NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613725 | 5urn | 30243 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 H2 PRO 1 18.655 1.393 -7.591 2 H3 PRO 1 H1 PRO 1 20.000 0.974 -6.769 3 HA PRO 1 HA PRO 1 17.566 -0.132 -6.667 4 HB2 PRO 1 HB2 PRO 1 19.420 -2.339 -7.452 5 HB3 PRO 1 HB3 PRO 1 17.648 -2.244 -7.590 6 HG2 PRO 1 HG2 PRO 1 18.989 -1.836 -9.724 7 HG3 PRO 1 HG3 PRO 1 17.848 -0.723 -9.369 8 HD2 PRO 1 HD2 PRO 1 20.823 -0.402 -8.468 9 HD3 PRO 1 HD3 PRO 1 20.071 0.716 -9.392 10 H SER 2 H SER 2 17.379 -0.602 -4.585 11 HA SER 2 HA SER 2 19.760 -1.479 -3.088 12 HB2 SER 2 HB2 SER 2 18.839 -0.160 -1.130 13 HB3 SER 2 HB3 SER 2 19.460 0.810 -2.464 14 HG SER 2 HG SER 2 17.504 1.673 -1.944 15 H HIS 3 H HIS 3 16.255 -1.524 -3.397 16 HA HIS 3 HA HIS 3 14.667 -3.058 -2.907 17 HB2 HIS 3 HB2 HIS 3 16.960 -4.854 -2.164 18 HB3 HIS 3 HB3 HIS 3 15.308 -5.378 -2.224 19 HD1 HIS 3 HD1 HIS 3 18.249 -4.642 -4.342 20 HD2 HIS 3 HD2 HIS 3 14.238 -5.601 -4.857 21 HE1 HIS 3 HE1 HIS 3 18.018 -5.287 -6.762 22 HE2 HIS 3 HE2 HIS 3 15.607 -5.970 -7.020 23 H SER 4 H SER 4 17.024 -2.407 -0.425 24 HA SER 4 HA SER 4 14.906 -2.638 1.591 25 HB2 SER 4 HB2 SER 4 16.343 -4.548 1.904 26 HB3 SER 4 HB3 SER 4 17.786 -3.535 1.869 27 HG SER 4 HG SER 4 17.309 -2.777 3.854 28 H GLY 5 H GLY 5 14.855 -1.119 3.172 29 HA2 GLY 5 HA2 GLY 5 16.919 0.935 3.295 30 HA3 GLY 5 HA3 GLY 5 15.325 1.458 2.781 31 H ALA 6 H ALA 6 14.185 2.338 4.337 32 HA ALA 6 HA ALA 6 13.940 0.988 6.910 33 HB1 ALA 6 HB1 ALA 6 14.253 3.055 8.187 34 HB2 ALA 6 HB2 ALA 6 14.714 3.900 6.704 35 HB3 ALA 6 HB3 ALA 6 15.718 2.586 7.326 36 H ALA 7 H ALA 7 11.824 0.868 7.413 37 HA ALA 7 HA ALA 7 9.996 2.978 6.520 38 HB1 ALA 7 HB1 ALA 7 8.408 1.315 5.644 39 HB2 ALA 7 HB2 ALA 7 9.614 0.060 5.905 40 HB3 ALA 7 HB3 ALA 7 9.924 1.352 4.745 41 H ILE 8 H ILE 8 8.024 3.110 7.652 42 HA ILE 8 HA ILE 8 7.862 1.560 10.164 43 HB ILE 8 HB ILE 8 6.757 4.327 9.582 44 HG12 ILE 8 HG12 ILE 8 8.944 3.529 11.509 45 HG13 ILE 8 HG13 ILE 8 9.231 4.201 9.917 46 HG21 ILE 8 HG21 ILE 8 5.274 3.107 11.092 47 HG22 ILE 8 HG22 ILE 8 6.100 4.412 11.942 48 HG23 ILE 8 HG23 ILE 8 6.638 2.745 12.153 49 HD11 ILE 8 HD11 ILE 8 9.463 5.845 11.728 50 HD12 ILE 8 HD12 ILE 8 7.764 5.602 12.138 51 HD13 ILE 8 HD13 ILE 8 8.206 6.281 10.573 52 H PHE 9 H PHE 9 5.996 0.490 10.637 53 HA PHE 9 HA PHE 9 3.655 0.771 8.900 54 HB2 PHE 9 HB2 PHE 9 5.159 -1.059 7.999 55 HB3 PHE 9 HB3 PHE 9 4.884 -1.939 9.493 56 HD1 PHE 9 HD1 PHE 9 3.201 -0.559 6.491 57 HD2 PHE 9 HD2 PHE 9 2.967 -3.278 9.758 58 HE1 PHE 9 HE1 PHE 9 1.194 -1.571 5.503 59 HE2 PHE 9 HE2 PHE 9 0.960 -4.298 8.771 60 HZ PHE 9 HZ PHE 9 0.068 -3.444 6.639 61 H GLU 10 H GLU 10 1.914 0.948 10.122 62 HA GLU 10 HA GLU 10 0.477 0.964 11.874 63 HB2 GLU 10 HB2 GLU 10 1.818 -1.661 12.525 64 HB3 GLU 10 HB3 GLU 10 0.374 -1.069 13.330 65 HG2 GLU 10 HG2 GLU 10 -0.837 -1.098 11.235 66 HG3 GLU 10 HG3 GLU 10 0.612 -1.626 10.381 67 H LYS 11 H LYS 11 2.793 2.455 12.166 68 HA LYS 11 HA LYS 11 3.697 3.905 13.647 69 HB2 LYS 11 HB2 LYS 11 1.901 2.584 15.654 70 HB3 LYS 11 HB3 LYS 11 2.918 3.973 16.005 71 HG2 LYS 11 HG2 LYS 11 1.754 5.260 14.273 72 HG3 LYS 11 HG3 LYS 11 0.721 3.868 13.944 73 HD2 LYS 11 HD2 LYS 11 -0.085 3.943 16.271 74 HD3 LYS 11 HD3 LYS 11 0.943 5.352 16.536 75 HE2 LYS 11 HE2 LYS 11 -0.305 6.600 14.852 76 HE3 LYS 11 HE3 LYS 11 -1.339 5.198 14.571 77 HZ1 LYS 11 HZ1 LYS 11 -1.112 6.705 17.123 78 HZ2 LYS 11 HZ2 LYS 11 -2.093 5.351 16.867 79 HZ3 LYS 11 HZ3 LYS 11 -2.404 6.790 16.034 80 H VAL 12 H VAL 12 4.226 0.606 13.873 81 HA VAL 12 HA VAL 12 6.448 0.899 15.748 82 HB VAL 12 HB VAL 12 5.440 -1.592 14.335 83 HG11 VAL 12 HG11 VAL 12 7.595 -1.305 16.396 84 HG12 VAL 12 HG12 VAL 12 7.749 -1.911 14.748 85 HG13 VAL 12 HG13 VAL 12 6.845 -2.834 15.944 86 HG21 VAL 12 HG21 VAL 12 3.836 -0.858 15.997 87 HG22 VAL 12 HG22 VAL 12 5.106 -0.773 17.219 88 HG23 VAL 12 HG23 VAL 12 4.644 -2.333 16.533 89 H SER 13 H SER 13 8.417 1.408 15.077 90 HA SER 13 HA SER 13 8.880 1.739 12.251 91 HB2 SER 13 HB2 SER 13 9.585 3.549 13.672 92 HB3 SER 13 HB3 SER 13 10.559 2.458 14.656 93 HG SER 13 HG SER 13 11.115 2.562 11.926 94 H GLY 14 H GLY 14 10.251 0.708 10.964 95 HA2 GLY 14 HA2 GLY 14 12.018 -1.344 12.018 96 HA3 GLY 14 HA3 GLY 14 10.673 -1.916 11.053 97 H ILE 15 H ILE 15 12.259 -2.797 9.674 98 HA ILE 15 HA ILE 15 13.351 -0.842 7.758 99 HB ILE 15 HB ILE 15 14.626 -3.321 8.909 100 HG12 ILE 15 HG12 ILE 15 15.892 -0.610 8.466 101 HG13 ILE 15 HG13 ILE 15 15.024 -1.038 9.925 102 HG21 ILE 15 HG21 ILE 15 16.442 -3.184 7.240 103 HG22 ILE 15 HG22 ILE 15 15.480 -2.014 6.334 104 HG23 ILE 15 HG23 ILE 15 14.886 -3.663 6.555 105 HD11 ILE 15 HD11 ILE 15 16.682 -2.847 10.316 106 HD12 ILE 15 HD12 ILE 15 17.355 -1.218 10.347 107 HD13 ILE 15 HD13 ILE 15 17.594 -2.239 8.932 108 H ILE 16 H ILE 16 12.994 -1.292 5.606 109 HA ILE 16 HA ILE 16 11.150 -3.499 5.053 110 HB ILE 16 HB ILE 16 11.176 -0.751 4.290 111 HG12 ILE 16 HG12 ILE 16 9.356 -3.033 4.374 112 HG13 ILE 16 HG13 ILE 16 9.069 -1.350 4.780 113 HG21 ILE 16 HG21 ILE 16 12.402 -1.786 2.217 114 HG22 ILE 16 HG22 ILE 16 11.107 -0.604 1.993 115 HG23 ILE 16 HG23 ILE 16 10.771 -2.331 1.782 116 HD11 ILE 16 HD11 ILE 16 8.815 -0.900 2.323 117 HD12 ILE 16 HD12 ILE 16 7.571 -1.914 3.039 118 HD13 ILE 16 HD13 ILE 16 8.855 -2.644 2.071 119 H ALA 17 H ALA 17 11.549 -5.047 3.533 120 HA ALA 17 HA ALA 17 13.991 -4.845 1.916 121 HB1 ALA 17 HB1 ALA 17 14.572 -6.188 3.874 122 HB2 ALA 17 HB2 ALA 17 14.587 -7.163 2.403 123 HB3 ALA 17 HB3 ALA 17 13.232 -7.281 3.525 124 H ILE 18 H ILE 18 13.845 -5.683 -0.117 125 HA ILE 18 HA ILE 18 11.247 -6.789 -0.905 126 HB ILE 18 HB ILE 18 13.448 -5.599 -2.605 127 HG12 ILE 18 HG12 ILE 18 10.577 -4.752 -2.247 128 HG13 ILE 18 HG13 ILE 18 11.904 -4.060 -1.335 129 HG21 ILE 18 HG21 ILE 18 12.528 -7.477 -3.814 130 HG22 ILE 18 HG22 ILE 18 11.991 -5.965 -4.545 131 HG23 ILE 18 HG23 ILE 18 10.888 -6.894 -3.522 132 HD11 ILE 18 HD11 ILE 18 11.559 -2.510 -3.002 133 HD12 ILE 18 HD12 ILE 18 11.189 -3.739 -4.213 134 HD13 ILE 18 HD13 ILE 18 12.856 -3.496 -3.684 135 H ASN 19 H ASN 19 11.039 -8.694 -1.917 136 HA ASN 19 HA ASN 19 13.207 -10.643 -1.522 137 HB2 ASN 19 HB2 ASN 19 10.655 -10.638 -0.371 138 HB3 ASN 19 HB3 ASN 19 10.483 -11.723 -1.739 139 HD21 ASN 19 HD21 ASN 19 10.058 -13.224 0.136 140 HD22 ASN 19 HD22 ASN 19 11.420 -14.049 0.806 141 H GLU 20 H GLU 20 14.105 -10.757 -3.557 142 HA GLU 20 HA GLU 20 12.327 -11.771 -5.673 143 HB2 GLU 20 HB2 GLU 20 14.674 -9.904 -5.922 144 HB3 GLU 20 HB3 GLU 20 14.101 -10.837 -7.287 145 HG2 GLU 20 HG2 GLU 20 11.855 -9.742 -6.927 146 HG3 GLU 20 HG3 GLU 20 12.651 -8.692 -5.766 147 H ASP 21 H ASP 21 13.686 -13.080 -7.364 148 HA ASP 21 HA ASP 21 14.800 -15.021 -7.826 149 HB2 ASP 21 HB2 ASP 21 16.425 -14.401 -5.346 150 HB3 ASP 21 HB3 ASP 21 16.770 -15.706 -6.464 151 H VAL 22 H VAL 22 12.787 -14.494 -5.417 152 HA VAL 22 HA VAL 22 12.731 -17.206 -4.313 153 HB VAL 22 HB VAL 22 11.134 -16.233 -2.625 154 HG11 VAL 22 HG11 VAL 22 13.883 -15.008 -2.820 155 HG12 VAL 22 HG12 VAL 22 13.446 -16.530 -2.040 156 HG13 VAL 22 HG13 VAL 22 12.884 -15.003 -1.364 157 HG21 VAL 22 HG21 VAL 22 10.351 -14.269 -3.922 158 HG22 VAL 22 HG22 VAL 22 11.953 -13.549 -3.770 159 HG23 VAL 22 HG23 VAL 22 10.966 -13.814 -2.333 160 H SER 23 H SER 23 10.179 -17.676 -3.681 161 HA SER 23 HA SER 23 8.687 -17.877 -6.144 162 HB2 SER 23 HB2 SER 23 7.000 -18.956 -4.786 163 HB3 SER 23 HB3 SER 23 8.564 -19.510 -4.203 164 HG SER 23 HG SER 23 8.034 -18.751 -2.334 165 HA PRO 24 HA PRO 24 7.158 -14.468 -7.275 166 HB2 PRO 24 HB2 PRO 24 4.582 -14.124 -5.784 167 HB3 PRO 24 HB3 PRO 24 4.927 -13.873 -7.499 168 HG2 PRO 24 HG2 PRO 24 3.755 -16.057 -6.735 169 HG3 PRO 24 HG3 PRO 24 4.906 -16.135 -7.891 170 HD2 PRO 24 HD2 PRO 24 5.115 -16.972 -5.158 171 HD3 PRO 24 HD3 PRO 24 5.858 -17.621 -6.459 172 H ALA 25 H ALA 25 7.980 -12.560 -6.918 173 HA ALA 25 HA ALA 25 9.329 -12.034 -4.619 174 HB1 ALA 25 HB1 ALA 25 9.988 -11.098 -6.733 175 HB2 ALA 25 HB2 ALA 25 9.799 -9.802 -5.555 176 HB3 ALA 25 HB3 ALA 25 8.551 -10.080 -6.768 177 H GLU 26 H GLU 26 9.077 -10.977 -2.789 178 HA GLU 26 HA GLU 26 6.515 -9.675 -2.290 179 HB2 GLU 26 HB2 GLU 26 7.401 -11.001 0.089 180 HB3 GLU 26 HB3 GLU 26 5.906 -11.173 -0.774 181 HG2 GLU 26 HG2 GLU 26 6.625 -12.991 -1.971 182 HG3 GLU 26 HG3 GLU 26 8.326 -12.621 -1.696 183 H LEU 27 H LEU 27 6.415 -8.029 -0.874 184 HA LEU 27 HA LEU 27 8.972 -6.762 -0.235 185 HB2 LEU 27 HB2 LEU 27 7.400 -5.508 -1.594 186 HB3 LEU 27 HB3 LEU 27 6.142 -5.734 -0.442 187 HG LEU 27 HG LEU 27 7.483 -4.273 1.115 188 HD11 LEU 27 HD11 LEU 27 9.095 -2.753 0.258 189 HD12 LEU 27 HD12 LEU 27 8.962 -3.466 -1.350 190 HD13 LEU 27 HD13 LEU 27 9.631 -4.410 -0.017 191 HD21 LEU 27 HD21 LEU 27 6.806 -2.144 -0.034 192 HD22 LEU 27 HD22 LEU 27 5.543 -3.346 0.203 193 HD23 LEU 27 HD23 LEU 27 6.285 -3.155 -1.383 194 H THR 28 H THR 28 9.703 -7.305 1.667 195 HA THR 28 HA THR 28 7.802 -8.090 3.771 196 HB THR 28 HB THR 28 10.704 -8.877 3.388 197 HG1 THR 28 HG1 THR 28 9.344 -11.008 3.287 198 HG21 THR 28 HG21 THR 28 8.700 -9.767 5.472 199 HG22 THR 28 HG22 THR 28 10.185 -8.853 5.767 200 HG23 THR 28 HG23 THR 28 10.271 -10.520 5.193 201 H TRP 29 H TRP 29 7.413 -6.388 5.049 202 HA TRP 29 HA TRP 29 9.553 -4.699 6.035 203 HB2 TRP 29 HB2 TRP 29 7.364 -3.658 5.684 204 HB3 TRP 29 HB3 TRP 29 6.610 -4.819 6.764 205 HD1 TRP 29 HD1 TRP 29 8.747 -1.653 6.804 206 HE1 TRP 29 HE1 TRP 29 8.797 -0.688 9.189 207 HE3 TRP 29 HE3 TRP 29 6.380 -5.458 9.282 208 HZ2 TRP 29 HZ2 TRP 29 7.936 -1.429 11.772 209 HZ3 TRP 29 HZ3 TRP 29 6.039 -5.243 11.709 210 HH2 TRP 29 HH2 TRP 29 6.806 -3.271 12.925 211 H ARG 30 H ARG 30 10.673 -5.030 7.832 212 HA ARG 30 HA ARG 30 9.600 -6.870 9.862 213 HB2 ARG 30 HB2 ARG 30 12.488 -6.575 9.028 214 HB3 ARG 30 HB3 ARG 30 11.922 -7.517 10.395 215 HG2 ARG 30 HG2 ARG 30 10.611 -8.915 8.836 216 HG3 ARG 30 HG3 ARG 30 11.342 -8.028 7.505 217 HD2 ARG 30 HD2 ARG 30 12.528 -10.062 7.839 218 HD3 ARG 30 HD3 ARG 30 13.566 -8.728 8.323 219 HE ARG 30 HE ARG 30 12.100 -9.810 10.521 220 HH11 ARG 30 HH11 ARG 30 14.966 -10.361 8.561 221 HH12 ARG 30 HH12 ARG 30 15.783 -11.249 9.804 222 HH21 ARG 30 HH21 ARG 30 13.189 -10.972 12.128 223 HH22 ARG 30 HH22 ARG 30 14.777 -11.593 11.822 224 H SER 31 H SER 31 10.278 -6.396 12.062 225 HA SER 31 HA SER 31 10.198 -3.622 12.666 226 HB2 SER 31 HB2 SER 31 10.424 -4.368 15.024 227 HB3 SER 31 HB3 SER 31 9.220 -5.302 14.142 228 HG SER 31 HG SER 31 11.741 -6.087 15.053 229 H THR 32 H THR 32 11.941 -2.594 14.203 230 HA THR 32 HA THR 32 14.321 -2.331 12.776 231 HB THR 32 HB THR 32 13.858 -1.691 15.688 232 HG1 THR 32 HG1 THR 32 13.886 0.510 14.555 233 HG21 THR 32 HG21 THR 32 15.828 -0.281 15.568 234 HG22 THR 32 HG22 THR 32 16.085 -0.732 13.884 235 HG23 THR 32 HG23 THR 32 16.266 -1.942 15.157 236 H ASP 33 H ASP 33 13.597 -4.574 15.387 237 HA ASP 33 HA ASP 33 16.240 -5.812 15.100 238 HB2 ASP 33 HB2 ASP 33 13.969 -6.452 17.002 239 HB3 ASP 33 HB3 ASP 33 15.545 -7.237 17.004 240 H GLY 34 H GLY 34 12.839 -6.302 14.428 241 HA2 GLY 34 HA2 GLY 34 12.141 -7.427 12.448 242 HA3 GLY 34 HA3 GLY 34 13.517 -8.502 12.593 243 H ASP 35 H ASP 35 11.798 -7.898 15.516 244 HA ASP 35 HA ASP 35 10.875 -10.566 15.771 245 HB2 ASP 35 HB2 ASP 35 9.818 -9.774 17.846 246 HB3 ASP 35 HB3 ASP 35 11.484 -9.242 17.729 247 H LYS 36 H LYS 36 9.411 -7.611 14.630 248 HA LYS 36 HA LYS 36 6.873 -9.012 14.097 249 HB2 LYS 36 HB2 LYS 36 7.598 -6.077 14.244 250 HB3 LYS 36 HB3 LYS 36 6.105 -6.633 13.515 251 HG2 LYS 36 HG2 LYS 36 5.491 -7.674 15.663 252 HG3 LYS 36 HG3 LYS 36 6.967 -6.998 16.369 253 HD2 LYS 36 HD2 LYS 36 5.780 -4.871 15.040 254 HD3 LYS 36 HD3 LYS 36 4.437 -5.724 15.811 255 HE2 LYS 36 HE2 LYS 36 5.547 -3.911 17.181 256 HE3 LYS 36 HE3 LYS 36 5.364 -5.487 17.950 257 HZ1 LYS 36 HZ1 LYS 36 7.562 -4.536 18.330 258 HZ2 LYS 36 HZ2 LYS 36 7.847 -4.480 16.664 259 HZ3 LYS 36 HZ3 LYS 36 7.667 -5.972 17.440 260 H VAL 37 H VAL 37 6.190 -9.287 11.969 261 HA VAL 37 HA VAL 37 7.759 -8.090 9.832 262 HB VAL 37 HB VAL 37 9.066 -10.058 10.287 263 HG11 VAL 37 HG11 VAL 37 8.225 -12.344 10.101 264 HG12 VAL 37 HG12 VAL 37 6.588 -11.728 9.879 265 HG13 VAL 37 HG13 VAL 37 7.429 -11.464 11.406 266 HG21 VAL 37 HG21 VAL 37 8.590 -9.331 7.902 267 HG22 VAL 37 HG22 VAL 37 7.543 -10.748 7.796 268 HG23 VAL 37 HG23 VAL 37 9.265 -10.943 8.133 269 H HIS 38 H HIS 38 6.591 -7.586 8.104 270 HA HIS 38 HA HIS 38 3.998 -8.915 7.625 271 HB2 HIS 38 HB2 HIS 38 4.706 -5.979 7.408 272 HB3 HIS 38 HB3 HIS 38 3.276 -6.665 6.649 273 HD1 HIS 38 HD1 HIS 38 1.278 -7.187 8.147 274 HD2 HIS 38 HD2 HIS 38 4.600 -5.831 10.246 275 HE1 HIS 38 HE1 HIS 38 0.458 -6.724 10.479 276 HE2 HIS 38 HE2 HIS 38 2.507 -6.006 11.755 277 H THR 39 H THR 39 3.469 -9.290 5.411 278 HA THR 39 HA THR 39 5.734 -8.976 3.550 279 HB THR 39 HB THR 39 4.126 -11.507 3.959 280 HG1 THR 39 HG1 THR 39 6.908 -11.230 4.349 281 HG21 THR 39 HG21 THR 39 5.677 -12.551 2.382 282 HG22 THR 39 HG22 THR 39 6.476 -11.000 2.131 283 HG23 THR 39 HG23 THR 39 4.805 -11.227 1.608 284 H VAL 40 H VAL 40 5.231 -8.137 1.640 285 HA VAL 40 HA VAL 40 2.451 -8.302 0.653 286 HB VAL 40 HB VAL 40 4.598 -6.240 0.110 287 HG11 VAL 40 HG11 VAL 40 3.211 -5.037 -1.296 288 HG12 VAL 40 HG12 VAL 40 1.757 -5.821 -0.686 289 HG13 VAL 40 HG13 VAL 40 2.842 -6.703 -1.763 290 HG21 VAL 40 HG21 VAL 40 3.739 -6.004 2.323 291 HG22 VAL 40 HG22 VAL 40 2.082 -6.025 1.718 292 HG23 VAL 40 HG23 VAL 40 3.154 -4.684 1.313 293 H VAL 41 H VAL 41 2.386 -10.025 -0.768 294 HA VAL 41 HA VAL 41 4.545 -10.628 -2.603 295 HB VAL 41 HB VAL 41 1.709 -11.747 -2.451 296 HG11 VAL 41 HG11 VAL 41 2.533 -13.565 -3.894 297 HG12 VAL 41 HG12 VAL 41 4.082 -12.739 -4.050 298 HG13 VAL 41 HG13 VAL 41 2.622 -12.002 -4.709 299 HG21 VAL 41 HG21 VAL 41 2.757 -13.720 -1.454 300 HG22 VAL 41 HG22 VAL 41 3.091 -12.283 -0.487 301 HG23 VAL 41 HG23 VAL 41 4.339 -12.942 -1.546 302 H LEU 42 H LEU 42 4.832 -9.576 -4.506 303 HA LEU 42 HA LEU 42 2.993 -7.489 -5.175 304 HB2 LEU 42 HB2 LEU 42 5.604 -8.315 -6.420 305 HB3 LEU 42 HB3 LEU 42 4.612 -7.075 -7.127 306 HG LEU 42 HG LEU 42 6.214 -5.870 -5.958 307 HD11 LEU 42 HD11 LEU 42 3.997 -6.107 -3.958 308 HD12 LEU 42 HD12 LEU 42 3.940 -5.123 -5.418 309 HD13 LEU 42 HD13 LEU 42 5.106 -4.760 -4.149 310 HD21 LEU 42 HD21 LEU 42 7.002 -6.320 -3.720 311 HD22 LEU 42 HD22 LEU 42 7.210 -7.745 -4.739 312 HD23 LEU 42 HD23 LEU 42 5.885 -7.677 -3.578 313 H SER 43 H SER 43 3.393 -10.707 -6.326 314 HA SER 43 HA SER 43 2.181 -10.364 -8.891 315 HB2 SER 43 HB2 SER 43 1.956 -12.801 -8.899 316 HB3 SER 43 HB3 SER 43 3.533 -12.348 -8.270 317 HG SER 43 HG SER 43 1.804 -12.492 -6.237 318 H THR 44 H THR 44 1.007 -9.877 -5.862 319 HA THR 44 HA THR 44 -1.791 -10.388 -6.632 320 HB THR 44 HB THR 44 -2.361 -10.488 -4.265 321 HG1 THR 44 HG1 THR 44 -0.860 -9.138 -3.309 322 HG21 THR 44 HG21 THR 44 -1.193 -12.538 -3.604 323 HG22 THR 44 HG22 THR 44 0.021 -12.239 -4.849 324 HG23 THR 44 HG23 THR 44 -1.650 -12.586 -5.308 325 H ILE 45 H ILE 45 0.440 -8.022 -6.490 326 HA ILE 45 HA ILE 45 -1.332 -5.891 -5.494 327 HB ILE 45 HB ILE 45 1.654 -5.946 -6.015 328 HG12 ILE 45 HG12 ILE 45 1.040 -7.098 -3.954 329 HG13 ILE 45 HG13 ILE 45 1.883 -5.608 -3.578 330 HG21 ILE 45 HG21 ILE 45 0.177 -3.586 -4.868 331 HG22 ILE 45 HG22 ILE 45 0.635 -3.723 -6.564 332 HG23 ILE 45 HG23 ILE 45 1.885 -3.690 -5.318 333 HD11 ILE 45 HD11 ILE 45 -0.180 -4.557 -2.892 334 HD12 ILE 45 HD12 ILE 45 -0.001 -6.100 -2.057 335 HD13 ILE 45 HD13 ILE 45 -1.104 -5.965 -3.415 336 H ASP 46 H ASP 46 -1.942 -4.196 -6.795 337 HA ASP 46 HA ASP 46 -1.458 -4.546 -9.673 338 HB2 ASP 46 HB2 ASP 46 -3.789 -4.828 -8.962 339 HB3 ASP 46 HB3 ASP 46 -3.795 -3.224 -8.281 340 H LYS 47 H LYS 47 -1.663 -2.068 -7.112 341 HA LYS 47 HA LYS 47 -0.135 -0.250 -8.844 342 HB2 LYS 47 HB2 LYS 47 -2.624 0.380 -7.280 343 HB3 LYS 47 HB3 LYS 47 -1.516 1.636 -7.781 344 HG2 LYS 47 HG2 LYS 47 -1.897 1.053 -10.115 345 HG3 LYS 47 HG3 LYS 47 -2.942 -0.259 -9.594 346 HD2 LYS 47 HD2 LYS 47 -4.474 1.360 -8.564 347 HD3 LYS 47 HD3 LYS 47 -3.441 2.670 -9.123 348 HE2 LYS 47 HE2 LYS 47 -3.834 1.963 -11.443 349 HE3 LYS 47 HE3 LYS 47 -4.933 0.709 -10.865 350 HZ1 LYS 47 HZ1 LYS 47 -6.133 2.677 -11.604 351 HZ2 LYS 47 HZ2 LYS 47 -5.287 3.641 -10.502 352 HZ3 LYS 47 HZ3 LYS 47 -6.348 2.449 -9.941 353 H LEU 48 H LEU 48 0.680 1.725 -7.590 354 HA LEU 48 HA LEU 48 1.242 1.334 -4.749 355 HB2 LEU 48 HB2 LEU 48 3.704 2.072 -6.175 356 HB3 LEU 48 HB3 LEU 48 3.485 0.959 -4.849 357 HG LEU 48 HG LEU 48 2.754 -0.768 -6.465 358 HD11 LEU 48 HD11 LEU 48 3.936 0.255 -8.813 359 HD12 LEU 48 HD12 LEU 48 2.740 1.439 -8.279 360 HD13 LEU 48 HD13 LEU 48 2.257 -0.232 -8.561 361 HD21 LEU 48 HD21 LEU 48 4.965 -1.221 -7.277 362 HD22 LEU 48 HD22 LEU 48 5.032 -0.623 -5.619 363 HD23 LEU 48 HD23 LEU 48 5.447 0.444 -6.968 364 H GLN 49 H GLN 49 1.149 3.334 -3.751 365 HA GLN 49 HA GLN 49 1.708 5.720 -5.402 366 HB2 GLN 49 HB2 GLN 49 -0.531 5.486 -3.363 367 HB3 GLN 49 HB3 GLN 49 -0.055 6.965 -4.163 368 HG2 GLN 49 HG2 GLN 49 -0.722 6.010 -6.324 369 HG3 GLN 49 HG3 GLN 49 -1.187 4.535 -5.517 370 HE21 GLN 49 HE21 GLN 49 -1.855 7.995 -5.551 371 HE22 GLN 49 HE22 GLN 49 -3.529 7.857 -5.149 372 H ALA 50 H ALA 50 3.256 7.020 -4.575 373 HA ALA 50 HA ALA 50 3.896 6.799 -1.701 374 HB1 ALA 50 HB1 ALA 50 5.659 5.898 -3.090 375 HB2 ALA 50 HB2 ALA 50 6.211 7.374 -2.299 376 HB3 ALA 50 HB3 ALA 50 5.738 7.406 -4.002 377 H THR 51 H THR 51 4.530 8.680 -0.540 378 HA THR 51 HA THR 51 3.192 11.105 -1.189 379 HB THR 51 HB THR 51 3.604 10.492 1.147 380 HG1 THR 51 HG1 THR 51 3.329 12.647 1.012 381 HG21 THR 51 HG21 THR 51 5.925 10.935 2.078 382 HG22 THR 51 HG22 THR 51 6.515 10.901 0.419 383 HG23 THR 51 HG23 THR 51 5.760 9.466 1.117 384 HA PRO 52 HA PRO 52 6.383 12.902 -3.973 385 HB2 PRO 52 HB2 PRO 52 4.839 15.365 -3.384 386 HB3 PRO 52 HB3 PRO 52 5.334 14.697 -4.940 387 HG2 PRO 52 HG2 PRO 52 2.851 14.521 -4.112 388 HG3 PRO 52 HG3 PRO 52 3.526 13.315 -4.983 389 HD2 PRO 52 HD2 PRO 52 2.972 13.320 -2.144 390 HD3 PRO 52 HD3 PRO 52 2.943 12.036 -3.153 391 H ALA 53 H ALA 53 7.981 14.618 -3.812 392 HA ALA 53 HA ALA 53 8.987 15.038 -1.162 393 HB1 ALA 53 HB1 ALA 53 9.925 16.204 -3.781 394 HB2 ALA 53 HB2 ALA 53 10.480 14.690 -3.070 395 HB3 ALA 53 HB3 ALA 53 10.815 16.219 -2.260 396 H SER 54 H SER 54 6.689 16.652 -2.994 397 HA SER 54 HA SER 54 7.018 19.217 -1.649 398 HB2 SER 54 HB2 SER 54 5.138 19.950 -3.013 399 HB3 SER 54 HB3 SER 54 6.367 19.197 -4.020 400 HG SER 54 HG SER 54 4.817 17.243 -3.369 401 H SER 55 H SER 55 5.374 16.250 -1.290 402 HA SER 55 HA SER 55 3.132 17.124 0.219 403 HB2 SER 55 HB2 SER 55 2.979 15.055 -0.929 404 HB3 SER 55 HB3 SER 55 4.396 14.417 -0.099 405 HG SER 55 HG SER 55 2.409 15.310 1.574 406 H GLU 56 H GLU 56 2.800 17.300 2.345 407 HA GLU 56 HA GLU 56 4.906 17.739 4.175 408 HB2 GLU 56 HB2 GLU 56 1.965 17.276 4.563 409 HB3 GLU 56 HB3 GLU 56 3.041 17.717 5.876 410 HG2 GLU 56 HG2 GLU 56 3.533 19.822 4.810 411 HG3 GLU 56 HG3 GLU 56 2.593 19.359 3.395 412 H LYS 57 H LYS 57 3.559 14.904 3.060 413 HA LYS 57 HA LYS 57 3.757 13.398 5.531 414 HB2 LYS 57 HB2 LYS 57 2.658 12.660 2.843 415 HB3 LYS 57 HB3 LYS 57 2.526 11.720 4.295 416 HG2 LYS 57 HG2 LYS 57 1.332 14.427 3.867 417 HG3 LYS 57 HG3 LYS 57 0.467 12.913 3.748 418 HD2 LYS 57 HD2 LYS 57 1.033 12.471 6.116 419 HD3 LYS 57 HD3 LYS 57 1.708 14.101 6.206 420 HE2 LYS 57 HE2 LYS 57 -0.471 14.955 5.375 421 HE3 LYS 57 HE3 LYS 57 -1.125 13.328 5.557 422 HZ1 LYS 57 HZ1 LYS 57 -1.642 14.670 7.488 423 HZ2 LYS 57 HZ2 LYS 57 -0.002 14.993 7.749 424 HZ3 LYS 57 HZ3 LYS 57 -0.590 13.416 7.922 425 H MET 58 H MET 58 4.963 11.559 5.783 426 HA MET 58 HA MET 58 6.687 10.733 3.538 427 HB2 MET 58 HB2 MET 58 7.261 10.369 6.487 428 HB3 MET 58 HB3 MET 58 8.312 9.919 5.169 429 HG2 MET 58 HG2 MET 58 8.570 12.285 4.572 430 HG3 MET 58 HG3 MET 58 7.517 12.730 5.910 431 HE1 MET 58 HE1 MET 58 8.220 12.864 8.371 432 HE2 MET 58 HE2 MET 58 9.639 12.065 9.050 433 HE3 MET 58 HE3 MET 58 8.327 11.103 8.369 434 H MET 59 H MET 59 5.452 9.151 2.658 435 HA MET 59 HA MET 59 4.923 6.732 4.125 436 HB2 MET 59 HB2 MET 59 2.510 6.740 3.600 437 HB3 MET 59 HB3 MET 59 2.961 7.963 4.753 438 HG2 MET 59 HG2 MET 59 2.946 9.596 2.915 439 HG3 MET 59 HG3 MET 59 2.328 8.366 1.836 440 HE1 MET 59 HE1 MET 59 1.167 8.585 5.595 441 HE2 MET 59 HE2 MET 59 -0.259 9.615 5.519 442 HE3 MET 59 HE3 MET 59 1.355 10.315 5.330 443 H LEU 60 H LEU 60 4.084 5.006 2.783 444 HA LEU 60 HA LEU 60 4.208 5.389 -0.114 445 HB2 LEU 60 HB2 LEU 60 6.450 4.711 0.423 446 HB3 LEU 60 HB3 LEU 60 5.877 3.439 1.471 447 HG LEU 60 HG LEU 60 4.959 2.288 -0.574 448 HD11 LEU 60 HD11 LEU 60 5.706 2.942 -2.728 449 HD12 LEU 60 HD12 LEU 60 6.659 4.273 -2.055 450 HD13 LEU 60 HD13 LEU 60 4.897 4.317 -1.973 451 HD21 LEU 60 HD21 LEU 60 7.929 2.800 -0.548 452 HD22 LEU 60 HD22 LEU 60 7.109 1.484 -1.406 453 HD23 LEU 60 HD23 LEU 60 7.073 1.545 0.361 454 H ARG 61 H ARG 61 2.406 4.519 -0.946 455 HA ARG 61 HA ARG 61 0.915 2.563 0.651 456 HB2 ARG 61 HB2 ARG 61 -0.123 4.750 -0.205 457 HB3 ARG 61 HB3 ARG 61 -0.129 4.014 -1.781 458 HG2 ARG 61 HG2 ARG 61 -1.818 2.575 -1.265 459 HG3 ARG 61 HG3 ARG 61 -1.396 2.545 0.438 460 HD2 ARG 61 HD2 ARG 61 -3.467 3.661 0.308 461 HD3 ARG 61 HD3 ARG 61 -2.245 4.889 0.603 462 HE ARG 61 HE ARG 61 -2.518 4.846 -2.108 463 HH11 ARG 61 HH11 ARG 61 -4.736 5.349 0.576 464 HH12 ARG 61 HH12 ARG 61 -5.778 6.398 -0.327 465 HH21 ARG 61 HH21 ARG 61 -3.910 6.232 -3.269 466 HH22 ARG 61 HH22 ARG 61 -5.310 6.894 -2.495 467 H LEU 62 H LEU 62 0.173 0.636 -0.202 468 HA LEU 62 HA LEU 62 1.150 -0.195 -2.853 469 HB2 LEU 62 HB2 LEU 62 1.466 -1.496 -0.193 470 HB3 LEU 62 HB3 LEU 62 1.173 -2.531 -1.567 471 HG LEU 62 HG LEU 62 3.517 -2.505 -1.117 472 HD11 LEU 62 HD11 LEU 62 2.856 -2.554 -3.446 473 HD12 LEU 62 HD12 LEU 62 4.415 -1.758 -3.229 474 HD13 LEU 62 HD13 LEU 62 2.966 -0.795 -3.522 475 HD21 LEU 62 HD21 LEU 62 3.578 0.485 -1.483 476 HD22 LEU 62 HD22 LEU 62 4.910 -0.580 -1.029 477 HD23 LEU 62 HD23 LEU 62 3.570 -0.310 0.089 478 H ILE 63 H ILE 63 -0.506 -0.697 -4.120 479 HA ILE 63 HA ILE 63 -3.161 -0.989 -2.916 480 HB ILE 63 HB ILE 63 -2.309 -0.336 -5.739 481 HG12 ILE 63 HG12 ILE 63 -3.318 1.366 -3.487 482 HG13 ILE 63 HG13 ILE 63 -1.925 1.625 -4.511 483 HG21 ILE 63 HG21 ILE 63 -4.442 -1.515 -5.806 484 HG22 ILE 63 HG22 ILE 63 -4.625 0.180 -6.263 485 HG23 ILE 63 HG23 ILE 63 -5.116 -0.359 -4.654 486 HD11 ILE 63 HD11 ILE 63 -4.786 2.180 -5.052 487 HD12 ILE 63 HD12 ILE 63 -3.655 1.916 -6.382 488 HD13 ILE 63 HD13 ILE 63 -3.367 3.222 -5.247 489 H GLY 64 H GLY 64 -4.207 -2.856 -2.891 490 HA2 GLY 64 HA2 GLY 64 -2.960 -5.222 -3.991 491 HA3 GLY 64 HA3 GLY 64 -4.340 -5.175 -2.913 492 H LYS 65 H LYS 65 -4.287 -6.926 -4.964 493 HA LYS 65 HA LYS 65 -5.712 -5.854 -7.244 494 HB2 LYS 65 HB2 LYS 65 -4.008 -7.551 -7.592 495 HB3 LYS 65 HB3 LYS 65 -4.906 -8.680 -6.589 496 HG2 LYS 65 HG2 LYS 65 -6.741 -8.643 -8.126 497 HG3 LYS 65 HG3 LYS 65 -5.876 -7.496 -9.155 498 HD2 LYS 65 HD2 LYS 65 -4.100 -9.137 -9.464 499 HD3 LYS 65 HD3 LYS 65 -4.980 -10.288 -8.468 500 HE2 LYS 65 HE2 LYS 65 -6.861 -10.124 -10.048 501 HE3 LYS 65 HE3 LYS 65 -5.893 -9.054 -11.037 502 HZ1 LYS 65 HZ1 LYS 65 -4.308 -10.831 -11.386 503 HZ2 LYS 65 HZ2 LYS 65 -5.852 -11.332 -11.866 504 HZ3 LYS 65 HZ3 LYS 65 -5.208 -11.868 -10.396 505 H VAL 66 H VAL 66 -7.783 -5.609 -7.301 506 HA VAL 66 HA VAL 66 -9.537 -7.485 -5.873 507 HB VAL 66 HB VAL 66 -9.526 -4.527 -5.821 508 HG11 VAL 66 HG11 VAL 66 -11.840 -4.147 -5.472 509 HG12 VAL 66 HG12 VAL 66 -12.207 -5.872 -5.594 510 HG13 VAL 66 HG13 VAL 66 -11.687 -4.979 -7.023 511 HG21 VAL 66 HG21 VAL 66 -8.946 -5.715 -3.855 512 HG22 VAL 66 HG22 VAL 66 -10.389 -6.721 -3.966 513 HG23 VAL 66 HG23 VAL 66 -10.543 -5.012 -3.574 514 H ASP 67 H ASP 67 -11.425 -8.103 -6.847 515 HA ASP 67 HA ASP 67 -11.494 -7.903 -9.753 516 HB2 ASP 67 HB2 ASP 67 -11.758 -10.113 -8.612 517 HB3 ASP 67 HB3 ASP 67 -13.240 -9.523 -7.877 518 H GLU 68 H GLU 68 -12.344 -5.999 -10.382 519 HA GLU 68 HA GLU 68 -14.551 -4.793 -8.932 520 HB2 GLU 68 HB2 GLU 68 -12.905 -3.832 -11.276 521 HB3 GLU 68 HB3 GLU 68 -14.233 -2.913 -10.583 522 HG2 GLU 68 HG2 GLU 68 -13.072 -2.805 -8.447 523 HG3 GLU 68 HG3 GLU 68 -11.751 -3.775 -9.094 524 H SER 69 H SER 69 -14.423 -7.086 -11.308 525 HA SER 69 HA SER 69 -16.626 -6.193 -12.941 526 HB2 SER 69 HB2 SER 69 -16.473 -8.373 -14.017 527 HB3 SER 69 HB3 SER 69 -14.858 -7.694 -13.826 528 HG SER 69 HG SER 69 -14.370 -9.214 -12.412 529 H LYS 70 H LYS 70 -16.498 -7.242 -9.838 530 HA LYS 70 HA LYS 70 -19.054 -8.678 -9.837 531 HB2 LYS 70 HB2 LYS 70 -16.966 -8.185 -7.711 532 HB3 LYS 70 HB3 LYS 70 -18.511 -8.924 -7.350 533 HG2 LYS 70 HG2 LYS 70 -18.029 -10.763 -8.831 534 HG3 LYS 70 HG3 LYS 70 -16.528 -10.004 -9.341 535 HD2 LYS 70 HD2 LYS 70 -15.708 -10.186 -6.993 536 HD3 LYS 70 HD3 LYS 70 -17.194 -11.030 -6.564 537 HE2 LYS 70 HE2 LYS 70 -16.616 -12.884 -7.976 538 HE3 LYS 70 HE3 LYS 70 -15.252 -11.997 -8.657 539 HZ1 LYS 70 HZ1 LYS 70 -14.185 -12.032 -6.496 540 HZ2 LYS 70 HZ2 LYS 70 -14.535 -13.607 -7.000 541 HZ3 LYS 70 HZ3 LYS 70 -15.498 -12.863 -5.826 542 H LYS 71 H LYS 71 -18.987 -5.929 -10.534 543 HA LYS 71 HA LYS 71 -19.416 -3.948 -8.734 544 HB2 LYS 71 HB2 LYS 71 -20.995 -4.376 -11.282 545 HB3 LYS 71 HB3 LYS 71 -20.906 -2.869 -10.385 546 HG2 LYS 71 HG2 LYS 71 -18.260 -3.561 -10.856 547 HG3 LYS 71 HG3 LYS 71 -19.103 -3.921 -12.355 548 HD2 LYS 71 HD2 LYS 71 -20.173 -1.516 -11.634 549 HD3 LYS 71 HD3 LYS 71 -18.493 -1.341 -11.117 550 HE2 LYS 71 HE2 LYS 71 -17.983 -2.311 -13.475 551 HE3 LYS 71 HE3 LYS 71 -19.620 -1.783 -13.856 552 HZ1 LYS 71 HZ1 LYS 71 -17.439 -0.051 -12.817 553 HZ2 LYS 71 HZ2 LYS 71 -19.012 0.457 -13.172 554 HZ3 LYS 71 HZ3 LYS 71 -17.999 -0.084 -14.414 555 H ARG 72 H ARG 72 -20.752 -3.574 -7.098 556 HA ARG 72 HA ARG 72 -23.201 -5.180 -6.869 557 HB2 ARG 72 HB2 ARG 72 -21.516 -5.429 -5.082 558 HB3 ARG 72 HB3 ARG 72 -21.605 -3.709 -4.765 559 HG2 ARG 72 HG2 ARG 72 -23.812 -3.881 -3.904 560 HG3 ARG 72 HG3 ARG 72 -23.972 -5.541 -4.482 561 HD2 ARG 72 HD2 ARG 72 -23.570 -5.510 -2.086 562 HD3 ARG 72 HD3 ARG 72 -22.204 -6.240 -2.930 563 HE ARG 72 HE ARG 72 -20.887 -4.412 -2.356 564 HH11 ARG 72 HH11 ARG 72 -24.183 -3.881 -1.258 565 HH12 ARG 72 HH12 ARG 72 -23.749 -2.553 -0.236 566 HH21 ARG 72 HH21 ARG 72 -20.344 -2.671 -1.012 567 HH22 ARG 72 HH22 ARG 72 -21.578 -1.869 -0.098 568 H LYS 73 H LYS 73 -25.162 -4.175 -6.173 569 HA LYS 73 HA LYS 73 -25.253 -1.249 -6.453 570 HB2 LYS 73 HB2 LYS 73 -27.203 -3.245 -7.627 571 HB3 LYS 73 HB3 LYS 73 -27.491 -1.516 -7.549 572 HG2 LYS 73 HG2 LYS 73 -25.505 -1.125 -8.920 573 HG3 LYS 73 HG3 LYS 73 -25.264 -2.863 -9.025 574 HD2 LYS 73 HD2 LYS 73 -27.515 -3.049 -10.061 575 HD3 LYS 73 HD3 LYS 73 -27.596 -1.287 -10.087 576 HE2 LYS 73 HE2 LYS 73 -25.640 -1.189 -11.521 577 HE3 LYS 73 HE3 LYS 73 -25.455 -2.942 -11.422 578 HZ1 LYS 73 HZ1 LYS 73 -27.563 -3.199 -12.567 579 HZ2 LYS 73 HZ2 LYS 73 -26.506 -2.262 -13.495 580 HZ3 LYS 73 HZ3 LYS 73 -27.764 -1.521 -12.642 581 H ASP 74 H ASP 74 -26.819 -0.188 -5.226 582 HA ASP 74 HA ASP 74 -27.412 -1.483 -2.720 583 HB2 ASP 74 HB2 ASP 74 -27.703 0.661 -1.838 584 HB3 ASP 74 HB3 ASP 74 -26.446 0.833 -3.040 585 H ASN 75 H ASN 75 -29.720 -0.408 -1.763 586 HA ASN 75 HA ASN 75 -31.680 -2.126 -2.747 587 HB2 ASN 75 HB2 ASN 75 -31.889 0.339 -1.026 588 HB3 ASN 75 HB3 ASN 75 -33.280 -0.670 -1.391 589 HD21 ASN 75 HD21 ASN 75 -32.380 -0.202 1.224 590 HD22 ASN 75 HD22 ASN 75 -31.787 -1.686 1.879 591 H GLU 76 H GLU 76 -31.014 1.192 -3.695 592 HA GLU 76 HA GLU 76 -33.523 1.406 -5.166 593 HB2 GLU 76 HB2 GLU 76 -31.292 3.383 -4.674 594 HB3 GLU 76 HB3 GLU 76 -32.688 3.732 -5.683 595 HG2 GLU 76 HG2 GLU 76 -34.155 3.334 -3.736 596 HG3 GLU 76 HG3 GLU 76 -32.723 3.077 -2.744 597 H GLY 77 H GLY 77 -30.383 0.336 -5.758 598 HA2 GLY 77 HA2 GLY 77 -29.757 -0.692 -7.809 599 HA3 GLY 77 HA3 GLY 77 -30.843 0.392 -8.658 600 H ASN 78 H ASN 78 -28.676 1.596 -6.222 601 HA ASN 78 HA ASN 78 -27.266 3.204 -8.195 602 HB2 ASN 78 HB2 ASN 78 -27.273 3.181 -5.172 603 HB3 ASN 78 HB3 ASN 78 -26.180 4.192 -6.105 604 HD21 ASN 78 HD21 ASN 78 -28.897 4.294 -4.403 605 HD22 ASN 78 HD22 ASN 78 -29.745 5.564 -5.210 606 H GLU 79 H GLU 79 -25.093 3.082 -8.650 607 HA GLU 79 HA GLU 79 -23.935 0.482 -8.396 608 HB2 GLU 79 HB2 GLU 79 -23.666 1.884 -10.425 609 HB3 GLU 79 HB3 GLU 79 -22.711 3.030 -9.493 610 HG2 GLU 79 HG2 GLU 79 -21.021 1.299 -9.143 611 HG3 GLU 79 HG3 GLU 79 -22.000 0.175 -10.084 612 H VAL 80 H VAL 80 -22.956 -0.235 -6.667 613 HA VAL 80 HA VAL 80 -21.135 1.560 -5.213 614 HB VAL 80 HB VAL 80 -22.779 -0.644 -3.929 615 HG11 VAL 80 HG11 VAL 80 -21.857 0.204 -1.817 616 HG12 VAL 80 HG12 VAL 80 -20.854 1.337 -2.723 617 HG13 VAL 80 HG13 VAL 80 -20.597 -0.400 -2.894 618 HG21 VAL 80 HG21 VAL 80 -24.076 1.426 -4.520 619 HG22 VAL 80 HG22 VAL 80 -23.024 2.313 -3.414 620 HG23 VAL 80 HG23 VAL 80 -24.054 1.021 -2.804 621 H VAL 81 H VAL 81 -19.223 0.990 -5.927 622 HA VAL 81 HA VAL 81 -18.767 -1.793 -6.625 623 HB VAL 81 HB VAL 81 -17.182 0.632 -7.450 624 HG11 VAL 81 HG11 VAL 81 -16.186 -0.851 -9.181 625 HG12 VAL 81 HG12 VAL 81 -16.936 -2.223 -8.368 626 HG13 VAL 81 HG13 VAL 81 -15.725 -1.252 -7.526 627 HG21 VAL 81 HG21 VAL 81 -19.193 -0.943 -9.053 628 HG22 VAL 81 HG22 VAL 81 -18.190 0.372 -9.667 629 HG23 VAL 81 HG23 VAL 81 -19.403 0.694 -8.429 630 HA PRO 82 HA PRO 82 -16.151 -2.338 -2.979 631 HB2 PRO 82 HB2 PRO 82 -15.020 -4.711 -3.689 632 HB3 PRO 82 HB3 PRO 82 -16.664 -4.586 -3.055 633 HG2 PRO 82 HG2 PRO 82 -15.816 -4.744 -5.860 634 HG3 PRO 82 HG3 PRO 82 -16.989 -5.600 -5.114 635 HD2 PRO 82 HD2 PRO 82 -17.656 -3.558 -6.511 636 HD3 PRO 82 HD3 PRO 82 -18.427 -3.824 -5.096 637 H LYS 83 H LYS 83 -14.241 -1.525 -2.540 638 HA LYS 83 HA LYS 83 -12.459 -0.886 -4.759 639 HB2 LYS 83 HB2 LYS 83 -12.503 0.212 -1.960 640 HB3 LYS 83 HB3 LYS 83 -11.431 0.755 -3.224 641 HG2 LYS 83 HG2 LYS 83 -14.438 0.994 -3.288 642 HG3 LYS 83 HG3 LYS 83 -13.322 2.286 -2.871 643 HD2 LYS 83 HD2 LYS 83 -12.332 2.055 -5.144 644 HD3 LYS 83 HD3 LYS 83 -13.600 0.896 -5.538 645 HE2 LYS 83 HE2 LYS 83 -15.276 2.677 -5.001 646 HE3 LYS 83 HE3 LYS 83 -13.940 3.809 -4.810 647 HZ1 LYS 83 HZ1 LYS 83 -13.318 3.409 -7.111 648 HZ2 LYS 83 HZ2 LYS 83 -14.913 3.962 -7.012 649 HZ3 LYS 83 HZ3 LYS 83 -14.603 2.323 -7.295 650 HA PRO 84 HA PRO 84 -9.134 -3.565 -3.378 651 HB2 PRO 84 HB2 PRO 84 -6.944 -2.253 -4.260 652 HB3 PRO 84 HB3 PRO 84 -8.016 -3.139 -5.342 653 HG2 PRO 84 HG2 PRO 84 -7.895 -0.259 -4.850 654 HG3 PRO 84 HG3 PRO 84 -8.068 -1.040 -6.274 655 HD2 PRO 84 HD2 PRO 84 -10.243 -0.074 -5.005 656 HD3 PRO 84 HD3 PRO 84 -10.367 -1.428 -5.910 657 H GLN 85 H GLN 85 -7.512 -3.783 -1.845 658 HA GLN 85 HA GLN 85 -7.527 -1.729 0.227 659 HB2 GLN 85 HB2 GLN 85 -6.530 -4.581 0.243 660 HB3 GLN 85 HB3 GLN 85 -6.396 -3.490 1.614 661 HG2 GLN 85 HG2 GLN 85 -8.837 -3.298 1.692 662 HG3 GLN 85 HG3 GLN 85 -8.962 -4.397 0.326 663 HE21 GLN 85 HE21 GLN 85 -10.330 -5.591 1.834 664 HE22 GLN 85 HE22 GLN 85 -9.591 -6.701 2.932 665 H ARG 86 H ARG 86 -5.794 -0.628 0.939 666 HA ARG 86 HA ARG 86 -3.364 -0.786 -0.750 667 HB2 ARG 86 HB2 ARG 86 -4.359 1.699 0.648 668 HB3 ARG 86 HB3 ARG 86 -3.173 1.581 -0.643 669 HG2 ARG 86 HG2 ARG 86 -4.940 0.921 -2.207 670 HG3 ARG 86 HG3 ARG 86 -6.124 1.020 -0.909 671 HD2 ARG 86 HD2 ARG 86 -5.750 3.385 -0.669 672 HD3 ARG 86 HD3 ARG 86 -4.434 3.337 -1.839 673 HE ARG 86 HE ARG 86 -5.983 3.185 -3.564 674 HH11 ARG 86 HH11 ARG 86 -7.654 3.107 -0.472 675 HH12 ARG 86 HH12 ARG 86 -9.213 3.373 -1.180 676 HH21 ARG 86 HH21 ARG 86 -8.032 3.531 -4.464 677 HH22 ARG 86 HH22 ARG 86 -9.424 3.612 -3.438 678 H HIS 87 H HIS 87 -1.372 -0.743 0.243 679 HA HIS 87 HA HIS 87 -1.342 -0.947 3.187 680 HB2 HIS 87 HB2 HIS 87 0.547 -2.163 1.155 681 HB3 HIS 87 HB3 HIS 87 0.713 -2.316 2.895 682 HD1 HIS 87 HD1 HIS 87 -1.252 -3.718 4.093 683 HD2 HIS 87 HD2 HIS 87 -1.007 -4.047 -0.044 684 HE1 HIS 87 HE1 HIS 87 -2.525 -5.805 3.505 685 HE2 HIS 87 HE2 HIS 87 -2.451 -5.926 0.990 686 H MET 88 H MET 88 -0.476 0.777 4.193 687 HA MET 88 HA MET 88 1.257 2.602 2.676 688 HB2 MET 88 