 ASN 69 HB1 ASN 69 9.373 16.612 4.303 1088 HD21 ASN 69 HD21 ASN 69 10.555 17.518 1.836 1089 HD22 ASN 69 HD22 ASN 69 12.260 17.569 2.101 1090 H PHE 70 HN PHE 70 8.074 16.017 5.396 1091 HA PHE 70 HA PHE 70 6.064 13.880 5.461 1092 HB2 PHE 70 HB2 PHE 70 6.576 14.920 7.657 1093 HB3 PHE 70 HB1 PHE 70 6.084 16.483 7.012 1094 HD1 PHE 70 HD1 PHE 70 4.785 13.023 7.497 1095 HD2 PHE 70 HD2 PHE 70 3.906 17.182 7.309 1096 HE1 PHE 70 HE1 PHE 70 2.462 12.558 8.158 1097 HE2 PHE 70 HE2 PHE 70 1.582 16.725 7.969 1098 HZ PHE 70 HZ PHE 70 0.856 14.411 8.393 1099 H GLY 71 HN GLY 71 5.457 14.064 3.288 1100 HA2 GLY 71 HA2 GLY 71 4.650 16.514 2.113 1101 HA3 GLY 71 HA1 GLY 71 4.249 14.900 1.530 1102 H ALA 72 HN ALA 72 2.335 13.906 2.193 1103 HA ALA 72 HA ALA 72 0.729 15.393 4.148 1104 HB1 ALA 72 HB1 ALA 72 -0.023 16.171 1.920 1105 HB2 ALA 72 HB2 ALA 72 -1.288 15.370 2.852 1106 HB3 ALA 72 HB3 ALA 72 -0.488 14.515 1.536 1107 H GLY 73 HN GLY 73 -0.577 14.116 5.437 1108 HA2 GLY 73 HA2 GLY 73 0.022 11.320 5.489 1109 HA3 GLY 73 HA1 GLY 73 -1.155 12.148 6.502 1110 H ILE 74 HN ILE 74 -1.135 9.597 4.723 1111 HA ILE 74 HA ILE 74 -3.063 10.082 2.687 1112 HB ILE 74 HB ILE 74 -1.510 8.091 2.766 1113 HG12 ILE 74 HG12 ILE 74 -4.449 7.438 2.469 1114 HG13 ILE 74 HG11 ILE 74 -3.477 8.257 1.252 1115 HG21 ILE 74 HG21 ILE 74 -3.514 7.079 4.781 1116 HG22 ILE 74 HG22 ILE 74 -1.819 7.455 5.090 1117 HG23 ILE 74 HG23 ILE 74 -2.245 6.116 4.024 1118 HD11 ILE 74 HD11 ILE 74 -3.046 5.459 2.271 1119 HD12 ILE 74 HD12 ILE 74 -2.057 6.278 1.062 1120 HD13 ILE 74 HD13 ILE 74 -3.747 5.912 0.717 1121 H ASP 75 HN ASP 75 -3.212 9.528 6.072 1122 HA ASP 75 HA ASP 75 -5.997 8.853 6.189 1123 HB2 ASP 75 HB2 ASP 75 -4.461 8.123 7.945 1124 HB3 ASP 75 HB1 ASP 75 -4.068 9.796 8.325 1125 H ASP 76 HN ASP 76 -4.079 11.737 6.190 1126 HA ASP 76 HA ASP 76 -6.099 13.527 7.127 1127 HB2 ASP 76 HB2 ASP 76 -3.550 14.021 5.568 1128 HB3 ASP 76 HB1 ASP 76 -4.581 15.298 6.206 1129 H LEU 77 HN LEU 77 -5.084 12.297 4.018 1130 HA LEU 77 HA LEU 77 -6.464 14.023 2.314 1131 HB2 LEU 77 HB2 LEU 77 -5.981 11.059 1.977 1132 HB3 LEU 77 HB1 LEU 77 -6.439 12.165 0.696 1133 HG LEU 77 HG LEU 77 -3.849 12.258 2.248 1134 HD11 LEU 77 HD11 LEU 77 -3.968 10.345 0.747 1135 HD12 LEU 77 HD12 LEU 77 -2.825 11.547 0.148 1136 HD13 LEU 77 HD13 LEU 77 -4.422 11.405 -0.587 1137 HD21 LEU 77 HD21 LEU 77 -4.790 13.891 -0.108 1138 HD22 LEU 77 HD22 LEU 77 -3.179 13.942 0.607 1139 HD23 LEU 77 HD23 LEU 77 -4.576 14.475 1.542 1140 H LYS 78 HN LYS 78 -7.545 11.221 4.133 1141 HA LYS 78 HA LYS 78 -10.242 11.380 3.103 1142 HB2 LYS 78 HB2 LYS 78 -9.286 9.856 5.527 1143 HB3 LYS 78 HB1 LYS 78 -10.750 9.573 4.596 1144 HG2 LYS 78 HG2 LYS 78 -9.462 8.779 2.724 1145 HG3 LYS 78 HG1 LYS 78 -7.954 9.182 3.552 1146 HD2 LYS 78 HD2 LYS 78 -8.652 7.614 5.379 1147 HD3 LYS 78 HD1 LYS 78 -9.989 7.110 4.348 1148 HE2 LYS 78 HE2 LYS 78 -8.459 6.306 2.674 1149 HE3 LYS 78 HE1 LYS 78 -7.082 6.944 3.575 1150 HZ1 LYS 78 HZ1 LYS 78 -7.698 5.432 5.405 1151 HZ2 LYS 78 HZ2 LYS 78 -7.256 4.610 3.993 1152 HZ3 LYS 78 HZ3 LYS 78 -8.896 4.748 4.420 1153 H GLY 79 HN GLY 79 -10.753 13.559 3.643 1154 HA2 GLY 79 HA2 GLY 79 -11.809 13.846 6.302 1155 HA3 GLY 79 HA1 GLY 79 -10.424 14.882 5.993 1156 H SER 80 HN SER 80 -13.487 15.157 6.327 1157 HA SER 80 HA SER 80 -13.816 17.041 4.093 1158 HB2 SER 80 HB2 SER 80 -15.959 15.566 5.652 1159 HB3 SER 80 HB1 SER 80 -16.254 16.735 4.365 1160 HG SER 80 HG SER 80 -15.842 15.255 2.930
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