HB2 MET 88 -0.156 2.968 5.332 689 HB3 MET 88 HB3 MET 88 0.815 4.169 4.529 690 HG2 MET 88 HG2 MET 88 -0.701 4.319 2.695 691 HG3 MET 88 HG3 MET 88 -1.620 2.972 3.310 692 HE1 MET 88 HE1 MET 88 -1.137 6.893 3.562 693 HE2 MET 88 HE2 MET 88 -0.057 6.176 4.759 694 HE3 MET 88 HE3 MET 88 -1.452 7.110 5.285 695 H PHE 89 H PHE 89 3.291 3.240 3.386 696 HA PHE 89 HA PHE 89 4.378 2.107 5.875 697 HB2 PHE 89 HB2 PHE 89 5.800 2.093 3.204 698 HB3 PHE 89 HB3 PHE 89 6.567 1.735 4.730 699 HD1 PHE 89 HD1 PHE 89 4.455 0.468 2.066 700 HD2 PHE 89 HD2 PHE 89 6.072 -0.350 5.910 701 HE1 PHE 89 HE1 PHE 89 3.890 -1.917 1.800 702 HE2 PHE 89 HE2 PHE 89 5.512 -2.723 5.671 703 HZ PHE 89 HZ PHE 89 4.468 -3.513 3.506 704 H SER 90 H SER 90 5.320 3.682 7.079 705 HA SER 90 HA SER 90 5.637 6.333 5.946 706 HB2 SER 90 HB2 SER 90 4.829 6.694 8.008 707 HB3 SER 90 HB3 SER 90 5.496 5.209 8.669 708 HG SER 90 HG SER 90 6.479 7.736 8.739 709 H PHE 91 H PHE 91 7.515 7.533 5.882 710 HA PHE 91 HA PHE 91 10.033 5.994 5.930 711 HB2 PHE 91 HB2 PHE 91 8.790 7.553 3.693 712 HB3 PHE 91 HB3 PHE 91 10.540 7.490 3.813 713 HD1 PHE 91 HD1 PHE 91 7.527 5.318 3.659 714 HD2 PHE 91 HD2 PHE 91 11.698 5.685 2.881 715 HE1 PHE 91 HE1 PHE 91 7.505 3.134 2.520 716 HE2 PHE 91 HE2 PHE 91 11.670 3.501 1.744 717 HZ PHE 91 HZ PHE 91 9.599 2.270 1.487 718 H ASN 92 H ASN 92 11.949 7.562 5.505 719 HA ASN 92 HA ASN 92 11.540 10.097 6.942 720 HB2 ASN 92 HB2 ASN 92 13.962 8.281 7.098 721 HB3 ASN 92 HB3 ASN 92 13.855 9.873 7.833 722 HD21 ASN 92 HD21 ASN 92 13.437 6.601 8.286 723 HD22 ASN 92 HD22 ASN 92 12.545 6.641 9.765 724 H ASN 93 H ASN 93 12.622 8.599 4.087 725 HA ASN 93 HA ASN 93 13.602 11.152 3.038 726 HB2 ASN 93 HB2 ASN 93 15.537 9.616 3.797 727 HB3 ASN 93 HB3 ASN 93 15.112 8.617 2.413 728 HD21 ASN 93 HD21 ASN 93 17.541 10.169 3.008 729 HD22 ASN 93 HD22 ASN 93 17.758 11.229 1.661 730 H ARG 94 H ARG 94 13.210 11.487 0.879 731 HA ARG 94 HA ARG 94 11.201 9.842 -0.364 732 HB2 ARG 94 HB2 ARG 94 12.607 12.224 -1.567 733 HB3 ARG 94 HB3 ARG 94 11.074 11.526 -2.067 734 HG2 ARG 94 HG2 ARG 94 11.521 12.762 0.638 735 HG3 ARG 94 HG3 ARG 94 10.932 13.665 -0.754 736 HD2 ARG 94 HD2 ARG 94 9.082 11.945 -0.906 737 HD3 ARG 94 HD3 ARG 94 9.612 11.365 0.664 738 HE ARG 94 HE ARG 94 7.956 13.578 0.210 739 HH11 ARG 94 HH11 ARG 94 10.727 12.720 2.197 740 HH12 ARG 94 HH12 ARG 94 10.317 13.842 3.452 741 HH21 ARG 94 HH21 ARG 94 7.445 15.038 1.865 742 HH22 ARG 94 HH22 ARG 94 8.460 15.152 3.263 743 H THR 95 H THR 95 14.606 10.004 -0.495 744 HA THR 95 HA THR 95 14.950 9.065 -3.186 745 HB THR 95 HB THR 95 17.332 8.842 -2.598 746 HG1 THR 95 HG1 THR 95 17.397 8.163 -0.519 747 HG21 THR 95 HG21 THR 95 16.521 11.090 -3.167 748 HG22 THR 95 HG22 THR 95 17.812 11.168 -1.968 749 HG23 THR 95 HG23 THR 95 16.133 11.382 -1.471 750 H VAL 96 H VAL 96 14.327 7.548 -0.129 751 HA VAL 96 HA VAL 96 15.181 4.911 -1.010 752 HB VAL 96 HB VAL 96 13.519 5.610 1.441 753 HG11 VAL 96 HG11 VAL 96 15.107 3.103 0.884 754 HG12 VAL 96 HG12 VAL 96 13.369 3.244 0.659 755 HG13 VAL 96 HG13 VAL 96 14.062 3.418 2.270 756 HG21 VAL 96 HG21 VAL 96 15.547 5.425 2.755 757 HG22 VAL 96 HG22 VAL 96 15.754 6.663 1.510 758 HG23 VAL 96 HG23 VAL 96 16.486 5.074 1.302 759 H MET 97 H MET 97 11.991 6.302 -0.051 760 HA MET 97 HA MET 97 10.304 4.297 -0.892 761 HB2 MET 97 HB2 MET 97 8.523 5.912 -1.034 762 HB3 MET 97 HB3 MET 97 9.576 6.364 0.290 763 HG2 MET 97 HG2 MET 97 10.631 8.023 -1.133 764 HG3 MET 97 HG3 MET 97 9.497 7.641 -2.420 765 HE1 MET 97 HE1 MET 97 8.440 9.725 1.567 766 HE2 MET 97 HE2 MET 97 10.025 9.089 1.117 767 HE3 MET 97 HE3 MET 97 8.719 7.984 1.541 768 H ASP 98 H ASP 98 11.686 6.829 -2.953 769 HA ASP 98 HA ASP 98 10.299 6.041 -5.322 770 HB2 ASP 98 HB2 ASP 98 12.765 7.733 -4.826 771 HB3 ASP 98 HB3 ASP 98 12.147 7.428 -6.443 772 H ASN 99 H ASN 99 13.193 4.909 -3.773 773 HA ASN 99 HA ASN 99 14.113 3.408 -6.093 774 HB2 ASN 99 HB2 ASN 99 15.207 4.246 -3.529 775 HB3 ASN 99 HB3 ASN 99 15.533 2.549 -3.822 776 HD21 ASN 99 HD21 ASN 99 16.827 5.471 -4.090 777 HD22 ASN 99 HD22 ASN 99 17.845 5.259 -5.469 778 H ILE 100 H ILE 100 12.409 2.758 -3.028 779 HA ILE 100 HA ILE 100 12.323 -0.087 -3.339 780 HB ILE 100 HB ILE 100 10.378 1.671 -1.797 781 HG12 ILE 100 HG12 ILE 100 12.588 2.027 -0.881 782 HG13 ILE 100 HG13 ILE 100 11.659 1.076 0.243 783 HG21 ILE 100 HG21 ILE 100 9.557 -0.191 -0.671 784 HG22 ILE 100 HG22 ILE 100 10.920 -1.203 -1.146 785 HG23 ILE 100 HG23 ILE 100 9.706 -0.752 -2.337 786 HD11 ILE 100 HD11 ILE 100 13.940 0.315 0.176 787 HD12 ILE 100 HD12 ILE 100 13.851 0.087 -1.572 788 HD13 ILE 100 HD13 ILE 100 12.885 -0.928 -0.501 789 H LYS 101 H LYS 101 9.884 2.468 -3.935 790 HA LYS 101 HA LYS 101 7.929 1.045 -5.264 791 HB2 LYS 101 HB2 LYS 101 7.660 3.335 -4.510 792 HB3 LYS 101 HB3 LYS 101 8.839 3.882 -5.691 793 HG2 LYS 101 HG2 LYS 101 7.329 3.147 -7.500 794 HG3 LYS 101 HG3 LYS 101 6.147 2.680 -6.278 795 HD2 LYS 101 HD2 LYS 101 5.858 4.947 -5.582 796 HD3 LYS 101 HD3 LYS 101 7.247 5.461 -6.527 797 HE2 LYS 101 HE2 LYS 101 6.045 4.963 -8.593 798 HE3 LYS 101 HE3 LYS 101 4.658 4.416 -7.657 799 HZ1 LYS 101 HZ1 LYS 101 4.420 6.655 -6.774 800 HZ2 LYS 101 HZ2 LYS 101 4.348 6.669 -8.463 801 HZ3 LYS 101 HZ3 LYS 101 5.755 7.176 -7.675 802 H MET 102 H MET 102 10.826 2.555 -6.640 803 HA MET 102 HA MET 102 10.452 2.051 -9.346 804 HB2 MET 102 HB2 MET 102 12.280 3.387 -8.501 805 HB3 MET 102 HB3 MET 102 12.977 2.014 -7.695 806 HG2 MET 102 HG2 MET 102 12.810 1.301 -10.399 807 HG3 MET 102 HG3 MET 102 13.351 2.979 -10.358 808 HE1 MET 102 HE1 MET 102 15.820 -0.695 -9.475 809 HE2 MET 102 HE2 MET 102 14.499 -0.466 -10.618 810 HE3 MET 102 HE3 MET 102 14.155 -0.652 -8.899 811 H THR 103 H THR 103 12.132 -0.103 -7.006 812 HA THR 103 HA THR 103 12.443 -2.293 -8.738 813 HB THR 103 HB THR 103 12.159 -2.344 -5.718 814 HG1 THR 103 HG1 THR 103 14.541 -2.442 -5.934 815 HG21 THR 103 HG21 THR 103 11.900 -4.589 -6.687 816 HG22 THR 103 HG22 THR 103 13.433 -4.450 -5.830 817 HG23 THR 103 HG23 THR 103 13.400 -4.376 -7.589 818 H LEU 104 H LEU 104 9.967 -1.844 -6.174 819 HA LEU 104 HA LEU 104 8.238 -3.894 -6.564 820 HB2 LEU 104 HB2 LEU 104 7.576 -0.978 -6.091 821 HB3 LEU 104 HB3 LEU 104 6.403 -2.257 -5.916 822 HG LEU 104 HG LEU 104 8.911 -2.014 -4.264 823 HD11 LEU 104 HD11 LEU 104 6.190 -0.898 -3.944 824 HD12 LEU 104 HD12 LEU 104 7.736 -0.302 -3.340 825 HD13 LEU 104 HD13 LEU 104 6.922 -1.622 -2.517 826 HD21 LEU 104 HD21 LEU 104 8.203 -3.808 -3.018 827 HD22 LEU 104 HD22 LEU 104 7.684 -4.298 -4.629 828 HD23 LEU 104 HD23 LEU 104 6.522 -3.602 -3.495 829 H GLN 105 H GLN 105 7.920 -0.753 -8.170 830 HA GLN 105 HA GLN 105 5.929 -1.252 -10.010 831 HB2 GLN 105 HB2 GLN 105 7.009 0.947 -9.541 832 HB3 GLN 105 HB3 GLN 105 8.378 0.460 -10.516 833 HG2 GLN 105 HG2 GLN 105 6.988 1.859 -11.849 834 HG3 GLN 105 HG3 GLN 105 6.841 0.216 -12.456 835 HE21 GLN 105 HE21 GLN 105 4.864 -0.121 -13.135 836 HE22 GLN 105 HE22 GLN 105 3.407 0.370 -12.344 837 H GLN 106 H GLN 106 9.286 -2.212 -10.248 838 HA GLN 106 HA GLN 106 9.096 -3.026 -13.022 839 HB2 GLN 106 HB2 GLN 106 11.272 -3.117 -10.937 840 HB3 GLN 106 HB3 GLN 106 11.448 -3.944 -12.473 841 HG2 GLN 106 HG2 GLN 106 11.160 -1.849 -13.659 842 HG3 GLN 106 HG3 GLN 106 10.963 -0.982 -12.149 843 HE21 GLN 106 HE21 GLN 106 12.844 0.046 -13.675 844 HE22 GLN 106 HE22 GLN 106 14.435 -0.405 -13.178 845 H ILE 107 H ILE 107 8.607 -4.411 -9.914 846 HA ILE 107 HA ILE 107 8.753 -7.167 -10.740 847 HB ILE 107 HB ILE 107 7.785 -5.850 -8.186 848 HG12 ILE 107 HG12 ILE 107 10.226 -7.569 -8.721 849 HG13 ILE 107 HG13 ILE 107 10.239 -5.825 -8.679 850 HG21 ILE 107 HG21 ILE 107 7.594 -8.043 -7.183 851 HG22 ILE 107 HG22 ILE 107 8.040 -8.814 -8.709 852 HG23 ILE 107 HG23 ILE 107 6.523 -7.922 -8.578 853 HD11 ILE 107 HD11 ILE 107 9.463 -7.506 -6.321 854 HD12 ILE 107 HD12 ILE 107 9.794 -5.773 -6.352 855 HD13 ILE 107 HD13 ILE 107 11.100 -6.930 -6.623 856 H ILE 108 H ILE 108 6.108 -4.841 -10.053 857 HA ILE 108 HA ILE 108 3.997 -6.733 -10.419 858 HB ILE 108 HB ILE 108 3.903 -3.697 -10.473 859 HG12 ILE 108 HG12 ILE 108 2.768 -5.449 -8.341 860 HG13 ILE 108 HG13 ILE 108 4.486 -5.156 -8.359 861 HG21 ILE 108 HG21 ILE 108 1.473 -3.886 -10.245 862 HG22 ILE 108 HG22 ILE 108 1.591 -5.649 -10.313 863 HG23 ILE 108 HG23 ILE 108 2.002 -4.683 -11.733 864 HD11 ILE 108 HD11 ILE 108 3.292 -3.663 -6.841 865 HD12 ILE 108 HD12 ILE 108 2.392 -3.017 -8.212 866 HD13 ILE 108 HD13 ILE 108 4.137 -2.796 -8.120 867 H SER 109 H SER 109 5.680 -4.534 -12.543 868 HA SER 109 HA SER 109 4.011 -4.741 -14.824 869 HB2 SER 109 HB2 SER 109 5.859 -3.798 -16.061 870 HB3 SER 109 HB3 SER 109 5.761 -2.998 -14.492 871 HG SER 109 HG SER 109 7.362 -4.951 -14.048 872 H ARG 110 H ARG 110 6.289 -6.954 -13.447 873 HA ARG 110 HA ARG 110 6.588 -8.628 -15.776 874 HB2 ARG 110 HB2 ARG 110 7.180 -9.089 -12.858 875 HB3 ARG 110 HB3 ARG 110 7.448 -10.308 -14.094 876 HG2 ARG 110 HG2 ARG 110 9.043 -8.879 -15.202 877 HG3 ARG 110 HG3 ARG 110 8.729 -7.583 -14.049 878 HD2 ARG 110 HD2 ARG 110 9.538 -9.022 -12.232 879 HD3 ARG 110 HD3 ARG 110 9.853 -10.295 -13.407 880 HE ARG 110 HE ARG 110 11.281 -8.177 -14.342 881 HH11 ARG 110 HH11 ARG 110 11.247 -9.894 -11.275 882 HH12 ARG 110 HH12 ARG 110 12.915 -9.566 -10.943 883 HH21 ARG 110 HH21 ARG 110 13.460 -7.760 -13.884 884 HH22 ARG 110 HH22 ARG 110 14.164 -8.357 -12.419 885 H TYR 111 H TYR 111 4.635 -8.665 -12.838 886 HA TYR 111 HA TYR 111 3.069 -10.966 -13.649 887 HB2 TYR 111 HB2 TYR 111 2.647 -9.042 -11.355 888 HB3 TYR 111 HB3 TYR 111 1.817 -10.573 -11.586 889 HD1 TYR 111 HD1 TYR 111 4.648 -8.962 -10.149 890 HD2 TYR 111 HD2 TYR 111 3.273 -12.713 -11.627 891 HE1 TYR 111 HE1 TYR 111 6.431 -10.102 -8.902 892 HE2 TYR 111 HE2 TYR 111 5.056 -13.859 -10.388 893 HH TYR 111 HH TYR 111 7.254 -13.356 -9.450 894 H LYS 112 H LYS 112 3.131 -7.838 -14.621 895 HA LYS 112 HA LYS 112 0.272 -7.385 -14.918 896 HB2 LYS 112 HB2 LYS 112 1.813 -5.544 -14.328 897 HB3 LYS 112 HB3 LYS 112 2.652 -5.769 -15.857 898 HG2 LYS 112 HG2 LYS 112 1.234 -3.925 -16.171 899 HG3 LYS 112 HG3 LYS 112 0.448 -5.264 -16.978 900 HD2 LYS 112 HD2 LYS 112 -1.064 -5.548 -15.067 901 HD3 LYS 112 HD3 LYS 112 -0.253 -4.234 -14.224 902 HE2 LYS 112 HE2 LYS 112 -0.982 -2.683 -16.023 903 HE3 LYS 112 HE3 LYS 112 -1.858 -4.011 -16.778 904 HZ1 LYS 112 HZ1 LYS 112 -3.293 -2.590 -15.423 905 HZ2 LYS 112 HZ2 LYS 112 -2.383 -2.965 -14.047 906 HZ3 LYS 112 HZ3 LYS 112 -3.257 -4.176 -14.838 907 H ASP 113 H ASP 113 3.065 -8.360 -16.777 908 HA ASP 113 HA ASP 113 1.654 -8.423 -19.307 909 HB2 ASP 113 HB2 ASP 113 4.466 -9.038 -18.423 910 HB3 ASP 113 HB3 ASP 113 3.904 -9.424 -20.036 911 H ALA 114 H ALA 114 2.780 -10.635 -16.807 912 HA ALA 114 HA ALA 114 2.550 -12.841 -16.412 913 HB1 ALA 114 HB1 ALA 114 0.197 -12.128 -16.284 914 HB2 ALA 114 HB2 ALA 114 0.371 -13.810 -16.789 915 HB3 ALA 114 HB3 ALA 114 -0.010 -12.565 -17.979 916 H ASP 115 H ASP 115 4.336 -13.519 -17.542 917 HA ASP 115 HA ASP 115 3.794 -14.847 -20.116 918 HB2 ASP 115 HB2 ASP 115 5.398 -12.971 -20.284 919 HB3 ASP 115 HB3 ASP 115 6.441 -13.767 -19.114 920 H1 GLY 519 H1 GLY 519 8.417 26.789 20.456 921 H2 GLY 519 H2 GLY 519 8.377 25.103 20.582 922 H3 GLY 519 H3 GLY 519 9.718 25.962 21.155 923 HA2 GLY 519 HA2 GLY 519 8.357 27.017 22.852 924 HA3 GLY 519 HA3 GLY 519 6.965 26.123 22.258 925 H SER 520 H SER 520 6.577 24.129 23.021 926 HA SER 520 HA SER 520 8.675 22.787 24.588 927 HB2 SER 520 HB2 SER 520 7.223 23.817 26.218 928 HB3 SER 520 HB3 SER 520 5.786 23.209 25.395 929 HG SER 520 HG SER 520 7.505 21.208 26.032 930 HA PRO 521 HA PRO 521 7.380 19.342 21.968 931 HB2 PRO 521 HB2 PRO 521 8.929 17.400 23.068 932 HB3 PRO 521 HB3 PRO 521 9.576 18.650 22.010 933 HG2 PRO 521 HG2 PRO 521 9.633 18.510 24.924 934 HG3 PRO 521 HG3 PRO 521 10.822 18.967 23.902 935 HD2 PRO 521 HD2 PRO 521 9.395 20.688 25.205 936 HD3 PRO 521 HD3 PRO 521 10.057 21.037 23.753 937 H GLY 522 H GLY 522 5.922 17.668 22.032 938 HA2 GLY 522 HA2 GLY 522 5.042 16.670 24.655 939 HA3 GLY 522 HA3 GLY 522 3.855 17.397 23.584 940 H TYR 523 H TYR 523 3.336 14.929 24.388 941 HA TYR 523 HA TYR 523 4.198 13.100 22.256 942 HB2 TYR 523 HB2 TYR 523 4.500 12.391 24.648 943 HB3 TYR 523 HB3 TYR 523 2.750 12.405 24.822 944 HD1 TYR 523 HD1 TYR 523 5.567 10.746 23.078 945 HD2 TYR 523 HD2 TYR 523 1.432 10.569 24.076 946 HE1 TYR 523 HE1 TYR 523 5.476 8.427 22.268 947 HE2 TYR 523 HE2 TYR 523 1.334 8.247 23.273 948 HH TYR 523 HH TYR 523 4.105 6.413 22.596 949 HA PRO 524 HA PRO 524 -0.026 13.905 20.601 950 HB2 PRO 524 HB2 PRO 524 0.310 12.579 18.255 951 HB3 PRO 524 HB3 PRO 524 0.867 14.238 18.503 952 HG2 PRO 524 HG2 PRO 524 2.448 11.761 18.667 953 HG3 PRO 524 HG3 PRO 524 2.835 13.154 17.906 954 HD2 PRO 524 HD2 PRO 524 3.812 12.711 20.300 955 HD3 PRO 524 HD3 PRO 524 3.359 14.230 19.906 956 H ASN 525 H ASN 525 -1.804 12.711 20.901 957 HA ASN 525 HA ASN 525 -1.529 9.781 21.097 958 HB2 ASN 525 HB2 ASN 525 -3.129 11.714 22.758 959 HB3 ASN 525 HB3 ASN 525 -3.614 10.027 22.634 960 HD21 ASN 525 HD21 ASN 525 -2.190 12.023 24.640 961 HD22 ASN 525 HD22 ASN 525 -1.006 10.998 25.367 962 H GLY 526 H GLY 526 -2.858 8.536 19.923 963 HA2 GLY 526 HA2 GLY 526 -5.290 9.660 18.754 964 HA3 GLY 526 HA3 GLY 526 -4.049 9.116 17.638 965 H LEU 527 H LEU 527 -5.880 7.989 20.463 966 HA LEU 527 HA LEU 527 -6.116 5.367 19.171 967 HB2 LEU 527 HB2 LEU 527 -5.761 5.913 22.114 968 HB3 LEU 527 HB3 LEU 527 -6.215 4.360 21.476 969 HG LEU 527 HG LEU 527 -3.574 5.733 20.923 970 HD11 LEU 527 HD11 LEU 527 -3.749 5.206 23.267 971 HD12 LEU 527 HD12 LEU 527 -2.585 4.144 22.477 972 HD13 LEU 527 HD13 LEU 527 -4.193 3.545 22.884 973 HD21 LEU 527 HD21 LEU 527 -2.862 3.431 20.237 974 HD22 LEU 527 HD22 LEU 527 -4.024 4.208 19.163 975 HD23 LEU 527 HD23 LEU 527 -4.566 2.963 20.288 976 H LEU 528 H LEU 528 -7.954 7.408 18.744 977 HA LEU 528 HA LEU 528 -10.170 7.207 20.546 978 HB2 LEU 528 HB2 LEU 528 -9.872 8.489 17.827 979 HB3 LEU 528 HB3 LEU 528 -11.339 8.585 18.773 980 HG LEU 528 HG LEU 528 -8.662 9.688 19.650 981 HD11 LEU 528 HD11 LEU 528 -11.059 11.111 18.497 982 HD12 LEU 528 HD12 LEU 528 -9.464 10.960 17.757 983 HD13 LEU 528 HD13 LEU 528 -9.665 11.901 19.234 984 HD21 LEU 528 HD21 LEU 528 -10.084 9.071 21.516 985 HD22 LEU 528 HD22 LEU 528 -11.425 9.980 20.819 986 HD23 LEU 528 HD23 LEU 528 -9.981 10.827 21.375 987 H SER 529 H SER 529 -9.049 5.118 18.257 988 HA SER 529 HA SER 529 -11.557 3.661 18.168 989 HB2 SER 529 HB2 SER 529 -11.699 5.029 16.132 990 HB3 SER 529 HB3 SER 529 -10.136 4.416 15.599 991 HG SER 529 HG SER 529 -12.478 3.371 15.116 992 H GLY 530 H GLY 530 -8.495 3.419 16.305 993 HA2 GLY 530 HA2 GLY 530 -7.475 1.322 17.974 994 HA3 GLY 530 HA3 GLY 530 -8.065 0.748 16.431 995 H ASP 531 H ASP 531 -6.941 1.068 14.670 996 HA ASP 531 HA ASP 531 -4.647 2.814 14.541 997 HB2 ASP 531 HB2 ASP 531 -4.369 -0.189 14.507 998 HB3 ASP 531 HB3 ASP 531 -3.157 0.869 13.800 999 H GLU 532 H GLU 532 -6.907 0.701 13.062 1000 HA GLU 532 HA GLU 532 -5.927 1.197 10.373 1001 HB2 GLU 532 HB2 GLU 532 -8.077 -0.634 11.403 1002 HB3 GLU 532 HB3 GLU 532 -7.582 -0.511 9.737 1003 HG2 GLU 532 HG2 GLU 532 -5.355 -1.290 10.348 1004 HG3 GLU 532 HG3 GLU 532 -5.858 -1.400 12.031 1005 H ASP 533 H ASP 533 -7.758 2.824 12.359 1006 HA ASP 533 HA ASP 533 -9.990 3.460 10.592 1007 HB2 ASP 533 HB2 ASP 533 -9.313 4.379 13.398 1008 HB3 ASP 533 HB3 ASP 533 -10.748 4.879 12.514 1009 H PHE 534 H PHE 534 -6.840 4.544 11.126 1010 HA PHE 534 HA PHE 534 -7.405 7.319 10.414 1011 HB2 PHE 534 HB2 PHE 534 -4.832 5.982 11.276 1012 HB3 PHE 534 HB3 PHE 534 -4.967 7.685 10.857 1013 HD1 PHE 534 HD1 PHE 534 -5.563 5.157 13.391 1014 HD2 PHE 534 HD2 PHE 534 -6.246 9.218 12.306 1015 HE1 PHE 534 HE1 PHE 534 -6.154 5.677 15.722 1016 HE2 PHE 534 HE2 PHE 534 -6.841 9.743 14.636 1017 HZ PHE 534 HZ PHE 534 -6.795 7.971 16.346 1018 H SER 535 H SER 535 -6.397 4.421 8.949 1019 HA SER 535 HA SER 535 -5.060 5.694 6.714 1020 HB2 SER 535 HB2 SER 535 -4.749 3.415 5.861 1021 HB3 SER 535 HB3 SER 535 -4.197 3.545 7.525 1022 HG SER 535 HG SER 535 -6.443 2.755 8.013 1023 H SER 536 H SER 536 -8.237 5.052 7.578 1024 HA SER 536 HA SER 536 -9.272 4.680 4.895 1025 HB2 SER 536 HB2 SER 536 -11.481 4.692 5.966 1026 HB3 SER 536 HB3 SER 536 -10.388 3.601 6.813 1027 HG SER 536 HG SER 536 -11.750 5.208 8.058 1028 H ILE 537 H ILE 537 -8.973 7.259 7.267 1029 HA ILE 537 HA ILE 537 -10.209 9.202 5.501 1030 HB ILE 537 HB ILE 537 -9.770 10.843 7.299 1031 HG12 ILE 537 HG12 ILE 537 -8.631 8.533 8.897 1032 HG13 ILE 537 HG13 ILE 537 -7.653 9.764 8.115 1033 HG21 ILE 537 HG21 ILE 537 -11.877 9.660 7.421 1034 HG22 ILE 537 HG22 ILE 537 -11.251 9.921 9.048 1035 HG23 ILE 537 HG23 ILE 537 -11.118 8.330 8.297 1036 HD11 ILE 537 HD11 ILE 537 -9.452 10.014 10.492 1037 HD12 ILE 537 HD12 ILE 537 -9.017 11.432 9.543 1038 HD13 ILE 537 HD13 ILE 537 -7.754 10.473 10.327 1039 H ALA 538 H ALA 538 -7.039 8.052 6.303 1040 HA ALA 538 HA ALA 538 -5.738 10.290 5.030 1041 HB1 ALA 538 HB1 ALA 538 -4.752 9.118 6.994 1042 HB2 ALA 538 HB2 ALA 538 -3.667 9.270 5.615 1043 HB3 ALA 538 HB3 ALA 538 -4.461 7.731 5.946 1044 H ASP 539 H ASP 539 -7.498 7.959 3.828 1045 HA ASP 539 HA ASP 539 -5.910 7.343 1.459 1046 HB2 ASP 539 HB2 ASP 539 -7.218 5.487 2.034 1047 HB3 ASP 539 HB3 ASP 539 -8.593 6.476 2.509 1048 H MET 540 H MET 540 -8.524 9.406 2.540 1049 HA MET 540 HA MET 540 -9.016 10.660 0.019 1050 HB2 MET 540 HB2 MET 540 -9.590 11.563 2.843 1051 HB3 MET 540 HB3 MET 540 -10.134 12.402 1.393 1052 HG2 MET 540 HG2 MET 540 -10.874 9.596 2.200 1053 HG3 MET 540 HG3 MET 540 -11.909 11.017 2.299 1054 HE1 MET 540 HE1 MET 540 -11.658 12.575 -0.327 1055 HE2 MET 540 HE2 MET 540 -13.180 12.056 0.390 1056 HE3 MET 540 HE3 MET 540 -12.870 11.767 -1.323 1057 H ASP 541 H ASP 541 -6.579 10.858 2.374 1058 HA ASP 541 HA ASP 541 -5.693 13.512 1.879 1059 HB2 ASP 541 HB2 ASP 541 -4.696 11.170 3.425 1060 HB3 ASP 541 HB3 ASP 541 -3.621 12.513 3.138 1061 H PHE 542 H PHE 542 -5.001 10.363 0.504 1062 HA PHE 542 HA PHE 542 -2.379 11.111 -0.451 1063 HB2 PHE 542 HB2 PHE 542 -3.532 8.725 0.239 1064 HB3 PHE 542 HB3 PHE 542 -3.521 8.630 -1.518 1065 HD1 PHE 542 HD1 PHE 542 -1.770 7.607 1.193 1066 HD2 PHE 542 HD2 PHE 542 -1.146 9.725 -2.446 1067 HE1 PHE 542 HE1 PHE 542 0.604 6.970 1.226 1068 HE2 PHE 542 HE2 PHE 542 1.225 9.092 -2.399 1069 HZ PHE 542 HZ PHE 542 2.094 7.707 -0.581 1070 H SER 543 H SER 543 -5.590 11.051 -1.795 1071 HA SER 543 HA SER 543 -4.711 10.972 -4.546 1072 HB2 SER 543 HB2 SER 543 -7.118 11.292 -5.071 1073 HB3 SER 543 HB3 SER 543 -6.835 9.951 -3.964 1074 HG SER 543 HG SER 543 -8.268 12.224 -3.587 1075 H ALA 544 H ALA 544 -5.111 13.412 -2.196 1076 HA ALA 544 HA ALA 544 -5.467 15.559 -4.132 1077 HB1 ALA 544 HB1 ALA 544 -5.604 17.026 -2.196 1078 HB2 ALA 544 HB2 ALA 544 -5.148 15.693 -1.136 1079 HB3 ALA 544 HB3 ALA 544 -6.682 15.643 -2.004 1080 H LEU 545 H LEU 545 -2.873 13.848 -2.783 1081 HA LEU 545 HA LEU 545 -1.001 16.049 -2.729 1082 HB2 LEU 545 HB2 LEU 545 -0.637 13.099 -2.273 1083 HB3 LEU 545 HB3 LEU 545 0.615 14.292 -2.088 1084 HG LEU 545 HG LEU 545 -1.896 14.219 -0.437 1085 HD11 LEU 545 HD11 LEU 545 -0.470 12.269 -0.035 1086 HD12 LEU 545 HD12 LEU 545 -0.511 13.356 1.348 1087 HD13 LEU 545 HD13 LEU 545 0.890 13.346 0.278 1088 HD21 LEU 545 HD21 LEU 545 -0.994 16.458 -0.518 1089 HD22 LEU 545 HD22 LEU 545 0.626 15.855 -0.180 1090 HD23 LEU 545 HD23 LEU 545 -0.627 15.751 1.055 1091 H LEU 546 H LEU 546 -1.704 13.258 -4.805 1092 HA LEU 546 HA LEU 546 0.681 13.599 -6.400 1093 HB2 LEU 546 HB2 LEU 546 -1.771 11.897 -6.831 1094 HB3 LEU 546 HB3 LEU 546 -0.373 11.870 -7.874 1095 HG LEU 546 HG LEU 546 -0.442 11.057 -4.971 1096 HD11 LEU 546 HD11 LEU 546 -0.033 8.809 -5.848 1097 HD12 LEU 546 HD12 LEU 546 -0.137 9.431 -7.494 1098 HD13 LEU 546 HD13 LEU 546 -1.555 9.466 -6.446 1099 HD21 LEU 546 HD21 LEU 546 1.822 10.945 -6.965 1100 HD22 LEU 546 HD22 LEU 546 1.864 10.293 -5.327 1101 HD23 LEU 546 HD23 LEU 546 1.721 12.031 -5.583 1102 H SER 547 H SER 547 -2.607 14.650 -6.509 1103 HA SER 547 HA SER 547 -2.269 15.829 -9.173 1104 HB2 SER 547 HB2 SER 547 -4.687 16.288 -9.082 1105 HB3 SER 547 HB3 SER 547 -4.353 14.585 -8.773 1106 HG SER 547 HG SER 547 -4.318 15.768 -6.435 1107 H GLN 548 H GLN 548 -3.213 16.822 -5.869 1108 HA GLN 548 HA GLN 548 -3.225 18.799 -4.768 1109 HB2 GLN 548 HB2 GLN 548 -0.698 18.946 -6.357 1110 HB3 GLN 548 HB3 GLN 548 -1.204 20.353 -5.436 1111 HG2 GLN 548 HG2 GLN 548 -1.231 19.020 -3.396 1112 HG3 GLN 548 HG3 GLN 548 -0.726 17.595 -4.304 1113 HE21 GLN 548 HE21 GLN 548 1.377 17.214 -4.442 1114 HE22 GLN 548 HE22 GLN 548 2.636 18.343 -4.088 1115 H ILE 549 H ILE 549 -5.027 19.874 -5.214 1116 HA ILE 549 HA ILE 549 -4.932 21.885 -7.352 1117 HB ILE 549 HB ILE 549 -7.368 20.297 -6.521 1118 HG12 ILE 549 HG12 ILE 549 -6.078 20.417 -9.263 1119 HG13 ILE 549 HG13 ILE 549 -5.708 19.162 -8.088 1120 HG21 ILE 549 HG21 ILE 549 -8.563 21.590 -8.250 1121 HG22 ILE 549 HG22 ILE 549 -7.123 22.583 -8.475 1122 HG23 ILE 549 HG23 ILE 549 -7.975 22.602 -6.930 1123 HD11 ILE 549 HD11 ILE 549 -7.317 18.394 -9.742 1124 HD12 ILE 549 HD12 ILE 549 -8.416 19.700 -9.299 1125 HD13 ILE 549 HD13 ILE 549 -8.039 18.433 -8.133 1126 H SER 550 H SER 550 -5.471 23.908 -6.835 1127 HA SER 550 HA SER 550 -6.184 24.461 -4.040 1128 HB2 SER 550 HB2 SER 550 -4.115 25.509 -4.739 1129 HB3 SER 550 HB3 SER 550 -4.898 26.208 -6.155 1130 HG SER 550 HG SER 550 -5.646 26.793 -3.481 1131 H SER 551 H SER 551 -7.998 25.538 -3.486 1132 HA SER 551 HA SER 551 -9.823 26.336 -5.656 1133 HB2 SER 551 HB2 SER 551 -10.680 24.437 -4.367 1134 HB3 SER 551 HB3 SER 551 -10.508 25.354 -2.872 1135 HG SER 551 HG SER 551 -12.004 26.535 -4.891 Start of MODEL 2 1 H2 PRO 1 H2 PRO 1 19.748 2.346 -6.769 2 H3 PRO 1 H1 PRO 1 20.857 1.299 -6.187 3 HA PRO 1 HA PRO 1 18.133 0.937 -6.794 4 HB2 PRO 1 HB2 PRO 1 19.802 -1.521 -7.126 5 HB3 PRO 1 HB3 PRO 1 18.207 -1.136 -7.808 6 HG2 PRO 1 HG2 PRO 1 20.474 -0.848 -9.199 7 HG3 PRO 1 HG3 PRO 1 19.154 0.073 -9.476 8 HD2 PRO 1 HD2 PRO 1 21.592 0.878 -8.293 9 HD3 PRO 1 HD3 PRO 1 20.426 1.839 -8.913 10 H SER 2 H SER 2 17.202 0.358 -4.928 11 HA SER 2 HA SER 2 18.765 -1.029 -2.888 12 HB2 SER 2 HB2 SER 2 18.906 1.330 -2.269 13 HB3 SER 2 HB3 SER 2 17.156 1.496 -2.400 14 HG SER 2 HG SER 2 17.417 -0.445 -0.758 15 H HIS 3 H HIS 3 17.721 -2.856 -2.631 16 HA HIS 3 HA HIS 3 14.841 -3.105 -2.851 17 HB2 HIS 3 HB2 HIS 3 16.971 -5.096 -2.072 18 HB3 HIS 3 HB3 HIS 3 15.297 -5.494 -2.293 19 HD1 HIS 3 HD1 HIS 3 17.012 -7.084 -4.019 20 HD2 HIS 3 HD2 HIS 3 15.855 -3.247 -5.123 21 HE1 HIS 3 HE1 HIS 3 17.276 -6.996 -6.518 22 HE2 HIS 3 HE2 HIS 3 16.598 -4.657 -7.161 23 H SER 4 H SER 4 16.864 -2.016 -0.486 24 HA SER 4 HA SER 4 14.901 -2.485 1.612 25 HB2 SER 4 HB2 SER 4 16.489 -3.347 3.220 26 HB3 SER 4 HB3 SER 4 16.507 -4.389 1.797 27 HG SER 4 HG SER 4 18.609 -3.712 2.728 28 H GLY 5 H GLY 5 14.902 -0.991 3.234 29 HA2 GLY 5 HA2 GLY 5 16.956 1.054 3.369 30 HA3 GLY 5 HA3 GLY 5 15.381 1.603 2.826 31 H ALA 6 H ALA 6 14.202 2.475 4.368 32 HA ALA 6 HA ALA 6 13.901 1.089 6.917 33 HB1 ALA 6 HB1 ALA 6 14.605 4.022 6.783 34 HB2 ALA 6 HB2 ALA 6 15.656 2.725 7.360 35 HB3 ALA 6 HB3 ALA 6 14.178 3.113 8.237 36 H ALA 7 H ALA 7 11.787 0.999 7.461 37 HA ALA 7 HA ALA 7 9.944 3.059 6.498 38 HB1 ALA 7 HB1 ALA 7 8.400 1.393 5.588 39 HB2 ALA 7 HB2 ALA 7 9.587 0.133 5.905 40 HB3 ALA 7 HB3 ALA 7 9.943 1.405 4.737 41 H ILE 8 H ILE 8 7.961 3.181 7.599 42 HA ILE 8 HA ILE 8 7.778 1.651 10.118 43 HB ILE 8 HB ILE 8 6.608 4.377 9.468 44 HG12 ILE 8 HG12 ILE 8 8.724 3.728 11.519 45 HG13 ILE 8 HG13 ILE 8 9.110 4.222 9.885 46 HG21 ILE 8 HG21 ILE 8 5.885 4.480 11.803 47 HG22 ILE 8 HG22 ILE 8 6.487 2.845 12.071 48 HG23 ILE 8 HG23 ILE 8 5.134 3.119 10.973 49 HD11 ILE 8 HD11 ILE 8 9.249 6.036 11.554 50 HD12 ILE 8 HD12 ILE 8 7.512 5.871 11.826 51 HD13 ILE 8 HD13 ILE 8 8.116 6.371 10.246 52 H PHE 9 H PHE 9 5.947 0.516 10.557 53 HA PHE 9 HA PHE 9 3.628 0.714 8.785 54 HB2 PHE 9 HB2 PHE 9 5.123 -1.029 7.824 55 HB3 PHE 9 HB3 PHE 9 5.046 -1.914 9.334 56 HD1 PHE 9 HD1 PHE 9 3.055 -0.767 6.429 57 HD2 PHE 9 HD2 PHE 9 3.243 -3.373 9.791 58 HE1 PHE 9 HE1 PHE 9 1.083 -1.972 5.601 59 HE2 PHE 9 HE2 PHE 9 1.270 -4.586 8.966 60 HZ PHE 9 HZ PHE 9 0.183 -3.885 6.868 61 H GLU 10 H GLU 10 1.909 0.886 10.011 62 HA GLU 10 HA GLU 10 0.445 0.841 11.735 63 HB2 GLU 10 HB2 GLU 10 1.842 -1.742 12.436 64 HB3 GLU 10 HB3 GLU 10 0.349 -1.188 13.175 65 HG2 GLU 10 HG2 GLU 10 -0.801 -1.318 11.077 66 HG3 GLU 10 HG3 GLU 10 0.696 -1.704 10.230 67 H LYS 11 H LYS 11 2.677 2.415 12.048 68 HA LYS 11 HA LYS 11 3.514 3.904 13.534 69 HB2 LYS 11 HB2 LYS 11 1.764 2.475 15.534 70 HB3 LYS 11 HB3 LYS 11 2.701 3.917 15.903 71 HG2 LYS 11 HG2 LYS 11 1.465 5.147 14.177 72 HG3 LYS 11 HG3 LYS 11 0.516 3.711 13.831 73 HD2 LYS 11 HD2 LYS 11 -0.347 3.746 16.125 74 HD3 LYS 11 HD3 LYS 11 0.589 5.202 16.458 75 HE2 LYS 11 HE2 LYS 11 -0.673 6.388 14.707 76 HE3 LYS 11 HE3 LYS 11 -1.615 4.928 14.422 77 HZ1 LYS 11 HZ1 LYS 11 -2.798 6.478 15.848 78 HZ2 LYS 11 HZ2 LYS 11 -1.529 6.459 16.966 79 HZ3 LYS 11 HZ3 LYS 11 -2.437 5.058 16.694 80 H VAL 12 H VAL 12 4.145 0.614 13.800 81 HA VAL 12 HA VAL 12 6.347 0.988 15.684 82 HB VAL 12 HB VAL 12 5.377 -1.527 14.294 83 HG11 VAL 12 HG11 VAL 12 7.699 -1.811 14.655 84 HG12 VAL 12 HG12 VAL 12 6.838 -2.745 15.874 85 HG13 VAL 12 HG13 VAL 12 7.573 -1.203 16.305 86 HG21 VAL 12 HG21 VAL 12 3.793 -0.818 15.981 87 HG22 VAL 12 HG22 VAL 12 5.086 -0.699 17.177 88 HG23 VAL 12 HG23 VAL 12 4.642 -2.273 16.513 89 H SER 13 H SER 13 8.294 1.581 15.009 90 HA SER 13 HA SER 13 8.777 1.883 12.188 91 HB2 SER 13 HB2 SER 13 9.446 3.692 13.675 92 HB3 SER 13 HB3 SER 13 10.505 2.595 14.564 93 HG SER 13 HG SER 13 11.447 2.291 12.295 94 H GLY 14 H GLY 14 10.146 0.844 10.907 95 HA2 GLY 14 HA2 GLY 14 11.914 -1.199 11.991 96 HA3 GLY 14 HA3 GLY 14 10.575 -1.775 11.021 97 H ILE 15 H ILE 15 12.160 -2.680 9.658 98 HA ILE 15 HA ILE 15 13.286 -0.753 7.732 99 HB ILE 15 HB ILE 15 14.546 -3.252 8.876 100 HG12 ILE 15 HG12 ILE 15 15.790 -0.510 8.616 101 HG13 ILE 15 HG13 ILE 15 14.873 -1.019 10.017 102 HG21 ILE 15 HG21 ILE 15 16.427 -2.995 7.287 103 HG22 ILE 15 HG22 ILE 15 15.472 -1.807 6.399 104 HG23 ILE 15 HG23 ILE 15 14.912 -3.476 6.523 105 HD11 ILE 15 HD11 ILE 15 17.501 -2.122 9.068 106 HD12 ILE 15 HD12 ILE 15 16.540 -2.842 10.361 107 HD13 ILE 15 HD13 ILE 15 17.176 -1.207 10.540 108 H ILE 16 H ILE 16 12.927 -1.214 5.589 109 HA ILE 16 HA ILE 16 11.126 -3.455 5.027 110 HB ILE 16 HB ILE 16 10.433 -1.054 4.573 111 HG12 ILE 16 HG12 ILE 16 9.825 -2.018 2.007 112 HG13 ILE 16 HG13 ILE 16 10.049 -3.447 3.000 113 HG21 ILE 16 HG21 ILE 16 11.874 -1.157 1.958 114 HG22 ILE 16 HG22 ILE 16 12.706 -0.532 3.388 115 HG23 ILE 16 HG23 ILE 16 11.214 0.235 2.835 116 HD11 ILE 16 HD11 ILE 16 8.044 -1.238 3.360 117 HD12 ILE 16 HD12 ILE 16 8.413 -2.400 4.630 118 HD13 ILE 16 HD13 ILE 16 7.754 -2.960 3.099 119 H ALA 17 H ALA 17 11.594 -5.026 3.561 120 HA ALA 17 HA ALA 17 14.028 -4.794 1.929 121 HB1 ALA 17 HB1 ALA 17 14.733 -7.056 2.524 122 HB2 ALA 17 HB2 ALA 17 13.374 -7.196 3.639 123 HB3 ALA 17 HB3 ALA 17 14.656 -6.024 3.953 124 H ILE 18 H ILE 18 13.995 -5.931 -0.035 125 HA ILE 18 HA ILE 18 11.351 -6.973 -0.789 126 HB ILE 18 HB ILE 18 13.545 -5.923 -2.588 127 HG12 ILE 18 HG12 ILE 18 10.780 -4.838 -2.111 128 HG13 ILE 18 HG13 ILE 18 12.191 -4.249 -1.259 129 HG21 ILE 18 HG21 ILE 18 12.329 -7.799 -3.620 130 HG22 ILE 18 HG22 ILE 18 12.089 -6.273 -4.465 131 HG23 ILE 18 HG23 ILE 18 10.822 -6.907 -3.412 132 HD11 ILE 18 HD11 ILE 18 13.124 -3.669 -3.541 133 HD12 ILE 18 HD12 ILE 18 11.759 -2.707 -2.972 134 HD13 ILE 18 HD13 ILE 18 11.500 -3.980 -4.171 135 H ASN 19 H ASN 19 11.067 -8.990 -1.282 136 HA ASN 19 HA ASN 19 13.295 -10.868 -1.419 137 HB2 ASN 19 HB2 ASN 19 10.302 -11.314 -1.099 138 HB3 ASN 19 HB3 ASN 19 11.516 -12.581 -1.111 139 HD21 ASN 19 HD21 ASN 19 9.838 -12.386 0.983 140 HD22 ASN 19 HD22 ASN 19 10.682 -11.838 2.387 141 H GLU 20 H GLU 20 14.076 -10.961 -3.459 142 HA GLU 20 HA GLU 20 12.205 -11.776 -5.583 143 HB2 GLU 20 HB2 GLU 20 14.701 -10.091 -5.857 144 HB3 GLU 20 HB3 GLU 20 13.894 -10.832 -7.225 145 HG2 GLU 20 HG2 GLU 20 11.877 -9.512 -6.698 146 HG3 GLU 20 HG3 GLU 20 12.745 -8.755 -5.372 147 H ASP 21 H ASP 21 13.475 -13.065 -7.370 148 HA ASP 21 HA ASP 21 14.467 -15.035 -7.930 149 HB2 ASP 21 HB2 ASP 21 16.239 -14.533 -5.556 150 HB3 ASP 21 HB3 ASP 21 16.472 -15.819 -6.723 151 H VAL 22 H VAL 22 12.610 -14.576 -5.440 152 HA VAL 22 HA VAL 22 12.482 -17.326 -4.456 153 HB VAL 22 HB VAL 22 10.816 -16.391 -2.798 154 HG11 VAL 22 HG11 VAL 22 12.505 -15.326 -1.379 155 HG12 VAL 22 HG12 VAL 22 13.568 -15.168 -2.777 156 HG13 VAL 22 HG13 VAL 22 13.129 -16.770 -2.179 157 HG21 VAL 22 HG21 VAL 22 10.743 -13.959 -2.408 158 HG22 VAL 22 HG22 VAL 22 10.101 -14.365 -3.998 159 HG23 VAL 22 HG23 VAL 22 11.727 -13.698 -3.849 160 H SER 23 H SER 23 9.903 -17.774 -3.891 161 HA SER 23 HA SER 23 8.483 -17.914 -6.397 162 HB2 SER 23 HB2 SER 23 6.706 -18.943 -5.070 163 HB3 SER 23 HB3 SER 23 8.251 -19.601 -4.547 164 HG SER 23 HG SER 23 6.664 -17.652 -3.253 165 HA PRO 24 HA PRO 24 7.009 -14.498 -7.551 166 HB2 PRO 24 HB2 PRO 24 4.437 -14.099 -6.070 167 HB3 PRO 24 HB3 PRO 24 4.794 -13.854 -7.783 168 HG2 PRO 24 HG2 PRO 24 3.576 -16.018 -7.003 169 HG3 PRO 24 HG3 PRO 24 4.705 -16.110 -8.179 170 HD2 PRO 24 HD2 PRO 24 4.913 -17.005 -5.488 171 HD3 PRO 24 HD3 PRO 24 5.661 -17.609 -6.808 172 H ALA 25 H ALA 25 7.870 -12.601 -7.190 173 HA ALA 25 HA ALA 25 9.173 -12.127 -4.828 174 HB1 ALA 25 HB1 ALA 25 9.839 -9.966 -5.770 175 HB2 ALA 25 HB2 ALA 25 8.620 -10.156 -7.030 176 HB3 ALA 25 HB3 ALA 25 9.978 -11.277 -6.942 177 H GLU 26 H GLU 26 9.084 -10.810 -3.196 178 HA GLU 26 HA GLU 26 6.453 -9.698 -2.595 179 HB2 GLU 26 HB2 GLU 26 8.082 -10.927 -0.428 180 HB3 GLU 26 HB3 GLU 26 6.365 -10.789 -0.559 181 HG2 GLU 26 HG2 GLU 26 6.270 -12.621 -2.125 182 HG3 GLU 26 HG3 GLU 26 8.023 -12.716 -2.144 183 H LEU 27 H LEU 27 6.498 -8.207 -0.666 184 HA LEU 27 HA LEU 27 9.134 -6.993 -0.186 185 HB2 LEU 27 HB2 LEU 27 7.688 -5.377 -1.355 186 HB3 LEU 27 HB3 LEU 27 6.454 -5.589 -0.151 187 HG LEU 27 HG LEU 27 8.148 -4.713 1.551 188 HD11 LEU 27 HD11 LEU 27 10.118 -4.977 0.072 189 HD12 LEU 27 HD12 LEU 27 9.949 -3.363 0.758 190 HD13 LEU 27 HD13 LEU 27 9.495 -3.660 -0.923 191 HD21 LEU 27 HD21 LEU 27 7.594 -2.415 1.032 192 HD22 LEU 27 HD22 LEU 27 6.208 -3.459 0.724 193 HD23 LEU 27 HD23 LEU 27 7.180 -2.860 -0.620 194 H THR 28 H THR 28 9.833 -7.258 1.816 195 HA THR 28 HA THR 28 7.886 -8.147 3.837 196 HB THR 28 HB THR 28 10.793 -8.947 3.527 197 HG1 THR 28 HG1 THR 28 9.312 -10.022 2.123 198 HG21 THR 28 HG21 THR 28 10.277 -8.816 5.902 199 HG22 THR 28 HG22 THR 28 10.344 -10.509 5.407 200 HG23 THR 28 HG23 THR 28 8.780 -9.728 5.649 201 H TRP 29 H TRP 29 7.458 -6.443 5.088 202 HA TRP 29 HA TRP 29 9.556 -4.681 6.030 203 HB2 TRP 29 HB2 TRP 29 7.327 -3.714 5.653 204 HB3 TRP 29 HB3 TRP 29 6.622 -4.848 6.795 205 HD1 TRP 29 HD1 TRP 29 8.707 -1.639 6.668 206 HE1 TRP 29 HE1 TRP 29 8.772 -0.572 9.011 207 HE3 TRP 29 HE3 TRP 29 6.425 -5.366 9.339 208 HZ2 TRP 29 HZ2 TRP 29 7.954 -1.215 11.636 209 HZ3 TRP 29 HZ3 TRP 29 6.115 -5.053 11.760 210 HH2 TRP 29 HH2 TRP 29 6.866 -3.021 12.879 211 H ARG 30 H ARG 30 10.625 -4.868 7.870 212 HA ARG 30 HA ARG 30 9.651 -6.754 9.901 213 HB2 ARG 30 HB2 ARG 30 12.536 -6.210 9.199 214 HB3 ARG 30 HB3 ARG 30 11.962 -7.254 10.483 215 HG2 ARG 30 HG2 ARG 30 10.942 -8.740 8.845 216 HG3 ARG 30 HG3 ARG 30 11.515 -7.693 7.551 217 HD2 ARG 30 HD2 ARG 30 13.032 -9.523 7.754 218 HD3 ARG 30 HD3 ARG 30 13.822 -8.076 8.348 219 HE ARG 30 HE ARG 30 12.602 -9.551 10.454 220 HH11 ARG 30 HH11 ARG 30 15.462 -9.509 8.411 221 HH12 ARG 30 HH12 ARG 30 16.423 -10.401 9.542 222 HH21 ARG 30 HH21 ARG 30 13.883 -10.730 11.915 223 HH22 ARG 30 HH22 ARG 30 15.530 -11.090 11.520 224 H SER 31 H SER 31 10.369 -6.231 12.114 225 HA SER 31 HA SER 31 10.183 -3.444 12.706 226 HB2 SER 31 HB2 SER 31 10.508 -4.157 15.063 227 HB3 SER 31 HB3 SER 31 9.300 -5.136 14.237 228 HG SER 31 HG SER 31 10.839 -6.325 15.536 229 H THR 32 H THR 32 11.948 -2.379 14.201 230 HA THR 32 HA THR 32 14.278 -2.056 12.704 231 HB THR 32 HB THR 32 14.050 -1.479 15.657 232 HG1 THR 32 HG1 THR 32 12.514 -0.521 13.876 233 HG21 THR 32 HG21 THR 32 16.348 -1.410 14.732 234 HG22 THR 32 HG22 THR 32 15.780 0.177 15.260 235 HG23 THR 32 HG23 THR 32 15.809 -0.223 13.543 236 H ASP 33 H ASP 33 13.683 -4.325 15.329 237 HA ASP 33 HA ASP 33 16.354 -5.487 14.951 238 HB2 ASP 33 HB2 ASP 33 14.194 -6.119 16.977 239 HB3 ASP 33 HB3 ASP 33 15.737 -6.960 16.871 240 H GLY 34 H GLY 34 12.951 -6.089 14.437 241 HA2 GLY 34 HA2 GLY 34 12.214 -7.271 12.514 242 HA3 GLY 34 HA3 GLY 34 13.614 -8.318 12.616 243 H ASP 35 H ASP 35 11.967 -7.662 15.586 244 HA ASP 35 HA ASP 35 11.097 -10.323 15.980 245 HB2 ASP 35 HB2 ASP 35 10.043 -9.447 18.009 246 HB3 ASP 35 HB3 ASP 35 11.664 -8.807 17.823 247 H LYS 36 H LYS 36 9.554 -7.442 14.726 248 HA LYS 36 HA LYS 36 7.061 -8.934 14.223 249 HB2 LYS 36 HB2 LYS 36 7.692 -5.971 14.249 250 HB3 LYS 36 HB3 LYS 36 6.203 -6.614 13.586 251 HG2 LYS 36 HG2 LYS 36 5.632 -7.533 15.770 252 HG3 LYS 36 HG3 LYS 36 7.142 -6.885 16.428 253 HD2 LYS 36 HD2 LYS 36 6.030 -4.725 15.136 254 HD3 LYS 36 HD3 LYS 36 4.631 -5.542 15.844 255 HE2 LYS 36 HE2 LYS 36 5.725 -3.803 17.297 256 HE3 LYS 36 HE3 LYS 36 5.519 -5.397 18.022 257 HZ1 LYS 36 HZ1 LYS 36 7.709 -4.483 18.481 258 HZ2 LYS 36 HZ2 LYS 36 8.030 -4.355 16.825 259 HZ3 LYS 36 HZ3 LYS 36 7.833 -5.878 17.532 260 H VAL 37 H VAL 37 6.393 -9.285 12.096 261 HA VAL 37 HA VAL 37 7.952 -8.133 9.928 262 HB VAL 37 HB VAL 37 9.311 -10.038 10.485 263 HG11 VAL 37 HG11 VAL 37 7.729 -11.452 11.645 264 HG12 VAL 37 HG12 VAL 37 8.534 -12.358 10.364 265 HG13 VAL 37 HG13 VAL 37 6.881 -11.787 10.136 266 HG21 VAL 37 HG21 VAL 37 9.628 -10.913 8.372 267 HG22 VAL 37 HG22 VAL 37 8.733 -9.427 8.039 268 HG23 VAL 37 HG23 VAL 37 7.897 -10.978 8.029 269 H HIS 38 H HIS 38 6.785 -7.749 8.158 270 HA HIS 38 HA HIS 38 4.237 -9.170 7.723 271 HB2 HIS 38 HB2 HIS 38 4.787 -6.213 7.329 272 HB3 HIS 38 HB3 HIS 38 3.316 -7.029 6.820 273 HD1 HIS 38 HD1 HIS 38 1.945 -8.186 8.911 274 HD2 HIS 38 HD2 HIS 38 4.658 -5.175 9.836 275 HE1 HIS 38 HE1 HIS 38 1.314 -7.396 11.212 276 HE2 HIS 38 HE2 HIS 38 2.923 -5.526 11.722 277 H THR 39 H THR 39 3.658 -9.494 5.492 278 HA THR 39 HA THR 39 5.865 -9.067 3.586 279 HB THR 39 HB THR 39 4.315 -11.643 3.940 280 HG1 THR 39 HG1 THR 39 6.314 -10.856 5.288 281 HG21 THR 39 HG21 THR 39 5.807 -12.580 2.220 282 HG22 THR 39 HG22 THR 39 6.511 -10.983 1.967 283 HG23 THR 39 HG23 THR 39 4.817 -11.274 1.566 284 H VAL 40 H VAL 40 5.357 -8.665 1.499 285 HA VAL 40 HA VAL 40 2.523 -8.488 0.690 286 HB VAL 40 HB VAL 40 4.673 -6.456 0.023 287 HG11 VAL 40 HG11 VAL 40 2.918 -6.687 -1.728 288 HG12 VAL 40 HG12 VAL 40 2.984 -5.087 -0.979 289 HG13 VAL 40 HG13 VAL 40 1.727 -6.229 -0.509 290 HG21 VAL 40 HG21 VAL 40 2.421 -6.275 1.994 291 HG22 VAL 40 HG22 VAL 40 3.303 -4.876 1.385 292 HG23 VAL 40 HG23 VAL 40 4.152 -6.121 2.305 293 H VAL 41 H VAL 41 2.410 -10.143 -0.825 294 HA VAL 41 HA VAL 41 4.589 -10.655 -2.656 295 HB VAL 41 HB VAL 41 1.783 -11.859 -2.599 296 HG11 VAL 41 HG11 VAL 41 2.804 -12.097 -4.806 297 HG12 VAL 41 HG12 VAL 41 2.751 -13.660 -3.987 298 HG13 VAL 41 HG13 VAL 41 4.267 -12.764 -4.079 299 HG21 VAL 41 HG21 VAL 41 3.017 -12.384 -0.567 300 HG22 VAL 41 HG22 VAL 41 4.408 -12.912 -1.518 301 HG23 VAL 41 HG23 VAL 41 2.896 -13.821 -1.583 302 H LEU 42 H LEU 42 4.818 -9.614 -4.590 303 HA LEU 42 HA LEU 42 2.996 -7.494 -5.160 304 HB2 LEU 42 HB2 LEU 42 5.538 -8.367 -6.494 305 HB3 LEU 42 HB3 LEU 42 4.523 -7.157 -7.229 306 HG LEU 42 HG LEU 42 6.190 -5.933 -6.151 307 HD11 LEU 42 HD11 LEU 42 4.082 -5.946 -4.028 308 HD12 LEU 42 HD12 LEU 42 3.838 -5.216 -5.615 309 HD13 LEU 42 HD13 LEU 42 5.105 -4.611 -4.552 310 HD21 LEU 42 HD21 LEU 42 5.817 -7.585 -3.671 311 HD22 LEU 42 HD22 LEU 42 6.972 -6.272 -3.895 312 HD23 LEU 42 HD23 LEU 42 7.136 -7.762 -4.827 313 H SER 43 H SER 43 3.342 -10.701 -6.442 314 HA SER 43 HA SER 43 1.993 -10.296 -8.923 315 HB2 SER 43 HB2 SER 43 1.812 -12.709 -9.024 316 HB3 SER 43 HB3 SER 43 3.379 -12.299 -8.340 317 HG SER 43 HG SER 43 1.273 -12.696 -6.557 318 H THR 44 H THR 44 0.961 -9.889 -5.834 319 HA THR 44 HA THR 44 -1.878 -10.352 -6.482 320 HB THR 44 HB THR 44 -2.353 -10.575 -4.139 321 HG1 THR 44 HG1 THR 44 -0.057 -9.210 -3.817 322 HG21 THR 44 HG21 THR 44 0.167 -12.119 -4.732 323 HG22 THR 44 HG22 THR 44 -1.471 -12.606 -5.182 324 HG23 THR 44 HG23 THR 44 -1.013 -12.517 -3.480 325 H ILE 45 H ILE 45 0.324 -8.034 -6.592 326 HA ILE 45 HA ILE 45 -1.325 -5.866 -5.455 327 HB ILE 45 HB ILE 45 1.652 -5.937 -6.010 328 HG12 ILE 45 HG12 ILE 45 1.047 -7.280 -4.045 329 HG13 ILE 45 HG13 ILE 45 1.965 -5.861 -3.578 330 HG21 ILE 45 HG21 ILE 45 0.574 -3.674 -6.309 331 HG22 ILE 45 HG22 ILE 45 1.909 -3.760 -5.161 332 HG23 ILE 45 HG23 ILE 45 0.243 -3.703 -4.575 333 HD11 ILE 45 HD11 ILE 45 -1.025 -6.157 -3.311 334 HD12 ILE 45 HD12 ILE 45 -0.057 -4.793 -2.751 335 HD13 ILE 45 HD13 ILE 45 0.142 -6.383 -2.016 336 H ASP 46 H ASP 46 -1.755 -4.045 -6.713 337 HA ASP 46 HA ASP 46 -1.334 -4.410 -9.605 338 HB2 ASP 46 HB2 ASP 46 -3.676 -4.687 -8.873 339 HB3 ASP 46 HB3 ASP 46 -3.663 -3.070 -8.203 340 H LYS 47 H LYS 47 -1.616 -1.914 -7.052 341 HA LYS 47 HA LYS 47 -0.053 -0.105 -8.737 342 HB2 LYS 47 HB2 LYS 47 -2.521 0.548 -7.108 343 HB3 LYS 47 HB3 LYS 47 -1.489 1.754 -7.855 344 HG2 LYS 47 HG2 LYS 47 -1.952 0.770 -10.022 345 HG3 LYS 47 HG3 LYS 47 -3.015 -0.378 -9.249 346 HD2 LYS 47 HD2 LYS 47 -3.519 2.518 -8.785 347 HD3 LYS 47 HD3 LYS 47 -3.953 1.842 -10.353 348 HE2 LYS 47 HE2 LYS 47 -4.867 0.588 -7.780 349 HE3 LYS 47 HE3 LYS 47 -5.754 1.906 -8.534 350 HZ1 LYS 47 HZ1 LYS 47 -5.143 -0.699 -9.823 351 HZ2 LYS 47 HZ2 LYS 47 -5.995 0.578 -10.533 352 HZ3 LYS 47 HZ3 LYS 47 -6.647 -0.233 -9.201 353 H LEU 48 H LEU 48 0.834 1.797 -7.486 354 HA LEU 48 HA LEU 48 1.311 1.389 -4.623 355 HB2 LEU 48 HB2 LEU 48 3.855 2.120 -5.566 356 HB3 LEU 48 HB3 LEU 48 3.411 0.584 -4.874 357 HG LEU 48 HG LEU 48 2.890 -0.243 -7.158 358 HD11 LEU 48 HD11 LEU 48 2.750 1.181 -8.855 359 HD12 LEU 48 HD12 LEU 48 4.482 1.494 -8.674 360 HD13 LEU 48 HD13 LEU 48 3.305 2.513 -7.842 361 HD21 LEU 48 HD21 LEU 48 5.220 -0.447 -7.801 362 HD22 LEU 48 HD22 LEU 48 4.969 -0.755 -6.082 363 HD23 LEU 48 HD23 LEU 48 5.649 0.791 -6.624 364 H GLN 49 H GLN 49 1.294 3.375 -3.597 365 HA GLN 49 HA GLN 49 1.657 5.792 -5.254 366 HB2 GLN 49 HB2 GLN 49 -0.647 5.195 -3.378 367 HB3 GLN 49 HB3 GLN 49 -0.255 6.814 -3.900 368 HG2 GLN 49 HG2 GLN 49 -0.587 6.128 -6.241 369 HG3 GLN 49 HG3 GLN 49 -1.061 4.524 -5.686 370 HE21 GLN 49 HE21 GLN 49 -2.810 5.750 -7.228 371 HE22 GLN 49 HE22 GLN 49 -4.148 6.374 -6.332 372 H ALA 50 H ALA 50 3.283 6.981 -4.461 373 HA ALA 50 HA ALA 50 3.853 6.892 -1.567 374 HB1 ALA 50 HB1 ALA 50 5.551 5.846 -3.006 375 HB2 ALA 50 HB2 ALA 50 6.187 7.216 -2.098 376 HB3 ALA 50 HB3 ALA 50 5.794 7.395 -3.811 377 H THR 51 H THR 51 4.724 8.769 -0.533 378 HA THR 51 HA THR 51 3.365 11.192 -1.210 379 HB THR 51 HB THR 51 4.583 12.191 0.737 380 HG1 THR 51 HG1 THR 51 6.275 11.166 1.489 381 HG21 THR 51 HG21 THR 51 3.569 10.612 2.462 382 HG22 THR 51 HG22 THR 51 3.097 9.577 1.119 383 HG23 THR 51 HG23 THR 51 2.458 11.220 1.234 384 HA PRO 52 HA PRO 52 6.601 13.017 -3.907 385 HB2 PRO 52 HB2 PRO 52 5.103 15.494 -3.284 386 HB3 PRO 52 HB3 PRO 52 5.556 14.822 -4.850 387 HG2 PRO 52 HG2 PRO 52 3.082 14.689 -3.954 388 HG3 PRO 52 HG3 PRO 52 3.709 13.496 -4.877 389 HD2 PRO 52 HD2 PRO 52 3.189 13.446 -2.073 390 HD3 PRO 52 HD3 PRO 52 3.133 12.198 -3.125 391 H ALA 53 H ALA 53 8.178 14.775 -3.706 392 HA ALA 53 HA ALA 53 9.226 15.038 -1.048 393 HB1 ALA 53 HB1 ALA 53 11.085 16.179 -2.089 394 HB2 ALA 53 HB2 ALA 53 10.174 16.355 -3.589 395 HB3 ALA 53 HB3 ALA 53 10.661 14.753 -3.036 396 H SER 54 H SER 54 6.937 16.783 -2.759 397 HA SER 54 HA SER 54 7.369 19.270 -1.283 398 HB2 SER 54 HB2 SER 54 5.600 20.187 -2.661 399 HB3 SER 54 HB3 SER 54 6.791 19.392 -3.680 400 HG SER 54 HG SER 54 4.560 18.897 -4.194 401 H SER 55 H SER 55 5.611 16.368 -1.118 402 HA SER 55 HA SER 55 3.297 17.219 0.266 403 HB2 SER 55 HB2 SER 55 3.228 15.171 -0.920 404 HB3 SER 55 HB3 SER 55 4.583 14.516 -0.000 405 HG SER 55 HG SER 55 1.981 15.145 0.940 406 H GLU 56 H GLU 56 2.800 17.369 2.343 407 HA GLU 56 HA GLU 56 4.637 17.754 4.420 408 HB2 GLU 56 HB2 GLU 56 1.765 16.855 4.665 409 HB3 GLU 56 HB3 GLU 56 2.705 17.693 5.887 410 HG2 GLU 56 HG2 GLU 56 1.278 19.283 4.922 411 HG3 GLU 56 HG3 GLU 56 2.885 19.618 4.285 412 H LYS 57 H LYS 57 3.352 14.906 3.091 413 HA LYS 57 HA LYS 57 3.543 13.325 5.496 414 HB2 LYS 57 HB2 LYS 57 2.492 12.761 2.748 415 HB3 LYS 57 HB3 LYS 57 2.458 11.629 4.065 416 HG2 LYS 57 HG2 LYS 57 1.074 13.281 5.311 417 HG3 LYS 57 HG3 LYS 57 0.987 14.216 3.845 418 HD2 LYS 57 HD2 LYS 57 -0.078 12.339 2.710 419 HD3 LYS 57 HD3 LYS 57 -0.004 11.403 4.213 420 HE2 LYS 57 HE2 LYS 57 -1.410 14.027 3.821 421 HE3 LYS 57 HE3 LYS 57 -2.195 12.449 3.908 422 HZ1 LYS 57 HZ1 LYS 57 -2.326 13.585 6.031 423 HZ2 LYS 57 HZ2 LYS 57 -0.642 13.724 6.098 424 HZ3 LYS 57 HZ3 LYS 57 -1.368 12.198 6.171 425 H MET 58 H MET 58 4.692 11.418 5.675 426 HA MET 58 HA MET 58 6.518 10.710 3.475 427 HB2 MET 58 HB2 MET 58 7.022 10.455 6.449 428 HB3 MET 58 HB3 MET 58 8.071 9.816 5.210 429 HG2 MET 58 HG2 MET 58 8.512 12.066 4.389 430 HG3 MET 58 HG3 MET 58 7.419 12.732 5.600 431 HE1 MET 58 HE1 MET 58 8.014 11.378 8.324 432 HE2 MET 58 HE2 MET 58 7.953 13.115 8.040 433 HE3 MET 58 HE3 MET 58 9.315 12.411 8.918 434 H MET 59 H MET 59 5.333 9.121 2.546 435 HA MET 59 HA MET 59 4.767 6.695 3.992 436 HB2 MET 59 HB2 MET 59 2.803 8.134 4.441 437 HB3 MET 59 HB3 MET 59 2.505 8.248 2.729 438 HG2 MET 59 HG2 MET 59 1.550 6.256 2.645 439 HG3 MET 59 HG3 MET 59 2.697 5.505 3.733 440 HE1 MET 59 HE1 MET 59 2.238 6.956 6.621 441 HE2 MET 59 HE2 MET 59 2.255 5.215 6.336 442 HE3 MET 59 HE3 MET 59 0.917 5.943 7.224 443 H LEU 60 H LEU 60 4.223 4.936 2.679 444 HA LEU 60 HA LEU 60 4.310 5.310 -0.226 445 HB2 LEU 60 HB2 LEU 60 6.555 4.688 0.351 446 HB3 LEU 60 HB3 LEU 60 5.995 3.411 1.402 447 HG LEU 60 HG LEU 60 5.140 2.212 -0.626 448 HD11 LEU 60 HD11 LEU 60 5.806 2.880 -2.788 449 HD12 LEU 60 HD12 LEU 60 6.751 4.229 -2.149 450 HD13 LEU 60 HD13 LEU 60 4.991 4.244 -2.022 451 HD21 LEU 60 HD21 LEU 60 8.087 2.844 -0.582 452 HD22 LEU 60 HD22 LEU 60 7.335 1.520 -1.488 453 HD23 LEU 60 HD23 LEU 60 7.269 1.531 0.278 454 H ARG 61 H ARG 61 2.531 4.408 -1.062 455 HA ARG 61 HA ARG 61 1.099 2.426 0.549 456 HB2 ARG 61 HB2 ARG 61 0.072 4.062 -1.758 457 HB3 ARG 61 HB3 ARG 61 -0.882 2.998 -0.753 458 HG2 ARG 61 HG2 ARG 61 0.181 4.665 1.105 459 HG3 ARG 61 HG3 ARG 61 0.007 5.734 -0.277 460 HD2 ARG 61 HD2 ARG 61 -2.237 3.947 0.590 461 HD3 ARG 61 HD3 ARG 61 -1.974 5.505 1.365 462 HE ARG 61 HE ARG 61 -2.030 6.090 -1.299 463 HH11 ARG 61 HH11 ARG 61 -4.285 4.489 0.864 464 HH12 ARG 61 HH12 ARG 61 -5.674 4.941 -0.068 465 HH21 ARG 61 HH21 ARG 61 -3.859 6.670 -2.497 466 HH22 ARG 61 HH22 ARG 61 -5.432 6.173 -1.967 467 H LEU 62 H LEU 62 0.312 0.556 -0.260 468 HA LEU 62 HA LEU 62 1.248 -0.338 -2.902 469 HB2 LEU 62 HB2 LEU 62 1.234 -1.861 -0.293 470 HB3 LEU 62 HB3 LEU 62 1.506 -2.599 -1.852 471 HG LEU 62 HG LEU 62 3.325 -0.779 -0.293 472 HD11 LEU 62 HD11 LEU 62 3.712 -3.510 -1.473 473 HD12 LEU 62 HD12 LEU 62 3.396 -3.138 0.224 474 HD13 LEU 62 HD13 LEU 62 4.898 -2.601 -0.534 475 HD21 LEU 62 HD21 LEU 62 3.280 -0.067 -2.711 476 HD22 LEU 62 HD22 LEU 62 3.883 -1.670 -3.115 477 HD23 LEU 62 HD23 LEU 62 4.849 -0.599 -2.101 478 H ILE 63 H ILE 63 -0.574 -0.391 -4.057 479 HA ILE 63 HA ILE 63 -3.150 -0.957 -2.837 480 HB ILE 63 HB ILE 63 -2.434 -0.209 -5.679 481 HG12 ILE 63 HG12 ILE 63 -3.776 1.535 -3.609 482 HG13 ILE 63 HG13 ILE 63 -2.065 1.607 -3.966 483 HG21 ILE 63 HG21 ILE 63 -4.536 -1.440 -5.641 484 HG22 ILE 63 HG22 ILE 63 -4.793 0.253 -6.063 485 HG23 ILE 63 HG23 ILE 63 -5.174 -0.318 -4.435 486 HD11 ILE 63 HD11 ILE 63 -4.289 2.224 -5.889 487 HD12 ILE 63 HD12 ILE 63 -2.558 2.305 -6.239 488 HD13 ILE 63 HD13 ILE 63 -3.267 3.394 -5.049 489 H GLY 64 H GLY 64 -4.245 -2.807 -3.000 490 HA2 GLY 64 HA2 GLY 64 -2.825 -5.101 -4.063 491 HA3 GLY 64 HA3 GLY 64 -4.207 -5.140 -2.990 492 H LYS 65 H LYS 65 -3.931 -6.825 -5.155 493 HA LYS 65 HA LYS 65 -5.497 -5.871 -7.365 494 HB2 LYS 65 HB2 LYS 65 -3.719 -7.530 -7.671 495 HB3 LYS 65 HB3 LYS 65 -4.615 -8.674 -6.677 496 HG2 LYS 65 HG2 LYS 65 -6.431 -8.674 -8.274 497 HG3 LYS 65 HG3 LYS 65 -5.585 -7.485 -9.264 498 HD2 LYS 65 HD2 LYS 65 -3.772 -9.064 -9.628 499 HD3 LYS 65 HD3 LYS 65 -4.593 -10.256 -8.626 500 HE2 LYS 65 HE2 LYS 65 -6.481 -10.243 -10.214 501 HE3 LYS 65 HE3 LYS 65 -5.625 -9.067 -11.204 502 HZ1 LYS 65 HZ1 LYS 65 -5.396 -11.319 -12.055 503 HZ2 LYS 65 HZ2 LYS 65 -4.691 -11.821 -10.601 504 HZ3 LYS 65 HZ3 LYS 65 -3.895 -10.698 -11.584 505 H VAL 66 H VAL 66 -7.591 -5.773 -7.460 506 HA VAL 66 HA VAL 66 -9.186 -7.079 -5.405 507 HB VAL 66 HB VAL 66 -9.251 -4.651 -5.390 508 HG11 VAL 66 HG11 VAL 66 -10.520 -3.520 -7.285 509 HG12 VAL 66 HG12 VAL 66 -10.075 -4.952 -8.215 510 HG13 VAL 66 HG13 VAL 66 -8.822 -3.935 -7.510 511 HG21 VAL 66 HG21 VAL 66 -11.220 -5.754 -4.589 512 HG22 VAL 66 HG22 VAL 66 -11.863 -5.857 -6.226 513 HG23 VAL 66 HG23 VAL 66 -11.672 -4.282 -5.450 514 H ASP 67 H ASP 67 -10.789 -8.450 -5.868 515 HA ASP 67 HA ASP 67 -11.376 -9.076 -8.660 516 HB2 ASP 67 HB2 ASP 67 -10.967 -10.955 -7.087 517 HB3 ASP 67 HB3 ASP 67 -12.353 -10.442 -6.131 518 H GLU 68 H GLU 68 -12.537 -7.313 -9.313 519 HA GLU 68 HA GLU 68 -14.754 -6.316 -7.744 520 HB2 GLU 68 HB2 GLU 68 -13.464 -5.431 -10.313 521 HB3 GLU 68 HB3 GLU 68 -14.956 -4.704 -9.731 522 HG2 GLU 68 HG2 GLU 68 -13.884 -3.911 -7.749 523 HG3 GLU 68 HG3 GLU 68 -12.407 -4.808 -8.108 524 H SER 69 H SER 69 -14.465 -8.855 -9.815 525 HA SER 69 HA SER 69 -16.966 -8.620 -11.230 526 HB2 SER 69 HB2 SER 69 -16.499 -10.825 -12.085 527 HB3 SER 69 HB3 SER 69 -14.994 -9.906 -12.100 528 HG SER 69 HG SER 69 -14.648 -10.954 -9.954 529 H LYS 70 H LYS 70 -16.001 -9.707 -8.105 530 HA LYS 70 HA LYS 70 -18.340 -11.317 -7.593 531 HB2 LYS 70 HB2 LYS 70 -16.024 -10.380 -5.917 532 HB3 LYS 70 HB3 LYS 70 -17.345 -11.308 -5.244 533 HG2 LYS 70 HG2 LYS 70 -16.822 -13.122 -6.860 534 HG3 LYS 70 HG3 LYS 70 -15.425 -12.196 -7.397 535 HD2 LYS 70 HD2 LYS 70 -14.466 -12.322 -5.140 536 HD3 LYS 70 HD3 LYS 70 -15.873 -13.238 -4.597 537 HE2 LYS 70 HE2 LYS 70 -15.301 -15.069 -6.073 538 HE3 LYS 70 HE3 LYS 70 -13.970 -14.141 -6.764 539 HZ1 LYS 70 HZ1 LYS 70 -14.171 -15.059 -3.943 540 HZ2 LYS 70 HZ2 LYS 70 -12.899 -14.150 -4.588 541 HZ3 LYS 70 HZ3 LYS 70 -13.171 -15.727 -5.136 542 H LYS 71 H LYS 71 -18.589 -8.437 -8.339 543 HA LYS 71 HA LYS 71 -18.978 -6.658 -6.340 544 HB2 LYS 71 HB2 LYS 71 -20.869 -5.793 -8.027 545 HB3 LYS 71 HB3 LYS 71 -19.147 -5.479 -8.193 546 HG2 LYS 71 HG2 LYS 71 -18.944 -7.327 -9.710 547 HG3 LYS 71 HG3 LYS 71 -20.620 -7.738 -9.471 548 HD2 LYS 71 HD2 LYS 71 -20.545 -6.542 -11.515 549 HD3 LYS 71 HD3 LYS 71 -21.203 -5.456 -10.273 550 HE2 LYS 71 HE2 LYS 71 -19.643 -4.096 -11.305 551 HE3 LYS 71 HE3 LYS 71 -18.751 -4.780 -9.948 552 HZ1 LYS 71 HZ1 LYS 71 -18.633 -5.795 -12.731 553 HZ2 LYS 71 HZ2 LYS 71 -17.748 -6.386 -11.416 554 HZ3 LYS 71 HZ3 LYS 71 -17.455 -4.825 -11.999 555 H ARG 72 H ARG 72 -20.444 -6.003 -4.904 556 HA ARG 72 HA ARG 72 -22.620 -7.904 -4.366 557 HB2 ARG 72 HB2 ARG 72 -21.014 -6.056 -2.587 558 HB3 ARG 72 HB3 ARG 72 -22.415 -6.935 -2.013 559 HG2 ARG 72 HG2 ARG 72 -21.198 -9.055 -2.665 560 HG3 ARG 72 HG3 ARG 72 -19.775 -8.054 -2.959 561 HD2 ARG 72 HD2 ARG 72 -19.712 -9.049 -0.729 562 HD3 ARG 72 HD3 ARG 72 -19.828 -7.292 -0.637 563 HE ARG 72 HE ARG 72 -22.034 -9.175 -0.115 564 HH11 ARG 72 HH11 ARG 72 -20.603 -5.993 0.303 565 HH12 ARG 72 HH12 ARG 72 -21.819 -5.469 1.419 566 HH21 ARG 72 HH21 ARG 72 -23.615 -8.462 1.342 567 HH22 ARG 72 HH22 ARG 72 -23.522 -6.866 2.005 568 H LYS 73 H LYS 73 -24.664 -7.086 -3.615 569 HA LYS 73 HA LYS 73 -25.188 -4.240 -4.170 570 HB2 LYS 73 HB2 LYS 73 -27.028 -6.583 -4.718 571 HB3 LYS 73 HB3 LYS 73 -27.503 -4.898 -4.828 572 HG2 LYS 73 HG2 LYS 73 -25.837 -4.542 -6.578 573 HG3 LYS 73 HG3 LYS 73 -25.404 -6.244 -6.484 574 HD2 LYS 73 HD2 LYS 73 -27.674 -6.863 -7.124 575 HD3 LYS 73 HD3 LYS 73 -28.117 -5.158 -7.213 576 HE2 LYS 73 HE2 LYS 73 -26.515 -4.811 -9.008 577 HE3 LYS 73 HE3 LYS 73 -25.983 -6.489 -8.879 578 HZ1 LYS 73 HZ1 LYS 73 -27.507 -6.211 -10.718 579 HZ2 LYS 73 HZ2 LYS 73 -28.693 -5.577 -9.692 580 HZ3 LYS 73 HZ3 LYS 73 -28.214 -7.191 -9.533 581 H ASP 74 H ASP 74 -26.465 -3.169 -2.705 582 HA ASP 74 HA ASP 74 -26.534 -4.317 -0.066 583 HB2 ASP 74 HB2 ASP 74 -27.086 -2.083 0.714 584 HB3 ASP 74 HB3 ASP 74 -25.770 -1.993 -0.447 585 H ASN 75 H ASN 75 -28.712 -3.192 1.194 586 HA ASN 75 HA ASN 75 -30.663 -5.145 0.866 587 HB2 ASN 75 HB2 ASN 75 -30.732 -2.460 2.224 588 HB3 ASN 75 HB3 ASN 75 -32.111 -3.551 2.259 589 HD21 ASN 75 HD21 ASN 75 -30.763 -2.659 4.528 590 HD22 ASN 75 HD22 ASN 75 -29.995 -4.009 5.287 591 H GLU 76 H GLU 76 -30.449 -2.012 -0.697 592 HA GLU 76 HA GLU 76 -33.211 -2.124 -1.609 593 HB2 GLU 76 HB2 GLU 76 -31.069 -0.034 -2.029 594 HB3 GLU 76 HB3 GLU 76 -32.722 0.103 -2.610 595 HG2 GLU 76 HG2 GLU 76 -33.537 0.033 -0.299 596 HG3 GLU 76 HG3 GLU 76 -31.879 -0.109 0.276 597 H GLY 77 H GLY 77 -30.049 -2.857 -2.811 598 HA2 GLY 77 HA2 GLY 77 -29.872 -4.345 -4.703 599 HA3 GLY 77 HA3 GLY 77 -31.239 -3.523 -5.426 600 H ASN 78 H ASN 78 -28.955 -1.445 -3.958 601 HA ASN 78 HA ASN 78 -28.026 -0.492 -6.542 602 HB2 ASN 78 HB2 ASN 78 -27.491 0.513 -3.733 603 HB3 ASN 78 HB3 ASN 78 -26.910 1.294 -5.200 604 HD21 ASN 78 HD21 ASN 78 -29.279 1.302 -2.919 605 HD22 ASN 78 HD22 ASN 78 -30.508 2.153 -3.783 606 H GLU 79 H GLU 79 -25.793 -0.299 -7.104 607 HA GLU 79 HA GLU 79 -24.392 -2.725 -6.519 608 HB2 GLU 79 HB2 GLU 79 -24.441 -1.704 -8.780 609 HB3 GLU 79 HB3 GLU 79 -23.497 -0.350 -8.173 610 HG2 GLU 79 HG2 GLU 79 -21.636 -1.836 -7.712 611 HG3 GLU 79 HG3 GLU 79 -22.597 -3.215 -8.238 612 H VAL 80 H VAL 80 -23.140 -3.056 -4.858 613 HA VAL 80 HA VAL 80 -21.311 -0.923 -4.002 614 HB VAL 80 HB VAL 80 -22.589 -2.949 -2.142 615 HG11 VAL 80 HG11 VAL 80 -21.431 -1.727 -0.351 616 HG12 VAL 80 HG12 VAL 80 -20.629 -0.736 -1.569 617 HG13 VAL 80 HG13 VAL 80 -20.308 -2.467 -1.492 618 HG21 VAL 80 HG21 VAL 80 -24.146 -1.137 -2.775 619 HG22 VAL 80 HG22 VAL 80 -22.972 0.042 -2.182 620 HG23 VAL 80 HG23 VAL 80 -23.715 -1.098 -1.062 621 H VAL 81 H VAL 81 -19.493 -1.524 -4.957 622 HA VAL 81 HA VAL 81 -18.814 -4.354 -5.025 623 HB VAL 81 HB VAL 81 -17.474 -2.181 -6.612 624 HG11 VAL 81 HG11 VAL 81 -16.146 -4.176 -6.550 625 HG12 VAL 81 HG12 VAL 81 -16.860 -4.022 -8.158 626 HG13 VAL 81 HG13 VAL 81 -17.535 -5.169 -7.001 627 HG21 VAL 81 HG21 VAL 81 -18.883 -2.797 -8.529 628 HG22 VAL 81 HG22 VAL 81 -19.815 -2.113 -7.196 629 HG23 VAL 81 HG23 VAL 81 -19.825 -3.853 -7.477 630 HA PRO 82 HA PRO 82 -15.888 -3.827 -1.670 631 HB2 PRO 82 HB2 PRO 82 -14.579 -6.193 -2.937 632 HB3 PRO 82 HB3 PRO 82 -15.066 -5.947 -1.256 633 HG2 PRO 82 HG2 PRO 82 -16.542 -7.440 -2.754 634 HG3 PRO 82 HG3 PRO 82 -17.288 -6.349 -1.796 635 HD2 PRO 82 HD2 PRO 82 -16.786 -6.125 -4.625 636 HD3 PRO 82 HD3 PRO 82 -18.180 -5.797 -3.840 637 H LYS 83 H LYS 83 -14.073 -2.714 -1.405 638 HA LYS 83 HA LYS 83 -12.759 -1.743 -3.809 639 HB2 LYS 83 HB2 LYS 83 -12.632 -0.788 -0.956 640 HB3 LYS 83 HB3 LYS 83 -11.808 -0.010 -2.281 641 HG2 LYS 83 HG2 LYS 83 -14.803 -0.300 -2.046 642 HG3 LYS 83 HG3 LYS 83 -13.887 1.146 -1.646 643 HD2 LYS 83 HD2 LYS 83 -13.124 1.238 -4.003 644 HD3 LYS 83 HD3 LYS 83 -14.169 -0.134 -4.368 645 HE2 LYS 83 HE2 LYS 83 -16.115 1.202 -3.642 646 HE3 LYS 83 HE3 LYS 83 -15.049 2.571 -3.346 647 HZ1 LYS 83 HZ1 LYS 83 -16.135 2.752 -5.492 648 HZ2 LYS 83 HZ2 LYS 83 -15.488 1.268 -5.978 649 HZ3 LYS 83 HZ3 LYS 83 -14.463 2.582 -5.690 650 HA PRO 84 HA PRO 84 -8.882 -3.855 -3.300 651 HB2 PRO 84 HB2 PRO 84 -7.026 -2.035 -4.038 652 HB3 PRO 84 HB3 PRO 84 -8.077 -2.837 -5.202 653 HG2 PRO 84 HG2 PRO 84 -8.342 -0.154 -4.057 654 HG3 PRO 84 HG3 PRO 84 -8.502 -0.610 -5.617 655 HD2 PRO 84 HD2 PRO 84 -10.762 -0.395 -4.100 656 HD3 PRO 84 HD3 PRO 84 -10.694 -1.583 -5.218 657 H GLN 85 H GLN 85 -7.089 -4.102 -1.989 658 HA GLN 85 HA GLN 85 -7.150 -2.519 0.473 659 HB2 GLN 85 HB2 GLN 85 -7.244 -4.969 0.666 660 HB3 GLN 85 HB3 GLN 85 -5.682 -5.094 -0.127 661 HG2 GLN 85 HG2 GLN 85 -4.607 -3.964 1.711 662 HG3 GLN 85 HG3 GLN 85 -6.159 -3.676 2.482 663 HE21 GLN 85 HE21 GLN 85 -6.734 -5.042 4.004 664 HE22 GLN 85 HE22 GLN 85 -6.123 -6.643 4.226 665 H ARG 86 H ARG 86 -5.582 -1.207 1.143 666 HA ARG 86 HA ARG 86 -3.237 -0.863 -0.638 667 HB2 ARG 86 HB2 ARG 86 -4.663 1.350 0.864 668 HB3 ARG 86 HB3 ARG 86 -3.385 1.526 -0.330 669 HG2 ARG 86 HG2 ARG 86 -4.856 0.738 -2.080 670 HG3 ARG 86 HG3 ARG 86 -6.122 0.403 -0.907 671 HD2 ARG 86 HD2 ARG 86 -6.019 2.882 -0.325 672 HD3 ARG 86 HD3 ARG 86 -5.064 3.072 -1.798 673 HE ARG 86 HE ARG 86 -6.951 2.560 -3.074 674 HH11 ARG 86 HH11 ARG 86 -7.737 2.374 0.346 675 HH12 ARG 86 HH12 ARG 86 -9.447 2.382 0.067 676 HH21 ARG 86 HH21 ARG 86 -9.188 2.566 -3.410 677 HH22 ARG 86 HH22 ARG 86 -10.265 2.492 -2.056 678 H HIS 87 H HIS 87 -1.354 -1.215 0.333 679 HA HIS 87 HA HIS 87 -1.171 -1.173 3.264 680 HB2 HIS 87 HB2 HIS 87 0.989 -2.242 1.478 681 HB3 HIS 87 HB3 HIS 87 0.568 -2.726 3.112 682 HD1 HIS 87 HD1 HIS 87 -1.181 -4.572 3.366 683 HD2 HIS 87 HD2 HIS 87 -0.571 -3.398 -0.576 684 HE1 HIS 87 HE1 HIS 87 -2.318 -6.319 1.958 685 HE2 HIS 87 HE2 HIS 87 -2.033 -5.526 -0.415 686 H MET 88 H MET 88 -0.385 0.629 4.162 687 HA MET 88 HA MET 88 1.368 2.382 2.579 688 HB2 MET 88 HB2 MET 88 -0.282 2.974 5.043 689 HB3 MET 88 HB3 MET 88 0.689 4.139 4.180 690 HG2 MET 88 HG2 MET 88 -0.816 4.379 2.493 691 HG3 MET 88 HG3 MET 88 -1.346 2.713 2.619 692 HE1 MET 88 HE1 MET 88 -4.782 3.501 3.664 693 HE2 MET 88 HE2 MET 88 -3.713 2.097 3.635 694 HE3 MET 88 HE3 MET 88 -3.728 3.229 2.275 695 H PHE 89 H PHE 89 3.314 3.096 3.296 696 HA PHE 89 HA PHE 89 4.324 2.125 5.888 697 HB2 PHE 89 HB2 PHE 89 5.815 2.023 3.256 698 HB3 PHE 89 HB3 PHE 89 6.530 1.695 4.817 699 HD1 PHE 89 HD1 PHE 89 4.377 0.419 2.172 700 HD2 PHE 89 HD2 PHE 89 6.077 -0.374 5.985 701 HE1 PHE 89 HE1 PHE 89 3.792 -1.950 1.915 702 HE2 PHE 89 HE2 PHE 89 5.484 -2.749 5.756 703 HZ PHE 89 HZ PHE 89 4.342 -3.542 3.721 704 H SER 90 H SER 90 5.217 3.755 7.054 705 HA SER 90 HA SER 90 5.528 6.371 5.839 706 HB2 SER 90 HB2 SER 90 5.642 5.351 8.644 707 HB3 SER 90 HB3 SER 90 6.204 6.972 8.270 708 HG SER 90 HG SER 90 3.684 6.099 7.384 709 H PHE 91 H PHE 91 7.419 7.606 5.826 710 HA PHE 91 HA PHE 91 9.935 6.067 5.936 711 HB2 PHE 91 HB2 PHE 91 8.760 7.639 3.667 712 HB3 PHE 91 HB3 PHE 91 10.506 7.514 3.820 713 HD1 PHE 91 HD1 PHE 91 7.439 5.385 3.696 714 HD2 PHE 91 HD2 PHE 91 11.601 5.724 2.854 715 HE1 PHE 91 HE1 PHE 91 7.387 3.220 2.524 716 HE2 PHE 91 HE2 PHE 91 11.544 3.557 1.683 717 HZ PHE 91 HZ PHE 91 9.430 2.309 1.518 718 H ASN 92 H ASN 92 11.863 7.623 5.535 719 HA ASN 92 HA ASN 92 11.451 10.156 6.981 720 HB2 ASN 92 HB2 ASN 92 13.836 8.286 7.133 721 HB3 ASN 92 HB3 ASN 92 13.756 9.865 7.897 722 HD21 ASN 92 HD21 ASN 92 13.134 6.555 8.257 723 HD22 ASN 92 HD22 ASN 92 12.264 6.632 9.747 724 H ASN 93 H ASN 93 12.544 8.643 4.130 725 HA ASN 93 HA ASN 93 13.592 11.171 3.088 726 HB2 ASN 93 HB2 ASN 93 15.524 9.724 3.882 727 HB3 ASN 93 HB3 ASN 93 15.077 8.576 2.627 728 HD21 ASN 93 HD21 ASN 93 17.572 9.768 2.755 729 HD22 ASN 93 HD22 ASN 93 17.765 10.816 1.395 730 H ARG 94 H ARG 94 13.256 11.486 0.909 731 HA ARG 94 HA ARG 94 11.265 9.829 -0.355 732 HB2 ARG 94 HB2 ARG 94 12.542 11.995 -1.913 733 HB3 ARG 94 HB3 ARG 94 10.844 11.572 -1.745 734 HG2 ARG 94 HG2 ARG 94 12.391 12.853 0.484 735 HG3 ARG 94 HG3 ARG 94 11.621 13.803 -0.783 736 HD2 ARG 94 HD2 ARG 94 9.460 12.895 -0.191 737 HD3 ARG 94 HD3 ARG 94 10.195 11.832 0.999 738 HE ARG 94 HE ARG 94 10.943 14.359 1.750 739 HH11 ARG 94 HH11 ARG 94 7.855 12.748 1.285 740 HH12 ARG 94 HH12 ARG 94 7.044 13.714 2.472 741 HH21 ARG 94 HH21 ARG 94 9.859 15.607 3.300 742 HH22 ARG 94 HH22 ARG 94 8.178 15.329 3.611 743 H THR 95 H THR 95 14.682 10.010 -0.446 744 HA THR 95 HA THR 95 15.042 9.056 -3.133 745 HB THR 95 HB THR 95 17.424 8.843 -2.540 746 HG1 THR 95 HG1 THR 95 16.440 8.619 -0.059 747 HG21 THR 95 HG21 THR 95 16.215 11.385 -1.427 748 HG22 THR 95 HG22 THR 95 16.608 11.088 -3.121 749 HG23 THR 95 HG23 THR 95 17.896 11.174 -1.919 750 H VAL 96 H VAL 96 14.410 7.566 -0.071 751 HA VAL 96 HA VAL 96 15.273 4.918 -0.894 752 HB VAL 96 HB VAL 96 13.568 5.722 1.496 753 HG11 VAL 96 HG11 VAL 96 13.933 3.527 2.384 754 HG12 VAL 96 HG12 VAL 96 15.010 3.109 1.052 755 HG13 VAL 96 HG13 VAL 96 13.292 3.345 0.751 756 HG21 VAL 96 HG21 VAL 96 16.494 4.992 1.426 757 HG22 VAL 96 HG22 VAL 96 15.554 5.454 2.850 758 HG23 VAL 96 HG23 VAL 96 15.864 6.631 1.570 759 H MET 97 H MET 97 12.064 6.309 -0.037 760 HA MET 97 HA MET 97 10.413 4.279 -0.877 761 HB2 MET 97 HB2 MET 97 8.613 5.873 -1.031 762 HB3 MET 97 HB3 MET 97 9.654 6.333 0.301 763 HG2 MET 97 HG2 MET 97 10.672 8.035 -1.052 764 HG3 MET 97 HG3 MET 97 9.648 7.608 -2.414 765 HE1 MET 97 HE1 MET 97 8.273 9.727 1.453 766 HE2 MET 97 HE2 MET 97 9.931 9.264 1.062 767 HE3 MET 97 HE3 MET 97 8.749 8.029 1.500 768 H ASP 98 H ASP 98 11.786 6.816 -2.933 769 HA ASP 98 HA ASP 98 10.410 6.047 -5.307 770 HB2 ASP 98 HB2 ASP 98 12.911 7.683 -4.799 771 HB3 ASP 98 HB3 ASP 98 12.295 7.392 -6.419 772 H ASN 99 H ASN 99 13.313 4.881 -3.771 773 HA ASN 99 HA ASN 99 14.148 3.336 -6.094 774 HB2 ASN 99 HB2 ASN 99 15.273 3.972 -3.413 775 HB3 ASN 99 HB3 ASN 99 15.754 2.432 -4.114 776 HD21 ASN 99 HD21 ASN 99 16.663 5.524 -3.801 777 HD22 ASN 99 HD22 ASN 99 17.604 5.721 -5.238 778 H ILE 100 H ILE 100 12.466 2.755 -3.008 779 HA ILE 100 HA ILE 100 12.357 -0.096 -3.279 780 HB ILE 100 HB ILE 100 10.573 1.789 -1.695 781 HG12 ILE 100 HG12 ILE 100 12.860 1.659 -0.809 782 HG13 ILE 100 HG13 ILE 100 11.710 0.979 0.305 783 HG21 ILE 100 HG21 ILE 100 9.408 -0.337 -2.317 784 HG22 ILE 100 HG22 ILE 100 9.544 -0.040 -0.588 785 HG23 ILE 100 HG23 ILE 100 10.615 -1.204 -1.371 786 HD11 ILE 100 HD11 ILE 100 13.744 -0.307 0.294 787 HD12 ILE 100 HD12 ILE 100 13.625 -0.545 -1.452 788 HD13 ILE 100 HD13 ILE 100 12.429 -1.273 -0.379 789 H LYS 101 H LYS 101 9.912 2.456 -3.856 790 HA LYS 101 HA LYS 101 7.945 1.079 -5.191 791 HB2 LYS 101 HB2 LYS 101 7.772 3.399 -4.458 792 HB3 LYS 101 HB3 LYS 101 8.929 3.881 -5.688 793 HG2 LYS 101 HG2 LYS 101 7.303 3.049 -7.411 794 HG3 LYS 101 HG3 LYS 101 6.148 2.830 -6.099 795 HD2 LYS 101 HD2 LYS 101 6.145 5.183 -5.619 796 HD3 LYS 101 HD3 LYS 101 7.492 5.447 -6.718 797 HE2 LYS 101 HE2 LYS 101 6.031 4.760 -8.602 798 HE3 LYS 101 HE3 LYS 101 4.688 4.645 -7.470 799 HZ1 LYS 101 HZ1 LYS 101 4.937 7.003 -6.995 800 HZ2 LYS 101 HZ2 LYS 101 4.675 6.752 -8.646 801 HZ3 LYS 101 HZ3 LYS 101 6.230 7.109 -8.082 802 H MET 102 H MET 102 10.874 2.510 -6.588 803 HA MET 102 HA MET 102 10.472 2.002 -9.287 804 HB2 MET 102 HB2 MET 102 12.321 3.315 -8.356 805 HB3 MET 102 HB3 MET 102 13.046 1.869 -7.718 806 HG2 MET 102 HG2 MET 102 13.250 1.063 -10.102 807 HG3 MET 102 HG3 MET 102 12.743 2.683 -10.579 808 HE1 MET 102 HE1 MET 102 15.676 4.935 -9.360 809 HE2 MET 102 HE2 MET 102 14.090 4.647 -8.645 810 HE3 MET 102 HE3 MET 102 14.246 4.865 -10.387 811 H THR 103 H THR 103 12.159 -0.166 -6.963 812 HA THR 103 HA THR 103 12.449 -2.354 -8.697 813 HB THR 103 HB THR 103 12.191 -2.357 -5.673 814 HG1 THR 103 HG1 THR 103 14.160 -1.607 -7.370 815 HG21 THR 103 HG21 THR 103 13.262 -4.514 -7.510 816 HG22 THR 103 HG22 THR 103 11.780 -4.611 -6.561 817 HG23 THR 103 HG23 THR 103 13.343 -4.539 -5.749 818 H LEU 104 H LEU 104 9.987 -1.920 -6.129 819 HA LEU 104 HA LEU 104 8.240 -3.948 -6.524 820 HB2 LEU 104 HB2 LEU 104 7.609 -1.030 -6.020 821 HB3 LEU 104 HB3 LEU 104 6.426 -2.297 -5.844 822 HG LEU 104 HG LEU 104 8.946 -2.057 -4.208 823 HD11 LEU 104 HD11 LEU 104 6.998 -1.717 -2.431 824 HD12 LEU 104 HD12 LEU 104 6.186 -1.040 -3.843 825 HD13 LEU 104 HD13 LEU 104 7.719 -0.372 -3.298 826 HD21 LEU 104 HD21 LEU 104 6.603 -3.728 -3.456 827 HD22 LEU 104 HD22 LEU 104 8.298 -3.896 -2.999 828 HD23 LEU 104 HD23 LEU 104 7.774 -4.364 -4.612 829 H GLN 105 H GLN 105 7.916 -0.791 -8.095 830 HA GLN 105 HA GLN 105 5.897 -1.248 -9.908 831 HB2 GLN 105 HB2 GLN 105 6.990 0.931 -9.413 832 HB3 GLN 105 HB3 GLN 105 8.351 0.452 -10.406 833 HG2 GLN 105 HG2 GLN 105 6.965 0.388 -12.377 834 HG3 GLN 105 HG3 GLN 105 5.525 0.677 -11.412 835 HE21 GLN 105 HE21 GLN 105 5.501 2.383 -13.243 836 HE22 GLN 105 HE22 GLN 105 6.165 3.924 -12.828 837 H GLN 106 H GLN 106 9.246 -2.215 -10.225 838 HA GLN 106 HA GLN 106 9.017 -2.994 -13.002 839 HB2 GLN 106 HB2 GLN 106 11.207 -3.308 -10.937 840 HB3 GLN 106 HB3 GLN 106 11.344 -3.908 -12.579 841 HG2 GLN 106 HG2 GLN 106 11.242 -1.730 -13.487 842 HG3 GLN 106 HG3 GLN 106 10.811 -1.013 -11.947 843 HE21 GLN 106 HE21 GLN 106 12.757 0.242 -12.998 844 HE22 GLN 106 HE22 GLN 106 14.310 -0.200 -12.383 845 H ILE 107 H ILE 107 8.495 -4.418 -9.923 846 HA ILE 107 HA ILE 107 8.589 -7.165 -10.801 847 HB ILE 107 HB ILE 107 7.673 -5.894 -8.201 848 HG12 ILE 107 HG12 ILE 107 10.134 -7.563 -8.803 849 HG13 ILE 107 HG13 ILE 107 10.119 -5.818 -8.728 850 HG21 ILE 107 HG21 ILE 107 7.944 -8.838 -8.811 851 HG22 ILE 107 HG22 ILE 107 6.432 -7.959 -8.585 852 HG23 ILE 107 HG23 ILE 107 7.561 -8.122 -7.242 853 HD11 ILE 107 HD11 ILE 107 9.662 -5.839 -6.385 854 HD12 ILE 107 HD12 ILE 107 11.035 -6.902 -6.702 855 HD13 ILE 107 HD13 ILE 107 9.439 -7.587 -6.399 856 H ILE 108 H ILE 108 6.007 -4.794 -10.048 857 HA ILE 108 HA ILE 108 3.859 -6.655 -10.374 858 HB ILE 108 HB ILE 108 3.774 -3.619 -10.427 859 HG12 ILE 108 HG12 ILE 108 2.792 -5.370 -8.214 860 HG13 ILE 108 HG13 ILE 108 4.494 -5.014 -8.325 861 HG21 ILE 108 HG21 ILE 108 1.818 -4.631 -11.567 862 HG22 ILE 108 HG22 ILE 108 1.365 -3.824 -10.061 863 HG23 ILE 108 HG23 ILE 108 1.493 -5.589 -10.118 864 HD11 ILE 108 HD11 ILE 108 4.039 -2.647 -8.137 865 HD12 ILE 108 HD12 ILE 108 3.365 -3.531 -6.770 866 HD13 ILE 108 HD13 ILE 108 2.311 -2.974 -8.068 867 H SER 109 H SER 109 5.456 -4.375 -12.505 868 HA SER 109 HA SER 109 3.730 -4.560 -14.736 869 HB2 SER 109 HB2 SER 109 5.539 -3.589 -16.014 870 HB3 SER 109 HB3 SER 109 5.481 -2.814 -14.431 871 HG SER 109 HG SER 109 7.097 -4.831 -14.138 872 H ARG 110 H ARG 110 6.025 -6.804 -13.467 873 HA ARG 110 HA ARG 110 6.284 -8.434 -15.827 874 HB2 ARG 110 HB2 ARG 110 6.875 -8.975 -12.923 875 HB3 ARG 110 HB3 ARG 110 7.145 -10.154 -14.199 876 HG2 ARG 110 HG2 ARG 110 8.732 -8.687 -15.264 877 HG3 ARG 110 HG3 ARG 110 8.421 -7.431 -14.069 878 HD2 ARG 110 HD2 ARG 110 9.229 -8.946 -12.304 879 HD3 ARG 110 HD3 ARG 110 9.568 -10.153 -13.539 880 HE ARG 110 HE ARG 110 11.133 -8.375 -14.477 881 HH11 ARG 110 HH11 ARG 110 10.490 -8.708 -11.037 882 HH12 ARG 110 HH12 ARG 110 12.026 -8.054 -10.572 883 HH21 ARG 110 HH21 ARG 110 13.136 -7.524 -13.841 884 HH22 ARG 110 HH22 ARG 110 13.521 -7.386 -12.159 885 H TYR 111 H TYR 111 4.372 -8.581 -12.850 886 HA TYR 111 HA TYR 111 2.778 -10.837 -13.742 887 HB2 TYR 111 HB2 TYR 111 2.330 -9.014 -11.368 888 HB3 TYR 111 HB3 TYR 111 1.565 -10.570 -11.660 889 HD1 TYR 111 HD1 TYR 111 4.396 -8.907 -10.235 890 HD2 TYR 111 HD2 TYR 111 3.042 -12.652 -11.741 891 HE1 TYR 111 HE1 TYR 111 6.233 -10.039 -9.062 892 HE2 TYR 111 HE2 TYR 111 4.879 -13.791 -10.574 893 HH TYR 111 HH TYR 111 7.109 -13.250 -9.698 894 H LYS 112 H LYS 112 2.824 -7.644 -14.524 895 HA LYS 112 HA LYS 112 -0.025 -7.201 -14.827 896 HB2 LYS 112 HB2 LYS 112 1.595 -5.401 -14.218 897 HB3 LYS 112 HB3 LYS 112 2.322 -5.566 -15.809 898 HG2 LYS 112 HG2 LYS 112 0.869 -3.691 -15.883 899 HG3 LYS 112 HG3 LYS 112 0.092 -4.981 -16.777 900 HD2 LYS 112 HD2 LYS 112 -1.351 -5.470 -14.856 901 HD3 LYS 112 HD3 LYS 112 -0.548 -4.210 -13.925 902 HE2 LYS 112 HE2 LYS 112 -1.395 -2.515 -15.498 903 HE3 LYS 112 HE3 LYS 112 -2.186 -3.779 -16.434 904 HZ1 LYS 112 HZ1 LYS 112 -3.686 -2.584 -14.902 905 HZ2 LYS 112 HZ2 LYS 112 -2.800 -3.181 -13.591 906 HZ3 LYS 112 HZ3 LYS 112 -3.630 -4.247 -14.606 907 H ASP 113 H ASP 113 2.779 -8.073 -16.739 908 HA ASP 113 HA ASP 113 1.248 -8.304 -19.198 909 HB2 ASP 113 HB2 ASP 113 4.161 -8.602 -18.485 910 HB3 ASP 113 HB3 ASP 113 3.540 -9.055 -20.058 911 H ALA 114 H ALA 114 2.410 -10.236 -16.576 912 HA ALA 114 HA ALA 114 1.549 -12.687 -17.952 913 HB1 ALA 114 HB1 ALA 114 3.966 -12.692 -17.557 914 HB2 ALA 114 HB2 ALA 114 3.153 -13.948 -16.623 915 HB3 ALA 114 HB3 ALA 114 3.681 -12.463 -15.832 916 H ASP 115 H ASP 115 -0.528 -11.763 -17.092 917 HA ASP 115 HA ASP 115 -1.002 -12.483 -14.285 918 HB2 ASP 115 HB2 ASP 115 -1.626 -10.191 -14.980 919 HB3 ASP 115 HB3 ASP 115 -2.745 -10.861 -16.160 920 H1 GLY 519 H1 GLY 519 -20.969 27.568 15.363 921 H2 GLY 519 H2 GLY 519 -19.740 26.794 14.498 922 H3 GLY 519 H3 GLY 519 -19.383 27.577 15.954 923 HA2 GLY 519 HA2 GLY 519 -20.741 25.999 17.178 924 HA3 GLY 519 HA3 GLY 519 -21.119 25.185 15.667 925 H SER 520 H SER 520 -19.842 23.589 15.003 926 HA SER 520 HA SER 520 -18.224 22.016 14.913 927 HB2 SER 520 HB2 SER 520 -16.760 23.772 14.106 928 HB3 SER 520 HB3 SER 520 -16.417 24.295 15.756 929 HG SER 520 HG SER 520 -14.876 22.800 14.591 930 HA PRO 521 HA PRO 521 -18.353 20.551 19.175 931 HB2 PRO 521 HB2 PRO 521 -17.689 17.945 18.641 932 HB3 PRO 521 HB3 PRO 521 -19.304 18.615 18.418 933 HG2 PRO 521 HG2 PRO 521 -17.247 18.096 16.437 934 HG3 PRO 521 HG3 PRO 521 -18.868 17.968 16.289 935 HD2 PRO 521 HD2 PRO 521 -17.478 19.868 15.298 936 HD3 PRO 521 HD3 PRO 521 -19.073 19.975 15.629 937 H GLY 522 H GLY 522 -15.570 20.108 17.063 938 HA2 GLY 522 HA2 GLY 522 -13.377 20.757 17.817 939 HA3 GLY 522 HA3 GLY 522 -13.816 20.217 19.430 940 H TYR 523 H TYR 523 -13.510 18.119 20.012 941 HA TYR 523 HA TYR 523 -12.263 16.356 18.005 942 HB2 TYR 523 HB2 TYR 523 -10.680 17.160 19.746 943 HB3 TYR 523 HB3 TYR 523 -11.696 16.427 20.979 944 HD1 TYR 523 HD1 TYR 523 -9.378 15.748 18.196 945 HD2 TYR 523 HD2 TYR 523 -11.647 14.048 21.373 946 HE1 TYR 523 HE1 TYR 523 -8.133 13.643 17.953 947 HE2 TYR 523 HE2 TYR 523 -10.407 11.938 21.134 948 HH TYR 523 HH TYR 523 -7.562 11.673 19.307 949 HA PRO 524 HA PRO 524 -15.943 13.792 18.987 950 HB2 PRO 524 HB2 PRO 524 -14.509 11.966 17.115 951 HB3 PRO 524 HB3 PRO 524 -16.214 12.433 17.137 952 HG2 PRO 524 HG2 PRO 524 -14.663 13.512 15.368 953 HG3 PRO 524 HG3 PRO 524 -15.689 14.497 16.170 954 HD2 PRO 524 HD2 PRO 524 -12.830 14.136 16.750 955 HD3 PRO 524 HD3 PRO 524 -13.615 15.563 16.623 956 H ASN 525 H ASN 525 -16.243 12.224 20.471 957 HA ASN 525 HA ASN 525 -13.891 10.680 21.365 958 HB2 ASN 525 HB2 ASN 525 -16.166 11.803 23.025 959 HB3 ASN 525 HB3 ASN 525 -14.915 10.735 23.646 960 HD21 ASN 525 HD21 ASN 525 -15.851 13.876 23.351 961 HD22 ASN 525 HD22 ASN 525 -14.325 14.655 23.580 962 H GLY 526 H GLY 526 -14.132 8.520 21.747 963 HA2 GLY 526 HA2 GLY 526 -16.128 6.900 22.371 964 HA3 GLY 526 HA3 GLY 526 -16.568 7.277 20.713 965 H LEU 527 H LEU 527 -16.366 4.972 20.349 966 HA LEU 527 HA LEU 527 -13.571 4.152 19.956 967 HB2 LEU 527 HB2 LEU 527 -15.899 2.352 20.590 968 HB3 LEU 527 HB3 LEU 527 -14.309 1.786 20.178 969 HG LEU 527 HG LEU 527 -15.052 3.311 22.686 970 HD11 LEU 527 HD11 LEU 527 -14.669 1.227 23.868 971 HD12 LEU 527 HD12 LEU 527 -14.386 0.407 22.334 972 HD13 LEU 527 HD13 LEU 527 -15.972 1.082 22.692 973 HD21 LEU 527 HD21 LEU 527 -12.422 2.135 21.821 974 HD22 LEU 527 HD22 LEU 527 -12.784 2.635 23.476 975 HD23 LEU 527 HD23 LEU 527 -12.783 3.825 22.173 976 H LEU 528 H LEU 528 -15.456 5.576 18.132 977 HA LEU 528 HA LEU 528 -16.068 3.804 16.016 978 HB2 LEU 528 HB2 LEU 528 -15.895 6.788 16.129 979 HB3 LEU 528 HB3 LEU 528 -16.440 5.927 14.718 980 HG LEU 528 HG LEU 528 -17.776 5.925 17.415 981 HD11 LEU 528 HD11 LEU 528 -18.587 7.314 14.865 982 HD12 LEU 528 HD12 LEU 528 -18.006 8.091 16.337 983 HD13 LEU 528 HD13 LEU 528 -19.548 7.236 16.341 984 HD21 LEU 528 HD21 LEU 528 -18.149 3.842 16.244 985 HD22 LEU 528 HD22 LEU 528 -18.639 4.718 14.795 986 HD23 LEU 528 HD23 LEU 528 -19.629 4.799 16.253 987 H SER 529 H SER 529 -13.206 4.808 17.167 988 HA SER 529 HA SER 529 -11.725 4.013 14.831 989 HB2 SER 529 HB2 SER 529 -11.974 6.393 14.309 990 HB3 SER 529 HB3 SER 529 -11.408 6.827 15.920 991 HG SER 529 HG SER 529 -9.412 5.710 15.313 992 H GLY 530 H GLY 530 -10.308 2.615 15.659 993 HA2 GLY 530 HA2 GLY 530 -9.489 2.922 18.458 994 HA3 GLY 530 HA3 GLY 530 -9.464 1.431 17.543 995 H ASP 531 H ASP 531 -7.752 0.888 16.415 996 HA ASP 531 HA ASP 531 -5.458 2.720 16.278 997 HB2 ASP 531 HB2 ASP 531 -5.437 -0.122 17.300 998 HB3 ASP 531 HB3 ASP 531 -3.977 0.720 16.800 999 H GLU 532 H GLU 532 -7.559 0.965 14.540 1000 HA GLU 532 HA GLU 532 -5.645 0.425 12.387 1001 HB2 GLU 532 HB2 GLU 532 -8.095 -1.117 13.197 1002 HB3 GLU 532 HB3 GLU 532 -7.214 -1.389 11.719 1003 HG2 GLU 532 HG2 GLU 532 -5.228 -1.955 13.047 1004 HG3 GLU 532 HG3 GLU 532 -6.167 -1.719 14.516 1005 H ASP 533 H ASP 533 -7.755 2.576 13.194 1006 HA ASP 533 HA ASP 533 -9.335 2.604 10.712 1007 HB2 ASP 533 HB2 ASP 533 -9.909 3.866 13.405 1008 HB3 ASP 533 HB3 ASP 533 -10.923 4.055 11.982 1009 H PHE 534 H PHE 534 -6.541 3.908 11.632 1010 HA PHE 534 HA PHE 534 -7.135 6.676 10.970 1011 HB2 PHE 534 HB2 PHE 534 -4.657 5.323 12.003 1012 HB3 PHE 534 HB3 PHE 534 -4.593 6.959 11.368 1013 HD1 PHE 534 HD1 PHE 534 -5.467 4.873 14.174 1014 HD2 PHE 534 HD2 PHE 534 -5.874 8.768 12.514 1015 HE1 PHE 534 HE1 PHE 534 -6.129 5.742 16.382 1016 HE2 PHE 534 HE2 PHE 534 -6.533 9.644 14.716 1017 HZ PHE 534 HZ PHE 534 -6.662 8.130 16.653 1018 H SER 535 H SER 535 -6.025 3.890 9.377 1019 HA SER 535 HA SER 535 -4.774 5.354 7.197 1020 HB2 SER 535 HB2 SER 535 -4.263 3.166 6.234 1021 HB3 SER 535 HB3 SER 535 -3.730 3.251 7.909 1022 HG SER 535 HG SER 535 -5.690 2.126 8.452 1023 H SER 536 H SER 536 -7.889 4.595 8.031 1024 HA SER 536 HA SER 536 -8.905 4.250 5.332 1025 HB2 SER 536 HB2 SER 536 -11.115 4.207 6.371 1026 HB3 SER 536 HB3 SER 536 -10.021 3.145 7.254 1027 HG SER 536 HG SER 536 -9.968 5.659 8.254 1028 H ILE 537 H ILE 537 -8.572 6.778 7.733 1029 HA ILE 537 HA ILE 537 -9.838 8.758 6.010 1030 HB ILE 537 HB ILE 537 -8.710 8.961 8.812 1031 HG12 ILE 537 HG12 ILE 537 -11.574 9.320 7.890 1032 HG13 ILE 537 HG13 ILE 537 -10.931 7.794 8.474 1033 HG21 ILE 537 HG21 ILE 537 -10.002 11.184 7.228 1034 HG22 ILE 537 HG22 ILE 537 -8.309 11.098 7.719 1035 HG23 ILE 537 HG23 ILE 537 -9.575 11.252 8.939 1036 HD11 ILE 537 HD11 ILE 537 -10.453 8.904 10.653 1037 HD12 ILE 537 HD12 ILE 537 -12.166 8.848 10.237 1038 HD13 ILE 537 HD13 ILE 537 -11.259 10.348 10.043 1039 H ALA 538 H ALA 538 -6.654 7.690 6.962 1040 HA ALA 538 HA ALA 538 -5.374 9.958 5.703 1041 HB1 ALA 538 HB1 ALA 538 -4.080 7.480 6.818 1042 HB2 ALA 538 HB2 ALA 538 -4.424 8.938 7.745 1043 HB3 ALA 538 HB3 ALA 538 -3.281 8.996 6.404 1044 H ASP 539 H ASP 539 -6.956 7.504 4.493 1045 HA ASP 539 HA ASP 539 -5.198 7.006 2.189 1046 HB2 ASP 539 HB2 ASP 539 -6.065 4.927 2.467 1047 HB3 ASP 539 HB3 ASP 539 -7.340 5.516 3.524 1048 H MET 540 H MET 540 -8.212 8.472 3.200 1049 HA MET 540 HA MET 540 -9.029 9.479 0.661 1050 HB2 MET 540 HB2 MET 540 -9.643 10.336 3.493 1051 HB3 MET 540 HB3 MET 540 -10.377 11.070 2.078 1052 HG2 MET 540 HG2 MET 540 -10.603 8.184 2.910 1053 HG3 MET 540 HG3 MET 540 -11.848 9.416 3.087 1054 HE1 MET 540 HE1 MET 540 -12.113 10.996 0.527 1055 HE2 MET 540 HE2 MET 540 -13.500 10.135 1.195 1056 HE3 MET 540 HE3 MET 540 -13.114 9.989 -0.518 1057 H ASP 541 H ASP 541 -6.646 10.333 2.931 1058 HA ASP 541 HA ASP 541 -6.233 13.060 2.290 1059 HB2 ASP 541 HB2 ASP 541 -4.884 10.959 3.862 1060 HB3 ASP 541 HB3 ASP 541 -3.876 12.288 3.340 1061 H PHE 542 H PHE 542 -5.007 10.041 0.923 1062 HA PHE 542 HA PHE 542 -2.709 11.298 -0.270 1063 HB2 PHE 542 HB2 PHE 542 -3.791 8.506 -0.393 1064 HB3 PHE 542 HB3 PHE 542 -2.396 9.012 -1.339 1065 HD1 PHE 542 HD1 PHE 542 -3.324 7.396 1.465 1066 HD2 PHE 542 HD2 PHE 542 -0.579 10.377 0.272 1067 HE1 PHE 542 HE1 PHE 542 -1.902 6.821 3.379 1068 HE2 PHE 542 HE2 PHE 542 0.851 9.836 2.189 1069 HZ PHE 542 HZ PHE 542 0.289 8.297 3.730 1070 H SER 543 H SER 543 -5.919 10.409 -1.373 1071 HA SER 543 HA SER 543 -5.349 10.191 -4.116 1072 HB2 SER 543 HB2 SER 543 -7.787 10.159 -4.327 1073 HB3 SER 543 HB3 SER 543 -7.252 9.094 -3.047 1074 HG SER 543 HG SER 543 -7.661 11.169 -1.736 1075 H ALA 544 H ALA 544 -6.230 12.915 -2.098 1076 HA ALA 544 HA ALA 544 -6.592 14.670 -4.401 1077 HB1 ALA 544 HB1 ALA 544 -6.697 15.307 -1.453 1078 HB2 ALA 544 HB2 ALA 544 -8.084 14.915 -2.469 1079 HB3 ALA 544 HB3 ALA 544 -7.159 16.387 -2.768 1080 H LEU 545 H LEU 545 -4.066 13.535 -2.508 1081 HA LEU 545 HA LEU 545 -2.413 15.915 -2.566 1082 HB2 LEU 545 HB2 LEU 545 -2.429 13.343 -1.206 1083 HB3 LEU 545 HB3 LEU 545 -0.836 13.776 -1.775 1084 HG LEU 545 HG LEU 545 -2.504 15.590 -0.047 1085 HD11 LEU 545 HD11 LEU 545 -1.144 14.852 1.854 1086 HD12 LEU 545 HD12 LEU 545 -0.415 13.607 0.837 1087 HD13 LEU 545 HD13 LEU 545 -2.138 13.547 1.208 1088 HD21 LEU 545 HD21 LEU 545 -0.781 16.749 -1.226 1089 HD22 LEU 545 HD22 LEU 545 0.407 15.526 -0.781 1090 HD23 LEU 545 HD23 LEU 545 -0.283 16.575 0.454 1091 H LEU 546 H LEU 546 -2.698 12.866 -4.317 1092 HA LEU 546 HA LEU 546 -0.203 13.290 -5.772 1093 HB2 LEU 546 HB2 LEU 546 -2.271 11.097 -5.961 1094 HB3 LEU 546 HB3 LEU 546 -0.776 11.130 -6.869 1095 HG LEU 546 HG LEU 546 -0.947 11.073 -3.870 1096 HD11 LEU 546 HD11 LEU 546 -1.819 9.001 -4.852 1097 HD12 LEU 546 HD12 LEU 546 -0.298 8.741 -4.000 1098 HD13 LEU 546 HD13 LEU 546 -0.320 8.814 -5.765 1099 HD21 LEU 546 HD21 LEU 546 1.454 10.438 -4.040 1100 HD22 LEU 546 HD22 LEU 546 1.112 12.064 -4.626 1101 HD23 LEU 546 HD23 LEU 546 1.370 10.755 -5.773 1102 H SER 547 H SER 547 -3.573 13.779 -6.148 1103 HA SER 547 HA SER 547 -3.392 14.292 -9.015 1104 HB2 SER 547 HB2 SER 547 -5.825 14.700 -8.891 1105 HB3 SER 547 HB3 SER 547 -5.395 13.143 -8.183 1106 HG SER 547 HG SER 547 -6.741 14.070 -6.732 1107 H GLN 548 H GLN 548 -4.297 16.126 -6.075 1108 HA GLN 548 HA GLN 548 -4.386 18.340 -5.584 1109 HB2 GLN 548 HB2 GLN 548 -1.844 18.252 -7.202 1110 HB3 GLN 548 HB3 GLN 548 -2.352 19.662 -6.289 1111 HG2 GLN 548 HG2 GLN 548 -2.243 18.402 -4.217 1112 HG3 GLN 548 HG3 GLN 548 -1.832 16.951 -5.119 1113 HE21 GLN 548 HE21 GLN 548 -0.171 17.555 -3.173 1114 HE22 GLN 548 HE22 GLN 548 1.307 18.227 -3.765 1115 H ILE 549 H ILE 549 -6.364 18.348 -6.998 1116 HA ILE 549 HA ILE 549 -6.069 20.397 -9.103 1117 HB ILE 549 HB ILE 549 -8.021 18.069 -9.107 1118 HG12 ILE 549 HG12 ILE 549 -5.887 18.673 -11.176 1119 HG13 ILE 549 HG13 ILE 549 -5.635 17.571 -9.837 1120 HG21 ILE 549 HG21 ILE 549 -8.815 18.901 -11.286 1121 HG22 ILE 549 HG22 ILE 549 -7.813 20.337 -11.087 1122 HG23 ILE 549 HG23 ILE 549 -9.142 20.031 -9.970 1123 HD11 ILE 549 HD11 ILE 549 -7.620 17.236 -12.086 1124 HD12 ILE 549 HD12 ILE 549 -7.443 16.137 -10.719 1125 HD13 ILE 549 HD13 ILE 549 -6.115 16.343 -11.859 1126 H SER 550 H SER 550 -7.197 22.193 -8.769 1127 HA SER 550 HA SER 550 -8.584 23.766 -7.924 1128 HB2 SER 550 HB2 SER 550 -10.393 22.469 -8.911 1129 HB3 SER 550 HB3 SER 550 -10.471 21.438 -7.484 1130 HG SER 550 HG SER 550 -10.748 24.203 -7.156 1131 H SER 551 H SER 551 -8.573 24.903 -6.116 1132 HA SER 551 HA SER 551 -8.217 23.473 -3.567 1133 HB2 SER 551 HB2 SER 551 -6.254 24.788 -4.135 1134 HB3 SER 551 HB3 SER 551 -7.246 26.220 -4.407 1135 HG SER 551 HG SER 551 -7.428 24.988 -1.913 Start of MODEL 3 1 H2 PRO 1 H2 PRO 1 21.743 -0.069 -2.350 2 H3 PRO 1 H1 PRO 1 20.704 -0.966 -3.235 3 HA PRO 1 HA PRO 1 21.138 1.817 -3.177 4 HB2 PRO 1 HB2 PRO 1 20.226 0.749 -5.824 5 HB3 PRO 1 HB3 PRO 1 21.008 2.298 -5.436 6 HG2 PRO 1 HG2 PRO 1 22.382 0.223 -6.382 7 HG3 PRO 1 HG3 PRO 1 23.055 1.311 -5.368 8 HD2 PRO 1 HD2 PRO 1 22.319 -1.383 -4.768 9 HD3 PRO 1 HD3 PRO 1 23.365 -0.440 -3.941 10 H SER 2 H SER 2 19.230 -1.051 -3.957 11 HA SER 2 HA SER 2 16.803 0.331 -3.050 12 HB2 SER 2 HB2 SER 2 15.514 -0.608 -4.914 13 HB3 SER 2 HB3 SER 2 16.850 0.363 -5.533 14 HG SER 2 HG SER 2 17.053 -2.436 -5.178 15 H HIS 3 H HIS 3 14.957 -1.613 -3.313 16 HA HIS 3 HA HIS 3 14.081 -3.550 -2.583 17 HB2 HIS 3 HB2 HIS 3 16.894 -4.533 -2.214 18 HB3 HIS 3 HB3 HIS 3 15.474 -5.520 -1.991 19 HD1 HIS 3 HD1 HIS 3 16.518 -7.055 -3.885 20 HD2 HIS 3 HD2 HIS 3 15.325 -3.268 -5.112 21 HE1 HIS 3 HE1 HIS 3 16.399 -7.166 -6.393 22 HE2 HIS 3 HE2 HIS 3 15.623 -4.881 -7.108 23 H SER 4 H SER 4 16.775 -2.528 -0.518 24 HA SER 4 HA SER 4 14.925 -2.731 1.751 25 HB2 SER 4 HB2 SER 4 16.361 -4.635 1.973 26 HB3 SER 4 HB3 SER 4 17.794 -3.650 1.696 27 HG SER 4 HG SER 4 16.723 -4.239 4.000 28 H GLY 5 H GLY 5 14.966 -1.198 3.254 29 HA2 GLY 5 HA2 GLY 5 17.061 0.804 3.355 30 HA3 GLY 5 HA3 GLY 5 15.507 1.386 2.779 31 H ALA 6 H ALA 6 14.297 2.289 4.285 32 HA ALA 6 HA ALA 6 13.950 0.951 6.855 33 HB1 ALA 6 HB1 ALA 6 14.597 3.894 6.719 34 HB2 ALA 6 HB2 ALA 6 15.713 2.632 7.245 35 HB3 ALA 6 HB3 ALA 6 14.244 2.948 8.167 36 H ALA 7 H ALA 7 11.834 0.916 7.418 37 HA ALA 7 HA ALA 7 10.020 2.990 6.437 38 HB1 ALA 7 HB1 ALA 7 9.604 0.064 5.881 39 HB2 ALA 7 HB2 ALA 7 9.942 1.320 4.692 40 HB3 ALA 7 HB3 ALA 7 8.420 1.331 5.583 41 H ILE 8 H ILE 8 8.097 3.212 7.618 42 HA ILE 8 HA ILE 8 7.980 1.748 10.175 43 HB ILE 8 HB ILE 8 6.695 4.405 9.471 44 HG12 ILE 8 HG12 ILE 8 9.028 3.952 11.330 45 HG13 ILE 8 HG13 ILE 8 9.221 4.417 9.655 46 HG21 ILE 8 HG21 ILE 8 5.419 3.190 11.175 47 HG22 ILE 8 HG22 ILE 8 6.186 4.623 11.855 48 HG23 ILE 8 HG23 ILE 8 6.877 3.028 12.155 49 HD11 ILE 8 HD11 ILE 8 8.113 6.511 10.076 50 HD12 ILE 8 HD12 ILE 8 9.416 6.290 11.242 51 HD13 ILE 8 HD13 ILE 8 7.740 6.017 11.728 52 H PHE 9 H PHE 9 6.121 0.686 10.783 53 HA PHE 9 HA PHE 9 3.750 0.777 9.084 54 HB2 PHE 9 HB2 PHE 9 5.277 -1.044 8.213 55 HB3 PHE 9 HB3 PHE 9 5.077 -1.866 9.751 56 HD1 PHE 9 HD1 PHE 9 3.340 -0.766 6.683 57 HD2 PHE 9 HD2 PHE 9 3.128 -3.154 10.203 58 HE1 PHE 9 HE1 PHE 9 1.340 -1.884 5.800 59 HE2 PHE 9 HE2 PHE 9 1.126 -4.279 9.322 60 HZ PHE 9 HZ PHE 9 0.227 -3.643 7.118 61 H GLU 10 H GLU 10 2.029 0.928 10.309 62 HA GLU 10 HA GLU 10 0.628 1.011 12.084 63 HB2 GLU 10 HB2 GLU 10 1.964 -1.615 12.726 64 HB3 GLU 10 HB3 GLU 10 0.542 -1.017 13.566 65 HG2 GLU 10 HG2 GLU 10 -0.694 -1.011 11.457 66 HG3 GLU 10 HG3 GLU 10 0.730 -1.625 10.622 67 H LYS 11 H LYS 11 2.865 2.547 12.354 68 HA LYS 11 HA LYS 11 3.805 4.001 13.814 69 HB2 LYS 11 HB2 LYS 11 2.150 2.569 15.892 70 HB3 LYS 11 HB3 LYS 11 3.147 3.975 16.232 71 HG2 LYS 11 HG2 LYS 11 1.828 5.323 14.724 72 HG3 LYS 11 HG3 LYS 11 0.885 3.925 14.235 73 HD2 LYS 11 HD2 LYS 11 0.086 3.708 16.569 74 HD3 LYS 11 HD3 LYS 11 0.953 5.187 16.979 75 HE2 LYS 11 HE2 LYS 11 -0.431 6.483 15.520 76 HE3 LYS 11 HE3 LYS 11 -1.163 5.030 14.846 77 HZ1 LYS 11 HZ1 LYS 11 -1.462 5.993 17.638 78 HZ2 LYS 11 HZ2 LYS 11 -2.143 4.575 17.018 79 HZ3 LYS 11 HZ3 LYS 11 -2.641 6.079 16.427 80 H VAL 12 H VAL 12 4.447 0.736 13.861 81 HA VAL 12 HA VAL 12 6.738 0.980 15.664 82 HB VAL 12 HB VAL 12 5.964 -1.397 13.930 83 HG11 VAL 12 HG11 VAL 12 8.326 -1.432 14.563 84 HG12 VAL 12 HG12 VAL 12 7.437 -2.703 15.402 85 HG13 VAL 12 HG13 VAL 12 7.885 -1.227 16.259 86 HG21 VAL 12 HG21 VAL 12 5.418 -0.920 16.851 87 HG22 VAL 12 HG22 VAL 12 5.139 -2.435 15.991 88 HG23 VAL 12 HG23 VAL 12 4.219 -0.993 15.558 89 H SER 13 H SER 13 8.616 1.740 14.946 90 HA SER 13 HA SER 13 9.066 2.077 12.125 91 HB2 SER 13 HB2 SER 13 9.785 3.868 13.601 92 HB3 SER 13 HB3 SER 13 10.820 2.755 14.494 93 HG SER 13 HG SER 13 12.057 2.492 12.585 94 H GLY 14 H GLY 14 10.325 0.943 10.824 95 HA2 GLY 14 HA2 GLY 14 12.016 -1.169 11.906 96 HA3 GLY 14 HA3 GLY 14 10.621 -1.684 10.978 97 H ILE 15 H ILE 15 12.256 -2.706 9.688 98 HA ILE 15 HA ILE 15 13.374 -0.872 7.672 99 HB ILE 15 HB ILE 15 14.547 -3.426 8.785 100 HG12 ILE 15 HG12 ILE 15 15.831 -0.689 8.660 101 HG13 ILE 15 HG13 ILE 15 14.951 -1.295 10.044 102 HG21 ILE 15 HG21 ILE 15 15.550 -1.908 6.384 103 HG22 ILE 15 HG22 ILE 15 14.907 -3.552 6.417 104 HG23 ILE 15 HG23 ILE 15 16.435 -3.187 7.220 105 HD11 ILE 15 HD11 ILE 15 17.539 -2.356 8.951 106 HD12 ILE 15 HD12 ILE 15 16.621 -3.115 10.253 107 HD13 ILE 15 HD13 ILE 15 17.283 -1.494 10.467 108 H ILE 16 H ILE 16 12.936 -1.326 5.561 109 HA ILE 16 HA ILE 16 11.099 -3.545 5.039 110 HB ILE 16 HB ILE 16 10.791 -0.912 4.454 111 HG12 ILE 16 HG12 ILE 16 9.603 -3.131 2.777 112 HG13 ILE 16 HG13 ILE 16 9.107 -2.767 4.419 113 HG21 ILE 16 HG21 ILE 16 11.203 -0.289 2.268 114 HG22 ILE 16 HG22 ILE 16 11.371 -1.962 1.712 115 HG23 ILE 16 HG23 ILE 16 12.660 -1.212 2.667 116 HD11 ILE 16 HD11 ILE 16 8.763 -1.045 1.974 117 HD12 ILE 16 HD12 ILE 16 8.497 -0.460 3.614 118 HD13 ILE 16 HD13 ILE 16 7.511 -1.773 2.984 119 H ALA 17 H ALA 17 11.497 -5.099 3.513 120 HA ALA 17 HA ALA 17 13.979 -4.935 1.949 121 HB1 ALA 17 HB1 ALA 17 13.156 -7.333 3.585 122 HB2 ALA 17 HB2 ALA 17 14.512 -6.257 3.926 123 HB3 ALA 17 HB3 ALA 17 14.526 -7.264 2.477 124 H ILE 18 H ILE 18 13.933 -5.974 -0.043 125 HA ILE 18 HA ILE 18 11.308 -7.002 -0.848 126 HB ILE 18 HB ILE 18 13.480 -5.742 -2.521 127 HG12 ILE 18 HG12 ILE 18 10.547 -5.120 -2.230 128 HG13 ILE 18 HG13 ILE 18 11.804 -4.305 -1.320 129 HG21 ILE 18 HG21 ILE 18 11.022 -7.166 -3.537 130 HG22 ILE 18 HG22 ILE 18 12.689 -7.716 -3.725 131 HG23 ILE 18 HG23 ILE 18 12.161 -6.231 -4.516 132 HD11 ILE 18 HD11 ILE 18 11.624 -2.776 -2.954 133 HD12 ILE 18 HD12 ILE 18 10.884 -3.917 -4.077 134 HD13 ILE 18 HD13 ILE 18 12.635 -3.897 -3.872 135 H ASN 19 H ASN 19 11.068 -8.886 -1.855 136 HA ASN 19 HA ASN 19 13.193 -10.875 -1.447 137 HB2 ASN 19 HB2 ASN 19 10.617 -10.804 -0.336 138 HB3 ASN 19 HB3 ASN 19 10.464 -11.924 -1.684 139 HD21 ASN 19 HD21 ASN 19 10.103 -12.787 0.859 140 HD22 ASN 19 HD22 ASN 19 11.397 -13.831 1.326 141 H GLU 20 H GLU 20 14.107 -10.981 -3.480 142 HA GLU 20 HA GLU 20 12.344 -11.964 -5.624 143 HB2 GLU 20 HB2 GLU 20 14.786 -10.213 -5.864 144 HB3 GLU 20 HB3 GLU 20 14.110 -11.071 -7.227 145 HG2 GLU 20 HG2 GLU 20 11.949 -9.805 -6.721 146 HG3 GLU 20 HG3 GLU 20 12.930 -8.811 -5.655 147 H ASP 21 H ASP 21 13.719 -13.309 -7.289 148 HA ASP 21 HA ASP 21 14.821 -15.265 -7.726 149 HB2 ASP 21 HB2 ASP 21 16.376 -14.682 -5.192 150 HB3 ASP 21 HB3 ASP 21 16.735 -15.989 -6.304 151 H VAL 22 H VAL 22 12.773 -14.701 -5.342 152 HA VAL 22 HA VAL 22 12.564 -17.442 -4.322 153 HB VAL 22 HB VAL 22 10.995 -16.475 -2.635 154 HG11 VAL 22 HG11 VAL 22 13.295 -16.812 -2.033 155 HG12 VAL 22 HG12 VAL 22 12.732 -15.304 -1.309 156 HG13 VAL 22 HG13 VAL 22 13.754 -15.265 -2.749 157 HG21 VAL 22 HG21 VAL 22 11.831 -13.771 -3.725 158 HG22 VAL 22 HG22 VAL 22 10.859 -14.049 -2.280 159 HG23 VAL 22 HG23 VAL 22 10.222 -14.479 -3.865 160 H SER 23 H SER 23 9.983 -17.782 -3.775 161 HA SER 23 HA SER 23 8.600 -17.886 -6.290 162 HB2 SER 23 HB2 SER 23 6.799 -18.869 -4.981 163 HB3 SER 23 HB3 SER 23 8.324 -19.534 -4.398 164 HG SER 23 HG SER 23 6.457 -18.214 -3.027 165 HA PRO 24 HA PRO 24 7.166 -14.419 -7.447 166 HB2 PRO 24 HB2 PRO 24 4.539 -14.096 -6.037 167 HB3 PRO 24 HB3 PRO 24 4.936 -13.824 -7.739 168 HG2 PRO 24 HG2 PRO 24 3.752 -16.027 -7.029 169 HG3 PRO 24 HG3 PRO 24 4.933 -16.084 -8.156 170 HD2 PRO 24 HD2 PRO 24 5.057 -16.974 -5.450 171 HD3 PRO 24 HD3 PRO 24 5.851 -17.580 -6.742 172 H ALA 25 H ALA 25 7.990 -12.511 -7.026 173 HA ALA 25 HA ALA 25 9.290 -12.091 -4.676 174 HB1 ALA 25 HB1 ALA 25 10.030 -11.100 -6.739 175 HB2 ALA 25 HB2 ALA 25 9.844 -9.843 -5.517 176 HB3 ALA 25 HB3 ALA 25 8.622 -10.039 -6.774 177 H GLU 26 H GLU 26 9.064 -11.018 -2.843 178 HA GLU 26 HA GLU 26 6.519 -9.682 -2.340 179 HB2 GLU 26 HB2 GLU 26 7.303 -11.076 0.024 180 HB3 GLU 26 HB3 GLU 26 5.845 -11.224 -0.901 181 HG2 GLU 26 HG2 GLU 26 6.577 -13.039 -2.073 182 HG3 GLU 26 HG3 GLU 26 8.276 -12.668 -1.785 183 H LEU 27 H LEU 27 6.490 -7.973 -0.944 184 HA LEU 27 HA LEU 27 9.130 -6.974 -0.166 185 HB2 LEU 27 HB2 LEU 27 7.726 -5.418 -1.447 186 HB3 LEU 27 HB3 LEU 27 6.443 -5.578 -0.289 187 HG LEU 27 HG LEU 27 7.998 -4.565 1.437 188 HD11 LEU 27 HD11 LEU 27 9.566 -3.649 -0.951 189 HD12 LEU 27 HD12 LEU 27 10.074 -4.972 0.093 190 HD13 LEU 27 HD13 LEU 27 9.905 -3.349 0.755 191 HD21 LEU 27 HD21 LEU 27 7.203 -2.912 -0.949 192 HD22 LEU 27 HD22 LEU 27 7.579 -2.290 0.654 193 HD23 LEU 27 HD23 LEU 27 6.178 -3.331 0.423 194 H THR 28 H THR 28 9.775 -7.491 1.739 195 HA THR 28 HA THR 28 7.810 -8.236 3.796 196 HB THR 28 HB THR 28 10.726 -9.021 3.513 197 HG1 THR 28 HG1 THR 28 8.402 -10.653 3.300 198 HG21 THR 28 HG21 THR 28 10.217 -10.663 5.310 199 HG22 THR 28 HG22 THR 28 8.655 -9.876 5.547 200 HG23 THR 28 HG23 THR 28 10.155 -8.989 5.873 201 H TRP 29 H TRP 29 7.387 -6.494 5.027 202 HA TRP 29 HA TRP 29 9.510 -4.768 5.971 203 HB2 TRP 29 HB2 TRP 29 7.288 -3.774 5.551 204 HB3 TRP 29 HB3 TRP 29 6.575 -4.840 6.752 205 HD1 TRP 29 HD1 TRP 29 8.746 -1.704 6.456 206 HE1 TRP 29 HE1 TRP 29 8.916 -0.559 8.754 207 HE3 TRP 29 HE3 TRP 29 6.425 -5.259 9.316 208 HZ2 TRP 29 HZ2 TRP 29 8.161 -1.082 11.413 209 HZ3 TRP 29 HZ3 TRP 29 6.194 -4.854 11.732 210 HH2 TRP 29 HH2 TRP 29 7.050 -2.809 12.756 211 H ARG 30 H ARG 30 10.517 -4.886 7.857 212 HA ARG 30 HA ARG 30 9.501 -6.738 9.899 213 HB2 ARG 30 HB2 ARG 30 12.410 -6.260 9.262 214 HB3 ARG 30 HB3 ARG 30 11.768 -7.321 10.497 215 HG2 ARG 30 HG2 ARG 30 10.771 -8.740 8.787 216 HG3 ARG 30 HG3 ARG 30 11.405 -7.674 7.543 217 HD2 ARG 30 HD2 ARG 30 13.156 -9.028 9.567 218 HD3 ARG 30 HD3 ARG 30 12.733 -9.758 8.032 219 HE ARG 30 HE ARG 30 13.761 -7.284 7.416 220 HH11 ARG 30 HH11 ARG 30 14.981 -10.131 9.077 221 HH12 ARG 30 HH12 ARG 30 16.631 -9.806 8.664 222 HH21 ARG 30 HH21 ARG 30 15.933 -6.875 6.900 223 HH22 ARG 30 HH22 ARG 30 17.167 -7.968 7.433 224 H SER 31 H SER 31 10.115 -6.190 12.098 225 HA SER 31 HA SER 31 10.033 -3.395 12.662 226 HB2 SER 31 HB2 SER 31 10.081 -4.063 15.008 227 HB3 SER 31 HB3 SER 31 9.042 -5.172 14.117 228 HG SER 31 HG SER 31 10.406 -6.305 15.518 229 H THR 32 H THR 32 11.802 -2.394 14.234 230 HA THR 32 HA THR 32 14.211 -2.257 12.800 231 HB THR 32 HB THR 32 15.111 -1.392 15.179 232 HG1 THR 32 HG1 THR 32 13.255 -1.865 16.349 233 HG21 THR 32 HG21 THR 32 14.931 -0.119 13.064 234 HG22 THR 32 HG22 THR 32 14.472 0.833 14.476 235 HG23 THR 32 HG23 THR 32 13.226 0.178 13.417 236 H ASP 33 H ASP 33 13.338 -4.414 15.418 237 HA ASP 33 HA ASP 33 15.974 -5.701 15.289 238 HB2 ASP 33 HB2 ASP 33 13.615 -6.235 17.119 239 HB3 ASP 33 HB3 ASP 33 15.173 -7.047 17.211 240 H GLY 34 H GLY 34 12.615 -6.114 14.441 241 HA2 GLY 34 HA2 GLY 34 11.927 -7.322 12.542 242 HA3 GLY 34 HA3 GLY 34 13.298 -8.401 12.714 243 H ASP 35 H ASP 35 11.532 -7.674 15.588 244 HA ASP 35 HA ASP 35 10.580 -10.342 15.926 245 HB2 ASP 35 HB2 ASP 35 10.100 -7.765 17.429 246 HB3 ASP 35 HB3 ASP 35 9.322 -9.272 17.894 247 H LYS 36 H LYS 36 9.201 -7.388 14.658 248 HA LYS 36 HA LYS 36 6.669 -8.785 14.093 249 HB2 LYS 36 HB2 LYS 36 6.562 -6.600 15.351 250 HB3 LYS 36 HB3 LYS 36 7.219 -5.814 13.932 251 HG2 LYS 36 HG2 LYS 36 5.280 -6.313 12.651 252 HG3 LYS 36 HG3 LYS 36 4.661 -7.396 13.900 253 HD2 LYS 36 HD2 LYS 36 4.400 -5.502 15.428 254 HD3 LYS 36 HD3 LYS 36 5.071 -4.424 14.199 255 HE2 LYS 36 HE2 LYS 36 3.179 -4.621 12.834 256 HE3 LYS 36 HE3 LYS 36 2.620 -6.069 13.657 257 HZ1 LYS 36 HZ1 LYS 36 2.119 -4.743 15.601 258 HZ2 LYS 36 HZ2 LYS 36 1.304 -4.135 14.249 259 HZ3 LYS 36 HZ3 LYS 36 2.681 -3.347 14.829 260 H VAL 37 H VAL 37 6.207 -9.288 12.033 261 HA VAL 37 HA VAL 37 7.747 -8.045 9.877 262 HB VAL 37 HB VAL 37 7.629 -11.052 10.221 263 HG11 VAL 37 HG11 VAL 37 9.238 -11.163 8.369 264 HG12 VAL 37 HG12 VAL 37 9.074 -9.422 8.138 265 HG13 VAL 37 HG13 VAL 37 7.687 -10.481 7.875 266 HG21 VAL 37 HG21 VAL 37 9.134 -9.697 11.805 267 HG22 VAL 37 HG22 VAL 37 10.152 -9.449 10.385 268 HG23 VAL 37 HG23 VAL 37 9.824 -11.084 10.965 269 H HIS 38 H HIS 38 6.542 -7.557 8.178 270 HA HIS 38 HA HIS 38 4.025 -9.016 7.678 271 HB2 HIS 38 HB2 HIS 38 4.652 -6.080 7.247 272 HB3 HIS 38 HB3 HIS 38 3.201 -6.868 6.646 273 HD1 HIS 38 HD1 HIS 38 1.473 -7.689 8.483 274 HD2 HIS 38 HD2 HIS 38 4.568 -5.302 9.893 275 HE1 HIS 38 HE1 HIS 38 0.750 -6.933 10.770 276 HE2 HIS 38 HE2 HIS 38 2.596 -5.415 11.563 277 H THR 39 H THR 39 3.475 -9.363 5.435 278 HA THR 39 HA THR 39 5.756 -9.114 3.587 279 HB THR 39 HB THR 39 4.083 -11.594 4.033 280 HG1 THR 39 HG1 THR 39 6.306 -10.747 5.170 281 HG21 THR 39 HG21 THR 39 5.496 -12.688 2.355 282 HG22 THR 39 HG22 THR 39 6.312 -11.156 2.040 283 HG23 THR 39 HG23 THR 39 4.602 -11.344 1.637 284 H VAL 40 H VAL 40 5.318 -8.770 1.460 285 HA VAL 40 HA VAL 40 2.508 -8.497 0.593 286 HB VAL 40 HB VAL 40 4.720 -6.514 -0.019 287 HG11 VAL 40 HG11 VAL 40 1.796 -6.184 -0.603 288 HG12 VAL 40 HG12 VAL 40 2.965 -6.754 -1.792 289 HG13 VAL 40 HG13 VAL 40 3.119 -5.130 -1.103 290 HG21 VAL 40 HG21 VAL 40 3.398 -4.900 1.318 291 HG22 VAL 40 HG22 VAL 40 4.121 -6.204 2.263 292 HG23 VAL 40 HG23 VAL 40 2.400 -6.248 1.870 293 H VAL 41 H VAL 41 2.392 -10.161 -0.899 294 HA VAL 41 HA VAL 41 4.550 -10.733 -2.751 295 HB VAL 41 HB VAL 41 1.716 -11.850 -2.596 296 HG11 VAL 41 HG11 VAL 41 4.067 -12.802 -4.243 297 HG12 VAL 41 HG12 VAL 41 2.595 -12.058 -4.866 298 HG13 VAL 41 HG13 VAL 41 2.523 -13.638 -4.086 299 HG21 VAL 41 HG21 VAL 41 4.347 -13.074 -1.744 300 HG22 VAL 41 HG22 VAL 41 2.764 -13.850 -1.659 301 HG23 VAL 41 HG23 VAL 41 3.108 -12.437 -0.661 302 H LEU 42 H LEU 42 4.830 -9.598 -4.618 303 HA LEU 42 HA LEU 42 2.995 -7.484 -5.179 304 HB2 LEU 42 HB2 LEU 42 5.575 -8.270 -6.514 305 HB3 LEU 42 HB3 LEU 42 4.575 -6.992 -7.139 306 HG LEU 42 HG LEU 42 6.156 -5.810 -5.953 307 HD11 LEU 42 HD11 LEU 42 3.882 -5.206 -5.200 308 HD12 LEU 42 HD12 LEU 42 5.142 -4.854 -4.021 309 HD13 LEU 42 HD13 LEU 42 4.113 -6.261 -3.805 310 HD21 LEU 42 HD21 LEU 42 6.046 -7.841 -3.739 311 HD22 LEU 42 HD22 LEU 42 7.072 -6.407 -3.782 312 HD23 LEU 42 HD23 LEU 42 7.313 -7.700 -4.958 313 H SER 43 H SER 43 3.358 -10.654 -6.516 314 HA SER 43 HA SER 43 1.999 -10.188 -8.987 315 HB2 SER 43 HB2 SER 43 1.750 -12.590 -9.121 316 HB3 SER 43 HB3 SER 43 3.354 -12.236 -8.484 317 HG SER 43 HG SER 43 2.059 -13.918 -7.383 318 H THR 44 H THR 44 0.983 -9.843 -5.872 319 HA THR 44 HA THR 44 -1.858 -10.247 -6.553 320 HB THR 44 HB THR 44 -2.336 -10.403 -4.160 321 HG1 THR 44 HG1 THR 44 0.098 -10.747 -3.125 322 HG21 THR 44 HG21 THR 44 -0.071 -12.240 -4.924 323 HG22 THR 44 HG22 THR 44 -1.776 -12.487 -5.316 324 HG23 THR 44 HG23 THR 44 -1.242 -12.528 -3.633 325 H ILE 45 H ILE 45 0.323 -7.960 -6.684 326 HA ILE 45 HA ILE 45 -1.304 -5.795 -5.510 327 HB ILE 45 HB ILE 45 1.682 -5.986 -5.954 328 HG12 ILE 45 HG12 ILE 45 0.854 -7.055 -3.891 329 HG13 ILE 45 HG13 ILE 45 1.884 -5.682 -3.541 330 HG21 ILE 45 HG21 ILE 45 0.305 -3.526 -4.902 331 HG22 ILE 45 HG22 ILE 45 0.811 -3.720 -6.578 332 HG23 ILE 45 HG23 ILE 45 2.015 -3.738 -5.291 333 HD11 ILE 45 HD11 ILE 45 -0.073 -4.342 -2.966 334 HD12 ILE 45 HD12 ILE 45 -0.021 -5.827 -2.016 335 HD13 ILE 45 HD13 ILE 45 -1.126 -5.697 -3.374 336 H ASP 46 H ASP 46 -1.930 -4.127 -6.802 337 HA ASP 46 HA ASP 46 -1.383 -4.423 -9.680 338 HB2 ASP 46 HB2 ASP 46 -3.732 -4.742 -9.000 339 HB3 ASP 46 HB3 ASP 46 -3.760 -3.140 -8.298 340 H LYS 47 H LYS 47 -1.661 -2.010 -7.076 341 HA LYS 47 HA LYS 47 -0.176 -0.116 -8.753 342 HB2 LYS 47 HB2 LYS 47 -2.724 0.330 -7.241 343 HB3 LYS 47 HB3 LYS 47 -1.638 1.668 -7.534 344 HG2 LYS 47 HG2 LYS 47 -2.288 1.860 -9.655 345 HG3 LYS 47 HG3 LYS 47 -2.199 0.127 -9.905 346 HD2 LYS 47 HD2 LYS 47 -4.382 -0.153 -8.822 347 HD3 LYS 47 HD3 LYS 47 -4.477 1.589 -8.595 348 HE2 LYS 47 HE2 LYS 47 -4.480 1.933 -10.988 349 HE3 LYS 47 HE3 LYS 47 -4.310 0.201 -11.264 350 HZ1 LYS 47 HZ1 LYS 47 -6.625 1.545 -9.968 351 HZ2 LYS 47 HZ2 LYS 47 -6.473 -0.123 -10.204 352 HZ3 LYS 47 HZ3 LYS 47 -6.602 0.910 -11.537 353 H LEU 48 H LEU 48 0.625 1.813 -7.457 354 HA LEU 48 HA LEU 48 1.181 1.365 -4.625 355 HB2 LEU 48 HB2 LEU 48 3.706 2.124 -5.509 356 HB3 LEU 48 HB3 LEU 48 3.267 0.535 -4.936 357 HG LEU 48 HG LEU 48 2.680 0.009 -7.370 358 HD11 LEU 48 HD11 LEU 48 2.997 1.549 -8.935 359 HD12 LEU 48 HD12 LEU 48 4.676 1.752 -8.424 360 HD13 LEU 48 HD13 LEU 48 3.400 2.722 -7.683 361 HD21 LEU 48 HD21 LEU 48 5.531 0.546 -6.600 362 HD22 LEU 48 HD22 LEU 48 4.949 -0.598 -7.813 363 HD23 LEU 48 HD23 LEU 48 4.589 -0.869 -6.110 364 H GLN 49 H GLN 49 1.031 3.333 -3.619 365 HA GLN 49 HA GLN 49 1.473 5.755 -5.244 366 HB2 GLN 49 HB2 GLN 49 -0.835 5.281 -3.318 367 HB3 GLN 49 HB3 GLN 49 -0.438 6.834 -4.033 368 HG2 GLN 49 HG2 GLN 49 -0.919 6.027 -6.237 369 HG3 GLN 49 HG3 GLN 49 -1.151 4.386 -5.644 370 HE21 GLN 49 HE21 GLN 49 -3.088 5.464 -7.145 371 HE22 GLN 49 HE22 GLN 49 -4.466 5.875 -6.188 372 H ALA 50 H ALA 50 3.048 6.968 -4.428 373 HA ALA 50 HA ALA 50 3.638 6.830 -1.542 374 HB1 ALA 50 HB1 ALA 50 5.940 7.425 -2.148 375 HB2 ALA 50 HB2 ALA 50 5.466 7.460 -3.849 376 HB3 ALA 50 HB3 ALA 50 5.404 5.947 -2.945 377 H THR 51 H THR 51 4.506 8.768 -0.508 378 HA THR 51 HA THR 51 3.055 11.169 -1.171 379 HB THR 51 HB THR 51 4.219 12.178 0.792 380 HG1 THR 51 HG1 THR 51 6.065 11.224 1.247 381 HG21 THR 51 HG21 THR 51 2.780 9.536 1.104 382 HG22 THR 51 HG22 THR 51 2.158 11.169 1.362 383 HG23 THR 51 HG23 THR 51 3.306 10.469 2.503 384 HA PRO 52 HA PRO 52 6.294 12.908 -3.921 385 HB2 PRO 52 HB2 PRO 52 4.851 15.422 -3.329 386 HB3 PRO 52 HB3 PRO 52 5.276 14.714 -4.887 387 HG2 PRO 52 HG2 PRO 52 2.810 14.652 -3.950 388 HG3 PRO 52 HG3 PRO 52 3.396 13.451 -4.889 389 HD2 PRO 52 HD2 PRO 52 2.892 13.377 -2.077 390 HD3 PRO 52 HD3 PRO 52 2.855 12.129 -3.131 391 H ALA 53 H ALA 53 7.886 14.651 -3.788 392 HA ALA 53 HA ALA 53 9.022 14.927 -1.180 393 HB1 ALA 53 HB1 ALA 53 10.822 16.104 -2.291 394 HB2 ALA 53 HB2 ALA 53 9.847 16.266 -3.751 395 HB3 ALA 53 HB3 ALA 53 10.379 14.671 -3.220 396 H SER 54 H SER 54 6.690 16.711 -2.850 397 HA SER 54 HA SER 54 7.177 19.163 -1.333 398 HB2 SER 54 HB2 SER 54 5.516 20.198 -2.766 399 HB3 SER 54 HB3 SER 54 6.709 19.353 -3.738 400 HG SER 54 HG SER 54 4.184 18.296 -3.014 401 H SER 55 H SER 55 5.478 16.283 -1.060 402 HA SER 55 HA SER 55 3.129 17.242 0.262 403 HB2 SER 55 HB2 SER 55 2.962 15.194 -0.917 404 HB3 SER 55 HB3 SER 55 4.304 14.485 -0.019 405 HG SER 55 HG SER 55 2.935 14.845 1.887 406 H GLU 56 H GLU 56 2.671 17.417 2.360 407 HA GLU 56 HA GLU 56 4.632 17.786 4.337 408 HB2 GLU 56 HB2 GLU 56 1.772 17.064 4.873 409 HB3 GLU 56 HB3 GLU 56 2.829 18.046 5.869 410 HG2 GLU 56 HG2 GLU 56 1.300 19.508 4.815 411 HG3 GLU 56 HG3 GLU 56 2.853 19.725 4.013 412 H LYS 57 H LYS 57 3.308 14.968 3.089 413 HA LYS 57 HA LYS 57 3.595 13.380 5.501 414 HB2 LYS 57 HB2 LYS 57 2.281 12.949 2.847 415 HB3 LYS 57 HB3 LYS 57 2.490 11.672 3.999 416 HG2 LYS 57 HG2 LYS 57 1.263 13.306 5.594 417 HG3 LYS 57 HG3 LYS 57 0.720 14.036 4.101 418 HD2 LYS 57 HD2 LYS 57 0.002 11.686 3.436 419 HD3 LYS 57 HD3 LYS 57 0.186 11.292 5.150 420 HE2 LYS 57 HE2 LYS 57 -1.518 13.529 4.057 421 HE3 LYS 57 HE3 LYS 57 -2.102 11.935 4.558 422 HZ1 LYS 57 HZ1 LYS 57 -0.751 13.902 6.328 423 HZ2 LYS 57 HZ2 LYS 57 -1.324 12.381 6.794 424 HZ3 LYS 57 HZ3 LYS 57 -2.412 13.579 6.305 425 H MET 58 H MET 58 4.671 11.406 5.524 426 HA MET 58 HA MET 58 6.315 10.741 3.198 427 HB2 MET 58 HB2 MET 58 7.241 10.687 6.067 428 HB3 MET 58 HB3 MET 58 8.112 9.956 4.742 429 HG2 MET 58 HG2 MET 58 8.356 12.122 3.664 430 HG3 MET 58 HG3 MET 58 7.415 12.882 4.946 431 HE1 MET 58 HE1 MET 58 9.699 12.902 7.972 432 HE2 MET 58 HE2 MET 58 8.163 12.144 7.530 433 HE3 MET 58 HE3 MET 58 8.471 13.825 7.104 434 H MET 59 H MET 59 5.320 9.059 2.443 435 HA MET 59 HA MET 59 4.872 6.681 3.984 436 HB2 MET 59 HB2 MET 59 2.541 8.257 2.911 437 HB3 MET 59 HB3 MET 59 2.423 6.611 3.471 438 HG2 MET 59 HG2 MET 59 2.961 7.280 5.684 439 HG3 MET 59 HG3 MET 59 3.294 8.926 5.189 440 HE1 MET 59 HE1 MET 59 1.588 8.541 7.689 441 HE2 MET 59 HE2 MET 59 -0.003 9.259 7.452 442 HE3 MET 59 HE3 MET 59 1.456 10.157 7.002 443 H LEU 60 H LEU 60 4.231 4.876 2.710 444 HA LEU 60 HA LEU 60 4.240 5.237 -0.201 445 HB2 LEU 60 HB2 LEU 60 6.491 4.593 0.339 446 HB3 LEU 60 HB3 LEU 60 5.937 3.328 1.409 447 HG LEU 60 HG LEU 60 5.075 2.089 -0.555 448 HD11 LEU 60 HD11 LEU 60 6.467 4.185 -2.184 449 HD12 LEU 60 HD12 LEU 60 4.719 4.034 -1.981 450 HD13 LEU 60 HD13 LEU 60 5.623 2.743 -2.767 451 HD21 LEU 60 HD21 LEU 60 7.276 1.499 0.212 452 HD22 LEU 60 HD22 LEU 60 7.983 2.849 -0.680 453 HD23 LEU 60 HD23 LEU 60 7.245 1.497 -1.557 454 H ARG 61 H ARG 61 2.431 4.362 -0.995 455 HA ARG 61 HA ARG 61 1.039 2.368 0.642 456 HB2 ARG 61 HB2 ARG 61 0.064 4.477 -1.241 457 HB3 ARG 61 HB3 ARG 61 -0.928 3.062 -0.963 458 HG2 ARG 61 HG2 ARG 61 -0.642 3.571 1.517 459 HG3 ARG 61 HG3 ARG 61 -0.089 5.157 0.993 460 HD2 ARG 61 HD2 ARG 61 -2.209 5.540 -0.138 461 HD3 ARG 61 HD3 ARG 61 -2.741 3.914 0.276 462 HE ARG 61 HE ARG 61 -2.807 6.228 1.950 463 HH11 ARG 61 HH11 ARG 61 -2.506 2.728 2.051 464 HH12 ARG 61 HH12 ARG 61 -3.166 2.600 3.647 465 HH21 ARG 61 HH21 ARG 61 -3.687 6.030 4.037 466 HH22 ARG 61 HH22 ARG 61 -3.834 4.467 4.767 467 H LEU 62 H LEU 62 0.247 0.503 -0.172 468 HA LEU 62 HA LEU 62 1.164 -0.322 -2.847 469 HB2 LEU 62 HB2 LEU 62 1.139 -1.954 -0.306 470 HB3 LEU 62 HB3 LEU 62 1.580 -2.552 -1.885 471 HG LEU 62 HG LEU 62 3.126 -0.622 -0.157 472 HD11 LEU 62 HD11 LEU 62 3.280 -2.933 0.507 473 HD12 LEU 62 HD12 LEU 62 4.815 -2.354 -0.142 474 HD13 LEU 62 HD13 LEU 62 3.771 -3.384 -1.127 475 HD21 LEU 62 HD21 LEU 62 3.925 -1.591 -2.901 476 HD22 LEU 62 HD22 LEU 62 4.845 -0.530 -1.833 477 HD23 LEU 62 HD23 LEU 62 3.328 0.026 -2.542 478 H ILE 63 H ILE 63 -0.601 -0.521 -4.036 479 HA ILE 63 HA ILE 63 -3.199 -1.056 -2.850 480 HB ILE 63 HB ILE 63 -2.502 -0.478 -5.730 481 HG12 ILE 63 HG12 ILE 63 -2.707 1.345 -3.445 482 HG13 ILE 63 HG13 ILE 63 -1.930 1.584 -4.992 483 HG21 ILE 63 HG21 ILE 63 -5.143 -0.203 -4.316 484 HG22 ILE 63 HG22 ILE 63 -4.722 -1.440 -5.503 485 HG23 ILE 63 HG23 ILE 63 -4.814 0.255 -5.992 486 HD11 ILE 63 HD11 ILE 63 -4.844 1.933 -4.386 487 HD12 ILE 63 HD12 ILE 63 -4.109 2.104 -5.983 488 HD13 ILE 63 HD13 ILE 63 -3.656 3.204 -4.686 489 H GLY 64 H GLY 64 -4.399 -2.885 -3.116 490 HA2 GLY 64 HA2 GLY 64 -2.936 -5.239 -4.009 491 HA3 GLY 64 HA3 GLY 64 -4.391 -5.230 -3.036 492 H LYS 65 H LYS 65 -3.930 -6.953 -5.190 493 HA LYS 65 HA LYS 65 -5.415 -6.008 -7.475 494 HB2 LYS 65 HB2 LYS 65 -3.512 -7.535 -7.742 495 HB3 LYS 65 HB3 LYS 65 -4.394 -8.764 -6.841 496 HG2 LYS 65 HG2 LYS 65 -6.074 -8.878 -8.529 497 HG3 LYS 65 HG3 LYS 65 -5.340 -7.541 -9.414 498 HD2 LYS 65 HD2 LYS 65 -3.298 -8.904 -9.702 499 HD3 LYS 65 HD3 LYS 65 -4.123 -10.254 -8.928 500 HE2 LYS 65 HE2 LYS 65 -4.248 -10.528 -11.317 501 HE3 LYS 65 HE3 LYS 65 -5.854 -10.129 -10.719 502 HZ1 LYS 65 HZ1 LYS 65 -5.321 -8.909 -12.726 503 HZ2 LYS 65 HZ2 LYS 65 -3.952 -8.238 -11.994 504 HZ3 LYS 65 HZ3 LYS 65 -5.494 -7.844 -11.423 505 H VAL 66 H VAL 66 -7.480 -5.885 -7.458 506 HA VAL 66 HA VAL 66 -9.086 -7.943 -6.121 507 HB VAL 66 HB VAL 66 -9.276 -4.978 -5.885 508 HG11 VAL 66 HG11 VAL 66 -11.480 -5.566 -6.875 509 HG12 VAL 66 HG12 VAL 66 -11.580 -4.926 -5.233 510 HG13 VAL 66 HG13 VAL 66 -11.749 -6.662 -5.518 511 HG21 VAL 66 HG21 VAL 66 -8.373 -6.146 -4.041 512 HG22 VAL 66 HG22 VAL 66 -9.673 -7.335 -4.068 513 HG23 VAL 66 HG23 VAL 66 -10.010 -5.682 -3.573 514 H ASP 67 H ASP 67 -10.998 -8.564 -7.082 515 HA ASP 67 HA ASP 67 -11.267 -7.942 -9.928 516 HB2 ASP 67 HB2 ASP 67 -11.237 -10.333 -9.213 517 HB3 ASP 67 HB3 ASP 67 -12.711 -10.049 -8.293 518 H GLU 68 H GLU 68 -12.367 -6.121 -10.223 519 HA GLU 68 HA GLU 68 -14.523 -5.334 -8.456 520 HB2 GLU 68 HB2 GLU 68 -13.130 -3.995 -10.764 521 HB3 GLU 68 HB3 GLU 68 -14.579 -3.308 -10.043 522 HG2 GLU 68 HG2 GLU 68 -13.452 -3.186 -7.878 523 HG3 GLU 68 HG3 GLU 68 -11.997 -3.883 -8.591 524 H SER 69 H SER 69 -14.394 -7.347 -11.051 525 HA SER 69 HA SER 69 -16.805 -6.553 -12.415 526 HB2 SER 69 HB2 SER 69 -16.400 -8.329 -13.889 527 HB3 SER 69 HB3 SER 69 -14.781 -7.837 -13.398 528 HG SER 69 HG SER 69 -15.642 -9.643 -11.657 529 H LYS 70 H LYS 70 -16.028 -8.568 -9.694 530 HA LYS 70 HA LYS 70 -18.494 -10.043 -9.728 531 HB2 LYS 70 HB2 LYS 70 -16.253 -9.848 -7.736 532 HB3 LYS 70 HB3 LYS 70 -17.656 -10.856 -7.487 533 HG2 LYS 70 HG2 LYS 70 -17.078 -12.129 -9.502 534 HG3 LYS 70 HG3 LYS 70 -15.659 -11.118 -9.733 535 HD2 LYS 70 HD2 LYS 70 -14.765 -11.906 -7.574 536 HD3 LYS 70 HD3 LYS 70 -16.179 -12.940 -7.379 537 HE2 LYS 70 HE2 LYS 70 -15.536 -14.116 -9.479 538 HE3 LYS 70 HE3 LYS 70 -14.066 -13.145 -9.526 539 HZ1 LYS 70 HZ1 LYS 70 -13.663 -15.311 -8.540 540 HZ2 LYS 70 HZ2 LYS 70 -14.833 -15.019 -7.352 541 HZ3 LYS 70 HZ3 LYS 70 -13.421 -14.089 -7.395 542 H LYS 71 H LYS 71 -20.314 -9.587 -8.693 543 HA LYS 71 HA LYS 71 -20.497 -7.069 -7.214 544 HB2 LYS 71 HB2 LYS 71 -22.675 -8.818 -8.386 545 HB3 LYS 71 HB3 LYS 71 -22.964 -7.334 -7.501 546 HG2 LYS 71 HG2 LYS 71 -21.689 -6.109 -9.221 547 HG3 LYS 71 HG3 LYS 71 -21.567 -7.605 -10.143 548 HD2 LYS 71 HD2 LYS 71 -23.989 -7.725 -10.319 549 HD3 LYS 71 HD3 LYS 71 -24.156 -6.282 -9.315 550 HE2 LYS 71 HE2 LYS 71 -22.689 -6.351 -11.929 551 HE3 LYS 71 HE3 LYS 71 -24.389 -5.906 -11.786 552 HZ1 LYS 71 HZ1 LYS 71 -23.729 -4.078 -10.321 553 HZ2 LYS 71 HZ2 LYS 71 -22.988 -3.943 -11.836 554 HZ3 LYS 71 HZ3 LYS 71 -22.101 -4.497 -10.507 555 H ARG 72 H ARG 72 -20.718 -6.995 -5.084 556 HA ARG 72 HA ARG 72 -21.574 -9.421 -3.642 557 HB2 ARG 72 HB2 ARG 72 -19.301 -8.744 -3.069 558 HB3 ARG 72 HB3 ARG 72 -19.829 -7.106 -2.748 559 HG2 ARG 72 HG2 ARG 72 -21.021 -7.810 -0.787 560 HG3 ARG 72 HG3 ARG 72 -20.720 -9.505 -1.158 561 HD2 ARG 72 HD2 ARG 72 -19.068 -9.135 0.382 562 HD3 ARG 72 HD3 ARG 72 -18.204 -8.725 -1.099 563 HE ARG 72 HE ARG 72 -18.302 -6.464 -0.517 564 HH11 ARG 72 HH11 ARG 72 -19.920 -8.420 1.913 565 HH12 ARG 72 HH12 ARG 72 -19.931 -7.151 3.092 566 HH21 ARG 72 HH21 ARG 72 -18.332 -4.818 1.038 567 HH22 ARG 72 HH22 ARG 72 -19.031 -5.114 2.595 568 H LYS 73 H LYS 73 -23.050 -9.159 -1.884 569 HA LYS 73 HA LYS 73 -24.438 -6.565 -1.743 570 HB2 LYS 73 HB2 LYS 73 -26.583 -7.668 -1.514 571 HB3 LYS 73 HB3 LYS 73 -25.819 -8.198 -3.000 572 HG2 LYS 73 HG2 LYS 73 -25.109 -10.262 -1.903 573 HG3 LYS 73 HG3 LYS 73 -25.914 -9.732 -0.432 574 HD2 LYS 73 HD2 LYS 73 -28.046 -9.652 -1.670 575 HD3 LYS 73 HD3 LYS 73 -27.215 -10.293 -3.088 576 HE2 LYS 73 HE2 LYS 73 -28.339 -12.093 -1.926 577 HE3 LYS 73 HE3 LYS 73 -26.591 -12.288 -1.792 578 HZ1 LYS 73 HZ1 LYS 73 -27.715 -12.719 0.311 579 HZ2 LYS 73 HZ2 LYS 73 -28.357 -11.155 0.313 580 HZ3 LYS 73 HZ3 LYS 73 -26.687 -11.381 0.437 581 H ASP 74 H ASP 74 -25.018 -5.892 0.282 582 HA ASP 74 HA ASP 74 -23.680 -7.158 2.497 583 HB2 ASP 74 HB2 ASP 74 -24.305 -5.175 3.777 584 HB3 ASP 74 HB3 ASP 74 -23.634 -4.706 2.222 585 H ASN 75 H ASN 75 -25.220 -6.790 4.722 586 HA ASN 75 HA ASN 75 -26.796 -9.106 4.754 587 HB2 ASN 75 HB2 ASN 75 -26.661 -6.789 6.684 588 HB3 ASN 75 HB3 ASN 75 -27.604 -8.241 6.995 589 HD21 ASN 75 HD21 ASN 75 -25.520 -7.344 8.626 590 HD22 ASN 75 HD22 ASN 75 -24.241 -8.504 8.570 591 H GLU 76 H GLU 76 -27.734 -5.753 4.203 592 HA GLU 76 HA GLU 76 -30.555 -6.187 4.387 593 HB2 GLU 76 HB2 GLU 76 -28.879 -3.952 3.250 594 HB3 GLU 76 HB3 GLU 76 -30.636 -3.905 3.291 595 HG2 GLU 76 HG2 GLU 76 -30.579 -4.089 5.730 596 HG3 GLU 76 HG3 GLU 76 -28.824 -4.114 5.686 597 H GLY 77 H GLY 77 -28.193 -6.350 1.789 598 HA2 GLY 77 HA2 GLY 77 -28.647 -7.779 -0.104 599 HA3 GLY 77 HA3 GLY 77 -30.322 -7.272 -0.033 600 H ASN 78 H ASN 78 -28.080 -4.732 0.417 601 HA ASN 78 HA ASN 78 -28.687 -3.611 -2.194 602 HB2 ASN 78 HB2 ASN 78 -27.093 -2.501 0.131 603 HB3 ASN 78 HB3 ASN 78 -27.441 -1.620 -1.351 604 HD21 ASN 78 HD21 ASN 78 -28.335 -1.911 1.736 605 HD22 ASN 78 HD22 ASN 78 -29.993 -1.438 1.633 606 H GLU 79 H GLU 79 -27.101 -2.935 -3.712 607 HA GLU 79 HA GLU 79 -25.078 -4.927 -4.072 608 HB2 GLU 79 HB2 GLU 79 -24.661 -3.704 -6.224 609 HB3 GLU 79 HB3 GLU 79 -26.291 -4.286 -5.981 610 HG2 GLU 79 HG2 GLU 79 -25.495 -1.469 -5.409 611 HG3 GLU 79 HG3 GLU 79 -26.087 -1.996 -6.982 612 H VAL 80 H VAL 80 -23.264 -4.845 -3.021 613 HA VAL 80 HA VAL 80 -21.788 -2.302 -2.858 614 HB VAL 80 HB VAL 80 -21.663 -4.620 -0.909 615 HG11 VAL 80 HG11 VAL 80 -20.108 -3.223 0.380 616 HG12 VAL 80 HG12 VAL 80 -20.118 -2.037 -0.923 617 HG13 VAL 80 HG13 VAL 80 -19.465 -3.650 -1.207 618 HG21 VAL 80 HG21 VAL 80 -22.536 -3.084 0.763 619 HG22 VAL 80 HG22 VAL 80 -23.661 -3.212 -0.595 620 HG23 VAL 80 HG23 VAL 80 -22.619 -1.798 -0.439 621 H VAL 81 H VAL 81 -20.003 -2.240 -4.079 622 HA VAL 81 HA VAL 81 -19.037 -4.759 -5.183 623 HB VAL 81 HB VAL 81 -18.407 -1.951 -6.054 624 HG11 VAL 81 HG11 VAL 81 -16.519 -3.412 -6.449 625 HG12 VAL 81 HG12 VAL 81 -17.283 -2.974 -7.978 626 HG13 VAL 81 HG13 VAL 81 -17.565 -4.569 -7.275 627 HG21 VAL 81 HG21 VAL 81 -19.673 -2.474 -8.097 628 HG22 VAL 81 HG22 VAL 81 -20.692 -2.586 -6.661 629 HG23 VAL 81 HG23 VAL 81 -20.088 -4.054 -7.430 630 HA PRO 82 HA PRO 82 -15.602 -4.690 -2.298 631 HB2 PRO 82 HB2 PRO 82 -13.993 -6.539 -3.464 632 HB3 PRO 82 HB3 PRO 82 -15.440 -6.969 -2.550 633 HG2 PRO 82 HG2 PRO 82 -15.149 -6.706 -5.454 634 HG3 PRO 82 HG3 PRO 82 -15.870 -7.909 -4.617 635 HD2 PRO 82 HD2 PRO 82 -17.330 -6.064 -5.662 636 HD3 PRO 82 HD3 PRO 82 -17.729 -6.652 -4.192 637 H LYS 83 H LYS 83 -14.080 -3.276 -2.100 638 HA LYS 83 HA LYS 83 -12.667 -2.255 -4.444 639 HB2 LYS 83 HB2 LYS 83 -12.896 -1.096 -1.668 640 HB3 LYS 83 HB3 LYS 83 -12.013 -0.345 -2.981 641 HG2 LYS 83 HG2 LYS 83 -14.965 -0.896 -2.985 642 HG3 LYS 83 HG3 LYS 83 -14.229 0.640 -2.582 643 HD2 LYS 83 HD2 LYS 83 -13.217 0.694 -4.865 644 HD3 LYS 83 HD3 LYS 83 -14.137 -0.757 -5.249 645 HE2 LYS 83 HE2 LYS 83 -16.226 0.454 -4.831 646 HE3 LYS 83 HE3 LYS 83 -15.298 1.901 -4.430 647 HZ1 LYS 83 HZ1 LYS 83 -16.131 1.974 -6.701 648 HZ2 LYS 83 HZ2 LYS 83 -15.319 0.537 -7.071 649 HZ3 LYS 83 HZ3 LYS 83 -14.439 1.930 -6.690 650 HA PRO 84 HA PRO 84 -8.760 -4.078 -3.305 651 HB2 PRO 84 HB2 PRO 84 -6.936 -2.288 -4.146 652 HB3 PRO 84 HB3 PRO 84 -7.844 -3.312 -5.258 653 HG2 PRO 84 HG2 PRO 84 -8.277 -0.499 -4.602 654 HG3 PRO 84 HG3 PRO 84 -8.380 -1.235 -6.056 655 HD2 PRO 84 HD2 PRO 84 -10.641 -0.787 -4.582 656 HD3 PRO 84 HD3 PRO 84 -10.569 -2.054 -5.609 657 H GLN 85 H GLN 85 -7.248 -4.156 -1.782 658 HA GLN 85 HA GLN 85 -7.389 -2.172 0.360 659 HB2 GLN 85 HB2 GLN 85 -6.183 -4.945 0.279 660 HB3 GLN 85 HB3 GLN 85 -6.115 -3.882 1.679 661 HG2 GLN 85 HG2 GLN 85 -8.543 -3.894 1.831 662 HG3 GLN 85 HG3 GLN 85 -8.640 -4.899 0.394 663 HE21 GLN 85 HE21 GLN 85 -9.949 -6.186 2.048 664 HE22 GLN 85 HE22 GLN 85 -9.081 -7.359 2.973 665 H ARG 86 H ARG 86 -5.673 -0.998 1.089 666 HA ARG 86 HA ARG 86 -3.270 -1.011 -0.646 667 HB2 ARG 86 HB2 ARG 86 -4.511 1.350 0.795 668 HB3 ARG 86 HB3 ARG 86 -3.098 1.399 -0.246 669 HG2 ARG 86 HG2 ARG 86 -4.497 0.722 -2.150 670 HG3 ARG 86 HG3 ARG 86 -5.904 0.706 -1.096 671 HD2 ARG 86 HD2 ARG 86 -5.338 3.134 -0.568 672 HD3 ARG 86 HD3 ARG 86 -4.255 3.067 -1.955 673 HE ARG 86 HE ARG 86 -6.647 2.146 -2.903 674 HH11 ARG 86 HH11 ARG 86 -5.638 5.126 -1.337 675 HH12 ARG 86 HH12 ARG 86 -6.850 6.082 -2.120 676 HH21 ARG 86 HH21 ARG 86 -8.223 3.418 -3.919 677 HH22 ARG 86 HH22 ARG 86 -8.312 5.116 -3.581 678 H HIS 87 H HIS 87 -1.285 -1.101 0.325 679 HA HIS 87 HA HIS 87 -1.186 -1.213 3.270 680 HB2 HIS 87 HB2 HIS 87 0.752 -2.387 1.266 681 HB3 HIS 87 HB3 HIS 87 0.858 -2.555 3.008 682 HD1 HIS 87 HD1 HIS 87 -1.168 -3.971 4.114 683 HD2 HIS 87 HD2 HIS 87 -0.678 -4.316 -0.000 684 HE1 HIS 87 HE1 HIS 87 -2.384 -6.074 3.465 685 HE2 HIS 87 HE2 HIS 87 -2.151 -6.215 0.961 686 H MET 88 H MET 88 -0.430 0.584 4.203 687 HA MET 88 HA MET 88 1.324 2.388 2.680 688 HB2 MET 88 HB2 MET 88 -0.811 3.291 3.593 689 HB3 MET 88 HB3 MET 88 -0.258 2.900 5.199 690 HG2 MET 88 HG2 MET 88 1.569 4.512 5.000 691 HG3 MET 88 HG3 MET 88 1.038 4.882 3.373 692 HE1 MET 88 HE1 MET 88 0.384 5.415 7.168 693 HE2 MET 88 HE2 MET 88 -0.861 4.249 6.711 694 HE3 MET 88 HE3 MET 88 -1.319 5.884 7.173 695 H PHE 89 H PHE 89 3.279 3.062 3.391 696 HA PHE 89 HA PHE 89 4.295 2.103 5.982 697 HB2 PHE 89 HB2 PHE 89 5.732 1.893 3.328 698 HB3 PHE 89 HB3 PHE 89 6.511 1.667 4.877 699 HD1 PHE 89 HD1 PHE 89 4.296 0.213 2.385 700 HD2 PHE 89 HD2 PHE 89 6.112 -0.330 6.190 701 HE1 PHE 89 HE1 PHE 89 3.728 -2.176 2.286 702 HE2 PHE 89 HE2 PHE 89 5.537 -2.722 6.121 703 HZ PHE 89 HZ PHE 89 4.348 -3.649 4.172 704 H SER 90 H SER 90 5.256 3.750 7.105 705 HA SER 90 HA SER 90 5.577 6.322 5.811 706 HB2 SER 90 HB2 SER 90 5.723 5.390 8.633 707 HB3 SER 90 HB3 SER 90 6.362 6.972 8.204 708 HG SER 90 HG SER 90 4.342 7.532 8.470 709 H PHE 91 H PHE 91 7.447 7.517 5.654 710 HA PHE 91 HA PHE 91 9.970 5.984 5.735 711 HB2 PHE 91 HB2 PHE 91 8.630 7.379 3.467 712 HB3 PHE 91 HB3 PHE 91 10.382 7.436 3.531 713 HD1 PHE 91 HD1 PHE 91 7.516 5.072 3.586 714 HD2 PHE 91 HD2 PHE 91 11.628 5.671 2.657 715 HE1 PHE 91 HE1 PHE 91 7.608 2.833 2.564 716 HE2 PHE 91 HE2 PHE 91 11.713 3.435 1.636 717 HZ PHE 91 HZ PHE 91 9.700 2.063 1.495 718 H ASN 92 H ASN 92 11.880 7.522 5.240 719 HA ASN 92 HA ASN 92 11.481 10.066 6.653 720 HB2 ASN 92 HB2 ASN 92 13.830 8.174 6.914 721 HB3 ASN 92 HB3 ASN 92 13.796 9.794 7.586 722 HD21 ASN 92 HD21 ASN 92 13.165 6.564 8.137 723 HD22 ASN 92 HD22 ASN 92 12.262 6.712 9.602 724 H ASN 93 H ASN 93 12.587 8.588 3.787 725 HA ASN 93 HA ASN 93 13.619 11.123 2.809 726 HB2 ASN 93 HB2 ASN 93 15.609 9.857 3.732 727 HB3 ASN 93 HB3 ASN 93 15.316 8.633 2.501 728 HD21 ASN 93 HD21 ASN 93 17.716 9.900 2.617 729 HD22 ASN 93 HD22 ASN 93 17.897 10.965 1.270 730 H ARG 94 H ARG 94 12.780 11.494 0.902 731 HA ARG 94 HA ARG 94 11.213 9.818 -0.642 732 HB2 ARG 94 HB2 ARG 94 11.333 11.484 -2.356 733 HB3 ARG 94 HB3 ARG 94 11.294 12.282 -0.799 734 HG2 ARG 94 HG2 ARG 94 13.729 12.597 -0.960 735 HG3 ARG 94 HG3 ARG 94 13.685 11.866 -2.561 736 HD2 ARG 94 HD2 ARG 94 12.163 13.639 -3.312 737 HD3 ARG 94 HD3 ARG 94 12.251 14.344 -1.720 738 HE ARG 94 HE ARG 94 14.329 15.208 -2.204 739 HH11 ARG 94 HH11 ARG 94 13.437 12.953 -4.750 740 HH12 ARG 94 HH12 ARG 94 14.739 13.436 -5.786 741 HH21 ARG 94 HH21 ARG 94 16.022 15.818 -3.578 742 HH22 ARG 94 HH22 ARG 94 16.199 15.054 -5.122 743 H THR 95 H THR 95 14.671 9.948 -0.542 744 HA THR 95 HA THR 95 15.169 8.902 -3.156 745 HB THR 95 HB THR 95 17.487 8.535 -2.352 746 HG1 THR 95 HG1 THR 95 16.228 8.754 0.086 747 HG21 THR 95 HG21 THR 95 16.866 10.785 -3.128 748 HG22 THR 95 HG22 THR 95 18.055 10.868 -1.829 749 HG23 THR 95 HG23 THR 95 16.358 11.210 -1.494 750 H VAL 96 H VAL 96 14.673 7.458 0.042 751 HA VAL 96 HA VAL 96 15.297 4.778 -0.806 752 HB VAL 96 HB VAL 96 13.688 5.593 1.639 753 HG11 VAL 96 HG11 VAL 96 13.541 3.187 0.921 754 HG12 VAL 96 HG12 VAL 96 14.194 3.433 2.537 755 HG13 VAL 96 HG13 VAL 96 15.277 3.065 1.195 756 HG21 VAL 96 HG21 VAL 96 15.914 6.648 1.646 757 HG22 VAL 96 HG22 VAL 96 16.654 5.059 1.455 758 HG23 VAL 96 HG23 VAL 96 15.748 5.438 2.921 759 H MET 97 H MET 97 12.177 6.305 0.151 760 HA MET 97 HA MET 97 10.425 4.344 -0.669 761 HB2 MET 97 HB2 MET 97 9.667 6.193 0.617 762 HB3 MET 97 HB3 MET 97 10.049 7.347 -0.629 763 HG2 MET 97 HG2 MET 97 8.251 6.343 -1.971 764 HG3 MET 97 HG3 MET 97 7.932 5.253 -0.635 765 HE1 MET 97 HE1 MET 97 9.043 8.945 -0.040 766 HE2 MET 97 HE2 MET 97 7.503 9.807 -0.066 767 HE3 MET 97 HE3 MET 97 8.143 9.102 -1.544 768 H ASP 98 H ASP 98 12.096 6.643 -2.758 769 HA ASP 98 HA ASP 98 10.558 5.839 -5.091 770 HB2 ASP 98 HB2 ASP 98 12.980 7.606 -4.675 771 HB3 ASP 98 HB3 ASP 98 12.434 7.163 -6.286 772 H ASN 99 H ASN 99 13.536 4.852 -3.534 773 HA ASN 99 HA ASN 99 14.459 3.254 -5.751 774 HB2 ASN 99 HB2 ASN 99 15.466 4.000 -3.123 775 HB3 ASN 99 HB3 ASN 99 15.752 2.304 -3.477 776 HD21 ASN 99 HD21 ASN 99 17.223 5.112 -3.510 777 HD22 ASN 99 HD22 ASN 99 18.260 4.946 -4.881 778 H ILE 100 H ILE 100 12.526 2.695 -2.853 779 HA ILE 100 HA ILE 100 12.387 -0.160 -3.178 780 HB ILE 100 HB ILE 100 10.580 1.702 -1.597 781 HG12 ILE 100 HG12 ILE 100 12.804 1.745 -0.643 782 HG13 ILE 100 HG13 ILE 100 11.756 0.853 0.420 783 HG21 ILE 100 HG21 ILE 100 9.565 -0.121 -0.530 784 HG22 ILE 100 HG22 ILE 100 10.763 -1.260 -1.148 785 HG23 ILE 100 HG23 ILE 100 9.583 -0.548 -2.241 786 HD11 ILE 100 HD11 ILE 100 13.937 -0.159 0.319 787 HD12 ILE 100 HD12 ILE 100 13.829 -0.294 -1.436 788 HD13 ILE 100 HD13 ILE 100 12.747 -1.238 -0.412 789 H LYS 101 H LYS 101 10.052 2.497 -3.758 790 HA LYS 101 HA LYS 101 8.022 1.125 -5.029 791 HB2 LYS 101 HB2 LYS 101 7.838 3.432 -4.272 792 HB3 LYS 101 HB3 LYS 101 8.954 3.946 -5.529 793 HG2 LYS 101 HG2 LYS 101 7.336 3.193 -7.237 794 HG3 LYS 101 HG3 LYS 101 6.217 2.763 -5.944 795 HD2 LYS 101 HD2 LYS 101 6.152 5.100 -5.218 796 HD3 LYS 101 HD3 LYS 101 7.304 5.519 -6.480 797 HE2 LYS 101 HE2 LYS 101 5.649 4.778 -8.173 798 HE3 LYS 101 HE3 LYS 101 4.497 4.509 -6.871 799 HZ1 LYS 101 HZ1 LYS 101 5.735 7.115 -7.578 800 HZ2 LYS 101 HZ2 LYS 101 4.631 6.863 -6.321 801 HZ3 LYS 101 HZ3 LYS 101 4.147 6.650 -7.927 802 H MET 102 H MET 102 10.916 2.548 -6.519 803 HA MET 102 HA MET 102 10.366 2.038 -9.201 804 HB2 MET 102 HB2 MET 102 12.187 3.403 -8.560 805 HB3 MET 102 HB3 MET 102 12.958 2.092 -7.719 806 HG2 MET 102 HG2 MET 102 13.203 0.930 -9.930 807 HG3 MET 102 HG3 MET 102 12.601 2.396 -10.684 808 HE1 MET 102 HE1 MET 102 15.651 0.582 -9.048 809 HE2 MET 102 HE2 MET 102 15.132 1.643 -7.741 810 HE3 MET 102 HE3 MET 102 16.672 1.931 -8.550 811 H THR 103 H THR 103 12.227 -0.087 -6.986 812 HA THR 103 HA THR 103 12.429 -2.303 -8.660 813 HB THR 103 HB THR 103 12.158 -2.300 -5.638 814 HG1 THR 103 HG1 THR 103 13.990 -1.184 -6.263 815 HG21 THR 103 HG21 THR 103 13.077 -4.478 -7.530 816 HG22 THR 103 HG22 THR 103 11.724 -4.550 -6.401 817 HG23 THR 103 HG23 THR 103 13.378 -4.499 -5.795 818 H LEU 104 H LEU 104 9.952 -1.829 -6.102 819 HA LEU 104 HA LEU 104 8.177 -3.830 -6.542 820 HB2 LEU 104 HB2 LEU 104 7.586 -0.907 -6.003 821 HB3 LEU 104 HB3 LEU 104 6.385 -2.161 -5.864 822 HG LEU 104 HG LEU 104 8.880 -1.982 -4.183 823 HD11 LEU 104 HD11 LEU 104 7.717 -0.351 -3.148 824 HD12 LEU 104 HD12 LEU 104 6.782 -1.683 -2.486 825 HD13 LEU 104 HD13 LEU 104 6.199 -0.817 -3.905 826 HD21 LEU 104 HD21 LEU 104 8.242 -3.856 -3.073 827 HD22 LEU 104 HD22 LEU 104 7.576 -4.251 -4.657 828 HD23 LEU 104 HD23 LEU 104 6.530 -3.589 -3.393 829 H GLN 105 H GLN 105 7.890 -0.639 -8.062 830 HA GLN 105 HA GLN 105 5.886 -1.130 -9.904 831 HB2 GLN 105 HB2 GLN 105 6.868 1.092 -9.339 832 HB3 GLN 105 HB3 GLN 105 8.265 0.704 -10.317 833 HG2 GLN 105 HG2 GLN 105 6.955 0.677 -12.309 834 HG3 GLN 105 HG3 GLN 105 5.458 0.804 -11.388 835 HE21 GLN 105 HE21 GLN 105 5.419 2.568 -13.121 836 HE22 GLN 105 HE22 GLN 105 5.949 4.133 -12.612 837 H GLN 106 H GLN 106 9.246 -2.026 -10.128 838 HA GLN 106 HA GLN 106 9.111 -2.715 -12.944 839 HB2 GLN 106 HB2 GLN 106 11.289 -2.855 -10.855 840 HB3 GLN 106 HB3 GLN 106 11.488 -3.551 -12.453 841 HG2 GLN 106 HG2 GLN 106 10.726 -0.691 -12.071 842 HG3 GLN 106 HG3 GLN 106 12.415 -1.186 -12.076 843 HE21 GLN 106 HE21 GLN 106 10.431 0.363 -13.909 844 HE22 GLN 106 HE22 GLN 106 10.804 -0.247 -15.482 845 H ILE 107 H ILE 107 8.644 -4.234 -9.887 846 HA ILE 107 HA ILE 107 8.821 -6.950 -10.861 847 HB ILE 107 HB ILE 107 7.910 -5.778 -8.212 848 HG12 ILE 107 HG12 ILE 107 10.341 -7.466 -8.869 849 HG13 ILE 107 HG13 ILE 107 10.354 -5.726 -8.791 850 HG21 ILE 107 HG21 ILE 107 6.643 -7.839 -8.691 851 HG22 ILE 107 HG22 ILE 107 7.715 -7.997 -7.302 852 HG23 ILE 107 HG23 ILE 107 8.166 -8.720 -8.847 853 HD11 ILE 107 HD11 ILE 107 9.937 -5.739 -6.440 854 HD12 ILE 107 HD12 ILE 107 11.288 -6.824 -6.781 855 HD13 ILE 107 HD13 ILE 107 9.687 -7.483 -6.452 856 H ILE 108 H ILE 108 6.183 -4.656 -10.072 857 HA ILE 108 HA ILE 108 4.071 -6.551 -10.449 858 HB ILE 108 HB ILE 108 3.968 -3.517 -10.412 859 HG12 ILE 108 HG12 ILE 108 2.866 -5.343 -8.330 860 HG13 ILE 108 HG13 ILE 108 4.581 -5.046 -8.362 861 HG21 ILE 108 HG21 ILE 108 1.660 -5.476 -10.288 862 HG22 ILE 108 HG22 ILE 108 2.050 -4.461 -11.679 863 HG23 ILE 108 HG23 ILE 108 1.542 -3.715 -10.159 864 HD11 ILE 108 HD11 ILE 108 3.398 -3.613 -6.779 865 HD12 ILE 108 HD12 ILE 108 2.494 -2.913 -8.121 866 HD13 ILE 108 HD13 ILE 108 4.242 -2.706 -8.029 867 H SER 109 H SER 109 5.685 -4.250 -12.527 868 HA SER 109 HA SER 109 4.050 -4.514 -14.827 869 HB2 SER 109 HB2 SER 109 5.913 -3.546 -16.060 870 HB3 SER 109 HB3 SER 109 5.726 -2.712 -14.517 871 HG SER 109 HG SER 109 7.432 -4.861 -14.422 872 H ARG 110 H ARG 110 6.318 -6.671 -13.388 873 HA ARG 110 HA ARG 110 6.707 -8.350 -15.705 874 HB2 ARG 110 HB2 ARG 110 7.256 -8.780 -12.763 875 HB3 ARG 110 HB3 ARG 110 7.571 -10.006 -13.979 876 HG2 ARG 110 HG2 ARG 110 9.182 -8.558 -15.063 877 HG3 ARG 110 HG3 ARG 110 8.816 -7.263 -13.929 878 HD2 ARG 110 HD2 ARG 110 9.604 -8.686 -12.084 879 HD3 ARG 110 HD3 ARG 110 10.009 -9.948 -13.246 880 HE ARG 110 HE ARG 110 11.351 -7.720 -14.115 881 HH11 ARG 110 HH11 ARG 110 11.353 -9.589 -11.138 882 HH12 ARG 110 HH12 ARG 110 13.001 -9.206 -10.767 883 HH21 ARG 110 HH21 ARG 110 13.506 -7.238 -13.607 884 HH22 ARG 110 HH22 ARG 110 14.217 -7.877 -12.163 885 H TYR 111 H TYR 111 4.612 -8.375 -12.833 886 HA TYR 111 HA TYR 111 3.162 -10.730 -13.727 887 HB2 TYR 111 HB2 TYR 111 2.635 -8.882 -11.389 888 HB3 TYR 111 HB3 TYR 111 1.798 -10.393 -11.713 889 HD1 TYR 111 HD1 TYR 111 4.669 -8.887 -10.186 890 HD2 TYR 111 HD2 TYR 111 3.153 -12.554 -11.732 891 HE1 TYR 111 HE1 TYR 111 6.395 -10.121 -8.948 892 HE2 TYR 111 HE2 TYR 111 4.878 -13.793 -10.499 893 HH TYR 111 HH TYR 111 7.095 -13.386 -9.542 894 H LYS 112 H LYS 112 3.167 -7.563 -14.584 895 HA LYS 112 HA LYS 112 0.321 -7.183 -14.998 896 HB2 LYS 112 HB2 LYS 112 1.711 -5.289 -14.374 897 HB3 LYS 112 HB3 LYS 112 2.743 -5.544 -15.775 898 HG2 LYS 112 HG2 LYS 112 1.243 -3.679 -16.144 899 HG3 LYS 112 HG3 LYS 112 0.865 -4.994 -17.236 900 HD2 LYS 112 HD2 LYS 112 -1.025 -5.651 -15.816 901 HD3 LYS 112 HD3 LYS 112 -0.631 -4.361 -14.687 902 HE2 LYS 112 HE2 LYS 112 -2.474 -3.620 -16.016 903 HE3 LYS 112 HE3 LYS 112 -1.055 -2.718 -16.536 904 HZ1 LYS 112 HZ1 LYS 112 -2.121 -5.115 -17.928 905 HZ2 LYS 112 HZ2 LYS 112 -0.863 -4.116 -18.454 906 HZ3 LYS 112 HZ3 LYS 112 -2.442 -3.519 -18.387 907 H ASP 113 H ASP 113 3.168 -8.168 -16.750 908 HA ASP 113 HA ASP 113 1.798 -8.323 -19.307 909 HB2 ASP 113 HB2 ASP 113 4.629 -8.798 -18.392 910 HB3 ASP 113 HB3 ASP 113 4.089 -9.218 -20.004 911 H ALA 114 H ALA 114 2.460 -10.289 -16.589 912 HA ALA 114 HA ALA 114 2.451 -12.823 -17.945 913 HB1 ALA 114 HB1 ALA 114 2.646 -13.818 -15.779 914 HB2 ALA 114 HB2 ALA 114 2.161 -12.315 -14.999 915 HB3 ALA 114 HB3 ALA 114 3.708 -12.411 -15.841 916 H ASP 115 H ASP 115 0.061 -10.686 -16.961 917 HA ASP 115 HA ASP 115 -2.000 -12.787 -17.082 918 HB2 ASP 115 HB2 ASP 115 -1.844 -11.887 -14.795 919 HB3 ASP 115 HB3 ASP 115 -2.109 -10.265 -15.422 920 H1 GLY 519 H1 GLY 519 -24.443 -1.360 12.612 921 H2 GLY 519 H2 GLY 519 -23.774 -0.649 13.993 922 H3 GLY 519 H3 GLY 519 -25.446 -0.594 13.739 923 HA2 GLY 519 HA2 GLY 519 -24.906 -2.247 15.408 924 HA3 GLY 519 HA3 GLY 519 -25.609 -2.983 13.977 925 H SER 520 H SER 520 -24.656 -4.798 13.408 926 HA SER 520 HA SER 520 -21.801 -5.178 14.014 927 HB2 SER 520 HB2 SER 520 -23.098 -6.861 15.103 928 HB3 SER 520 HB3 SER 520 -24.057 -7.158 13.652 929 HG SER 520 HG SER 520 -22.585 -8.501 13.005 930 HA PRO 521 HA PRO 521 -21.188 -4.930 9.555 931 HB2 PRO 521 HB2 PRO 521 -18.523 -5.518 9.512 932 HB3 PRO 521 HB3 PRO 521 -19.163 -3.945 9.986 933 HG2 PRO 521 HG2 PRO 521 -18.241 -6.134 11.672 934 HG3 PRO 521 HG3 PRO 521 -18.032 -4.527 11.877 935 HD2 PRO 521 HD2 PRO 521 -19.752 -5.896 13.204 936 HD3 PRO 521 HD3 PRO 521 -19.921 -4.298 12.914 937 H GLY 522 H GLY 522 -20.639 -7.773 11.449 938 HA2 GLY 522 HA2 GLY 522 -21.577 -9.828 10.381 939 HA3 GLY 522 HA3 GLY 522 -20.570 -9.428 8.998 940 H TYR 523 H TYR 523 -18.390 -9.870 9.039 941 HA TYR 523 HA TYR 523 -17.466 -11.511 11.305 942 HB2 TYR 523 HB2 TYR 523 -16.576 -11.667 8.412 943 HB3 TYR 523 HB3 TYR 523 -16.017 -12.701 9.720 944 HD1 TYR 523 HD1 TYR 523 -18.571 -12.155 7.228 945 HD2 TYR 523 HD2 TYR 523 -17.655 -14.296 10.792 946 HE1 TYR 523 HE1 TYR 523 -20.396 -13.730 6.747 947 HE2 TYR 523 HE2 TYR 523 -19.477 -15.878 10.316 948 HH TYR 523 HH TYR 523 -21.028 -16.041 7.310 949 HA PRO 524 HA PRO 524 -14.645 -7.831 11.438 950 HB2 PRO 524 HB2 PRO 524 -14.120 -7.920 14.096 951 HB3 PRO 524 HB3 PRO 524 -15.566 -7.143 13.440 952 HG2 PRO 524 HG2 PRO 524 -15.335 -9.812 14.647 953 HG3 PRO 524 HG3 PRO 524 -16.515 -8.703 14.861 954 HD2 PRO 524 HD2 PRO 524 -16.849 -10.710 13.186 955 HD3 PRO 524 HD3 PRO 524 -17.559 -9.266 12.905 956 H ASN 525 H ASN 525 -12.831 -8.511 10.441 957 HA ASN 525 HA ASN 525 -10.862 -9.960 12.046 958 HB2 ASN 525 HB2 ASN 525 -11.908 -11.683 10.628 959 HB3 ASN 525 HB3 ASN 525 -11.573 -10.721 9.194 960 HD21 ASN 525 HD21 ASN 525 -10.473 -12.619 8.421 961 HD22 ASN 525 HD22 ASN 525 -8.850 -12.937 8.919 962 H GLY 526 H GLY 526 -8.974 -8.933 12.025 963 HA2 GLY 526 HA2 GLY 526 -7.126 -8.035 10.691 964 HA3 GLY 526 HA3 GLY 526 -8.326 -7.192 9.726 965 H LEU 527 H LEU 527 -9.042 -7.157 13.053 966 HA LEU 527 HA LEU 527 -7.813 -4.510 13.353 967 HB2 LEU 527 HB2 LEU 527 -10.512 -5.335 14.416 968 HB3 LEU 527 HB3 LEU 527 -9.745 -3.807 14.732 969 HG LEU 527 HG LEU 527 -10.940 -4.778 12.134 970 HD11 LEU 527 HD11 LEU 527 -12.535 -3.931 13.725 971 HD12 LEU 527 HD12 LEU 527 -12.380 -2.828 12.358 972 HD13 LEU 527 HD13 LEU 527 -11.610 -2.442 13.896 973 HD21 LEU 527 HD21 LEU 527 -10.325 -2.546 11.202 974 HD22 LEU 527 HD22 LEU 527 -8.963 -3.635 11.468 975 HD23 LEU 527 HD23 LEU 527 -9.270 -2.318 12.601 976 H LEU 528 H LEU 528 -6.723 -7.059 14.153 977 HA LEU 528 HA LEU 528 -7.015 -7.261 17.019 978 HB2 LEU 528 HB2 LEU 528 -5.170 -8.678 15.083 979 HB3 LEU 528 HB3 LEU 528 -5.292 -9.059 16.784 980 HG LEU 528 HG LEU 528 -7.521 -9.374 14.762 981 HD11 LEU 528 HD11 LEU 528 -7.195 -11.790 15.110 982 HD12 LEU 528 HD12 LEU 528 -5.769 -11.441 16.086 983 HD13 LEU 528 HD13 LEU 528 -5.790 -11.021 14.374 984 HD21 LEU 528 HD21 LEU 528 -8.671 -10.573 16.575 985 HD22 LEU 528 HD22 LEU 528 -8.393 -8.875 16.961 986 HD23 LEU 528 HD23 LEU 528 -7.372 -10.120 17.678 987 H SER 529 H SER 529 -5.585 -4.968 15.314 988 HA SER 529 HA SER 529 -3.340 -4.651 17.195 989 HB2 SER 529 HB2 SER 529 -2.016 -3.589 15.425 990 HB3 SER 529 HB3 SER 529 -2.458 -5.233 14.970 991 HG SER 529 HG SER 529 -4.045 -4.402 13.624 992 H GLY 530 H GLY 530 -5.657 -3.007 15.067 993 HA2 GLY 530 HA2 GLY 530 -7.047 -1.234 15.802 994 HA3 GLY 530 HA3 GLY 530 -5.878 -0.865 17.057 995 H ASP 531 H ASP 531 -4.524 -1.360 13.944 996 HA ASP 531 HA ASP 531 -4.396 1.544 13.475 997 HB2 ASP 531 HB2 ASP 531 -2.121 -0.445 13.248 998 HB3 ASP 531 HB3 ASP 531 -2.030 1.236 12.741 999 H GLU 532 H GLU 532 -5.535 -1.250 12.292 1000 HA GLU 532 HA GLU 532 -4.877 -0.771 9.493 1001 HB2 GLU 532 HB2 GLU 532 -6.238 -3.086 10.835 1002 HB3 GLU 532 HB3 GLU 532 -5.914 -2.967 9.117 1003 HG2 GLU 532 HG2 GLU 532 -3.506 -2.865 9.585 1004 HG3 GLU 532 HG3 GLU 532 -3.856 -3.008 11.296 1005 H ASP 533 H ASP 533 -6.982 0.490 11.432 1006 HA ASP 533 HA ASP 533 -9.319 0.305 9.649 1007 HB2 ASP 533 HB2 ASP 533 -9.646 -0.428 12.019 1008 HB3 ASP 533 HB3 ASP 533 -9.252 1.205 12.541 1009 H PHE 534 H PHE 534 -6.846 2.387 10.763 1010 HA PHE 534 HA PHE 534 -8.318 4.841 10.170 1011 HB2 PHE 534 HB2 PHE 534 -5.554 4.365 11.304 1012 HB3 PHE 534 HB3 PHE 534 -6.198 5.965 10.959 1013 HD1 PHE 534 HD1 PHE 534 -6.014 3.293 13.329 1014 HD2 PHE 534 HD2 PHE 534 -8.299 6.698 12.186 1015 HE1 PHE 534 HE1 PHE 534 -7.031 3.357 15.569 1016 HE2 PHE 534 HE2 PHE 534 -9.319 6.767 14.424 1017 HZ PHE 534 HZ PHE 534 -8.686 5.096 16.118 1018 H SER 535 H SER 535 -6.537 2.639 8.438 1019 HA SER 535 HA SER 535 -5.245 4.511 6.652 1020 HB2 SER 535 HB2 SER 535 -4.456 2.547 5.456 1021 HB3 SER 535 HB3 SER 535 -4.169 2.348 7.178 1022 HG SER 535 HG SER 535 -6.319 1.230 5.691 1023 H SER 536 H SER 536 -8.360 3.456 7.024 1024 HA SER 536 HA SER 536 -9.081 3.444 4.206 1025 HB2 SER 536 HB2 SER 536 -11.360 2.995 4.998 1026 HB3 SER 536 HB3 SER 536 -10.213 1.890 5.751 1027 HG SER 536 HG SER 536 -11.929 3.448 6.962 1028 H ILE 537 H ILE 537 -9.362 5.530 7.027 1029 HA ILE 537 HA ILE 537 -10.672 7.624 5.494 1030 HB ILE 537 HB ILE 537 -10.664 8.925 7.598 1031 HG12 ILE 537 HG12 ILE 537 -9.468 6.510 8.973 1032 HG13 ILE 537 HG13 ILE 537 -8.492 7.869 8.442 1033 HG21 ILE 537 HG21 ILE 537 -11.730 6.124 7.965 1034 HG22 ILE 537 HG22 ILE 537 -12.573 7.478 7.209 1035 HG23 ILE 537 HG23 ILE 537 -12.187 7.528 8.932 1036 HD11 ILE 537 HD11 ILE 537 -9.963 9.322 9.915 1037 HD12 ILE 537 HD12 ILE 537 -8.889 8.192 10.744 1038 HD13 ILE 537 HD13 ILE 537 -10.607 7.821 10.582 1039 H ALA 538 H ALA 538 -7.479 6.728 6.530 1040 HA ALA 538 HA ALA 538 -6.341 9.208 5.562 1041 HB1 ALA 538 HB1 ALA 538 -4.885 6.701 6.369 1042 HB2 ALA 538 HB2 ALA 538 -5.345 7.984 7.485 1043 HB3 ALA 538 HB3 ALA 538 -4.205 8.318 6.183 1044 H ASP 539 H ASP 539 -7.765 6.773 4.124 1045 HA ASP 539 HA ASP 539 -6.061 6.544 1.765 1046 HB2 ASP 539 HB2 ASP 539 -8.302 5.065 2.902 1047 HB3 ASP 539 HB3 ASP 539 -8.559 5.411 1.196 1048 H MET 540 H MET 540 -8.929 8.135 2.946 1049 HA MET 540 HA MET 540 -9.737 9.440 0.554 1050 HB2 MET 540 HB2 MET 540 -10.173 10.071 3.472 1051 HB3 MET 540 HB3 MET 540 -10.898 10.993 2.158 1052 HG2 MET 540 HG2 MET 540 -11.309 8.081 2.774 1053 HG3 MET 540 HG3 MET 540 -12.472 9.385 2.991 1054 HE1 MET 540 HE1 MET 540 -13.582 10.317 -0.498 1055 HE2 MET 540 HE2 MET 540 -12.336 11.111 0.465 1056 HE3 MET 540 HE3 MET 540 -13.788 10.488 1.247 1057 H ASP 541 H ASP 541 -7.203 9.930 2.805 1058 HA ASP 541 HA ASP 541 -6.705 12.691 2.306 1059 HB2 ASP 541 HB2 ASP 541 -5.309 10.501 3.793 1060 HB3 ASP 541 HB3 ASP 541 -4.576 12.077 3.611 1061 H PHE 542 H PHE 542 -5.605 9.664 0.903 1062 HA PHE 542 HA PHE 542 -3.125 10.763 -0.089 1063 HB2 PHE 542 HB2 PHE 542 -4.207 8.151 0.314 1064 HB3 PHE 542 HB3 PHE 542 -3.677 8.275 -1.359 1065 HD1 PHE 542 HD1 PHE 542 -2.639 8.011 2.093 1066 HD2 PHE 542 HD2 PHE 542 -1.327 8.846 -1.867 1067 HE1 PHE 542 HE1 PHE 542 -0.311 7.650 2.782 1068 HE2 PHE 542 HE2 PHE 542 1.000 8.493 -1.161 1069 HZ PHE 542 HZ PHE 542 1.504 7.876 1.151 1070 H SER 543 H SER 543 -6.343 10.609 -1.293 1071 HA SER 543 HA SER 543 -5.602 10.610 -4.090 1072 HB2 SER 543 HB2 SER 543 -8.050 10.892 -4.485 1073 HB3 SER 543 HB3 SER 543 -7.663 9.504 -3.473 1074 HG SER 543 HG SER 543 -8.005 11.258 -1.716 1075 H ALA 544 H ALA 544 -6.526 12.976 -1.675 1076 HA ALA 544 HA ALA 544 -6.439 15.167 -3.597 1077 HB1 ALA 544 HB1 ALA 544 -7.016 16.590 -1.696 1078 HB2 ALA 544 HB2 ALA 544 -6.834 15.217 -0.604 1079 HB3 ALA 544 HB3 ALA 544 -8.119 15.219 -1.813 1080 H LEU 545 H LEU 545 -4.232 13.350 -1.973 1081 HA LEU 545 HA LEU 545 -2.378 15.435 -1.199 1082 HB2 LEU 545 HB2 LEU 545 -2.674 13.506 0.215 1083 HB3 LEU 545 HB3 LEU 545 -2.222 12.438 -1.090 1084 HG LEU 545 HG LEU 545 -0.045 14.193 -0.682 1085 HD11 LEU 545 HD11 LEU 545 -1.073 13.065 1.901 1086 HD12 LEU 545 HD12 LEU 545 -0.853 14.769 1.496 1087 HD13 LEU 545 HD13 LEU 545 0.549 13.711 1.655 1088 HD21 LEU 545 HD21 LEU 545 0.133 11.883 -1.474 1089 HD22 LEU 545 HD22 LEU 545 -0.285 11.310 0.141 1090 HD23 LEU 545 HD23 LEU 545 1.208 12.207 -0.116 1091 H LEU 546 H LEU 546 -2.764 13.087 -3.812 1092 HA LEU 546 HA LEU 546 -0.179 13.742 -4.990 1093 HB2 LEU 546 HB2 LEU 546 -2.417 11.986 -5.997 1094 HB3 LEU 546 HB3 LEU 546 -0.875 12.180 -6.793 1095 HG LEU 546 HG LEU 546 -1.098 11.138 -3.989 1096 HD11 LEU 546 HD11 LEU 546 -0.925 8.878 -4.984 1097 HD12 LEU 546 HD12 LEU 546 -1.176 9.592 -6.575 1098 HD13 LEU 546 HD13 LEU 546 -2.447 9.683 -5.356 1099 HD21 LEU 546 HD21 LEU 546 1.105 10.188 -4.479 1100 HD22 LEU 546 HD22 LEU 546 1.111 11.924 -4.771 1101 HD23 LEU 546 HD23 LEU 546 1.014 10.808 -6.126 1102 H SER 547 H SER 547 -3.566 14.338 -5.530 1103 HA SER 547 HA SER 547 -3.152 15.819 -7.984 1104 HB2 SER 547 HB2 SER 547 -5.182 14.476 -7.725 1105 HB3 SER 547 HB3 SER 547 -5.648 15.418 -6.311 1106 HG SER 547 HG SER 547 -5.399 17.251 -7.993 1107 H GLN 548 H GLN 548 -1.868 17.551 -7.487 1108 HA GLN 548 HA GLN 548 -3.155 19.739 -6.039 1109 HB2 GLN 548 HB2 GLN 548 -0.314 18.831 -5.551 1110 HB3 GLN 548 HB3 GLN 548 -0.973 20.360 -4.987 1111 HG2 GLN 548 HG2 GLN 548 -2.744 18.943 -3.795 1112 HG3 GLN 548 HG3 GLN 548 -1.682 17.584 -4.114 1113 HE21 GLN 548 HE21 GLN 548 0.219 17.359 -2.911 1114 HE22 GLN 548 HE22 GLN 548 0.575 18.346 -1.538 1115 H ILE 549 H ILE 549 -3.596 20.729 -7.976 1116 HA ILE 549 HA ILE 549 -1.324 21.509 -9.663 1117 HB ILE 549 HB ILE 549 -4.279 21.667 -10.301 1118 HG12 ILE 549 HG12 ILE 549 -2.186 19.880 -11.581 1119 HG13 ILE 549 HG13 ILE 549 -3.234 19.344 -10.275 1120 HG21 ILE 549 HG21 ILE 549 -3.087 23.481 -11.359 1121 HG22 ILE 549 HG22 ILE 549 -3.535 22.285 -12.574 1122 HG23 ILE 549 HG23 ILE 549 -1.874 22.363 -11.985 1123 HD11 ILE 549 HD11 ILE 549 -5.190 19.736 -11.698 1124 HD12 ILE 549 HD12 ILE 549 -4.063 18.592 -12.427 1125 HD13 ILE 549 HD13 ILE 549 -4.128 20.258 -13.004 1126 H SER 550 H SER 550 -4.155 22.939 -8.034 1127 HA SER 550 HA SER 550 -4.669 25.026 -7.317 1128 HB2 SER 550 HB2 SER 550 -2.792 24.697 -5.813 1129 HB3 SER 550 HB3 SER 550 -1.661 25.246 -7.048 1130 HG SER 550 HG SER 550 -3.490 26.720 -5.520 1131 H SER 551 H SER 551 -5.605 26.354 -8.687 1132 HA SER 551 HA SER 551 -3.970 27.699 -10.735 1133 HB2 SER 551 HB2 SER 551 -5.663 26.318 -11.774 1134 HB3 SER 551 HB3 SER 551 -6.922 27.015 -10.756 1135 HG SER 551 HG SER 551 -5.613 28.095 -12.974 Start of MODEL 4 1 H2 PRO 1 H2 PRO 1 20.242 -4.241 -6.050 2 H3 PRO 1 H1 PRO 1 18.957 -3.362 -5.561 3 HA PRO 1 HA PRO 1 21.572 -2.846 -5.238 4 HB2 PRO 1 HB2 PRO 1 20.429 -0.484 -6.670 5 HB3 PRO 1 HB3 PRO 1 22.125 -0.987 -6.487 6 HG2 PRO 1 HG2 PRO 1 21.010 -1.514 -8.718 7 HG3 PRO 1 HG3 PRO 1 21.785 -2.756 -7.992 8 HD2 PRO 1 HD2 PRO 1 18.739 -2.228 -7.589 9 HD3 PRO 1 HD3 PRO 1 19.308 -3.647 -8.164 10 H SER 2 H SER 2 18.228 -1.803 -5.218 11 HA SER 2 HA SER 2 18.571 -0.762 -2.512 12 HB2 SER 2 HB2 SER 2 18.655 1.185 -4.083 13 HB3 SER 2 HB3 SER 2 17.042 0.755 -4.649 14 HG SER 2 HG SER 2 17.309 0.996 -1.909 15 H HIS 3 H HIS 3 17.683 -3.009 -2.372 16 HA HIS 3 HA HIS 3 14.797 -3.238 -2.810 17 HB2 HIS 3 HB2 HIS 3 16.862 -5.221 -1.870 18 HB3 HIS 3 HB3 HIS 3 15.175 -5.592 -2.006 19 HD1 HIS 3 HD1 HIS 3 16.803 -7.377 -3.615 20 HD2 HIS 3 HD2 HIS 3 15.698 -3.642 -5.063 21 HE1 HIS 3 HE1 HIS 3 17.007 -7.537 -6.115 22 HE2 HIS 3 HE2 HIS 3 16.281 -5.285 -6.972 23 H SER 4 H SER 4 16.934 -2.256 -0.407 24 HA SER 4 HA SER 4 14.868 -2.488 1.649 25 HB2 SER 4 HB2 SER 4 16.413 -3.296 3.326 26 HB3 SER 4 HB3 SER 4 16.446 -4.388 1.946 27 HG SER 4 HG SER 4 18.409 -2.679 2.917 28 H GLY 5 H GLY 5 14.882 -0.949 3.238 29 HA2 GLY 5 HA2 GLY 5 16.963 1.077 3.323 30 HA3 GLY 5 HA3 GLY 5 15.388 1.632 2.776 31 H ALA 6 H ALA 6 14.072 2.396 4.280 32 HA ALA 6 HA ALA 6 13.870 1.111 6.877 33 HB1 ALA 6 HB1 ALA 6 14.567 4.040 6.665 34 HB2 ALA 6 HB2 ALA 6 15.605 2.757 7.294 35 HB3 ALA 6 HB3 ALA 6 14.122 3.186 8.145 36 H ALA 7 H ALA 7 11.766 1.024 7.481 37 HA ALA 7 HA ALA 7 9.881 3.058 6.556 38 HB1 ALA 7 HB1 ALA 7 9.851 1.428 4.767 39 HB2 ALA 7 HB2 ALA 7 8.327 1.383 5.655 40 HB3 ALA 7 HB3 ALA 7 9.539 0.136 5.924 41 H ILE 8 H ILE 8 7.939 3.171 7.728 42 HA ILE 8 HA ILE 8 7.831 1.596 10.224 43 HB ILE 8 HB ILE 8 6.653 4.331 9.638 44 HG12 ILE 8 HG12 ILE 8 8.769 3.596 11.660 45 HG13 ILE 8 HG13 ILE 8 9.142 4.173 10.050 46 HG21 ILE 8 HG21 ILE 8 5.150 3.078 11.113 47 HG22 ILE 8 HG22 ILE 8 5.930 4.401 11.978 48 HG23 ILE 8 HG23 ILE 8 6.494 2.747 12.207 49 HD11 ILE 8 HD11 ILE 8 9.314 5.931 11.735 50 HD12 ILE 8 HD12 ILE 8 7.614 5.699 12.146 51 HD13 ILE 8 HD13 ILE 8 8.063 6.291 10.547 52 H PHE 9 H PHE 9 5.945 0.546 10.783 53 HA PHE 9 HA PHE 9 3.579 0.705 9.108 54 HB2 PHE 9 HB2 PHE 9 5.111 -0.975 8.015 55 HB3 PHE 9 HB3 PHE 9 4.990 -1.958 9.463 56 HD1 PHE 9 HD1 PHE 9 3.166 -0.650 6.542 57 HD2 PHE 9 HD2 PHE 9 3.048 -3.293 9.879 58 HE1 PHE 9 HE1 PHE 9 1.153 -1.718 5.622 59 HE2 PHE 9 HE2 PHE 9 1.041 -4.367 8.961 60 HZ PHE 9 HZ PHE 9 0.098 -3.595 6.817 61 H GLU 10 H GLU 10 1.986 0.866 10.494 62 HA GLU 10 HA GLU 10 0.685 0.765 12.361 63 HB2 GLU 10 HB2 GLU 10 2.014 -1.920 12.722 64 HB3 GLU 10 HB3 GLU 10 0.618 -1.373 13.634 65 HG2 GLU 10 HG2 GLU 10 -0.655 -1.209 11.538 66 HG3 GLU 10 HG3 GLU 10 0.744 -1.824 10.657 67 H LYS 11 H LYS 11 2.739 2.345 12.639 68 HA LYS 11 HA LYS 11 3.861 3.621 14.091 69 HB2 LYS 11 HB2 LYS 11 3.020 3.934 16.342 70 HB3 LYS 11 HB3 LYS 11 1.708 3.820 15.187 71 HG2 LYS 11 HG2 LYS 11 1.362 1.467 15.858 72 HG3 LYS 11 HG3 LYS 11 2.667 1.682 17.013 73 HD2 LYS 11 HD2 LYS 11 1.386 3.412 18.181 74 HD3 LYS 11 HD3 LYS 11 0.071 3.197 17.025 75 HE2 LYS 11 HE2 LYS 11 -0.278 0.940 17.776 76 HE3 LYS 11 HE3 LYS 11 1.113 1.035 18.847 77 HZ1 LYS 11 HZ1 LYS 11 -0.936 1.341 20.072 78 HZ2 LYS 11 HZ2 LYS 11 -1.375 2.641 19.085 79 HZ3 LYS 11 HZ3 LYS 11 -0.028 2.769 20.102 80 H VAL 12 H VAL 12 4.471 0.473 14.074 81 HA VAL 12 HA VAL 12 6.704 0.675 15.964 82 HB VAL 12 HB VAL 12 5.675 -1.759 14.466 83 HG11 VAL 12 HG11 VAL 12 7.128 -3.045 16.033 84 HG12 VAL 12 HG12 VAL 12 7.894 -1.514 16.461 85 HG13 VAL 12 HG13 VAL 12 7.974 -2.108 14.805 86 HG21 VAL 12 HG21 VAL 12 5.376 -1.050 17.379 87 HG22 VAL 12 HG22 VAL 12 4.951 -2.604 16.666 88 HG23 VAL 12 HG23 VAL 12 4.086 -1.144 16.177 89 H SER 13 H SER 13 8.550 1.441 15.171 90 HA SER 13 HA SER 13 8.900 1.753 12.339 91 HB2 SER 13 HB2 SER 13 9.636 3.575 13.709 92 HB3 SER 13 HB3 SER 13 10.650 2.511 14.682 93 HG SER 13 HG SER 13 11.865 3.680 13.132 94 H GLY 14 H GLY 14 10.294 0.794 10.984 95 HA2 GLY 14 HA2 GLY 14 12.107 -1.259 11.952 96 HA3 GLY 14 HA3 GLY 14 10.733 -1.837 11.031 97 H ILE 15 H ILE 15 12.338 -2.698 9.631 98 HA ILE 15 HA ILE 15 13.330 -0.728 7.678 99 HB ILE 15 HB ILE 15 14.650 -3.274 8.648 100 HG12 ILE 15 HG12 ILE 15 15.801 -0.475 8.615 101 HG13 ILE 15 HG13 ILE 15 14.985 -1.181 9.993 102 HG21 ILE 15 HG21 ILE 15 15.508 -1.605 6.291 103 HG22 ILE 15 HG22 ILE 15 14.949 -3.280 6.271 104 HG23 ILE 15 HG23 ILE 15 16.481 -2.869 7.046 105 HD11 ILE 15 HD11 ILE 15 17.332 -1.301 10.357 106 HD12 ILE 15 HD12 ILE 15 17.594 -2.061 8.791 107 HD13 ILE 15 HD13 ILE 15 16.744 -2.938 10.065 108 H ILE 16 H ILE 16 12.940 -1.176 5.534 109 HA ILE 16 HA ILE 16 11.114 -3.402 5.005 110 HB ILE 16 HB ILE 16 10.498 -0.937 4.556 111 HG12 ILE 16 HG12 ILE 16 10.057 -2.873 2.279 112 HG13 ILE 16 HG13 ILE 16 9.277 -3.032 3.843 113 HG21 ILE 16 HG21 ILE 16 11.169 0.197 2.658 114 HG22 ILE 16 HG22 ILE 16 11.740 -1.271 1.855 115 HG23 ILE 16 HG23 ILE 16 12.682 -0.566 3.177 116 HD11 ILE 16 HD11 ILE 16 8.284 -0.761 3.480 117 HD12 ILE 16 HD12 ILE 16 7.722 -2.013 2.379 118 HD13 ILE 16 HD13 ILE 16 8.907 -0.827 1.831 119 H ALA 17 H ALA 17 11.546 -4.974 3.533 120 HA ALA 17 HA ALA 17 13.956 -4.752 1.867 121 HB1 ALA 17 HB1 ALA 17 14.665 -7.013 2.458 122 HB2 ALA 17 HB2 ALA 17 13.321 -7.149 3.593 123 HB3 ALA 17 HB3 ALA 17 14.609 -5.978 3.886 124 H ILE 18 H ILE 18 13.884 -5.867 -0.095 125 HA ILE 18 HA ILE 18 11.240 -6.956 -0.814 126 HB ILE 18 HB ILE 18 13.419 -5.845 -2.593 127 HG12 ILE 18 HG12 ILE 18 10.578 -4.936 -2.253 128 HG13 ILE 18 HG13 ILE 18 11.896 -4.268 -1.314 129 HG21 ILE 18 HG21 ILE 18 12.395 -7.788 -3.663 130 HG22 ILE 18 HG22 ILE 18 12.009 -6.287 -4.504 131 HG23 ILE 18 HG23 ILE 18 10.804 -7.051 -3.464 132 HD11 ILE 18 HD11 ILE 18 11.363 -4.024 -4.255 133 HD12 ILE 18 HD12 ILE 18 12.938 -3.654 -3.548 134 HD13 ILE 18 HD13 ILE 18 11.512 -2.744 -3.046 135 H ASN 19 H ASN 19 10.993 -8.987 -1.321 136 HA ASN 19 HA ASN 19 13.270 -10.817 -1.356 137 HB2 ASN 19 HB2 ASN 19 10.300 -11.248 -0.915 138 HB3 ASN 19 HB3 ASN 19 11.465 -12.554 -1.034 139 HD21 ASN 19 HD21 ASN 19 9.881 -12.224 1.179 140 HD22 ASN 19 HD22 ASN 19 10.861 -11.778 2.529 141 H GLU 20 H GLU 20 14.046 -11.013 -3.373 142 HA GLU 20 HA GLU 20 12.196 -11.929 -5.474 143 HB2 GLU 20 HB2 GLU 20 14.773 -10.390 -5.866 144 HB3 GLU 20 HB3 GLU 20 13.789 -11.040 -7.158 145 HG2 GLU 20 HG2 GLU 20 11.937 -9.533 -6.266 146 HG3 GLU 20 HG3 GLU 20 13.187 -8.765 -5.301 147 H ASP 21 H ASP 21 13.477 -13.330 -7.160 148 HA ASP 21 HA ASP 21 14.533 -15.305 -7.625 149 HB2 ASP 21 HB2 ASP 21 16.194 -14.695 -5.169 150 HB3 ASP 21 HB3 ASP 21 16.482 -16.051 -6.242 151 H VAL 22 H VAL 22 12.560 -14.712 -5.201 152 HA VAL 22 HA VAL 22 12.428 -17.416 -4.087 153 HB VAL 22 HB VAL 22 10.934 -16.446 -2.368 154 HG11 VAL 22 HG11 VAL 22 13.582 -15.048 -2.724 155 HG12 VAL 22 HG12 VAL 22 13.281 -16.572 -1.881 156 HG13 VAL 22 HG13 VAL 22 12.649 -15.060 -1.225 157 HG21 VAL 22 HG21 VAL 22 11.503 -13.759 -3.652 158 HG22 VAL 22 HG22 VAL 22 10.636 -14.021 -2.140 159 HG23 VAL 22 HG23 VAL 22 9.944 -14.584 -3.660 160 H SER 23 H SER 23 9.838 -17.768 -3.445 161 HA SER 23 HA SER 23 8.401 -18.050 -5.926 162 HB2 SER 23 HB2 SER 23 6.643 -18.997 -4.555 163 HB3 SER 23 HB3 SER 23 8.174 -19.563 -3.900 164 HG SER 23 HG SER 23 6.297 -17.859 -2.800 165 HA PRO 24 HA PRO 24 7.000 -14.688 -7.320 166 HB2 PRO 24 HB2 PRO 24 4.430 -14.156 -5.874 167 HB3 PRO 24 HB3 PRO 24 4.787 -14.031 -7.601 168 HG2 PRO 24 HG2 PRO 24 3.550 -16.129 -6.677 169 HG3 PRO 24 HG3 PRO 24 4.684 -16.313 -7.839 170 HD2 PRO 24 HD2 PRO 24 4.858 -17.022 -5.102 171 HD3 PRO 24 HD3 PRO 24 5.603 -17.723 -6.375 172 H ALA 25 H ALA 25 7.914 -12.796 -7.074 173 HA ALA 25 HA ALA 25 9.213 -12.149 -4.769 174 HB1 ALA 25 HB1 ALA 25 8.604 -10.284 -7.049 175 HB2 ALA 25 HB2 ALA 25 9.961 -11.407 -6.955 176 HB3 ALA 25 HB3 ALA 25 9.859 -10.051 -5.833 177 H GLU 26 H GLU 26 9.120 -10.754 -3.195 178 HA GLU 26 HA GLU 26 6.466 -9.687 -2.625 179 HB2 GLU 26 HB2 GLU 26 8.132 -10.897 -0.460 180 HB3 GLU 26 HB3 GLU 26 6.417 -10.690 -0.525 181 HG2 GLU 26 HG2 GLU 26 6.171 -12.546 -2.029 182 HG3 GLU 26 HG3 GLU 26 7.913 -12.694 -2.181 183 H LEU 27 H LEU 27 6.487 -8.248 -0.660 184 HA LEU 27 HA LEU 27 8.986 -6.733 -0.335 185 HB2 LEU 27 HB2 LEU 27 7.531 -5.386 -1.642 186 HB3 LEU 27 HB3 LEU 27 6.168 -5.732 -0.649 187 HG LEU 27 HG LEU 27 7.291 -4.357 1.149 188 HD11 LEU 27 HD11 LEU 27 9.551 -4.379 0.213 189 HD12 LEU 27 HD12 LEU 27 8.955 -2.767 0.601 190 HD13 LEU 27 HD13 LEU 27 8.991 -3.313 -1.076 191 HD21 LEU 27 HD21 LEU 27 6.650 -2.176 0.144 192 HD22 LEU 27 HD22 LEU 27 5.424 -3.432 0.035 193 HD23 LEU 27 HD23 LEU 27 6.392 -3.029 -1.380 194 H THR 28 H THR 28 9.729 -7.132 1.629 195 HA THR 28 HA THR 28 7.814 -7.995 3.689 196 HB THR 28 HB THR 28 10.716 -8.794 3.333 197 HG1 THR 28 HG1 THR 28 9.832 -10.280 2.116 198 HG21 THR 28 HG21 THR 28 10.270 -10.416 5.157 199 HG22 THR 28 HG22 THR 28 8.695 -9.664 5.413 200 HG23 THR 28 HG23 THR 28 10.176 -8.743 5.710 201 H TRP 29 H TRP 29 7.424 -6.353 5.017 202 HA TRP 29 HA TRP 29 9.549 -4.632 5.978 203 HB2 TRP 29 HB2 TRP 29 7.363 -3.599 5.692 204 HB3 TRP 29 HB3 TRP 29 6.612 -4.809 6.720 205 HD1 TRP 29 HD1 TRP 29 8.715 -1.624 6.892 206 HE1 TRP 29 HE1 TRP 29 8.762 -0.761 9.318 207 HE3 TRP 29 HE3 TRP 29 6.391 -5.555 9.212 208 HZ2 TRP 29 HZ2 TRP 29 7.921 -1.625 11.869 209 HZ3 TRP 29 HZ3 TRP 29 6.057 -5.451 11.649 210 HH2 TRP 29 HH2 TRP 29 6.814 -3.527 12.944 211 H ARG 30 H ARG 30 10.672 -4.902 7.786 212 HA ARG 30 HA ARG 30 9.691 -6.810 9.800 213 HB2 ARG 30 HB2 ARG 30 12.549 -6.446 8.886 214 HB3 ARG 30 HB3 ARG 30 12.060 -7.377 10.290 215 HG2 ARG 30 HG2 ARG 30 10.708 -8.817 8.788 216 HG3 ARG 30 HG3 ARG 30 11.418 -7.959 7.428 217 HD2 ARG 30 HD2 ARG 30 12.640 -9.958 7.769 218 HD3 ARG 30 HD3 ARG 30 13.660 -8.619 8.275 219 HE ARG 30 HE ARG 30 12.173 -9.728 10.446 220 HH11 ARG 30 HH11 ARG 30 15.076 -10.225 8.527 221 HH12 ARG 30 HH12 ARG 30 15.881 -11.121 9.770 222 HH21 ARG 30 HH21 ARG 30 13.247 -10.906 12.055 223 HH22 ARG 30 HH22 ARG 30 14.846 -11.507 11.764 224 H SER 31 H SER 31 10.376 -6.346 11.988 225 HA SER 31 HA SER 31 10.288 -3.582 12.629 226 HB2 SER 31 HB2 SER 31 10.375 -4.299 14.946 227 HB3 SER 31 HB3 SER 31 9.380 -5.440 14.047 228 HG SER 31 HG SER 31 10.856 -6.475 15.462 229 H THR 32 H THR 32 12.052 -2.566 14.170 230 HA THR 32 HA THR 32 14.423 -2.301 12.714 231 HB THR 32 HB THR 32 15.366 -1.328 14.940 232 HG1 THR 32 HG1 THR 32 13.233 -2.394 15.912 233 HG21 THR 32 HG21 THR 32 14.265 0.774 14.499 234 HG22 THR 32 HG22 THR 32 12.949 -0.044 13.661 235 HG23 THR 32 HG23 THR 32 14.570 -0.038 12.962 236 H ASP 33 H ASP 33 13.662 -4.542 15.296 237 HA ASP 33 HA ASP 33 16.331 -5.744 15.085 238 HB2 ASP 33 HB2 ASP 33 14.027 -6.323 16.964 239 HB3 ASP 33 HB3 ASP 33 15.555 -7.195 16.973 240 H GLY 34 H GLY 34 12.989 -6.196 14.232 241 HA2 GLY 34 HA2 GLY 34 12.303 -7.425 12.336 242 HA3 GLY 34 HA3 GLY 34 13.696 -8.475 12.514 243 H ASP 35 H ASP 35 11.947 -7.785 15.395 244 HA ASP 35 HA ASP 35 11.112 -10.482 15.774 245 HB2 ASP 35 HB2 ASP 35 10.665 -7.903 17.260 246 HB3 ASP 35 HB3 ASP 35 9.797 -9.359 17.731 247 H LYS 36 H LYS 36 9.555 -7.590 14.548 248 HA LYS 36 HA LYS 36 7.091 -9.124 14.033 249 HB2 LYS 36 HB2 LYS 36 7.550 -6.129 14.132 250 HB3 LYS 36 HB3 LYS 36 6.056 -6.875 13.621 251 HG2 LYS 36 HG2 LYS 36 5.802 -7.889 15.824 252 HG3 LYS 36 HG3 LYS 36 7.309 -7.135 16.340 253 HD2 LYS 36 HD2 LYS 36 6.343 -4.920 15.940 254 HD3 LYS 36 HD3 LYS 36 4.841 -5.682 15.395 255 HE2 LYS 36 HE2 LYS 36 4.500 -6.644 17.579 256 HE3 LYS 36 HE3 LYS 36 6.041 -6.008 18.141 257 HZ1 LYS 36 HZ1 LYS 36 5.205 -3.772 17.855 258 HZ2 LYS 36 HZ2 LYS 36 4.181 -4.644 18.878 259 HZ3 LYS 36 HZ3 LYS 36 3.730 -4.361 17.271 260 H VAL 37 H VAL 37 6.374 -9.368 11.926 261 HA VAL 37 HA VAL 37 7.898 -8.114 9.781 262 HB VAL 37 HB VAL 37 9.252 -10.041 10.203 263 HG11 VAL 37 HG11 VAL 37 8.437 -12.359 10.057 264 HG12 VAL 37 HG12 VAL 37 6.783 -11.754 9.959 265 HG13 VAL 37 HG13 VAL 37 7.739 -11.475 11.415 266 HG21 VAL 37 HG21 VAL 37 8.661 -9.386 7.815 267 HG22 VAL 37 HG22 VAL 37 7.677 -10.853 7.785 268 HG23 VAL 37 HG23 VAL 37 9.417 -10.958 8.068 269 H HIS 38 H HIS 38 6.721 -7.672 8.023 270 HA HIS 38 HA HIS 38 4.154 -9.056 7.568 271 HB2 HIS 38 HB2 HIS 38 4.760 -6.093 7.399 272 HB3 HIS 38 HB3 HIS 38 3.352 -6.811 6.628 273 HD1 HIS 38 HD1 HIS 38 1.867 -8.314 8.522 274 HD2 HIS 38 HD2 HIS 38 4.158 -5.107 9.837 275 HE1 HIS 38 HE1 HIS 38 0.916 -7.681 10.761 276 HE2 HIS 38 HE2 HIS 38 2.385 -5.807 11.584 277 H THR 39 H THR 39 3.596 -9.383 5.342 278 HA THR 39 HA THR 39 5.813 -8.936 3.453 279 HB THR 39 HB THR 39 4.307 -11.536 3.818 280 HG1 THR 39 HG1 THR 39 5.872 -11.473 5.350 281 HG21 THR 39 HG21 THR 39 6.524 -10.854 1.878 282 HG22 THR 39 HG22 THR 39 4.841 -11.162 1.452 283 HG23 THR 39 HG23 THR 39 5.829 -12.457 2.127 284 H VAL 40 H VAL 40 5.261 -8.055 1.593 285 HA VAL 40 HA VAL 40 2.470 -8.201 0.629 286 HB VAL 40 HB VAL 40 4.651 -6.165 0.109 287 HG11 VAL 40 HG11 VAL 40 3.008 -6.520 -1.840 288 HG12 VAL 40 HG12 VAL 40 3.253 -4.874 -1.247 289 HG13 VAL 40 HG13 VAL 40 1.815 -5.775 -0.769 290 HG21 VAL 40 HG21 VAL 40 3.749 -5.952 2.313 291 HG22 VAL 40 HG22 VAL 40 2.109 -5.904 1.665 292 HG23 VAL 40 HG23 VAL 40 3.237 -4.596 1.309 293 H VAL 41 H VAL 41 2.380 -9.912 -0.830 294 HA VAL 41 HA VAL 41 4.581 -10.492 -2.617 295 HB VAL 41 HB VAL 41 1.781 -11.710 -2.540 296 HG11 VAL 41 HG11 VAL 41 2.772 -13.558 -3.844 297 HG12 VAL 41 HG12 VAL 41 4.285 -12.658 -3.957 298 HG13 VAL 41 HG13 VAL 41 2.828 -12.030 -4.723 299 HG21 VAL 41 HG21 VAL 41 2.906 -13.624 -1.438 300 HG22 VAL 41 HG22 VAL 41 2.988 -12.148 -0.474 301 HG23 VAL 41 HG23 VAL 41 4.404 -12.689 -1.383 302 H LEU 42 H LEU 42 4.804 -9.595 -4.625 303 HA LEU 42 HA LEU 42 3.038 -7.445 -5.251 304 HB2 LEU 42 HB2 LEU 42 5.530 -8.430 -6.617 305 HB3 LEU 42 HB3 LEU 42 4.553 -7.168 -7.315 306 HG LEU 42 HG LEU 42 6.617 -6.968 -5.333 307 HD11 LEU 42 HD11 LEU 42 4.962 -4.734 -6.438 308 HD12 LEU 42 HD12 LEU 42 6.193 -5.568 -7.387 309 HD13 LEU 42 HD13 LEU 42 6.644 -4.706 -5.921 310 HD21 LEU 42 HD21 LEU 42 5.570 -5.524 -3.710 311 HD22 LEU 42 HD22 LEU 42 4.804 -7.115 -3.689 312 HD23 LEU 42 HD23 LEU 42 4.002 -5.755 -4.481 313 H SER 43 H SER 43 3.337 -10.693 -6.504 314 HA SER 43 HA SER 43 1.901 -10.315 -8.938 315 HB2 SER 43 HB2 SER 43 1.567 -12.748 -8.904 316 HB3 SER 43 HB3 SER 43 3.233 -12.344 -8.491 317 HG SER 43 HG SER 43 1.134 -13.152 -6.762 318 H THR 44 H THR 44 0.956 -9.844 -5.822 319 HA THR 44 HA THR 44 -1.902 -10.270 -6.413 320 HB THR 44 HB THR 44 -2.343 -10.438 -4.061 321 HG1 THR 44 HG1 THR 44 -0.316 -10.395 -2.643 322 HG21 THR 44 HG21 THR 44 0.147 -12.029 -4.656 323 HG22 THR 44 HG22 THR 44 -1.506 -12.506 -5.058 324 HG23 THR 44 HG23 THR 44 -1.011 -12.377 -3.369 325 H ILE 45 H ILE 45 0.347 -8.007 -6.602 326 HA ILE 45 HA ILE 45 -1.263 -5.764 -5.548 327 HB ILE 45 HB ILE 45 1.719 -5.926 -6.078 328 HG12 ILE 45 HG12 ILE 45 1.119 -7.177 -4.071 329 HG13 ILE 45 HG13 ILE 45 2.014 -5.735 -3.638 330 HG21 ILE 45 HG21 ILE 45 0.291 -3.601 -4.811 331 HG22 ILE 45 HG22 ILE 45 0.789 -3.662 -6.500 332 HG23 ILE 45 HG23 ILE 45 2.005 -3.722 -5.222 333 HD11 ILE 45 HD11 ILE 45 -0.980 -6.018 -3.423 334 HD12 ILE 45 HD12 ILE 45 -0.003 -4.671 -2.843 335 HD13 ILE 45 HD13 ILE 45 0.152 -6.260 -2.101 336 H ASP 46 H ASP 46 -1.740 -4.062 -6.905 337 HA ASP 46 HA ASP 46 -1.119 -4.458 -9.759 338 HB2 ASP 46 HB2 ASP 46 -3.487 -4.779 -9.263 339 HB3 ASP 46 HB3 ASP 46 -3.568 -3.214 -8.485 340 H LYS 47 H LYS 47 -1.473 -2.037 -7.183 341 HA LYS 47 HA LYS 47 0.053 -0.142 -8.827 342 HB2 LYS 47 HB2 LYS 47 -2.407 0.493 -7.209 343 HB3 LYS 47 HB3 LYS 47 -1.375 1.702 -7.929 344 HG2 LYS 47 HG2 LYS 47 -1.963 0.939 -10.143 345 HG3 LYS 47 HG3 LYS 47 -2.853 -0.404 -9.443 346 HD2 LYS 47 HD2 LYS 47 -4.393 1.199 -8.366 347 HD3 LYS 47 HD3 LYS 47 -3.532 2.513 -9.161 348 HE2 LYS 47 HE2 LYS 47 -4.114 1.547 -11.344 349 HE3 LYS 47 HE3 LYS 47 -5.040 0.287 -10.528 350 HZ1 LYS 47 HZ1 LYS 47 -6.486 2.004 -9.617 351 HZ2 LYS 47 HZ2 LYS 47 -6.461 2.088 -11.307 352 HZ3 LYS 47 HZ3 LYS 47 -5.585 3.209 -10.392 353 H LEU 48 H LEU 48 0.828 1.786 -7.528 354 HA LEU 48 HA LEU 48 1.321 1.349 -4.683 355 HB2 LEU 48 HB2 LEU 48 3.868 2.084 -5.527 356 HB3 LEU 48 HB3 LEU 48 3.407 0.502 -4.953 357 HG LEU 48 HG LEU 48 2.859 -0.032 -7.397 358 HD11 LEU 48 HD11 LEU 48 3.159 1.542 -8.930 359 HD12 LEU 48 HD12 LEU 48 4.866 1.636 -8.485 360 HD13 LEU 48 HD13 LEU 48 3.685 2.679 -7.691 361 HD21 LEU 48 HD21 LEU 48 5.706 0.482 -6.611 362 HD22 LEU 48 HD22 LEU 48 5.112 -0.682 -7.794 363 HD23 LEU 48 HD23 LEU 48 4.746 -0.905 -6.085 364 H GLN 49 H GLN 49 1.310 3.326 -3.650 365 HA GLN 49 HA GLN 49 1.701 5.746 -5.295 366 HB2 GLN 49 HB2 GLN 49 -0.511 5.320 -3.255 367 HB3 GLN 49 HB3 GLN 49 -0.157 6.841 -4.044 368 HG2 GLN 49 HG2 GLN 49 -0.682 5.835 -6.217 369 HG3 GLN 49 HG3 GLN 49 -1.079 4.315 -5.426 370 HE21 GLN 49 HE21 GLN 49 -1.940 7.738 -5.571 371 HE22 GLN 49 HE22 GLN 49 -3.618 7.525 -5.214 372 H ALA 50 H ALA 50 3.293 6.987 -4.504 373 HA ALA 50 HA ALA 50 3.934 6.823 -1.628 374 HB1 ALA 50 HB1 ALA 50 5.757 7.421 -3.948 375 HB2 ALA 50 HB2 ALA 50 5.688 5.915 -3.028 376 HB3 ALA 50 HB3 ALA 50 6.240 7.396 -2.250 377 H THR 51 H THR 51 4.512 8.702 -0.480 378 HA THR 51 HA THR 51 3.143 11.100 -1.152 379 HB THR 51 HB THR 51 4.324 12.119 0.805 380 HG1 THR 51 HG1 THR 51 6.143 10.405 0.431 381 HG21 THR 51 HG21 THR 51 2.911 9.460 1.159 382 HG22 THR 51 HG22 THR 51 2.233 11.087 1.305 383 HG23 THR 51 HG23 THR 51 3.365 10.485 2.519 384 HA PRO 52 HA PRO 52 6.322 12.935 -3.914 385 HB2 PRO 52 HB2 PRO 52 4.771 15.388 -3.302 386 HB3 PRO 52 HB3 PRO 52 5.258 14.730 -4.864 387 HG2 PRO 52 HG2 PRO 52 2.782 14.534 -4.008 388 HG3 PRO 52 HG3 PRO 52 3.454 13.348 -4.908 389 HD2 PRO 52 HD2 PRO 52 2.899 13.299 -2.090 390 HD3 PRO 52 HD3 PRO 52 2.907 12.034 -3.124 391 H ALA 53 H ALA 53 7.907 14.664 -3.759 392 HA ALA 53 HA ALA 53 8.937 15.056 -1.113 393 HB1 ALA 53 HB1 ALA 53 10.386 14.717 -3.083 394 HB2 ALA 53 HB2 ALA 53 10.782 16.185 -2.191 395 HB3 ALA 53 HB3 ALA 53 9.877 16.289 -3.700 396 H SER 54 H SER 54 6.639 16.706 -2.928 397 HA SER 54 HA SER 54 6.995 19.224 -1.492 398 HB2 SER 54 HB2 SER 54 5.231 20.092 -2.934 399 HB3 SER 54 HB3 SER 54 6.491 19.326 -3.886 400 HG SER 54 HG SER 54 3.920 18.341 -3.274 401 H SER 55 H SER 55 5.433 16.261 -1.142 402 HA SER 55 HA SER 55 3.091 17.151 0.248 403 HB2 SER 55 HB2 SER 55 2.945 15.092 -0.919 404 HB3 SER 55 HB3 SER 55 4.338 14.434 -0.064 405 HG SER 55 HG SER 55 2.023 15.299 1.301 406 H GLU 56 H GLU 56 2.727 17.360 2.364 407 HA GLU 56 HA GLU 56 4.780 17.761 4.247 408 HB2 GLU 56 HB2 GLU 56 1.936 17.083 4.913 409 HB3 GLU 56 HB3 GLU 56 3.044 18.071 5.848 410 HG2 GLU 56 HG2 GLU 56 1.543 19.569 4.854 411 HG3 GLU 56 HG3 GLU 56 3.015 19.683 3.893 412 H LYS 57 H LYS 57 3.426 14.932 3.097 413 HA LYS 57 HA LYS 57 3.639 13.404 5.551 414 HB2 LYS 57 HB2 LYS 57 2.454 12.836 2.860 415 HB3 LYS 57 HB3 LYS 57 2.497 11.691 4.161 416 HG2 LYS 57 HG2 LYS 57 1.122 13.192 5.509 417 HG3 LYS 57 HG3 LYS 57 1.082 14.324 4.178 418 HD2 LYS 57 HD2 LYS 57 -0.620 13.269 3.259 419 HD3 LYS 57 HD3 LYS 57 0.253 11.733 3.290 420 HE2 LYS 57 HE2 LYS 57 -1.666 11.415 4.596 421 HE3 LYS 57 HE3 LYS 57 -0.325 11.581 5.728 422 HZ1 LYS 57 HZ1 LYS 57 -0.950 13.891 6.088 423 HZ2 LYS 57 HZ2 LYS 57 -2.237 12.859 6.462 424 HZ3 LYS 57 HZ3 LYS 57 -2.248 13.732 5.014 425 H MET 58 H MET 58 4.768 11.505 5.744 426 HA MET 58 HA MET 58 6.544 10.736 3.522 427 HB2 MET 58 HB2 MET 58 7.096 10.524 6.490 428 HB3 MET 58 HB3 MET 58 8.122 9.861 5.244 429 HG2 MET 58 HG2 MET 58 8.488 12.136 4.364 430 HG3 MET 58 HG3 MET 58 7.506 12.781 5.677 431 HE1 MET 58 HE1 MET 58 8.245 13.023 8.116 432 HE2 MET 58 HE2 MET 58 9.671 12.256 8.823 433 HE3 MET 58 HE3 MET 58 8.317 11.269 8.269 434 H MET 59 H MET 59 5.331 9.148 2.639 435 HA MET 59 HA MET 59 4.853 6.724 4.115 436 HB2 MET 59 HB2 MET 59 2.554 8.251 2.928 437 HB3 MET 59 HB3 MET 59 2.452 6.642 3.580 438 HG2 MET 59 HG2 MET 59 2.814 7.414 5.756 439 HG3 MET 59 HG3 MET 59 3.296 9.011 5.229 440 HE1 MET 59 HE1 MET 59 1.283 8.565 7.644 441 HE2 MET 59 HE2 MET 59 -0.172 9.491 7.295 442 HE3 MET 59 HE3 MET 59 1.424 10.225 7.081 443 H LEU 60 H LEU 60 4.331 4.932 2.818 444 HA LEU 60 HA LEU 60 4.331 5.334 -0.089 445 HB2 LEU 60 HB2 LEU 60 6.577 4.681 0.379 446 HB3 LEU 60 HB3 LEU 60 6.057 3.432 1.481 447 HG LEU 60 HG LEU 60 5.119 2.176 -0.462 448 HD11 LEU 60 HD11 LEU 60 4.876 4.194 -1.892 449 HD12 LEU 60 HD12 LEU 60 5.609 2.795 -2.675 450 HD13 LEU 60 HD13 LEU 60 6.623 4.148 -2.151 451 HD21 LEU 60 HD21 LEU 60 7.252 1.467 -1.422 452 HD22 LEU 60 HD22 LEU 60 7.326 1.578 0.342 453 HD23 LEU 60 HD23 LEU 60 8.049 2.847 -0.653 454 H ARG 61 H ARG 61 2.566 4.448 -0.932 455 HA ARG 61 HA ARG 61 1.074 2.482 0.656 456 HB2 ARG 61 HB2 ARG 61 0.230 4.373 -1.523 457 HB3 ARG 61 HB3 ARG 61 -0.813 3.102 -0.939 458 HG2 ARG 61 HG2 ARG 61 -0.632 4.063 1.322 459 HG3 ARG 61 HG3 ARG 61 0.275 5.403 0.637 460 HD2 ARG 61 HD2 ARG 61 -2.212 5.756 1.019 461 HD3 ARG 61 HD3 ARG 61 -1.578 6.190 -0.559 462 HE ARG 61 HE ARG 61 -2.667 3.512 -0.373 463 HH11 ARG 61 HH11 ARG 61 -3.352 6.853 -1.218 464 HH12 ARG 61 HH12 ARG 61 -4.742 6.444 -2.167 465 HH21 ARG 61 HH21 ARG 61 -4.489 3.006 -1.619 466 HH22 ARG 61 HH22 ARG 61 -5.384 4.273 -2.391 467 H LEU 62 H LEU 62 0.280 0.601 -0.215 468 HA LEU 62 HA LEU 62 1.252 -0.241 -2.861 469 HB2 LEU 62 HB2 LEU 62 1.503 -1.582 -0.197 470 HB3 LEU 62 HB3 LEU 62 1.303 -2.574 -1.621 471 HG LEU 62 HG LEU 62 3.629 -2.477 -0.991 472 HD11 LEU 62 HD11 LEU 62 4.610 -1.765 -3.080 473 HD12 LEU 62 HD12 LEU 62 3.144 -0.870 -3.479 474 HD13 LEU 62 HD13 LEU 62 3.094 -2.627 -3.346 475 HD21 LEU 62 HD21 LEU 62 4.959 -0.486 -0.953 476 HD22 LEU 62 HD22 LEU 62 3.599 -0.267 0.154 477 HD23 LEU 62 HD23 LEU 62 3.579 0.507 -1.427 478 H ILE 63 H ILE 63 -0.464 -0.564 -4.106 479 HA ILE 63 HA ILE 63 -3.105 -0.997 -2.974 480 HB ILE 63 HB ILE 63 -2.238 -0.593 -5.847 481 HG12 ILE 63 HG12 ILE 63 -1.752 1.387 -4.514 482 HG13 ILE 63 HG13 ILE 63 -3.052 1.707 -5.636 483 HG21 ILE 63 HG21 ILE 63 -5.006 -0.436 -4.681 484 HG22 ILE 63 HG22 ILE 63 -4.412 -1.652 -5.813 485 HG23 ILE 63 HG23 ILE 63 -4.563 0.031 -6.325 486 HD11 ILE 63 HD11 ILE 63 -3.557 2.751 -3.594 487 HD12 ILE 63 HD12 ILE 63 -3.267 1.258 -2.693 488 HD13 ILE 63 HD13 ILE 63 -4.651 1.385 -3.785 489 H GLY 64 H GLY 64 -4.354 -2.801 -3.177 490 HA2 GLY 64 HA2 GLY 64 -3.008 -5.267 -3.963 491 HA3 GLY 64 HA3 GLY 64 -4.492 -5.144 -3.038 492 H LYS 65 H LYS 65 -4.040 -6.899 -5.213 493 HA LYS 65 HA LYS 65 -5.288 -5.851 -7.571 494 HB2 LYS 65 HB2 LYS 65 -3.582 -7.513 -7.822 495 HB3 LYS 65 HB3 LYS 65 -4.470 -8.638 -6.800 496 HG2 LYS 65 HG2 LYS 65 -6.302 -8.591 -8.479 497 HG3 LYS 65 HG3 LYS 65 -5.241 -7.659 -9.532 498 HD2 LYS 65 HD2 LYS 65 -4.511 -10.341 -8.392 499 HD3 LYS 65 HD3 LYS 65 -5.293 -10.137 -9.955 500 HE2 LYS 65 HE2 LYS 65 -3.413 -8.750 -10.699 501 HE3 LYS 65 HE3 LYS 65 -2.649 -8.935 -9.124 502 HZ1 LYS 65 HZ1 LYS 65 -2.463 -11.305 -9.535 503 HZ2 LYS 65 HZ2 LYS 65 -1.710 -10.434 -10.775 504 HZ3 LYS 65 HZ3 LYS 65 -3.226 -11.136 -11.036 505 H VAL 66 H VAL 66 -7.318 -5.575 -7.845 506 HA VAL 66 HA VAL 66 -9.268 -7.386 -6.601 507 HB VAL 66 HB VAL 66 -9.261 -4.398 -6.796 508 HG11 VAL 66 HG11 VAL 66 -11.835 -5.884 -6.340 509 HG12 VAL 66 HG12 VAL 66 -11.411 -5.071 -7.846 510 HG13 VAL 66 HG13 VAL 66 -11.583 -4.131 -6.360 511 HG21 VAL 66 HG21 VAL 66 -10.247 -4.742 -4.464 512 HG22 VAL 66 HG22 VAL 66 -8.556 -5.184 -4.716 513 HG23 VAL 66 HG23 VAL 66 -9.801 -6.433 -4.669 514 H ASP 67 H ASP 67 -10.945 -8.087 -7.814 515 HA ASP 67 HA ASP 67 -10.769 -7.745 -10.702 516 HB2 ASP 67 HB2 ASP 67 -11.042 -10.029 -9.792 517 HB3 ASP 67 HB3 ASP 67 -12.560 -9.546 -9.052 518 H GLU 68 H GLU 68 -11.741 -5.981 -11.463 519 HA GLU 68 HA GLU 68 -14.009 -4.819 -10.076 520 HB2 GLU 68 HB2 GLU 68 -12.350 -3.886 -12.422 521 HB3 GLU 68 HB3 GLU 68 -13.746 -3.000 -11.825 522 HG2 GLU 68 HG2 GLU 68 -12.678 -2.732 -9.656 523 HG3 GLU 68 HG3 GLU 68 -11.287 -3.671 -10.199 524 H SER 69 H SER 69 -13.749 -7.189 -12.348 525 HA SER 69 HA SER 69 -15.986 -6.521 -14.030 526 HB2 SER 69 HB2 SER 69 -15.676 -8.668 -15.028 527 HB3 SER 69 HB3 SER 69 -14.065 -8.049 -14.677 528 HG SER 69 HG SER 69 -14.509 -9.310 -12.569 529 H LYS 70 H LYS 70 -15.794 -7.420 -10.852 530 HA LYS 70 HA LYS 70 -18.262 -8.979 -10.746 531 HB2 LYS 70 HB2 LYS 70 -16.357 -8.074 -8.575 532 HB3 LYS 70 HB3 LYS 70 -17.765 -9.072 -8.291 533 HG2 LYS 70 HG2 LYS 70 -16.830 -10.813 -9.714 534 HG3 LYS 70 HG3 LYS 70 -15.421 -9.813 -10.031 535 HD2 LYS 70 HD2 LYS 70 -14.870 -9.877 -7.620 536 HD3 LYS 70 HD3 LYS 70 -16.277 -10.896 -7.326 537 HE2 LYS 70 HE2 LYS 70 -15.305 -12.707 -8.541 538 HE3 LYS 70 HE3 LYS 70 -14.030 -11.671 -9.177 539 HZ1 LYS 70 HZ1 LYS 70 -13.140 -11.443 -6.950 540 HZ2 LYS 70 HZ2 LYS 70 -13.229 -13.077 -7.379 541 HZ3 LYS 70 HZ3 LYS 70 -14.374 -12.416 -6.322 542 H LYS 71 H LYS 71 -18.388 -6.320 -11.705 543 HA LYS 71 HA LYS 71 -19.009 -4.210 -10.126 544 HB2 LYS 71 HB2 LYS 71 -20.381 -5.059 -12.679 545 HB3 LYS 71 HB3 LYS 71 -20.618 -3.492 -11.934 546 HG2 LYS 71 HG2 LYS 71 -18.276 -2.958 -12.262 547 HG3 LYS 71 HG3 LYS 71 -17.998 -4.547 -12.964 548 HD2 LYS 71 HD2 LYS 71 -19.653 -3.986 -14.736 549 HD3 LYS 71 HD3 LYS 71 -19.764 -2.359 -14.065 550 HE2 LYS 71 HE2 LYS 71 -17.375 -3.692 -15.297 551 HE3 LYS 71 HE3 LYS 71 -18.242 -2.281 -15.899 552 HZ1 LYS 71 HZ1 LYS 71 -16.167 -1.654 -14.831 553 HZ2 LYS 71 HZ2 LYS 71 -16.650 -2.398 -13.389 554 HZ3 LYS 71 HZ3 LYS 71 -17.483 -1.041 -13.961 555 H ARG 72 H ARG 72 -20.444 -3.677 -8.646 556 HA ARG 72 HA ARG 72 -22.896 -5.279 -8.352 557 HB2 ARG 72 HB2 ARG 72 -21.266 -3.663 -6.381 558 HB3 ARG 72 HB3 ARG 72 -22.851 -4.313 -6.005 559 HG2 ARG 72 HG2 ARG 72 -22.035 -6.582 -6.322 560 HG3 ARG 72 HG3 ARG 72 -20.449 -5.961 -6.779 561 HD2 ARG 72 HD2 ARG 72 -20.520 -6.742 -4.441 562 HD3 ARG 72 HD3 ARG 72 -20.138 -5.026 -4.569 563 HE ARG 72 HE ARG 72 -22.699 -6.158 -3.663 564 HH11 ARG 72 HH11 ARG 72 -20.539 -3.398 -3.921 565 HH12 ARG 72 HH12 ARG 72 -21.485 -2.414 -2.853 566 HH21 ARG 72 HH21 ARG 72 -23.920 -4.852 -2.274 567 HH22 ARG 72 HH22 ARG 72 -23.396 -3.239 -1.921 568 H LYS 73 H LYS 73 -24.891 -4.195 -7.951 569 HA LYS 73 HA LYS 73 -24.906 -1.299 -8.468 570 HB2 LYS 73 HB2 LYS 73 -26.861 -3.348 -9.525 571 HB3 LYS 73 HB3 LYS 73 -27.115 -1.609 -9.604 572 HG2 LYS 73 HG2 LYS 73 -25.043 -1.387 -10.901 573 HG3 LYS 73 HG3 LYS 73 -24.866 -3.140 -10.881 574 HD2 LYS 73 HD2 LYS 73 -26.977 -3.363 -12.083 575 HD3 LYS 73 HD3 LYS 73 -27.164 -1.605 -12.076 576 HE2 LYS 73 HE2 LYS 73 -25.096 -1.378 -13.351 577 HE3 LYS 73 HE3 LYS 73 -24.900 -3.129 -13.343 578 HZ1 LYS 73 HZ1 LYS 73 -25.847 -2.340 -15.429 579 HZ2 LYS 73 HZ2 LYS 73 -27.147 -1.642 -14.603 580 HZ3 LYS 73 HZ3 LYS 73 -26.955 -3.321 -14.610 581 H ASP 74 H ASP 74 -26.362 -0.085 -7.305 582 HA ASP 74 HA ASP 74 -27.158 -1.234 -4.780 583 HB2 ASP 74 HB2 ASP 74 -27.544 1.055 -4.058 584 HB3 ASP 74 HB3 ASP 74 -26.006 0.958 -4.895 585 H ASN 75 H ASN 75 -29.400 0.257 -4.043 586 HA ASN 75 HA ASN 75 -31.478 -1.407 -4.852 587 HB2 ASN 75 HB2 ASN 75 -31.478 1.290 -3.516 588 HB3 ASN 75 HB3 ASN 75 -32.967 0.413 -3.825 589 HD21 ASN 75 HD21 ASN 75 -32.044 1.155 -1.251 590 HD22 ASN 75 HD22 ASN 75 -31.705 -0.290 -0.366 591 H GLU 76 H GLU 76 -30.435 1.618 -6.294 592 HA GLU 76 HA GLU 76 -32.909 1.897 -7.808 593 HB2 GLU 76 HB2 GLU 76 -30.461 3.661 -7.675 594 HB3 GLU 76 HB3 GLU 76 -31.896 4.022 -8.622 595 HG2 GLU 76 HG2 GLU 76 -33.230 4.088 -6.568 596 HG3 GLU 76 HG3 GLU 76 -31.787 3.723 -5.626 597 H GLY 77 H GLY 77 -29.715 0.661 -8.283 598 HA2 GLY 77 HA2 GLY 77 -29.317 -0.822 -10.133 599 HA3 GLY 77 HA3 GLY 77 -30.363 0.181 -11.117 600 H ASN 78 H ASN 78 -28.177 1.903 -9.121 601 HA ASN 78 HA ASN 78 -26.585 2.708 -11.420 602 HB2 ASN 78 HB2 ASN 78 -26.484 3.649 -8.540 603 HB3 ASN 78 HB3 ASN 78 -25.592 4.364 -9.878 604 HD21 ASN 78 HD21 ASN 78 -28.163 4.798 -7.975 605 HD22 ASN 78 HD22 ASN 78 -29.187 5.711 -9.023 606 H GLU 79 H GLU 79 -24.322 2.485 -11.564 607 HA GLU 79 HA GLU 79 -23.397 -0.040 -10.598 608 HB2 GLU 79 HB2 GLU 79 -22.842 0.901 -12.861 609 HB3 GLU 79 HB3 GLU 79 -21.806 2.072 -12.063 610 HG2 GLU 79 HG2 GLU 79 -20.329 0.397 -11.348 611 HG3 GLU 79 HG3 GLU 79 -21.438 -0.894 -11.783 612 H VAL 80 H VAL 80 -22.666 -0.368 -8.649 613 HA VAL 80 HA VAL 80 -20.848 1.610 -7.451 614 HB VAL 80 HB VAL 80 -22.599 -0.355 -5.944 615 HG11 VAL 80 HG11 VAL 80 -20.672 1.727 -4.932 616 HG12 VAL 80 HG12 VAL 80 -20.477 -0.022 -4.827 617 HG13 VAL 80 HG13 VAL 80 -21.768 0.778 -3.927 618 HG21 VAL 80 HG21 VAL 80 -23.837 1.530 -5.101 619 HG22 VAL 80 HG22 VAL 80 -23.845 1.588 -6.868 620 HG23 VAL 80 HG23 VAL 80 -22.780 2.653 -5.953 621 H VAL 81 H VAL 81 -18.894 0.933 -7.957 622 HA VAL 81 HA VAL 81 -18.413 -1.914 -8.188 623 HB VAL 81 HB VAL 81 -16.774 0.417 -9.154 624 HG11 VAL 81 HG11 VAL 81 -15.410 -1.233 -10.409 625 HG12 VAL 81 HG12 VAL 81 -16.205 -2.520 -9.502 626 HG13 VAL 81 HG13 VAL 81 -15.216 -1.324 -8.657 627 HG21 VAL 81 HG21 VAL 81 -18.344 -1.601 -10.751 628 HG22 VAL 81 HG22 VAL 81 -17.408 -0.254 -11.402 629 HG23 VAL 81 HG23 VAL 81 -18.842 0.057 -10.422 630 HA PRO 82 HA PRO 82 -16.262 -2.055 -4.220 631 HB2 PRO 82 HB2 PRO 82 -15.214 -4.603 -5.376 632 HB3 PRO 82 HB3 PRO 82 -15.972 -4.315 -3.806 633 HG2 PRO 82 HG2 PRO 82 -17.397 -5.441 -5.603 634 HG3 PRO 82 HG3 PRO 82 -18.078 -4.182 -4.817 635 HD2 PRO 82 HD2 PRO 82 -16.743 -4.024 -7.458 636 HD3 PRO 82 HD3 PRO 82 -18.257 -3.503 -7.135 637 H LYS 83 H LYS 83 -14.387 -1.224 -3.622 638 HA LYS 83 HA LYS 83 -12.452 -0.681 -5.731 639 HB2 LYS 83 HB2 LYS 83 -12.703 0.600 -3.026 640 HB3 LYS 83 HB3 LYS 83 -11.617 1.117 -4.286 641 HG2 LYS 83 HG2 LYS 83 -14.627 1.184 -4.476 642 HG3 LYS 83 HG3 LYS 83 -13.601 2.560 -4.098 643 HD2 LYS 83 HD2 LYS 83 -12.514 2.278 -6.308 644 HD3 LYS 83 HD3 LYS 83 -13.661 0.992 -6.680 645 HE2 LYS 83 HE2 LYS 83 -15.509 2.565 -6.504 646 HE3 LYS 83 HE3 LYS 83 -14.401 3.849 -6.027 647 HZ1 LYS 83 HZ1 LYS 83 -14.986 4.013 -8.363 648 HZ2 LYS 83 HZ2 LYS 83 -14.397 2.455 -8.650 649 HZ3 LYS 83 HZ3 LYS 83 -13.335 3.687 -8.190 650 HA PRO 84 HA PRO 84 -9.177 -3.185 -3.985 651 HB2 PRO 84 HB2 PRO 84 -6.970 -1.869 -4.808 652 HB3 PRO 84 HB3 PRO 84 -7.949 -2.846 -5.899 653 HG2 PRO 84 HG2 PRO 84 -7.938 0.063 -5.567 654 HG3 PRO 84 HG3 PRO 84 -7.974 -0.800 -6.953 655 HD2 PRO 84 HD2 PRO 84 -10.301 0.138 -5.928 656 HD3 PRO 84 HD3 PRO 84 -10.300 -1.293 -6.715 657 H GLN 85 H GLN 85 -7.652 -3.287 -2.366 658 HA GLN 85 HA GLN 85 -7.835 -1.157 -0.380 659 HB2 GLN 85 HB2 GLN 85 -6.720 -3.964 -0.177 660 HB3 GLN 85 HB3 GLN 85 -6.837 -2.831 1.159 661 HG2 GLN 85 HG2 GLN 85 -9.262 -2.834 0.980 662 HG3 GLN 85 HG3 GLN 85 -9.171 -3.911 -0.410 663 HE21 GLN 85 HE21 GLN 85 -10.724 -4.886 1.342 664 HE22 GLN 85 HE22 GLN 85 -10.001 -6.100 2.338 665 H ARG 86 H ARG 86 -6.024 -0.293 0.701 666 HA ARG 86 HA ARG 86 -3.532 -0.303 -0.881 667 HB2 ARG 86 HB2 ARG 86 -3.095 1.879 0.256 668 HB3 ARG 86 HB3 ARG 86 -4.487 1.893 -0.804 669 HG2 ARG 86 HG2 ARG 86 -5.673 2.755 0.859 670 HG3 ARG 86 HG3 ARG 86 -5.440 1.269 1.771 671 HD2 ARG 86 HD2 ARG 86 -3.198 3.189 1.823 672 HD3 ARG 86 HD3 ARG 86 -4.687 3.717 2.599 673 HE ARG 86 HE ARG 86 -2.904 1.602 3.471 674 HH11 ARG 86 HH11 ARG 86 -6.068 3.076 3.875 675 HH12 ARG 86 HH12 ARG 86 -6.314 2.387 5.445 676 HH21 ARG 86 HH21 ARG 86 -3.250 0.711 5.525 677 HH22 ARG 86 HH22 ARG 86 -4.720 1.050 6.378 678 H HIS 87 H HIS 87 -1.532 -0.345 0.196 679 HA HIS 87 HA HIS 87 -1.525 -1.027 3.070 680 HB2 HIS 87 HB2 HIS 87 0.308 -2.135 0.923 681 HB3 HIS 87 HB3 HIS 87 0.472 -2.447 2.642 682 HD1 HIS 87 HD1 HIS 87 -1.376 -4.000 3.719 683 HD2 HIS 87 HD2 HIS 87 -1.454 -3.748 -0.430 684 HE1 HIS 87 HE1 HIS 87 -2.743 -5.964 2.952 685 HE2 HIS 87 HE2 HIS 87 -2.726 -5.826 0.435 686 H MET 88 H MET 88 -0.629 0.662 4.146 687 HA MET 88 HA MET 88 1.218 2.394 2.643 688 HB2 MET 88 HB2 MET 88 -0.954 3.410 3.246 689 HB3 MET 88 HB3 MET 88 -0.604 3.127 4.929 690 HG2 MET 88 HG2 MET 88 1.479 4.610 4.548 691 HG3 MET 88 HG3 MET 88 0.670 5.098 3.071 692 HE1 MET 88 HE1 MET 88 -1.359 6.475 2.856 693 HE2 MET 88 HE2 MET 88 -2.375 7.070 4.159 694 HE3 MET 88 HE3 MET 88 -2.419 5.363 3.720 695 H PHE 89 H PHE 89 3.116 2.922 3.357 696 HA PHE 89 HA PHE 89 3.999 2.046 6.035 697 HB2 PHE 89 HB2 PHE 89 5.604 2.296 3.464 698 HB3 PHE 89 HB3 PHE 89 6.288 1.911 5.033 699 HD1 PHE 89 HD1 PHE 89 4.361 0.653 2.203 700 HD2 PHE 89 HD2 PHE 89 5.990 -0.304 6.010 701 HE1 PHE 89 HE1 PHE 89 4.011 -1.733 1.726 702 HE2 PHE 89 HE2 PHE 89 5.631 -2.698 5.558 703 HZ PHE 89 HZ PHE 89 4.640 -3.412 3.423 704 H SER 90 H SER 90 5.800 3.486 6.926 705 HA SER 90 HA SER 90 5.554 6.252 5.921 706 HB2 SER 90 HB2 SER 90 6.011 5.341 8.754 707 HB3 SER 90 HB3 SER 90 6.071 7.018 8.229 708 HG SER 90 HG SER 90 4.026 6.643 8.981 709 H PHE 91 H PHE 91 7.406 7.530 5.848 710 HA PHE 91 HA PHE 91 9.954 6.049 5.901 711 HB2 PHE 91 HB2 PHE 91 8.735 7.642 3.661 712 HB3 PHE 91 HB3 PHE 91 10.475 7.434 3.765 713 HD1 PHE 91 HD1 PHE 91 7.448 5.247 4.103 714 HD2 PHE 91 HD2 PHE 91 11.318 5.789 2.407 715 HE1 PHE 91 HE1 PHE 91 7.253 3.077 2.953 716 HE2 PHE 91 HE2 PHE 91 11.122 3.618 1.256 717 HZ PHE 91 HZ PHE 91 9.084 2.266 1.532 718 H ASN 92 H ASN 92 11.846 7.641 5.455 719 HA ASN 92 HA ASN 92 11.412 10.169 6.905 720 HB2 ASN 92 HB2 ASN 92 13.768 8.273 7.099 721 HB3 ASN 92 HB3 ASN 92 13.762 9.892 7.781 722 HD21 ASN 92 HD21 ASN 92 12.987 6.647 8.265 723 HD22 ASN 92 HD22 ASN 92 12.150 6.807 9.768 724 H ASN 93 H ASN 93 12.502 8.667 4.054 725 HA ASN 93 HA ASN 93 13.551 11.197 3.025 726 HB2 ASN 93 HB2 ASN 93 15.496 9.785 3.801 727 HB3 ASN 93 HB3 ASN 93 15.039 8.593 2.589 728 HD21 ASN 93 HD21 ASN 93 17.528 9.687 2.563 729 HD22 ASN 93 HD22 ASN 93 17.702 10.742 1.207 730 H ARG 94 H ARG 94 13.209 11.521 0.842 731 HA ARG 94 HA ARG 94 11.180 9.886 -0.390 732 HB2 ARG 94 HB2 ARG 94 12.483 12.483 -1.101 733 HB3 ARG 94 HB3 ARG 94 11.547 11.612 -2.307 734 HG2 ARG 94 HG2 ARG 94 10.042 13.129 -1.387 735 HG3 ARG 94 HG3 ARG 94 9.657 11.609 -0.590 736 HD2 ARG 94 HD2 ARG 94 10.847 12.290 1.383 737 HD3 ARG 94 HD3 ARG 94 11.431 13.742 0.586 738 HE ARG 94 HE ARG 94 8.543 13.410 0.880 739 HH11 ARG 94 HH11 ARG 94 11.465 15.063 1.916 740 HH12 ARG 94 HH12 ARG 94 10.600 16.332 2.717 741 HH21 ARG 94 HH21 ARG 94 7.432 15.084 1.935 742 HH22 ARG 94 HH22 ARG 94 8.319 16.343 2.725 743 H THR 95 H THR 95 14.597 10.045 -0.557 744 HA THR 95 HA THR 95 14.875 9.084 -3.255 745 HB THR 95 HB THR 95 17.274 8.880 -2.737 746 HG1 THR 95 HG1 THR 95 17.785 8.490 -0.724 747 HG21 THR 95 HG21 THR 95 16.431 11.117 -3.311 748 HG22 THR 95 HG22 THR 95 17.762 11.218 -2.159 749 HG23 THR 95 HG23 THR 95 16.100 11.432 -1.608 750 H VAL 96 H VAL 96 14.350 7.624 -0.158 751 HA VAL 96 HA VAL 96 15.189 4.972 -0.975 752 HB VAL 96 HB VAL 96 13.542 5.789 1.447 753 HG11 VAL 96 HG11 VAL 96 13.247 3.411 0.718 754 HG12 VAL 96 HG12 VAL 96 13.925 3.594 2.331 755 HG13 VAL 96 HG13 VAL 96 14.973 3.172 0.976 756 HG21 VAL 96 HG21 VAL 96 15.861 6.687 1.438 757 HG22 VAL 96 HG22 VAL 96 16.463 5.033 1.341 758 HG23 VAL 96 HG23 VAL 96 15.548 5.558 2.758 759 H MET 97 H MET 97 11.988 6.384 -0.097 760 HA MET 97 HA MET 97 10.339 4.323 -0.880 761 HB2 MET 97 HB2 MET 97 8.527 5.919 -1.057 762 HB3 MET 97 HB3 MET 97 9.559 6.357 0.290 763 HG2 MET 97 HG2 MET 97 10.579 8.088 -0.998 764 HG3 MET 97 HG3 MET 97 9.618 7.667 -2.407 765 HE1 MET 97 HE1 MET 97 9.793 9.435 1.007 766 HE2 MET 97 HE2 MET 97 8.681 8.154 1.493 767 HE3 MET 97 HE3 MET 97 8.116 9.822 1.388 768 H ASP 98 H ASP 98 11.642 6.866 -2.985 769 HA ASP 98 HA ASP 98 10.280 6.003 -5.341 770 HB2 ASP 98 HB2 ASP 98 12.682 7.767 -4.834 771 HB3 ASP 98 HB3 ASP 98 12.174 7.370 -6.468 772 H ASN 99 H ASN 99 13.184 4.935 -3.768 773 HA ASN 99 HA ASN 99 14.130 3.422 -6.066 774 HB2 ASN 99 HB2 ASN 99 15.196 4.256 -3.469 775 HB3 ASN 99 HB3 ASN 99 15.613 2.601 -3.865 776 HD21 ASN 99 HD21 ASN 99 16.244 5.913 -4.478 777 HD22 ASN 99 HD22 ASN 99 17.462 5.692 -5.683 778 H ILE 100 H ILE 100 12.453 2.773 -2.985 779 HA ILE 100 HA ILE 100 12.415 -0.077 -3.275 780 HB ILE 100 HB ILE 100 10.552 1.737 -1.694 781 HG12 ILE 100 HG12 ILE 100 12.765 1.821 -0.744 782 HG13 ILE 100 HG13 ILE 100 11.753 0.878 0.315 783 HG21 ILE 100 HG21 ILE 100 9.588 -0.108 -0.600 784 HG22 ILE 100 HG22 ILE 100 10.779 -1.228 -1.259 785 HG23 ILE 100 HG23 ILE 100 9.565 -0.518 -2.316 786 HD11 ILE 100 HD11 ILE 100 13.942 -0.088 0.196 787 HD12 ILE 100 HD12 ILE 100 13.868 -0.151 -1.565 788 HD13 ILE 100 HD13 ILE 100 12.798 -1.170 -0.602 789 H LYS 101 H LYS 101 9.939 2.437 -3.875 790 HA LYS 101 HA LYS 101 7.999 1.003 -5.202 791 HB2 LYS 101 HB2 LYS 101 7.755 3.322 -4.484 792 HB3 LYS 101 HB3 LYS 101 8.906 3.831 -5.710 793 HG2 LYS 101 HG2 LYS 101 7.318 2.939 -7.439 794 HG3 LYS 101 HG3 LYS 101 6.156 2.693 -6.136 795 HD2 LYS 101 HD2 LYS 101 6.113 5.057 -5.660 796 HD3 LYS 101 HD3 LYS 101 7.425 5.340 -6.797 797 HE2 LYS 101 HE2 LYS 101 5.964 4.640 -8.644 798 HE3 LYS 101 HE3 LYS 101 4.654 4.387 -7.496 799 HZ1 LYS 101 HZ1 LYS 101 4.738 6.751 -6.953 800 HZ2 LYS 101 HZ2 LYS 101 4.441 6.516 -8.602 801 HZ3 LYS 101 HZ3 LYS 101 5.980 6.981 -8.079 802 H MET 102 H MET 102 10.896 2.501 -6.594 803 HA MET 102 HA MET 102 10.550 1.979 -9.288 804 HB2 MET 102 HB2 MET 102 12.379 3.298 -8.380 805 HB3 MET 102 HB3 MET 102 13.072 1.889 -7.635 806 HG2 MET 102 HG2 MET 102 13.334 0.970 -10.007 807 HG3 MET 102 HG3 MET 102 12.950 2.610 -10.533 808 HE1 MET 102 HE1 MET 102 15.617 0.210 -9.165 809 HE2 MET 102 HE2 MET 102 15.248 1.040 -7.654 810 HE3 MET 102 HE3 MET 102 16.816 1.271 -8.428 811 H THR 103 H THR 103 12.232 -0.202 -6.965 812 HA THR 103 HA THR 103 12.515 -2.386 -8.705 813 HB THR 103 HB THR 103 12.153 -2.583 -5.702 814 HG1 THR 103 HG1 THR 103 14.631 -2.529 -5.984 815 HG21 THR 103 HG21 THR 103 12.178 -4.761 -6.845 816 HG22 THR 103 HG22 THR 103 13.645 -4.537 -5.895 817 HG23 THR 103 HG23 THR 103 13.689 -4.328 -7.645 818 H LEU 104 H LEU 104 10.049 -1.940 -6.141 819 HA LEU 104 HA LEU 104 8.284 -3.953 -6.544 820 HB2 LEU 104 HB2 LEU 104 7.659 -1.027 -6.070 821 HB3 LEU 104 HB3 LEU 104 6.491 -2.300 -5.855 822 HG LEU 104 HG LEU 104 9.017 -1.961 -4.248 823 HD11 LEU 104 HD11 LEU 104 6.229 -1.042 -3.882 824 HD12 LEU 104 HD12 LEU 104 7.737 -0.336 -3.307 825 HD13 LEU 104 HD13 LEU 104 7.035 -1.711 -2.469 826 HD21 LEU 104 HD21 LEU 104 6.744 -3.735 -3.497 827 HD22 LEU 104 HD22 LEU 104 8.426 -3.783 -2.970 828 HD23 LEU 104 HD23 LEU 104 8.000 -4.324 -4.588 829 H GLN 105 H GLN 105 8.010 -0.793 -8.126 830 HA GLN 105 HA GLN 105 5.997 -1.231 -9.954 831 HB2 GLN 105 HB2 GLN 105 7.160 0.936 -9.465 832 HB3 GLN 105 HB3 GLN 105 8.481 0.422 -10.491 833 HG2 GLN 105 HG2 GLN 105 6.989 0.351 -12.414 834 HG3 GLN 105 HG3 GLN 105 5.634 0.793 -11.382 835 HE21 GLN 105 HE21 GLN 105 5.814 2.408 -13.355 836 HE22 GLN 105 HE22 GLN 105 6.587 3.901 -12.965 837 H GLN 106 H GLN 106 9.346 -2.217 -10.237 838 HA GLN 106 HA GLN 106 9.142 -3.010 -13.009 839 HB2 GLN 106 HB2 GLN 106 11.308 -3.206 -10.915 840 HB3 GLN 106 HB3 GLN 106 11.471 -3.978 -12.480 841 HG2 GLN 106 HG2 GLN 106 11.241 -1.838 -13.590 842 HG3 GLN 106 HG3 GLN 106 11.066 -1.019 -12.046 843 HE21 GLN 106 HE21 GLN 106 12.936 0.120 -13.220 844 HE22 GLN 106 HE22 GLN 106 14.523 -0.455 -12.851 845 H ILE 107 H ILE 107 8.595 -4.439 -9.929 846 HA ILE 107 HA ILE 107 8.730 -7.183 -10.823 847 HB ILE 107 HB ILE 107 7.839 -5.926 -8.208 848 HG12 ILE 107 HG12 ILE 107 10.239 -7.683 -8.790 849 HG13 ILE 107 HG13 ILE 107 10.293 -5.939 -8.824 850 HG21 ILE 107 HG21 ILE 107 6.550 -7.978 -8.612 851 HG22 ILE 107 HG22 ILE 107 7.655 -8.138 -7.249 852 HG23 ILE 107 HG23 ILE 107 8.056 -8.879 -8.801 853 HD11 ILE 107 HD11 ILE 107 11.199 -6.934 -6.748 854 HD12 ILE 107 HD12 ILE 107 9.580 -7.526 -6.377 855 HD13 ILE 107 HD13 ILE 107 9.880 -5.792 -6.480 856 H ILE 108 H ILE 108 6.131 -4.825 -10.111 857 HA ILE 108 HA ILE 108 3.985 -6.692 -10.423 858 HB ILE 108 HB ILE 108 3.930 -3.657 -10.541 859 HG12 ILE 108 HG12 ILE 108 2.872 -5.418 -8.360 860 HG13 ILE 108 HG13 ILE 108 4.557 -4.971 -8.394 861 HG21 ILE 108 HG21 ILE 108 1.501 -3.822 -10.268 862 HG22 ILE 108 HG22 ILE 108 1.606 -5.587 -10.314 863 HG23 ILE 108 HG23 ILE 108 2.003 -4.641 -11.752 864 HD11 ILE 108 HD11 ILE 108 2.302 -2.998 -8.335 865 HD12 ILE 108 HD12 ILE 108 4.025 -2.663 -8.167 866 HD13 ILE 108 HD13 ILE 108 3.177 -3.565 -6.915 867 H SER 109 H SER 109 5.624 -4.470 -12.581 868 HA SER 109 HA SER 109 3.993 -4.785 -14.869 869 HB2 SER 109 HB2 SER 109 5.865 -3.871 -16.129 870 HB3 SER 109 HB3 SER 109 5.688 -2.997 -14.607 871 HG SER 109 HG SER 109 7.574 -3.715 -13.976 872 H ARG 110 H ARG 110 6.276 -6.924 -13.402 873 HA ARG 110 HA ARG 110 6.649 -8.660 -15.670 874 HB2 ARG 110 HB2 ARG 110 7.120 -9.053 -12.709 875 HB3 ARG 110 HB3 ARG 110 7.442 -10.303 -13.898 876 HG2 ARG 110 HG2 ARG 110 9.110 -8.904 -14.958 877 HG3 ARG 110 HG3 ARG 110 8.740 -7.585 -13.853 878 HD2 ARG 110 HD2 ARG 110 9.480 -8.935 -11.969 879 HD3 ARG 110 HD3 ARG 110 9.801 -10.291 -13.049 880 HE ARG 110 HE ARG 110 11.303 -8.248 -14.058 881 HH11 ARG 110 HH11 ARG 110 11.132 -9.806 -10.913 882 HH12 ARG 110 HH12 ARG 110 12.795 -9.501 -10.546 883 HH21 ARG 110 HH21 ARG 110 13.479 -7.862 -13.553 884 HH22 ARG 110 HH22 ARG 110 14.121 -8.401 -12.038 885 H TYR 111 H TYR 111 4.527 -8.621 -12.823 886 HA TYR 111 HA TYR 111 3.052 -10.967 -13.687 887 HB2 TYR 111 HB2 TYR 111 2.478 -9.073 -11.403 888 HB3 TYR 111 HB3 TYR 111 1.722 -10.636 -11.680 889 HD1 TYR 111 HD1 TYR 111 4.467 -8.927 -10.157 890 HD2 TYR 111 HD2 TYR 111 3.226 -12.712 -11.663 891 HE1 TYR 111 HE1 TYR 111 6.221 -10.023 -8.833 892 HE2 TYR 111 HE2 TYR 111 4.982 -13.813 -10.345 893 HH TYR 111 HH TYR 111 6.689 -12.224 -7.880 894 H LYS 112 H LYS 112 3.112 -7.861 -14.678 895 HA LYS 112 HA LYS 112 0.256 -7.443 -15.061 896 HB2 LYS 112 HB2 LYS 112 1.776 -5.602 -14.390 897 HB3 LYS 112 HB3 LYS 112 2.633 -5.779 -15.913 898 HG2 LYS 112 HG2 LYS 112 1.178 -3.938 -16.167 899 HG3 LYS 112 HG3 LYS 112 0.456 -5.262 -17.057 900 HD2 LYS 112 HD2 LYS 112 -1.115 -5.674 -15.237 901 HD3 LYS 112 HD3 LYS 112 -0.351 -4.417 -14.269 902 HE2 LYS 112 HE2 LYS 112 -1.025 -2.763 -16.038 903 HE3 LYS 112 HE3 LYS 112 -1.930 -4.054 -16.822 904 HZ1 LYS 112 HZ1 LYS 112 -2.405 -3.132 -14.039 905 HZ2 LYS 112 HZ2 LYS 112 -3.335 -4.242 -14.910 906 HZ3 LYS 112 HZ3 LYS 112 -3.298 -2.620 -15.381 907 H ASP 113 H ASP 113 3.130 -8.366 -16.818 908 HA ASP 113 HA ASP 113 1.828 -8.426 -19.404 909 HB2 ASP 113 HB2 ASP 113 4.596 -9.056 -18.400 910 HB3 ASP 113 HB3 ASP 113 4.104 -9.432 -20.038 911 H ALA 114 H ALA 114 2.878 -10.660 -16.882 912 HA ALA 114 HA ALA 114 2.584 -12.854 -16.484 913 HB1 ALA 114 HB1 ALA 114 0.405 -13.785 -16.923 914 HB2 ALA 114 HB2 ALA 114 0.086 -12.551 -18.142 915 HB3 ALA 114 HB3 ALA 114 0.240 -12.093 -16.447 916 H ASP 115 H ASP 115 4.374 -13.617 -17.523 917 HA ASP 115 HA ASP 115 3.928 -14.876 -20.151 918 HB2 ASP 115 HB2 ASP 115 5.743 -13.198 -20.138 919 HB3 ASP 115 HB3 ASP 115 6.561 -14.114 -18.879 920 H1 GLY 519 H1 GLY 519 2.264 17.450 30.337 921 H2 GLY 519 H2 GLY 519 1.684 18.576 31.459 922 H3 GLY 519 H3 GLY 519 1.110 18.596 29.868 923 HA2 GLY 519 HA2 GLY 519 0.092 16.422 30.175 924 HA3 GLY 519 HA3 GLY 519 0.685 16.407 31.829 925 H SER 520 H SER 520 -2.017 16.743 30.149 926 HA SER 520 HA SER 520 -3.155 18.827 31.894 927 HB2 SER 520 HB2 SER 520 -3.383 19.454 29.576 928 HB3 SER 520 HB3 SER 520 -4.029 17.868 29.158 929 HG SER 520 HG SER 520 -5.599 19.625 29.440 930 HA PRO 521 HA PRO 521 -5.381 15.362 33.761 931 HB2 PRO 521 HB2 PRO 521 -6.846 16.801 35.557 932 HB3 PRO 521 HB3 PRO 521 -5.139 16.426 35.783 933 HG2 PRO 521 HG2 PRO 521 -6.366 18.896 34.854 934 HG3 PRO 521 HG3 PRO 521 -5.072 18.701 35.831 935 HD2 PRO 521 HD2 PRO 521 -4.887 19.348 33.348 936 HD3 PRO 521 HD3 PRO 521 -3.694 18.593 34.169 937 H GLY 522 H GLY 522 -7.191 14.307 33.195 938 HA2 GLY 522 HA2 GLY 522 -9.756 14.821 33.135 939 HA3 GLY 522 HA3 GLY 522 -9.275 15.780 31.744 940 H TYR 523 H TYR 523 -9.724 14.796 29.911 941 HA TYR 523 HA TYR 523 -9.338 11.881 29.711 942 HB2 TYR 523 HB2 TYR 523 -11.505 13.534 28.376 943 HB3 TYR 523 HB3 TYR 523 -11.270 11.803 28.177 944 HD1 TYR 523 HD1 TYR 523 -12.784 14.396 30.157 945 HD2 TYR 523 HD2 TYR 523 -11.629 10.298 30.192 946 HE1 TYR 523 HE1 TYR 523 -14.301 13.989 32.050 947 HE2 TYR 523 HE2 TYR 523 -13.140 9.885 32.086 948 HH TYR 523 HH TYR 523 -15.501 12.110 33.076 949 HA PRO 524 HA PRO 524 -6.631 13.874 26.488 950 HB2 PRO 524 HB2 PRO 524 -4.533 12.189 26.667 951 HB3 PRO 524 HB3 PRO 524 -4.757 13.532 27.793 952 HG2 PRO 524 HG2 PRO 524 -5.371 10.690 28.224 953 HG3 PRO 524 HG3 PRO 524 -4.676 11.743 29.261 954 HD2 PRO 524 HD2 PRO 524 -7.267 11.189 29.409 955 HD3 PRO 524 HD3 PRO 524 -6.690 12.644 29.876 956 H ASN 525 H ASN 525 -8.572 11.296 26.462 957 HA ASN 525 HA ASN 525 -9.350 9.833 24.910 958 HB2 ASN 525 HB2 ASN 525 -7.555 11.358 23.003 959 HB3 ASN 525 HB3 ASN 525 -8.733 10.152 22.508 960 HD21 ASN 525 HD21 ASN 525 -8.191 13.370 22.898 961 HD22 ASN 525 HD22 ASN 525 -9.822 13.936 22.964 962 H GLY 526 H GLY 526 -8.731 7.999 23.421 963 HA2 GLY 526 HA2 GLY 526 -6.403 6.652 24.565 964 HA3 GLY 526 HA3 GLY 526 -7.690 5.900 23.640 965 H LEU 527 H LEU 527 -5.254 8.435 23.121 966 HA LEU 527 HA LEU 527 -4.430 7.079 20.630 967 HB2 LEU 527 HB2 LEU 527 -4.715 10.059 21.112 968 HB3 LEU 527 HB3 LEU 527 -3.980 9.348 19.694 969 HG LEU 527 HG LEU 527 -6.876 8.921 20.451 970 HD11 LEU 527 HD11 LEU 527 -5.655 10.872 18.501 971 HD12 LEU 527 HD12 LEU 527 -6.493 11.276 19.999 972 HD13 LEU 527 HD13 LEU 527 -7.379 10.533 18.668 973 HD21 LEU 527 HD21 LEU 527 -5.384 8.433 17.868 974 HD22 LEU 527 HD22 LEU 527 -7.105 8.166 18.142 975 HD23 LEU 527 HD23 LEU 527 -5.915 7.186 18.997 976 H LEU 528 H LEU 528 -2.420 6.389 20.821 977 HA LEU 528 HA LEU 528 -0.466 8.020 22.305 978 HB2 LEU 528 HB2 LEU 528 -0.416 5.039 21.762 979 HB3 LEU 528 HB3 LEU 528 0.837 5.928 22.599 980 HG LEU 528 HG LEU 528 -1.996 5.586 23.605 981 HD11 LEU 528 HD11 LEU 528 -0.998 4.102 25.298 982 HD12 LEU 528 HD12 LEU 528 0.549 4.204 24.456 983 HD13 LEU 528 HD13 LEU 528 -0.840 3.457 23.666 984 HD21 LEU 528 HD21 LEU 528 0.448 6.745 24.934 985 HD22 LEU 528 HD22 LEU 528 -1.126 6.507 25.690 986 HD23 LEU 528 HD23 LEU 528 -0.952 7.652 24.362 987 H SER 529 H SER 529 -1.525 7.248 19.321 988 HA SER 529 HA SER 529 0.738 8.275 17.927 989 HB2 SER 529 HB2 SER 529 1.643 6.027 18.172 990 HB3 SER 529 HB3 SER 529 0.138 5.315 17.591 991 HG SER 529 HG SER 529 1.708 7.086 16.033 992 H GLY 530 H GLY 530 -2.101 6.136 17.446 993 HA2 GLY 530 HA2 GLY 530 -4.007 6.414 16.194 994 HA3 GLY 530 HA3 GLY 530 -3.597 8.115 16.066 995 H ASP 531 H ASP 531 -2.721 4.925 14.720 996 HA ASP 531 HA ASP 531 -2.382 6.194 12.096 997 HB2 ASP 531 HB2 ASP 531 -0.441 4.290 13.411 998 HB3 ASP 531 HB3 ASP 531 -0.414 4.657 11.692 999 H GLU 532 H GLU 532 -3.959 3.909 13.846 1000 HA GLU 532 HA GLU 532 -4.204 2.022 11.639 1001 HB2 GLU 532 HB2 GLU 532 -4.831 1.745 14.564 1002 HB3 GLU 532 HB3 GLU 532 -5.180 0.518 13.376 1003 HG2 GLU 532 HG2 GLU 532 -2.838 0.240 12.920 1004 HG3 GLU 532 HG3 GLU 532 -2.438 1.576 13.992 1005 H ASP 533 H ASP 533 -5.730 4.555 13.032 1006 HA ASP 533 HA ASP 533 -8.405 3.709 12.124 1007 HB2 ASP 533 HB2 ASP 533 -7.701 5.675 14.320 1008 HB3 ASP 533 HB3 ASP 533 -9.333 5.284 13.794 1009 H PHE 534 H PHE 534 -5.918 6.141 12.006 1010 HA PHE 534 HA PHE 534 -7.589 8.038 10.562 1011 HB2 PHE 534 HB2 PHE 534 -4.735 8.194 11.543 1012 HB3 PHE 534 HB3 PHE 534 -5.513 9.475 10.623 1013 HD1 PHE 534 HD1 PHE 534 -5.277 7.805 13.852 1014 HD2 PHE 534 HD2 PHE 534 -7.310 10.807 11.619 1015 HE1 PHE 534 HE1 PHE 534 -6.171 8.749 15.941 1016 HE2 PHE 534 HE2 PHE 534 -8.206 11.755 13.705 1017 HZ PHE 534 HZ PHE 534 -7.636 10.727 15.868 1018 H SER 535 H SER 535 -5.864 5.360 9.704 1019 HA SER 535 HA SER 535 -4.768 6.318 7.218 1020 HB2 SER 535 HB2 SER 535 -4.194 4.001 6.778 1021 HB3 SER 535 HB3 SER 535 -3.739 4.411 8.427 1022 HG SER 535 HG SER 535 -5.702 3.395 9.102 1023 H SER 536 H SER 536 -7.853 5.717 8.249 1024 HA SER 536 HA SER 536 -8.921 4.716 5.741 1025 HB2 SER 536 HB2 SER 536 -11.112 4.871 6.879 1026 HB3 SER 536 HB3 SER 536 -9.943 3.971 7.844 1027 HG SER 536 HG SER 536 -10.574 6.715 8.201 1028 H ILE 537 H ILE 537 -8.757 7.739 7.549 1029 HA ILE 537 HA ILE 537 -10.108 9.207 5.434 1030 HB ILE 537 HB ILE 537 -9.885 11.176 6.892 1031 HG12 ILE 537 HG12 ILE 537 -8.561 9.369 8.929 1032 HG13 ILE 537 HG13 ILE 537 -7.677 10.472 7.891 1033 HG21 ILE 537 HG21 ILE 537 -11.315 10.495 8.764 1034 HG22 ILE 537 HG22 ILE 537 -10.970 8.803 8.412 1035 HG23 ILE 537 HG23 ILE 537 -11.853 9.783 7.241 1036 HD11 ILE 537 HD11 ILE 537 -7.859 11.637 9.894 1037 HD12 ILE 537 HD12 ILE 537 -9.508 11.087 10.175 1038 HD13 ILE 537 HD13 ILE 537 -9.189 12.300 8.935 1039 H ALA 538 H ALA 538 -6.900 8.395 6.394 1040 HA ALA 538 HA ALA 538 -5.687 10.542 4.913 1041 HB1 ALA 538 HB1 ALA 538 -4.659 9.558 6.960 1042 HB2 ALA 538 HB2 ALA 538 -3.579 9.646 5.570 1043 HB3 ALA 538 HB3 ALA 538 -4.317 8.109 6.018 1044 H ASP 539 H ASP 539 -7.383 8.118 3.870 1045 HA ASP 539 HA ASP 539 -5.746 7.339 1.576 1046 HB2 ASP 539 HB2 ASP 539 -8.474 6.505 2.588 1047 HB3 ASP 539 HB3 ASP 539 -7.905 6.041 0.990 1048 H MET 540 H MET 540 -8.467 9.367 2.459 1049 HA MET 540 HA MET 540 -8.964 10.379 -0.172 1050 HB2 MET 540 HB2 MET 540 -9.644 11.488 2.550 1051 HB3 MET 540 HB3 MET 540 -10.188 12.179 1.025 1052 HG2 MET 540 HG2 MET 540 -10.823 9.410 2.031 1053 HG3 MET 540 HG3 MET 540 -11.915 10.792 2.046 1054 HE1 MET 540 HE1 MET 540 -11.485 12.171 -0.756 1055 HE2 MET 540 HE2 MET 540 -13.043 11.817 -0.013 1056 HE3 MET 540 HE3 MET 540 -12.736 11.344 -1.686 1057 H ASP 541 H ASP 541 -6.608 10.881 2.214 1058 HA ASP 541 HA ASP 541 -5.798 13.519 1.594 1059 HB2 ASP 541 HB2 ASP 541 -4.837 11.283 3.261 1060 HB3 ASP 541 HB3 ASP 541 -3.635 12.452 2.789 1061 H PHE 542 H PHE 542 -4.971 10.344 0.334 1062 HA PHE 542 HA PHE 542 -2.423 11.157 -0.725 1063 HB2 PHE 542 HB2 PHE 542 -3.799 8.698 -0.244 1064 HB3 PHE 542 HB3 PHE 542 -3.209 8.709 -1.900 1065 HD1 PHE 542 HD1 PHE 542 -2.257 8.753 1.632 1066 HD2 PHE 542 HD2 PHE 542 -0.860 8.734 -2.386 1067 HE1 PHE 542 HE1 PHE 542 -0.001 8.179 2.417 1068 HE2 PHE 542 HE2 PHE 542 1.395 8.169 -1.594 1069 HZ PHE 542 HZ PHE 542 1.819 7.873 0.798 1070 H SER 543 H SER 543 -5.653 11.165 -1.969 1071 HA SER 543 HA SER 543 -4.856 11.099 -4.750 1072 HB2 SER 543 HB2 SER 543 -7.271 11.468 -5.200 1073 HB3 SER 543 HB3 SER 543 -6.980 10.102 -4.129 1074 HG SER 543 HG SER 543 -8.484 11.145 -3.029 1075 H ALA 544 H ALA 544 -5.168 13.489 -2.333 1076 HA ALA 544 HA ALA 544 -5.504 15.695 -4.209 1077 HB1 ALA 544 HB1 ALA 544 -5.559 17.111 -2.219 1078 HB2 ALA 544 HB2 ALA 544 -5.163 15.718 -1.212 1079 HB3 ALA 544 HB3 ALA 544 -6.697 15.770 -2.080 1080 H LEU 545 H LEU 545 -2.946 13.945 -2.748 1081 HA LEU 545 HA LEU 545 -1.033 16.106 -2.758 1082 HB2 LEU 545 HB2 LEU 545 -0.739 13.171 -2.168 1083 HB3 LEU 545 HB3 LEU 545 0.531 14.349 -1.997 1084 HG LEU 545 HG LEU 545 -2.030 14.436 -0.425 1085 HD11 LEU 545 HD11 LEU 545 -0.700 12.423 0.086 1086 HD12 LEU 545 HD12 LEU 545 -0.785 13.547 1.434 1087 HD13 LEU 545 HD13 LEU 545 0.677 13.459 0.453 1088 HD21 LEU 545 HD21 LEU 545 -0.998 16.614 -0.561 1089 HD22 LEU 545 HD22 LEU 545 0.573 15.933 -0.137 1090 HD23 LEU 545 HD23 LEU 545 -0.730 15.952 1.050 1091 H LEU 546 H LEU 546 -1.770 13.258 -4.725 1092 HA LEU 546 HA LEU 546 0.612 13.511 -6.348 1093 HB2 LEU 546 HB2 LEU 546 -1.855 11.798 -6.596 1094 HB3 LEU 546 HB3 LEU 546 -0.567 11.768 -7.774 1095 HG LEU 546 HG LEU 546 -0.313 11.030 -4.863 1096 HD11 LEU 546 HD11 LEU 546 -1.582 9.370 -6.057 1097 HD12 LEU 546 HD12 LEU 546 0.043 8.746 -5.776 1098 HD13 LEU 546 HD13 LEU 546 -0.404 9.353 -7.369 1099 HD21 LEU 546 HD21 LEU 546 1.931 10.213 -5.503 1100 HD22 LEU 546 HD22 LEU 546 1.768 11.956 -5.722 1101 HD23 LEU 546 HD23 LEU 546 1.692 10.883 -7.116 1102 H SER 547 H SER 547 -2.634 14.646 -6.401 1103 HA SER 547 HA SER 547 -2.451 15.630 -9.143 1104 HB2 SER 547 HB2 SER 547 -4.784 16.375 -8.808 1105 HB3 SER 547 HB3 SER 547 -4.588 14.670 -8.408 1106 HG SER 547 HG SER 547 -5.784 15.670 -6.795 1107 H GLN 548 H GLN 548 -3.130 17.064 -5.921 1108 HA GLN 548 HA GLN 548 -2.841 19.124 -5.035 1109 HB2 GLN 548 HB2 GLN 548 -0.321 18.804 -6.630 1110 HB3 GLN 548 HB3 GLN 548 -0.613 20.264 -5.703 1111 HG2 GLN 548 HG2 GLN 548 -0.730 19.003 -3.650 1112 HG3 GLN 548 HG3 GLN 548 -0.617 17.496 -4.549 1113 HE21 GLN 548 HE21 GLN 548 1.161 17.281 -2.895 1114 HE22 GLN 548 HE22 GLN 548 2.732 17.822 -3.368 1115 H ILE 549 H ILE 549 -4.454 20.421 -5.640 1116 HA ILE 549 HA ILE 549 -3.971 22.224 -7.895 1117 HB ILE 549 HB ILE 549 -6.663 20.998 -7.268 1118 HG12 ILE 549 HG12 ILE 549 -5.130 20.676 -9.853 1119 HG13 ILE 549 HG13 ILE 549 -4.996 19.520 -8.536 1120 HG21 ILE 549 HG21 ILE 549 -6.915 23.284 -7.966 1121 HG22 ILE 549 HG22 ILE 549 -7.456 22.210 -9.256 1122 HG23 ILE 549 HG23 ILE 549 -5.885 23.003 -9.370 1123 HD11 ILE 549 HD11 ILE 549 -6.553 18.745 -10.218 1124 HD12 ILE 549 HD12 ILE 549 -7.511 20.214 -10.038 1125 HD13 ILE 549 HD13 ILE 549 -7.396 19.067 -8.703 1126 H SER 550 H SER 550 -4.585 24.312 -7.658 1127 HA SER 550 HA SER 550 -5.113 26.294 -6.714 1128 HB2 SER 550 HB2 SER 550 -6.861 24.670 -4.848 1129 HB3 SER 550 HB3 SER 550 -6.862 26.430 -4.951 1130 HG SER 550 HG SER 550 -7.137 25.239 -7.387 1131 H SER 551 H SER 551 -4.719 23.992 -3.990 1132 HA SER 551 HA SER 551 -2.972 25.959 -2.688 1133 HB2 SER 551 HB2 SER 551 -3.353 24.599 -0.616 1134 HB3 SER 551 HB3 SER 551 -4.827 25.294 -1.289 1135 HG SER 551 HG SER 551 -4.767 23.045 -2.441 Start of MODEL 5 1 H2 PRO 1 H2 PRO 1 18.469 1.349 -7.571 2 H3 PRO 1 H1 PRO 1 19.775 1.002 -6.657 3 HA PRO 1 HA PRO 1 17.380 -0.132 -6.575 4 HB2 PRO 1 HB2 PRO 1 19.224 -2.362 -7.323 5 HB3 PRO 1 HB3 PRO 1 17.456 -2.255 -7.474 6 HG2 PRO 1 HG2 PRO 1 18.790 -1.894 -9.613 7 HG3 PRO 1 HG3 PRO 1 17.687 -0.739 -9.270 8 HD2 PRO 1 HD2 PRO 1 20.688 -0.489 -8.227 9 HD3 PRO 1 HD3 PRO 1 20.057 0.636 -9.228 10 H SER 2 H SER 2 17.194 -0.501 -4.479 11 HA SER 2 HA SER 2 19.575 -1.345 -2.962 12 HB2 SER 2 HB2 SER 2 18.612 -0.057 -1.021 13 HB3 SER 2 HB3 SER 2 19.145 0.943 -2.372 14 HG SER 2 HG SER 2 17.083 1.372 -2.892 15 H HIS 3 H HIS 3 16.077 -1.560 -3.308 16 HA HIS 3 HA HIS 3 14.540 -3.133 -2.771 17 HB2 HIS 3 HB2 HIS 3 16.885 -4.856 -1.998 18 HB3 HIS 3 HB3 HIS 3 15.247 -5.421 -2.096 19 HD1 HIS 3 HD1 HIS 3 18.263 -4.896 -4.082 20 HD2 HIS 3 HD2 HIS 3 14.204 -5.408 -4.818 21 HE1 HIS 3 HE1 HIS 3 18.090 -5.489 -6.520 22 HE2 HIS 3 HE2 HIS 3 15.629 -5.819 -6.936 23 H SER 4 H SER 4 16.924 -2.383 -0.343 24 HA SER 4 HA SER 4 14.844 -2.575 1.715 25 HB2 SER 4 HB2 SER 4 16.288 -4.521 1.975 26 HB3 SER 4 HB3 SER 4 17.719 -3.492 2.012 27 HG SER 4 HG SER 4 16.395 -2.487 3.885 28 H GLY 5 H GLY 5 14.824 -1.011 3.241 29 HA2 GLY 5 HA2 GLY 5 16.964 0.965 3.358 30 HA3 GLY 5 HA3 GLY 5 15.394 1.540 2.826 31 H ALA 6 H ALA 6 14.140 2.357 4.341 32 HA ALA 6 HA ALA 6 13.913 1.071 6.939 33 HB1 ALA 6 HB1 ALA 6 14.656 3.988 6.716 34 HB2 ALA 6 HB2 ALA 6 15.682 2.692 7.336 35 HB3 ALA 6 HB3 ALA 6 14.212 3.139 8.199 36 H ALA 7 H ALA 7 11.801 0.980 7.482 37 HA ALA 7 HA ALA 7 9.965 3.056 6.542 38 HB1 ALA 7 HB1 ALA 7 9.956 1.385 4.778 39 HB2 ALA 7 HB2 ALA 7 8.408 1.427 5.617 40 HB3 ALA 7 HB3 ALA 7 9.551 0.135 5.953 41 H ILE 8 H ILE 8 8.007 3.205 7.668 42 HA ILE 8 HA ILE 8 7.819 1.656 10.175 43 HB ILE 8 HB ILE 8 6.697 4.402 9.532 44 HG12 ILE 8 HG12 ILE 8 8.798 3.620 11.560 45 HG13 ILE 8 HG13 ILE 8 9.155 4.281 9.979 46 HG21 ILE 8 HG21 ILE 8 6.469 2.844 12.111 47 HG22 ILE 8 HG22 ILE 8 5.153 3.184 10.986 48 HG23 ILE 8 HG23 ILE 8 5.932 4.506 11.856 49 HD11 ILE 8 HD11 ILE 8 7.587 5.697 12.118 50 HD12 ILE 8 HD12 ILE 8 8.109 6.368 10.572 51 HD13 ILE 8 HD13 ILE 8 9.305 5.934 11.792 52 H PHE 9 H PHE 9 5.961 0.553 10.637 53 HA PHE 9 HA PHE 9 3.667 0.737 8.828 54 HB2 PHE 9 HB2 PHE 9 5.136 -1.031 7.916 55 HB3 PHE 9 HB3 PHE 9 5.086 -1.873 9.454 56 HD1 PHE 9 HD1 PHE 9 3.068 -0.841 6.532 57 HD2 PHE 9 HD2 PHE 9 3.290 -3.331 9.980 58 HE1 PHE 9 HE1 PHE 9 1.078 -2.071 5.768 59 HE2 PHE 9 HE2 PHE 9 1.311 -4.567 9.219 60 HZ PHE 9 HZ PHE 9 0.227 -3.979 7.100 61 H GLU 10 H GLU 10 1.974 1.046 10.052 62 HA GLU 10 HA GLU 10 0.472 1.053 11.746 63 HB2 GLU 10 HB2 GLU 10 1.700 -1.629 12.376 64 HB3 GLU 10 HB3 GLU 10 0.251 -1.008 13.150 65 HG2 GLU 10 HG2 GLU 10 -0.856 -0.907 10.969 66 HG3 GLU 10 HG3 GLU 10 0.590 -1.569 10.213 67 H LYS 11 H LYS 11 2.747 2.509 12.159 68 HA LYS 11 HA LYS 11 3.618 3.906 13.705 69 HB2 LYS 11 HB2 LYS 11 1.838 2.517 15.682 70 HB3 LYS 11 HB3 LYS 11 2.764 3.976 16.000 71 HG2 LYS 11 HG2 LYS 11 1.532 5.102 14.162 72 HG3 LYS 11 HG3 LYS 11 0.539 3.652 13.992 73 HD2 LYS 11 HD2 LYS 11 0.807 5.184 16.574 74 HD3 LYS 11 HD3 LYS 11 -0.446 5.478 15.369 75 HE2 LYS 11 HE2 LYS 11 -0.009 3.009 17.018 76 HE3 LYS 11 HE3 LYS 11 -1.429 4.052 16.975 77 HZ1 LYS 11 HZ1 LYS 11 -1.848 3.323 14.708 78 HZ2 LYS 11 HZ2 LYS 11 -1.805 2.001 15.763 79 HZ3 LYS 11 HZ3 LYS 11 -0.486 2.319 14.753 80 H VAL 12 H VAL 12 4.162 0.607 13.836 81 HA VAL 12 HA VAL 12 6.349 0.872 15.761 82 HB VAL 12 HB VAL 12 5.297 -1.588 14.329 83 HG11 VAL 12 HG11 VAL 12 7.538 -1.387 16.306 84 HG12 VAL 12 HG12 VAL 12 7.621 -1.943 14.636 85 HG13 VAL 12 HG13 VAL 12 6.751 -2.891 15.838 86 HG21 VAL 12 HG21 VAL 12 5.094 -0.821 17.238 87 HG22 VAL 12 HG22 VAL 12 4.582 -2.360 16.545 88 HG23 VAL 12 HG23 VAL 12 3.773 -0.867 16.066 89 H SER 13 H SER 13 8.275 1.508 15.082 90 HA SER 13 HA SER 13 8.766 1.823 12.267 91 HB2 SER 13 HB2 SER 13 9.443 3.643 13.670 92 HB3 SER 13 HB3 SER 13 10.389 2.571 14.700 93 HG SER 13 HG SER 13 11.920 3.318 13.413 94 H GLY 14 H GLY 14 10.205 0.832 10.988 95 HA2 GLY 14 HA2 GLY 14 11.975 -1.209 12.050 96 HA3 GLY 14 HA3 GLY 14 10.634 -1.805 11.094 97 H ILE 15 H ILE 15 12.220 -2.687 9.716 98 HA ILE 15 HA ILE 15 13.298 -0.743 7.780 99 HB ILE 15 HB ILE 15 14.589 -3.223 8.921 100 HG12 ILE 15 HG12 ILE 15 15.740 -0.443 8.593 101 HG13 ILE 15 HG13 ILE 15 14.988 -1.043 10.056 102 HG21 ILE 15 HG21 ILE 15 14.881 -3.501 6.561 103 HG22 ILE 15 HG22 ILE 15 16.421 -3.016 7.274 104 HG23 ILE 15 HG23 ILE 15 15.450 -1.839 6.388 105 HD11 ILE 15 HD11 ILE 15 17.560 -1.996 8.827 106 HD12 ILE 15 HD12 ILE 15 16.774 -2.763 10.207 107 HD13 ILE 15 HD13 ILE 15 17.350 -1.101 10.331 108 H ILE 16 H ILE 16 12.938 -1.212 5.633 109 HA ILE 16 HA ILE 16 11.113 -3.442 5.100 110 HB ILE 16 HB ILE 16 11.083 -0.706 4.353 111 HG12 ILE 16 HG12 ILE 16 9.323 -3.063 4.263 112 HG13 ILE 16 HG13 ILE 16 9.010 -1.446 4.863 113 HG21 ILE 16 HG21 ILE 16 12.381 -1.651 2.290 114 HG22 ILE 16 HG22 ILE 16 11.044 -0.521 2.053 115 HG23 ILE 16 HG23 ILE 16 10.786 -2.256 1.809 116 HD11 ILE 16 HD11 ILE 16 8.806 -2.416 2.023 117 HD12 ILE 16 HD12 ILE 16 8.742 -0.714 2.475 118 HD13 ILE 16 HD13 ILE 16 7.514 -1.826 3.071 119 H ALA 17 H ALA 17 11.557 -5.027 3.642 120 HA ALA 17 HA ALA 17 13.961 -4.803 1.971 121 HB1 ALA 17 HB1 ALA 17 14.661 -7.076 2.548 122 HB2 ALA 17 HB2 ALA 17 13.335 -7.193 3.705 123 HB3 ALA 17 HB3 ALA 17 14.636 -6.033 3.971 124 H ILE 18 H ILE 18 13.796 -5.710 -0.038 125 HA ILE 18 HA ILE 18 11.209 -6.907 -0.752 126 HB ILE 18 HB ILE 18 13.395 -5.755 -2.502 127 HG12 ILE 18 HG12 ILE 18 10.535 -4.875 -2.154 128 HG13 ILE 18 HG13 ILE 18 11.871 -4.180 -1.253 129 HG21 ILE 18 HG21 ILE 18 11.970 -6.176 -4.432 130 HG22 ILE 18 HG22 ILE 18 10.813 -7.021 -3.399 131 HG23 ILE 18 HG23 ILE 18 12.433 -7.679 -3.633 132 HD11 ILE 18 HD11 ILE 18 12.844 -3.668 -3.591 133 HD12 ILE 18 HD12 ILE 18 11.537 -2.666 -2.964 134 HD13 ILE 18 HD13 ILE 18 11.191 -3.926 -4.151 135 H ASN 19 H ASN 19 10.997 -8.960 -1.292 136 HA ASN 19 HA ASN 19 13.316 -10.734 -1.308 137 HB2 ASN 19 HB2 ASN 19 10.359 -11.210 -0.849 138 HB3 ASN 19 HB3 ASN 19 11.522 -12.513 -1.021 139 HD21 ASN 19 HD21 ASN 19 9.963 -12.209 1.227 140 HD22 ASN 19 HD22 ASN 19 10.973 -11.808 2.570 141 H GLU 20 H GLU 20 14.104 -10.877 -3.328 142 HA GLU 20 HA GLU 20 12.292 -11.852 -5.435 143 HB2 GLU 20 HB2 GLU 20 14.802 -10.197 -5.792 144 HB3 GLU 20 HB3 GLU 20 13.891 -10.911 -7.108 145 HG2 GLU 20 HG2 GLU 20 11.935 -9.515 -6.307 146 HG3 GLU 20 HG3 GLU 20 13.080 -8.687 -5.264 147 H ASP 21 H ASP 21 13.642 -13.191 -7.138 148 HA ASP 21 HA ASP 21 14.709 -15.152 -7.589 149 HB2 ASP 21 HB2 ASP 21 16.319 -14.562 -5.123 150 HB3 ASP 21 HB3 ASP 21 16.631 -15.896 -6.214 151 H VAL 22 H VAL 22 12.747 -14.616 -5.155 152 HA VAL 22 HA VAL 22 12.499 -17.373 -4.198 153 HB VAL 22 HB VAL 22 10.838 -16.422 -2.573 154 HG11 VAL 22 HG11 VAL 22 13.587 -15.195 -2.489 155 HG12 VAL 22 HG12 VAL 22 13.135 -16.797 -1.902 156 HG13 VAL 22 HG13 VAL 22 12.492 -15.355 -1.115 157 HG21 VAL 22 HG21 VAL 22 10.130 -14.405 -3.770 158 HG22 VAL 22 HG22 VAL 22 11.753 -13.729 -3.617 159 HG23 VAL 22 HG23 VAL 22 10.767 -13.984 -2.178 160 H SER 23 H SER 23 9.890 -17.705 -3.716 161 HA SER 23 HA SER 23 8.587 -17.842 -6.272 162 HB2 SER 23 HB2 SER 23 6.718 -18.765 -4.968 163 HB3 SER 23 HB3 SER 23 8.231 -19.486 -4.424 164 HG SER 23 HG SER 23 6.642 -18.655 -2.787 165 HA PRO 24 HA PRO 24 7.023 -14.438 -7.524 166 HB2 PRO 24 HB2 PRO 24 4.477 -14.044 -5.992 167 HB3 PRO 24 HB3 PRO 24 4.790 -13.834 -7.719 168 HG2 PRO 24 HG2 PRO 24 3.622 -15.996 -6.858 169 HG3 PRO 24 HG3 PRO 24 4.718 -16.097 -8.064 170 HD2 PRO 24 HD2 PRO 24 5.009 -16.940 -5.367 171 HD3 PRO 24 HD3 PRO 24 5.738 -17.552 -6.695 172 H ALA 25 H ALA 25 7.896 -12.526 -7.193 173 HA ALA 25 HA ALA 25 9.224 -12.045 -4.843 174 HB1 ALA 25 HB1 ALA 25 9.916 -9.912 -5.796 175 HB2 ALA 25 HB2 ALA 25 8.665 -10.061 -7.029 176 HB3 ALA 25 HB3 ALA 25 9.998 -11.212 -6.984 177 H GLU 26 H GLU 26 9.181 -10.617 -3.244 178 HA GLU 26 HA GLU 26 6.508 -9.641 -2.600 179 HB2 GLU 26 HB2 GLU 26 8.149 -10.796 -0.417 180 HB3 GLU 26 HB3 GLU 26 6.430 -10.794 -0.618 181 HG2 GLU 26 HG2 GLU 26 6.496 -12.648 -2.103 182 HG3 GLU 26 HG3 GLU 26 8.246 -12.548 -2.233 183 H LEU 27 H LEU 27 6.524 -8.278 -0.583 184 HA LEU 27 HA LEU 27 8.983 -6.704 -0.248 185 HB2 LEU 27 HB2 LEU 27 7.327 -5.490 -1.584 186 HB3 LEU 27 HB3 LEU 27 6.142 -5.688 -0.351 187 HG LEU 27 HG LEU 27 7.434 -4.183 1.100 188 HD11 LEU 27 HD11 LEU 27 9.656 -4.561 0.172 189 HD12 LEU 27 HD12 LEU 27 9.245 -2.857 0.336 190 HD13 LEU 27 HD13 LEU 27 9.193 -3.626 -1.250 191 HD21 LEU 27 HD21 LEU 27 7.012 -2.079 -0.152 192 HD22 LEU 27 HD22 LEU 27 5.655 -3.198 -0.096 193 HD23 LEU 27 HD23 LEU 27 6.627 -3.070 -1.558 194 H THR 28 H THR 28 9.737 -7.209 1.696 195 HA THR 28 HA THR 28 7.831 -8.057 3.768 196 HB THR 28 HB THR 28 10.736 -8.839 3.412 197 HG1 THR 28 HG1 THR 28 9.500 -9.992 1.978 198 HG21 THR 28 HG21 THR 28 8.724 -9.737 5.492 199 HG22 THR 28 HG22 THR 28 10.187 -8.789 5.795 200 HG23 THR 28 HG23 THR 28 10.313 -10.460 5.240 201 H TRP 29 H TRP 29 7.427 -6.410 5.082 202 HA TRP 29 HA TRP 29 9.534 -4.669 6.047 203 HB2 TRP 29 HB2 TRP 29 7.298 -3.703 5.700 204 HB3 TRP 29 HB3 TRP 29 6.608 -4.858 6.830 205 HD1 TRP 29 HD1 TRP 29 8.589 -1.601 6.720 206 HE1 TRP 29 HE1 TRP 29 8.711 -0.590 9.084 207 HE3 TRP 29 HE3 TRP 29 6.570 -5.484 9.378 208 HZ2 TRP 29 HZ2 TRP 29 8.031 -1.334 11.721 209 HZ3 TRP 29 HZ3 TRP 29 6.344 -5.245 11.814 210 HH2 TRP 29 HH2 TRP 29 7.063 -3.212 12.959 211 H ARG 30 H ARG 30 10.653 -4.937 7.856 212 HA ARG 30 HA ARG 30 9.648 -6.814 9.887 213 HB2 ARG 30 HB2 ARG 30 12.506 -6.429 8.996 214 HB3 ARG 30 HB3 ARG 30 12.031 -7.308 10.436 215 HG2 ARG 30 HG2 ARG 30 10.711 -8.837 8.994 216 HG3 ARG 30 HG3 ARG 30 11.408 -8.024 7.601 217 HD2 ARG 30 HD2 ARG 30 12.669 -9.980 8.028 218 HD3 ARG 30 HD3 ARG 30 13.659 -8.599 8.477 219 HE ARG 30 HE ARG 30 12.196 -9.644 10.694 220 HH11 ARG 30 HH11 ARG 30 15.102 -10.178 8.790 221 HH12 ARG 30 HH12 ARG 30 15.926 -11.001 10.072 222 HH21 ARG 30 HH21 ARG 30 13.296 -10.720 12.354 223 HH22 ARG 30 HH22 ARG 30 14.905 -11.303 12.089 224 H SER 31 H SER 31 10.287 -6.310 12.087 225 HA SER 31 HA SER 31 10.150 -3.537 12.694 226 HB2 SER 31 HB2 SER 31 10.442 -4.283 15.059 227 HB3 SER 31 HB3 SER 31 9.207 -5.197 14.197 228 HG SER 31 HG SER 31 10.516 -6.586 15.391 229 H THR 32 H THR 32 11.867 -2.486 14.249 230 HA THR 32 HA THR 32 14.277 -2.205 12.854 231 HB THR 32 HB THR 32 13.935 -1.571 15.783 232 HG1 THR 32 HG1 THR 32 12.293 -0.531 14.669 233 HG21 THR 32 HG21 THR 32 16.255 -1.491 14.876 234 HG22 THR 32 HG22 THR 32 15.660 0.077 15.429 235 HG23 THR 32 HG23 THR 32 15.712 -0.286 13.705 236 H ASP 33 H ASP 33 13.470 -4.434 15.431 237 HA ASP 33 HA ASP 33 16.157 -5.610 15.311 238 HB2 ASP 33 HB2 ASP 33 13.805 -6.186 17.134 239 HB3 ASP 33 HB3 ASP 33 15.341 -7.042 17.198 240 H GLY 34 H GLY 34 12.835 -6.124 14.399 241 HA2 GLY 34 HA2 GLY 34 12.208 -7.362 12.490 242 HA3 GLY 34 HA3 GLY 34 13.616 -8.386 12.695 243 H ASP 35 H ASP 35 11.799 -7.742 15.547 244 HA ASP 35 HA ASP 35 10.969 -10.453 15.871 245 HB2 ASP 35 HB2 ASP 35 9.858 -9.636 17.915 246 HB3 ASP 35 HB3 ASP 35 11.505 -9.032 17.796 247 H LYS 36 H LYS 36 9.424 -7.529 14.705 248 HA LYS 36 HA LYS 36 6.942 -9.004 14.124 249 HB2 LYS 36 HB2 LYS 36 7.571 -6.039 14.152 250 HB3 LYS 36 HB3 LYS 36 6.059 -6.701 13.568 251 HG2 LYS 36 HG2 LYS 36 5.658 -7.649 15.809 252 HG3 LYS 36 HG3 LYS 36 7.143 -6.865 16.365 253 HD2 LYS 36 HD2 LYS 36 5.834 -4.830 15.082 254 HD3 LYS 36 HD3 LYS 36 4.512 -5.729 15.835 255 HE2 LYS 36 HE2 LYS 36 5.602 -3.858 17.194 256 HE3 LYS 36 HE3 LYS 36 5.343 -5.415 17.982 257 HZ1 LYS 36 HZ1 LYS 36 7.902 -4.465 16.806 258 HZ2 LYS 36 HZ2 LYS 36 7.659 -5.968 17.543 259 HZ3 LYS 36 HZ3 LYS 36 7.542 -4.549 18.457 260 H VAL 37 H VAL 37 6.309 -9.339 11.997 261 HA VAL 37 HA VAL 37 7.868 -8.136 9.854 262 HB VAL 37 HB VAL 37 9.246 -10.032 10.344 263 HG11 VAL 37 HG11 VAL 37 8.487 -12.359 10.253 264 HG12 VAL 37 HG12 VAL 37 6.824 -11.805 10.059 265 HG13 VAL 37 HG13 VAL 37 7.702 -11.457 11.549 266 HG21 VAL 37 HG21 VAL 37 8.680 -9.431 7.929 267 HG22 VAL 37 HG22 VAL 37 7.737 -10.922 7.911 268 HG23 VAL 37 HG23 VAL 37 9.473 -10.978 8.228 269 H HIS 38 H HIS 38 6.713 -7.752 8.064 270 HA HIS 38 HA HIS 38 4.196 -9.212 7.591 271 HB2 HIS 38 HB2 HIS 38 4.671 -6.238 7.240 272 HB3 HIS 38 HB3 HIS 38 3.227 -7.088 6.703 273 HD1 HIS 38 HD1 HIS 38 1.743 -8.164 8.676 274 HD2 HIS 38 HD2 HIS 38 4.607 -5.388 9.842 275 HE1 HIS 38 HE1 HIS 38 1.092 -7.463 11.001 276 HE2 HIS 38 HE2 HIS 38 2.782 -5.708 11.646 277 H THR 39 H THR 39 3.675 -9.575 5.364 278 HA THR 39 HA THR 39 5.891 -9.059 3.492 279 HB THR 39 HB THR 39 4.465 -11.704 3.874 280 HG1 THR 39 HG1 THR 39 6.988 -12.097 4.062 281 HG21 THR 39 HG21 THR 39 5.985 -12.583 2.147 282 HG22 THR 39 HG22 THR 39 6.600 -10.954 1.863 283 HG23 THR 39 HG23 THR 39 4.918 -11.338 1.494 284 H VAL 40 H VAL 40 5.307 -8.140 1.659 285 HA VAL 40 HA VAL 40 2.527 -8.373 0.693 286 HB VAL 40 HB VAL 40 4.639 -6.250 0.265 287 HG11 VAL 40 HG11 VAL 40 3.169 -6.636 -1.798 288 HG12 VAL 40 HG12 VAL 40 3.252 -4.995 -1.150 289 HG13 VAL 40 HG13 VAL 40 1.849 -6.006 -0.805 290 HG21 VAL 40 HG21 VAL 40 3.064 -4.759 1.367 291 HG22 VAL 40 HG22 VAL 40 3.598 -6.084 2.401 292 HG23 VAL 40 HG23 VAL 40 1.996 -6.132 1.659 293 H VAL 41 H VAL 41 2.476 -10.061 -0.773 294 HA VAL 41 HA VAL 41 4.650 -10.530 -2.618 295 HB VAL 41 HB VAL 41 1.885 -11.811 -2.491 296 HG11 VAL 41 HG11 VAL 41 2.761 -12.056 -4.725 297 HG12 VAL 41 HG12 VAL 41 2.892 -13.605 -3.890 298 HG13 VAL 41 HG13 VAL 41 4.321 -12.592 -4.100 299 HG21 VAL 41 HG21 VAL 41 3.082 -13.735 -1.513 300 HG22 VAL 41 HG22 VAL 41 3.203 -12.291 -0.506 301 HG23 VAL 41 HG23 VAL 41 4.570 -12.786 -1.506 302 H LEU 42 H LEU 42 4.828 -9.553 -4.579 303 HA LEU 42 HA LEU 42 3.028 -7.424 -5.169 304 HB2 LEU 42 HB2 LEU 42 5.490 -8.401 -6.567 305 HB3 LEU 42 HB3 LEU 42 4.500 -7.147 -7.257 306 HG LEU 42 HG LEU 42 6.321 -6.061 -6.203 307 HD11 LEU 42 HD11 LEU 42 5.284 -4.568 -4.750 308 HD12 LEU 42 HD12 LEU 42 4.169 -5.788 -4.149 309 HD13 LEU 42 HD13 LEU 42 3.987 -5.157 -5.788 310 HD21 LEU 42 HD21 LEU 42 6.975 -6.364 -3.900 311 HD22 LEU 42 HD22 LEU 42 7.049 -7.904 -4.761 312 HD23 LEU 42 HD23 LEU 42 5.702 -7.562 -3.672 313 H SER 43 H SER 43 3.279 -10.673 -6.396 314 HA SER 43 HA SER 43 2.086 -10.270 -8.949 315 HB2 SER 43 HB2 SER 43 1.799 -12.703 -8.997 316 HB3 SER 43 HB3 SER 43 3.381 -12.281 -8.358 317 HG SER 43 HG SER 43 2.125 -13.937 -7.181 318 H THR 44 H THR 44 0.802 -10.089 -5.834 319 HA THR 44 HA THR 44 -1.942 -10.175 -6.886 320 HB THR 44 HB THR 44 -2.718 -10.512 -4.557 321 HG1 THR 44 HG1 THR 44 0.053 -10.512 -4.048 322 HG21 THR 44 HG21 THR 44 -0.754 -12.621 -5.468 323 HG22 THR 44 HG22 THR 44 -2.441 -12.487 -5.964 324 HG23 THR 44 HG23 THR 44 -2.042 -12.858 -4.286 325 H ILE 45 H ILE 45 0.331 -8.061 -6.593 326 HA ILE 45 HA ILE 45 -1.303 -5.864 -5.484 327 HB ILE 45 HB ILE 45 1.681 -6.073 -5.962 328 HG12 ILE 45 HG12 ILE 45 0.805 -7.151 -3.880 329 HG13 ILE 45 HG13 ILE 45 1.967 -5.876 -3.577 330 HG21 ILE 45 HG21 ILE 45 2.027 -3.831 -5.261 331 HG22 ILE 45 HG22 ILE 45 0.319 -3.624 -4.867 332 HG23 ILE 45 HG23 ILE 45 0.819 -3.802 -6.548 333 HD11 ILE 45 HD11 ILE 45 -1.022 -5.565 -3.299 334 HD12 ILE 45 HD12 ILE 45 0.210 -4.383 -2.851 335 HD13 ILE 45 HD13 ILE 45 0.084 -5.908 -1.976 336 H ASP 46 H ASP 46 -1.744 -4.066 -6.789 337 HA ASP 46 HA ASP 46 -1.268 -4.499 -9.662 338 HB2 ASP 46 HB2 ASP 46 -3.623 -4.736 -8.979 339 HB3 ASP 46 HB3 ASP 46 -3.620 -3.116 -8.350 340 H LYS 47 H LYS 47 -1.668 -1.866 -7.243 341 HA LYS 47 HA LYS 47 0.010 -0.163 -8.906 342 HB2 LYS 47 HB2 LYS 47 -2.541 0.514 -7.407 343 HB3 LYS 47 HB3 LYS 47 -1.465 1.683 -8.134 344 HG2 LYS 47 HG2 LYS 47 -1.860 0.829 -10.278 345 HG3 LYS 47 HG3 LYS 47 -2.869 -0.461 -9.643 346 HD2 LYS 47 HD2 LYS 47 -4.458 1.239 -8.819 347 HD3 LYS 47 HD3 LYS 47 -3.444 2.508 -9.500 348 HE2 LYS 47 HE2 LYS 47 -3.772 1.518 -11.718 349 HE3 LYS 47 HE3 LYS 47 -4.871 0.328 -11.022 350 HZ1 LYS 47 HZ1 LYS 47 -5.275 3.274 -11.021 351 HZ2 LYS 47 HZ2 LYS 47 -6.317 2.148 -10.310 352 HZ3 LYS 47 HZ3 LYS 47 -6.104 2.159 -11.988 353 H LEU 48 H LEU 48 0.817 1.771 -7.568 354 HA LEU 48 HA LEU 48 1.145 1.290 -4.700 355 HB2 LEU 48 HB2 LEU 48 3.579 1.739 -6.474 356 HB3 LEU 48 HB3 LEU 48 3.590 1.513 -4.744 357 HG LEU 48 HG LEU 48 2.862 -0.586 -6.772 358 HD11 LEU 48 HD11 LEU 48 5.026 -1.388 -5.210 359 HD12 LEU 48 HD12 LEU 48 5.396 0.269 -5.695 360 HD13 LEU 48 HD13 LEU 48 5.051 -0.951 -6.919 361 HD21 LEU 48 HD21 LEU 48 1.632 -0.791 -4.677 362 HD22 LEU 48 HD22 LEU 48 3.168 -0.755 -3.796 363 HD23 LEU 48 HD23 LEU 48 2.813 -2.079 -4.907 364 H GLN 49 H GLN 49 1.174 3.255 -3.582 365 HA GLN 49 HA GLN 49 1.498 5.718 -5.176 366 HB2 GLN 49 HB2 GLN 49 -0.800 4.961 -3.381 367 HB3 GLN 49 HB3 GLN 49 -0.389 6.642 -3.627 368 HG2 GLN 49 HG2 GLN 49 -0.534 6.036 -6.156 369 HG3 GLN 49 HG3 GLN 49 -1.482 4.668 -5.580 370 HE21 GLN 49 HE21 GLN 49 -2.928 6.033 -7.123 371 HE22 GLN 49 HE22 GLN 49 -3.974 7.159 -6.337 372 H ALA 50 H ALA 50 3.144 6.879 -4.392 373 HA ALA 50 HA ALA 50 3.720 6.802 -1.498 374 HB1 ALA 50 HB1 ALA 50 6.052 7.110 -2.022 375 HB2 ALA 50 HB2 ALA 50 5.669 7.309 -3.734 376 HB3 ALA 50 HB3 ALA 50 5.418 5.751 -2.952 377 H THR 51 H THR 51 4.609 8.705 -0.492 378 HA THR 51 HA THR 51 3.240 11.116 -1.174 379 HB THR 51 HB THR 51 3.696 10.533 1.172 380 HG1 THR 51 HG1 THR 51 3.381 12.676 1.023 381 HG21 THR 51 HG21 THR 51 6.582 10.998 0.375 382 HG22 THR 51 HG22 THR 51 5.880 9.549 1.102 383 HG23 THR 51 HG23 THR 51 6.028 11.034 2.043 384 HA PRO 52 HA PRO 52 6.393 12.879 -4.005 385 HB2 PRO 52 HB2 PRO 52 4.882 15.362 -3.399 386 HB3 PRO 52 HB3 PRO 52 5.339 14.681 -4.961 387 HG2 PRO 52 HG2 PRO 52 2.874 14.525 -4.107 388 HG3 PRO 52 HG3 PRO 52 3.532 13.282 -4.939 389 HD2 PRO 52 HD2 PRO 52 3.063 13.415 -2.077 390 HD3 PRO 52 HD3 PRO 52 2.927 12.100 -3.037 391 H ALA 53 H ALA 53 7.996 14.609 -3.884 392 HA ALA 53 HA ALA 53 9.088 14.974 -1.262 393 HB1 ALA 53 HB1 ALA 53 10.490 14.638 -3.260 394 HB2 ALA 53 HB2 ALA 53 10.914 16.104 -2.377 395 HB3 ALA 53 HB3 ALA 53 9.973 16.211 -3.866 396 H SER 54 H SER 54 6.777 16.668 -3.013 397 HA SER 54 HA SER 54 7.206 19.204 -1.636 398 HB2 SER 54 HB2 SER 54 5.406 20.050 -2.997 399 HB3 SER 54 HB3 SER 54 6.532 19.177 -4.026 400 HG SER 54 HG SER 54 4.045 18.795 -4.053 401 H SER 55 H SER 55 5.490 16.289 -1.289 402 HA SER 55 HA SER 55 3.238 17.185 0.176 403 HB2 SER 55 HB2 SER 55 3.166 15.099 -0.988 404 HB3 SER 55 HB3 SER 55 4.493 14.460 -0.024 405 HG SER 55 HG SER 55 2.593 15.370 1.609 406 H GLU 56 H GLU 56 2.850 17.374 2.291 407 HA GLU 56 HA GLU 56 4.897 17.779 4.194 408 HB2 GLU 56 HB2 GLU 56 3.011 17.765 5.832 409 HB3 GLU 56 HB3 GLU 56 2.820 18.895 4.506 410 HG2 GLU 56 HG2 GLU 56 1.562 16.164 4.560 411 HG3 GLU 56 HG3 GLU 56 0.770 17.615 5.167 412 H LYS 57 H LYS 57 3.469 14.968 3.041 413 HA LYS 57 HA LYS 57 3.676 13.437 5.491 414 HB2 LYS 57 HB2 LYS 57 2.487 12.924 2.796 415 HB3 LYS 57 HB3 LYS 57 2.596 11.703 4.022 416 HG2 LYS 57 HG2 LYS 57 1.195 13.054 5.481 417 HG3 LYS 57 HG3 LYS 57 1.099 14.284 4.244 418 HD2 LYS 57 HD2 LYS 57 -0.106 12.850 2.798 419 HD3 LYS 57 HD3 LYS 57 0.152 11.464 3.865 420 HE2 LYS 57 HE2 LYS 57 -1.250 13.967 4.714 421 HE3 LYS 57 HE3 LYS 57 -2.105 12.582 4.040 422 HZ1 LYS 57 HZ1 LYS 57 -0.440 12.543 6.502 423 HZ2 LYS 57 HZ2 LYS 57 -1.253 11.212 5.844 424 HZ3 LYS 57 HZ3 LYS 57 -2.131 12.523 6.454 425 H MET 58 H MET 58 4.753 11.456 5.629 426 HA MET 58 HA MET 58 6.548 10.732 3.411 427 HB2 MET 58 HB2 MET 58 7.134 10.559 6.377 428 HB3 MET 58 HB3 MET 58 8.133 9.844 5.137 429 HG2 MET 58 HG2 MET 58 8.632 12.027 4.219 430 HG3 MET 58 HG3 MET 58 7.550 12.791 5.380 431 HE1 MET 58 HE1 MET 58 8.037 13.166 7.861 432 HE2 MET 58 HE2 MET 58 9.415 12.504 8.744 433 HE3 MET 58 HE3 MET 58 8.140 11.433 8.160 434 H MET 59 H MET 59 5.354 9.123 2.540 435 HA MET 59 HA MET 59 4.829 6.717 4.031 436 HB2 MET 59 HB2 MET 59 2.405 6.735 3.378 437 HB3 MET 59 HB3 MET 59 2.827 7.863 4.634 438 HG2 MET 59 HG2 MET 59 1.415 9.041 3.281 439 HG3 MET 59 HG3 MET 59 2.985 9.599 2.756 440 HE1 MET 59 HE1 MET 59 0.107 9.960 1.217 441 HE2 MET 59 HE2 MET 59 0.412 9.502 -0.455 442 HE3 MET 59 HE3 MET 59 1.527 10.591 0.383 443 H LEU 60 H LEU 60 4.223 4.941 2.745 444 HA LEU 60 HA LEU 60 4.260 5.285 -0.167 445 HB2 LEU 60 HB2 LEU 60 6.495 4.658 0.249 446 HB3 LEU 60 HB3 LEU 60 6.038 3.523 1.492 447 HG LEU 60 HG LEU 60 4.950 2.184 -0.440 448 HD11 LEU 60 HD11 LEU 60 5.889 2.500 -2.593 449 HD12 LEU 60 HD12 LEU 60 6.917 3.815 -2.010 450 HD13 LEU 60 HD13 LEU 60 5.163 4.016 -2.059 451 HD21 LEU 60 HD21 LEU 60 6.916 1.366 0.719 452 HD22 LEU 60 HD22 LEU 60 7.947 2.427 -0.249 453 HD23 LEU 60 HD23 LEU 60 7.063 1.099 -1.024 454 H ARG 61 H ARG 61 2.442 4.375 -0.949 455 HA ARG 61 HA ARG 61 1.124 2.344 0.703 456 HB2 ARG 61 HB2 ARG 61 -0.145 4.443 0.241 457 HB3 ARG 61 HB3 ARG 61 -0.163 4.011 -1.457 458 HG2 ARG 61 HG2 ARG 61 -1.473 2.078 -1.040 459 HG3 ARG 61 HG3 ARG 61 -1.303 2.267 0.695 460 HD2 ARG 61 HD2 ARG 61 -3.479 3.021 0.123 461 HD3 ARG 61 HD3 ARG 61 -2.520 4.457 0.466 462 HE ARG 61 HE ARG 61 -2.443 3.868 -2.297 463 HH11 ARG 61 HH11 ARG 61 -4.625 5.173 0.135 464 HH12 ARG 61 HH12 ARG 61 -5.555 6.072 -1.016 465 HH21 ARG 61 HH21 ARG 61 -3.697 5.050 -3.786 466 HH22 ARG 61 HH22 ARG 61 -5.026 6.007 -3.226 467 H LEU 62 H LEU 62 0.403 0.457 -0.079 468 HA LEU 62 HA LEU 62 1.245 -0.331 -2.789 469 HB2 LEU 62 HB2 LEU 62 1.088 -2.195 -0.438 470 HB3 LEU 62 HB3 LEU 62 1.872 -2.454 -1.974 471 HG LEU 62 HG LEU 62 2.871 -0.523 0.117 472 HD11 LEU 62 HD11 LEU 62 4.510 -2.204 0.711 473 HD12 LEU 62 HD12 LEU 62 3.759 -3.341 -0.409 474 HD13 LEU 62 HD13 LEU 62 2.866 -2.773 1.002 475 HD21 LEU 62 HD21 LEU 62 4.388 -1.724 -2.188 476 HD22 LEU 62 HD22 LEU 62 4.915 -0.451 -1.085 477 HD23 LEU 62 HD23 LEU 62 3.621 -0.142 -2.246 478 H ILE 63 H ILE 63 -0.534 -0.457 -3.950 479 HA ILE 63 HA ILE 63 -3.125 -1.032 -2.762 480 HB ILE 63 HB ILE 63 -2.351 -0.272 -5.576 481 HG12 ILE 63 HG12 ILE 63 -3.651 1.494 -3.501 482 HG13 ILE 63 HG13 ILE 63 -1.939 1.521 -3.863 483 HG21 ILE 63 HG21 ILE 63 -4.716 0.317 -5.938 484 HG22 ILE 63 HG22 ILE 63 -5.097 -0.383 -4.358 485 HG23 ILE 63 HG23 ILE 63 -4.471 -1.410 -5.652 486 HD11 ILE 63 HD11 ILE 63 -3.075 3.356 -4.932 487 HD12 ILE 63 HD12 ILE 63 -4.158 2.233 -5.756 488 HD13 ILE 63 HD13 ILE 63 -2.436 2.244 -6.141 489 H GLY 64 H GLY 64 -4.340 -2.828 -3.130 490 HA2 GLY 64 HA2 GLY 64 -2.866 -5.141 -4.117 491 HA3 GLY 64 HA3 GLY 64 -4.275 -5.182 -3.078 492 H LYS 65 H LYS 65 -4.034 -6.883 -5.172 493 HA LYS 65 HA LYS 65 -5.563 -5.887 -7.423 494 HB2 LYS 65 HB2 LYS 65 -3.729 -7.443 -7.827 495 HB3 LYS 65 HB3 LYS 65 -4.502 -8.651 -6.814 496 HG2 LYS 65 HG2 LYS 65 -6.357 -8.790 -8.320 497 HG3 LYS 65 HG3 LYS 65 -5.650 -7.538 -9.343 498 HD2 LYS 65 HD2 LYS 65 -3.768 -8.972 -9.817 499 HD3 LYS 65 HD3 LYS 65 -4.403 -10.213 -8.736 500 HE2 LYS 65 HE2 LYS 65 -6.415 -10.325 -10.147 501 HE3 LYS 65 HE3 LYS 65 -5.697 -9.141 -11.217 502 HZ1 LYS 65 HZ1 LYS 65 -4.598 -11.838 -10.655 503 HZ2 LYS 65 HZ2 LYS 65 -3.900 -10.693 -11.685 504 HZ3 LYS 65 HZ3 LYS 65 -5.398 -11.377 -12.072 505 H VAL 66 H VAL 66 -7.699 -6.233 -7.788 506 HA VAL 66 HA VAL 66 -9.231 -7.253 -5.525 507 HB VAL 66 HB VAL 66 -10.373 -5.763 -7.892 508 HG11 VAL 66 HG11 VAL 66 -12.167 -5.208 -6.323 509 HG12 VAL 66 HG12 VAL 66 -11.353 -6.147 -5.073 510 HG13 VAL 66 HG13 VAL 66 -11.975 -6.951 -6.517 511 HG21 VAL 66 HG21 VAL 66 -10.304 -3.707 -6.531 512 HG22 VAL 66 HG22 VAL 66 -8.696 -4.285 -6.961 513 HG23 VAL 66 HG23 VAL 66 -9.323 -4.555 -5.335 514 H ASP 67 H ASP 67 -10.342 -9.070 -5.592 515 HA ASP 67 HA ASP 67 -11.042 -10.267 -8.187 516 HB2 ASP 67 HB2 ASP 67 -9.785 -11.732 -6.608 517 HB3 ASP 67 HB3 ASP 67 -11.070 -11.525 -5.422 518 H GLU 68 H GLU 68 -12.846 -9.061 -8.703 519 HA GLU 68 HA GLU 68 -14.851 -8.495 -6.685 520 HB2 GLU 68 HB2 GLU 68 -15.897 -7.072 -8.346 521 HB3 GLU 68 HB3 GLU 68 -14.170 -6.751 -8.294 522 HG2 GLU 68 HG2 GLU 68 -13.838 -8.053 -10.327 523 HG3 GLU 68 HG3 GLU 68 -15.555 -8.463 -10.353 524 H SER 69 H SER 69 -14.311 -11.123 -8.610 525 HA SER 69 HA SER 69 -17.003 -11.759 -9.384 526 HB2 SER 69 HB2 SER 69 -16.121 -13.918 -10.034 527 HB3 SER 69 HB3 SER 69 -14.977 -12.672 -10.532 528 HG SER 69 HG SER 69 -13.541 -13.496 -9.235 529 H LYS 70 H LYS 70 -15.478 -11.690 -6.428 530 HA LYS 70 HA LYS 70 -17.058 -13.824 -5.193 531 HB2 LYS 70 HB2 LYS 70 -14.851 -12.030 -4.175 532 HB3 LYS 70 HB3 LYS 70 -15.744 -13.100 -3.119 533 HG2 LYS 70 HG2 LYS 70 -15.012 -15.019 -4.426 534 HG3 LYS 70 HG3 LYS 70 -14.137 -13.954 -5.517 535 HD2 LYS 70 HD2 LYS 70 -12.673 -13.267 -3.676 536 HD3 LYS 70 HD3 LYS 70 -13.583 -14.268 -2.549 537 HE2 LYS 70 HE2 LYS 70 -12.878 -16.273 -3.775 538 HE3 LYS 70 HE3 LYS 70 -11.996 -15.260 -4.917 539 HZ1 LYS 70 HZ1 LYS 70 -10.520 -16.196 -3.257 540 HZ2 LYS 70 HZ2 LYS 70 -11.426 -15.496 -2.010 541 HZ3 LYS 70 HZ3 LYS 70 -10.584 -14.512 -3.099 542 H LYS 71 H LYS 71 -18.421 -11.608 -6.277 543 HA LYS 71 HA LYS 71 -19.089 -9.420 -4.832 544 HB2 LYS 71 HB2 LYS 71 -20.983 -11.179 -6.401 545 HB3 LYS 71 HB3 LYS 71 -21.388 -9.574 -5.830 546 HG2 LYS 71 HG2 LYS 71 -19.607 -8.639 -7.217 547 HG3 LYS 71 HG3 LYS 71 -19.228 -10.251 -7.808 548 HD2 LYS 71 HD2 LYS 71 -21.507 -10.430 -8.721 549 HD3 LYS 71 HD3 LYS 71 -21.848 -8.790 -8.163 550 HE2 LYS 71 HE2 LYS 71 -19.988 -7.972 -9.566 551 HE3 LYS 71 HE3 LYS 71 -19.758 -9.617 -10.156 552 HZ1 LYS 71 HZ1 LYS 71 -21.071 -8.280 -11.693 553 HZ2 LYS 71 HZ2 LYS 71 -22.229 -8.001 -10.491 554 HZ3 LYS 71 HZ3 LYS 71 -21.984 -9.567 -11.080 555 H ARG 72 H ARG 72 -19.847 -8.985 -2.915 556 HA ARG 72 HA ARG 72 -21.166 -11.084 -1.343 557 HB2 ARG 72 HB2 ARG 72 -19.634 -8.591 -0.580 558 HB3 ARG 72 HB3 ARG 72 -20.505 -9.571 0.581 559 HG2 ARG 72 HG2 ARG 72 -19.077 -11.505 -0.046 560 HG3 ARG 72 HG3 ARG 72 -18.145 -10.422 -1.083 561 HD2 ARG 72 HD2 ARG 72 -17.051 -10.704 1.074 562 HD3 ARG 72 HD3 ARG 72 -17.595 -9.040 0.863 563 HE ARG 72 HE ARG 72 -18.851 -11.047 2.614 564 HH11 ARG 72 HH11 ARG 72 -18.414 -7.685 1.689 565 HH12 ARG 72 HH12 ARG 72 -19.266 -7.077 3.070 566 HH21 ARG 72 HH21 ARG 72 -19.961 -10.227 4.411 567 HH22 ARG 72 HH22 ARG 72 -20.139 -8.515 4.609 568 H LYS 73 H LYS 73 -23.027 -10.530 -0.055 569 HA LYS 73 HA LYS 73 -24.412 -8.052 -0.842 570 HB2 LYS 73 HB2 LYS 73 -25.643 -10.800 -0.489 571 HB3 LYS 73 HB3 LYS 73 -26.573 -9.316 -0.643 572 HG2 LYS 73 HG2 LYS 73 -25.595 -8.946 -2.859 573 HG3 LYS 73 HG3 LYS 73 -24.705 -10.460 -2.707 574 HD2 LYS 73 HD2 LYS 73 -26.836 -11.672 -2.521 575 HD3 LYS 73 HD3 LYS 73 -27.702 -10.145 -2.708 576 HE2 LYS 73 HE2 LYS 73 -26.744 -9.852 -4.928 577 HE3 LYS 73 HE3 LYS 73 -25.813 -11.340 -4.730 578 HZ1 LYS 73 HZ1 LYS 73 -27.801 -11.700 -6.061 579 HZ2 LYS 73 HZ2 LYS 73 -28.780 -11.159 -4.792 580 HZ3 LYS 73 HZ3 LYS 73 -27.881 -12.580 -4.618 581 H ASP 74 H ASP 74 -25.669 -7.076 0.747 582 HA ASP 74 HA ASP 74 -24.774 -7.627 3.453 583 HB2 ASP 74 HB2 ASP 74 -25.622 -5.411 4.004 584 HB3 ASP 74 HB3 ASP 74 -24.635 -5.329 2.555 585 H ASN 75 H ASN 75 -26.874 -6.603 5.004 586 HA ASN 75 HA ASN 75 -28.354 -8.907 5.525 587 HB2 ASN 75 HB2 ASN 75 -28.708 -6.046 6.369 588 HB3 ASN 75 HB3 ASN 75 -29.816 -7.301 6.911 589 HD21 ASN 75 HD21 ASN 75 -28.227 -5.764 8.625 590 HD22 ASN 75 HD22 ASN 75 -27.082 -6.804 9.393 591 H GLU 76 H GLU 76 -29.166 -6.219 3.421 592 HA GLU 76 HA GLU 76 -31.964 -7.021 3.263 593 HB2 GLU 76 HB2 GLU 76 -30.483 -4.691 2.038 594 HB3 GLU 76 HB3 GLU 76 -32.198 -4.999 1.806 595 HG2 GLU 76 HG2 GLU 76 -32.568 -4.761 4.214 596 HG3 GLU 76 HG3 GLU 76 -30.848 -4.458 4.444 597 H GLY 77 H GLY 77 -29.043 -7.395 1.451 598 HA2 GLY 77 HA2 GLY 77 -28.895 -9.157 -0.175 599 HA3 GLY 77 HA3 GLY 77 -30.557 -8.833 -0.628 600 H ASN 78 H ASN 78 -28.391 -6.168 -0.161 601 HA ASN 78 HA ASN 78 -28.431 -5.574 -3.023 602 HB2 ASN 78 HB2 ASN 78 -27.509 -3.918 -0.657 603 HB3 ASN 78 HB3 ASN 78 -27.489 -3.369 -2.328 604 HD21 ASN 78 HD21 ASN 78 -29.169 -3.250 0.472 605 HD22 ASN 78 HD22 ASN 78 -30.740 -2.874 -0.137 606 H GLU 79 H GLU 79 -26.544 -5.240 -4.249 607 HA GLU 79 HA GLU 79 -24.430 -7.035 -3.586 608 HB2 GLU 79 HB2 GLU 79 -25.261 -6.669 -5.905 609 HB3 GLU 79 HB3 GLU 79 -24.531 -5.075 -5.852 610 HG2 GLU 79 HG2 GLU 79 -22.333 -6.060 -5.579 611 HG3 GLU 79 HG3 GLU 79 -23.042 -7.667 -5.615 612 H VAL 80 H VAL 80 -22.927 -6.590 -2.174 613 HA VAL 80 HA VAL 80 -21.673 -3.928 -2.212 614 HB VAL 80 HB VAL 80 -21.789 -5.838 0.141 615 HG11 VAL 80 HG11 VAL 80 -19.701 -4.612 0.104 616 HG12 VAL 80 HG12 VAL 80 -20.731 -4.010 1.402 617 HG13 VAL 80 HG13 VAL 80 -20.574 -3.092 -0.094 618 HG21 VAL 80 HG21 VAL 80 -23.934 -4.690 -0.288 619 HG22 VAL 80 HG22 VAL 80 -23.104 -3.141 -0.137 620 HG23 VAL 80 HG23 VAL 80 -23.199 -4.225 1.248 621 H VAL 81 H VAL 81 -19.978 -4.103 -3.488 622 HA VAL 81 HA VAL 81 -18.581 -6.630 -3.634 623 HB VAL 81 HB VAL 81 -18.400 -4.219 -5.430 624 HG11 VAL 81 HG11 VAL 81 -17.174 -5.677 -7.017 625 HG12 VAL 81 HG12 VAL 81 -17.048 -6.892 -5.743 626 HG13 VAL 81 HG13 VAL 81 -16.280 -5.314 -5.539 627 HG21 VAL 81 HG21 VAL 81 -19.698 -6.891 -5.944 628 HG22 VAL 81 HG22 VAL 81 -19.582 -5.557 -7.094 629 HG23 VAL 81 HG23 VAL 81 -20.537 -5.373 -5.623 630 HA PRO 82 HA PRO 82 -15.250 -5.261 -0.942 631 HB2 PRO 82 HB2 PRO 82 -13.757 -7.429 -2.355 632 HB3 PRO 82 HB3 PRO 82 -13.950 -7.146 -0.621 633 HG2 PRO 82 HG2 PRO 82 -15.337 -9.015 -1.691 634 HG3 PRO 82 HG3 PRO 82 -16.118 -7.989 -0.689 635 HD2 PRO 82 HD2 PRO 82 -16.112 -7.869 -3.618 636 HD3 PRO 82 HD3 PRO 82 -17.431 -7.820 -2.655 637 H LYS 83 H LYS 83 -13.772 -3.791 -1.090 638 HA LYS 83 HA LYS 83 -12.788 -2.968 -3.719 639 HB2 LYS 83 HB2 LYS 83 -12.913 -1.533 -1.069 640 HB3 LYS 83 HB3 LYS 83 -12.161 -0.851 -2.479 641 HG2 LYS 83 HG2 LYS 83 -14.273 -0.939 -3.593 642 HG3 LYS 83 HG3 LYS 83 -15.046 -1.642 -2.208 643 HD2 LYS 83 HD2 LYS 83 -14.541 0.390 -0.938 644 HD3 LYS 83 HD3 LYS 83 -13.770 1.097 -2.354 645 HE2 LYS 83 HE2 LYS 83 -15.896 1.096 -3.537 646 HE3 LYS 83 HE3 LYS 83 -16.677 0.283 -2.181 647 HZ1 LYS 83 HZ1 LYS 83 -16.211 2.218 -0.806 648 HZ2 LYS 83 HZ2 LYS 83 -17.126 2.651 -2.162 649 HZ3 LYS 83 HZ3 LYS 83 -15.471 2.997 -2.115 650 HA PRO 84 HA PRO 84 -8.574 -4.166 -3.238 651 HB2 PRO 84 HB2 PRO 84 -7.036 -1.995 -3.741 652 HB3 PRO 84 HB3 PRO 84 -7.867 -2.897 -5.002 653 HG2 PRO 84 HG2 PRO 84 -8.645 -0.370 -3.755 654 HG3 PRO 84 HG3 PRO 84 -8.684 -0.778 -5.336 655 HD2 PRO 84 HD2 PRO 84 -11.022 -1.051 -3.872 656 HD3 PRO 84 HD3 PRO 84 -10.718 -2.156 -5.035 657 H GLN 85 H GLN 85 -6.892 -4.344 -1.881 658 HA GLN 85 HA GLN 85 -6.999 -2.828 0.616 659 HB2 GLN 85 HB2 GLN 85 -5.482 -5.335 -0.115 660 HB3 GLN 85 HB3 GLN 85 -5.385 -4.547 1.451 661 HG2 GLN 85 HG2 GLN 85 -7.764 -4.932 1.806 662 HG3 GLN 85 HG3 GLN 85 -7.880 -5.693 0.226 663 HE21 GLN 85 HE21 GLN 85 -8.778 -7.418 1.673 664 HE22 GLN 85 HE22 GLN 85 -7.662 -8.572 2.311 665 H ARG 86 H ARG 86 -5.505 -1.423 1.245 666 HA ARG 86 HA ARG 86 -3.192 -0.988 -0.548 667 HB2 ARG 86 HB2 ARG 86 -4.773 1.142 0.918 668 HB3 ARG 86 HB3 ARG 86 -3.406 1.417 -0.152 669 HG2 ARG 86 HG2 ARG 86 -4.641 1.049 -2.043 670 HG3 ARG 86 HG3 ARG 86 -5.757 -0.044 -1.236 671 HD2 ARG 86 HD2 ARG 86 -6.815 1.823 -0.105 672 HD3 ARG 86 HD3 ARG 86 -5.663 2.944 -0.828 673 HE ARG 86 HE ARG 86 -6.750 1.815 -2.995 674 HH11 ARG 86 HH11 ARG 86 -8.286 3.192 -0.151 675 HH12 ARG 86 HH12 ARG 86 -9.711 3.671 -1.012 676 HH21 ARG 86 HH21 ARG 86 -8.622 2.448 -4.099 677 HH22 ARG 86 HH22 ARG 86 -9.899 3.251 -3.245 678 H HIS 87 H HIS 87 -1.251 -1.078 0.407 679 HA HIS 87 HA HIS 87 -1.121 -1.145 3.351 680 HB2 HIS 87 HB2 HIS 87 0.972 -2.236 1.469 681 HB3 HIS 87 HB3 HIS 87 0.745 -2.619 3.163 682 HD1 HIS 87 HD1 HIS 87 -1.037 -4.398 3.735 683 HD2 HIS 87 HD2 HIS 87 -0.657 -3.622 -0.331 684 HE1 HIS 87 HE1 HIS 87 -2.241 -6.276 2.574 685 HE2 HIS 87 HE2 HIS 87 -1.920 -5.834 0.116 686 H MET 88 H MET 88 -0.362 0.665 4.259 687 HA MET 88 HA MET 88 1.390 2.443 2.709 688 HB2 MET 88 HB2 MET 88 -0.196 2.990 5.226 689 HB3 MET 88 HB3 MET 88 0.724 4.168 4.327 690 HG2 MET 88 HG2 MET 88 -0.780 3.953 2.424 691 HG3 MET 88 HG3 MET 88 -1.666 2.711 3.276 692 HE1 MET 88 HE1 MET 88 -3.559 4.488 2.313 693 HE2 MET 88 HE2 MET 88 -4.404 5.286 3.639 694 HE3 MET 88 HE3 MET 88 -4.081 3.551 3.721 695 H PHE 89 H PHE 89 3.359 3.092 3.376 696 HA PHE 89 HA PHE 89 4.389 2.142 5.967 697 HB2 PHE 89 HB2 PHE 89 5.842 2.008 3.315 698 HB3 PHE 89 HB3 PHE 89 6.599 1.741 4.867 699 HD1 PHE 89 HD1 PHE 89 4.061 0.399 2.543 700 HD2 PHE 89 HD2 PHE 89 6.569 -0.357 5.883 701 HE1 PHE 89 HE1 PHE 89 3.525 -1.998 2.401 702 HE2 PHE 89 HE2 PHE 89 6.045 -2.749 5.769 703 HZ PHE 89 HZ PHE 89 4.525 -3.574 3.941 704 H SER 90 H SER 90 5.311 3.777 7.114 705 HA SER 90 HA SER 90 5.595 6.387 5.881 706 HB2 SER 90 HB2 SER 90 5.966 5.455 8.713 707 HB3 SER 90 HB3 SER 90 6.169 7.124 8.211 708 HG SER 90 HG SER 90 4.013 7.187 7.649 709 H PHE 91 H PHE 91 7.472 7.608 5.785 710 HA PHE 91 HA PHE 91 9.999 6.085 5.883 711 HB2 PHE 91 HB2 PHE 91 8.758 7.585 3.605 712 HB3 PHE 91 HB3 PHE 91 10.508 7.533 3.734 713 HD1 PHE 91 HD1 PHE 91 7.525 5.310 3.688 714 HD2 PHE 91 HD2 PHE 91 11.666 5.746 2.786 715 HE1 PHE 91 HE1 PHE 91 7.515 3.100 2.599 716 HE2 PHE 91 HE2 PHE 91 11.650 3.533 1.699 717 HZ PHE 91 HZ PHE 91 9.612 2.246 1.543 718 H ASN 92 H ASN 92 11.913 7.656 5.427 719 HA ASN 92 HA ASN 92 11.485 10.215 6.815 720 HB2 ASN 92 HB2 ASN 92 13.910 8.414 7.064 721 HB3 ASN 92 HB3 ASN 92 13.757 10.005 7.789 722 HD21 ASN 92 HD21 ASN 92 13.403 6.739 8.267 723 HD22 ASN 92 HD22 ASN 92 12.452 6.771 9.710 724 H ASN 93 H ASN 93 12.586 8.676 4.002 725 HA ASN 93 HA ASN 93 13.621 11.196 2.934 726 HB2 ASN 93 HB2 ASN 93 15.548 9.718 3.747 727 HB3 ASN 93 HB3 ASN 93 15.121 8.621 2.440 728 HD21 ASN 93 HD21 ASN 93 17.602 9.614 2.469 729 HD22 ASN 93 HD22 ASN 93 17.814 10.801 1.231 730 H ARG 94 H ARG 94 13.266 11.493 0.759 731 HA ARG 94 HA ARG 94 11.273 9.832 -0.481 732 HB2 ARG 94 HB2 ARG 94 12.577 11.953 -2.080 733 HB3 ARG 94 HB3 ARG 94 10.874 11.558 -1.900 734 HG2 ARG 94 HG2 ARG 94 12.460 12.877 0.282 735 HG3 ARG 94 HG3 ARG 94 11.651 13.793 -0.984 736 HD2 ARG 94 HD2 ARG 94 9.512 12.848 -0.316 737 HD3 ARG 94 HD3 ARG 94 10.305 11.868 0.907 738 HE ARG 94 HE ARG 94 10.957 14.525 1.420 739 HH11 ARG 94 HH11 ARG 94 8.069 12.523 1.446 740 HH12 ARG 94 HH12 ARG 94 7.288 13.467 2.671 741 HH21 ARG 94 HH21 ARG 94 9.914 15.744 3.019 742 HH22 ARG 94 HH22 ARG 94 8.334 15.287 3.561 743 H THR 95 H THR 95 14.694 9.952 -0.579 744 HA THR 95 HA THR 95 15.030 8.957 -3.254 745 HB THR 95 HB THR 95 17.406 8.700 -2.668 746 HG1 THR 95 HG1 THR 95 16.645 8.218 -0.304 747 HG21 THR 95 HG21 THR 95 17.930 11.028 -2.083 748 HG22 THR 95 HG22 THR 95 16.260 11.282 -1.577 749 HG23 THR 95 HG23 THR 95 16.628 10.956 -3.270 750 H VAL 96 H VAL 96 14.433 7.519 -0.146 751 HA VAL 96 HA VAL 96 15.246 4.853 -0.946 752 HB VAL 96 HB VAL 96 13.562 5.668 1.453 753 HG11 VAL 96 HG11 VAL 96 13.333 3.283 0.744 754 HG12 VAL 96 HG12 VAL 96 14.002 3.488 2.359 755 HG13 VAL 96 HG13 VAL 96 15.063 3.087 1.009 756 HG21 VAL 96 HG21 VAL 96 15.839 6.639 1.501 757 HG22 VAL 96 HG22 VAL 96 16.508 5.012 1.381 758 HG23 VAL 96 HG23 VAL 96 15.561 5.475 2.798 759 H MET 97 H MET 97 12.051 6.286 -0.076 760 HA MET 97 HA MET 97 10.377 4.257 -0.887 761 HB2 MET 97 HB2 MET 97 8.592 5.863 -1.066 762 HB3 MET 97 HB3 MET 97 9.634 6.338 0.260 763 HG2 MET 97 HG2 MET 97 10.676 8.001 -1.151 764 HG3 MET 97 HG3 MET 97 9.602 7.573 -2.474 765 HE1 MET 97 HE1 MET 97 8.421 9.814 1.386 766 HE2 MET 97 HE2 MET 97 10.054 9.334 0.921 767 HE3 MET 97 HE3 MET 97 8.899 8.118 1.468 768 H ASP 98 H ASP 98 11.778 6.760 -2.968 769 HA ASP 98 HA ASP 98 10.402 5.944 -5.334 770 HB2 ASP 98 HB2 ASP 98 12.825 7.678 -4.809 771 HB3 ASP 98 HB3 ASP 98 12.305 7.306 -6.444 772 H ASN 99 H ASN 99 13.294 4.822 -3.758 773 HA ASN 99 HA ASN 99 14.195 3.292 -6.068 774 HB2 ASN 99 HB2 ASN 99 15.289 4.058 -3.450 775 HB3 ASN 99 HB3 ASN 99 15.667 2.403 -3.889 776 HD21 ASN 99 HD21 ASN 99 16.782 5.443 -3.988 777 HD22 ASN 99 HD22 ASN 99 17.815 5.358 -5.370 778 H ILE 100 H ILE 100 12.531 2.666 -2.965 779 HA ILE 100 HA ILE 100 12.381 -0.171 -3.267 780 HB ILE 100 HB ILE 100 10.442 1.628 -1.765 781 HG12 ILE 100 HG12 ILE 100 12.736 1.900 -0.890 782 HG13 ILE 100 HG13 ILE 100 11.669 1.178 0.283 783 HG21 ILE 100 HG21 ILE 100 9.661 -0.721 -2.259 784 HG22 ILE 100 HG22 ILE 100 9.653 -0.237 -0.565 785 HG23 ILE 100 HG23 ILE 100 10.938 -1.280 -1.180 786 HD11 ILE 100 HD11 ILE 100 12.688 -1.012 -0.194 787 HD12 ILE 100 HD12 ILE 100 13.851 0.176 0.394 788 HD13 ILE 100 HD13 ILE 100 13.795 -0.229 -1.323 789 H LYS 101 H LYS 101 9.982 2.410 -3.874 790 HA LYS 101 HA LYS 101 8.008 1.031 -5.211 791 HB2 LYS 101 HB2 LYS 101 7.821 3.337 -4.445 792 HB3 LYS 101 HB3 LYS 101 8.974 3.847 -5.667 793 HG2 LYS 101 HG2 LYS 101 7.417 3.236 -7.430 794 HG3 LYS 101 HG3 LYS 101 6.278 2.634 -6.224 795 HD2 LYS 101 HD2 LYS 101 6.061 4.892 -5.297 796 HD3 LYS 101 HD3 LYS 101 7.232 5.479 -6.473 797 HE2 LYS 101 HE2 LYS 101 5.699 4.882 -8.293 798 HE3 LYS 101 HE3 LYS 101 4.525 4.322 -7.106 799 HZ1 LYS 101 HZ1 LYS 101 5.526 7.107 -7.351 800 HZ2 LYS 101 HZ2 LYS 101 4.374 6.566 -6.238 801 HZ3 LYS 101 HZ3 LYS 101 4.022 6.556 -7.892 802 H MET 102 H MET 102 10.940 2.476 -6.592 803 HA MET 102 HA MET 102 10.536 1.979 -9.296 804 HB2 MET 102 HB2 MET 102 12.397 3.275 -8.373 805 HB3 MET 102 HB3 MET 102 13.114 1.827 -7.734 806 HG2 MET 102 HG2 MET 102 13.364 1.015 -10.088 807 HG3 MET 102 HG3 MET 102 12.768 2.591 -10.606 808 HE1 MET 102 HE1 MET 102 14.155 4.872 -10.436 809 HE2 MET 102 HE2 MET 102 15.594 5.017 -9.425 810 HE3 MET 102 HE3 MET 102 14.033 4.647 -8.691 811 H THR 103 H THR 103 12.176 -0.207 -6.958 812 HA THR 103 HA THR 103 12.438 -2.408 -8.683 813 HB THR 103 HB THR 103 12.142 -2.398 -5.664 814 HG1 THR 103 HG1 THR 103 14.158 -1.781 -5.703 815 HG21 THR 103 HG21 THR 103 13.244 -4.607 -5.723 816 HG22 THR 103 HG22 THR 103 13.181 -4.585 -7.484 817 HG23 THR 103 HG23 THR 103 11.688 -4.643 -6.550 818 H LEU 104 H LEU 104 9.962 -1.912 -6.135 819 HA LEU 104 HA LEU 104 8.187 -3.917 -6.550 820 HB2 LEU 104 HB2 LEU 104 7.510 -1.001 -6.077 821 HB3 LEU 104 HB3 LEU 104 6.413 -2.322 -5.789 822 HG LEU 104 HG LEU 104 9.002 -1.935 -4.303 823 HD11 LEU 104 HD11 LEU 104 7.148 -1.466 -2.448 824 HD12 LEU 104 HD12 LEU 104 6.277 -0.856 -3.858 825 HD13 LEU 104 HD13 LEU 104 7.846 -0.186 -3.424 826 HD21 LEU 104 HD21 LEU 104 6.677 -3.547 -3.359 827 HD22 LEU 104 HD22 LEU 104 8.376 -3.659 -2.899 828 HD23 LEU 104 HD23 LEU 104 7.851 -4.256 -4.469 829 H GLN 105 H GLN 105 7.904 -0.737 -8.096 830 HA GLN 105 HA GLN 105 5.893 -1.149 -9.922 831 HB2 GLN 105 HB2 GLN 105 7.049 1.009 -9.439 832 HB3 GLN 105 HB3 GLN 105 8.387 0.490 -10.443 833 HG2 GLN 105 HG2 GLN 105 7.024 1.947 -11.737 834 HG3 GLN 105 HG3 GLN 105 6.814 0.317 -12.358 835 HE21 GLN 105 HE21 GLN 105 4.819 0.057 -13.017 836 HE22 GLN 105 HE22 GLN 105 3.391 0.582 -12.198 837 H GLN 106 H GLN 106 9.229 -2.176 -10.242 838 HA GLN 106 HA GLN 106 8.961 -2.932 -13.024 839 HB2 GLN 106 HB2 GLN 106 11.190 -3.131 -10.997 840 HB3 GLN 106 HB3 GLN 106 11.311 -3.872 -12.582 841 HG2 GLN 106 HG2 GLN 106 11.117 -1.760 -13.667 842 HG3 GLN 106 HG3 GLN 106 10.803 -0.933 -12.150 843 HE21 GLN 106 HE21 GLN 106 12.673 0.291 -13.242 844 HE22 GLN 106 HE22 GLN 106 14.264 -0.183 -12.765 845 H ILE 107 H ILE 107 8.526 -4.378 -9.933 846 HA ILE 107 HA ILE 107 8.640 -7.116 -10.816 847 HB ILE 107 HB ILE 107 7.714 -5.848 -8.222 848 HG12 ILE 107 HG12 ILE 107 10.138 -7.569 -8.827 849 HG13 ILE 107 HG13 ILE 107 10.161 -5.827 -8.748 850 HG21 ILE 107 HG21 ILE 107 7.541 -8.070 -7.261 851 HG22 ILE 107 HG22 ILE 107 7.928 -8.801 -8.821 852 HG23 ILE 107 HG23 ILE 107 6.429 -7.895 -8.617 853 HD11 ILE 107 HD11 ILE 107 11.052 -6.984 -6.726 854 HD12 ILE 107 HD12 ILE 107 9.411 -7.551 -6.411 855 HD13 ILE 107 HD13 ILE 107 9.759 -5.823 -6.414 856 H ILE 108 H ILE 108 6.014 -4.778 -10.110 857 HA ILE 108 HA ILE 108 3.895 -6.670 -10.463 858 HB ILE 108 HB ILE 108 3.780 -3.635 -10.523 859 HG12 ILE 108 HG12 ILE 108 2.627 -5.317 -8.358 860 HG13 ILE 108 HG13 ILE 108 4.360 -5.134 -8.395 861 HG21 ILE 108 HG21 ILE 108 1.497 -5.616 -10.324 862 HG22 ILE 108 HG22 ILE 108 1.888 -4.665 -11.760 863 HG23 ILE 108 HG23 ILE 108 1.357 -3.853 -10.283 864 HD11 ILE 108 HD11 ILE 108 4.173 -2.755 -8.177 865 HD12 ILE 108 HD12 ILE 108 3.258 -3.542 -6.892 866 HD13 ILE 108 HD13 ILE 108 2.417 -2.854 -8.282 867 H SER 109 H SER 109 5.497 -4.378 -12.580 868 HA SER 109 HA SER 109 3.802 -4.594 -14.829 869 HB2 SER 109 HB2 SER 109 5.657 -3.635 -16.107 870 HB3 SER 109 HB3 SER 109 5.471 -2.803 -14.563 871 HG SER 109 HG SER 109 7.214 -4.057 -13.772 872 H ARG 110 H ARG 110 6.106 -6.808 -13.540 873 HA ARG 110 HA ARG 110 6.403 -8.431 -15.907 874 HB2 ARG 110 HB2 ARG 110 8.091 -8.469 -14.096 875 HB3 ARG 110 HB3 ARG 110 6.891 -9.131 -12.998 876 HG2 ARG 110 HG2 ARG 110 8.407 -10.839 -13.829 877 HG3 ARG 110 HG3 ARG 110 6.749 -11.151 -14.329 878 HD2 ARG 110 HD2 ARG 110 7.251 -10.145 -16.525 879 HD3 ARG 110 HD3 ARG 110 8.925 -9.923 -16.020 880 HE ARG 110 HE ARG 110 8.452 -12.586 -15.657 881 HH11 ARG 110 HH11 ARG 110 8.204 -10.434 -18.427 882 HH12 ARG 110 HH12 ARG 110 8.547 -11.688 -19.573 883 HH21 ARG 110 HH21 ARG 110 8.896 -14.206 -17.180 884 HH22 ARG 110 HH22 ARG 110 8.936 -13.819 -18.868 885 H TYR 111 H TYR 111 4.504 -8.583 -12.929 886 HA TYR 111 HA TYR 111 2.900 -10.834 -13.776 887 HB2 TYR 111 HB2 TYR 111 2.490 -8.927 -11.467 888 HB3 TYR 111 HB3 TYR 111 1.652 -10.454 -11.710 889 HD1 TYR 111 HD1 TYR 111 4.429 -8.885 -10.169 890 HD2 TYR 111 HD2 TYR 111 3.170 -12.573 -11.888 891 HE1 TYR 111 HE1 TYR 111 6.187 -10.062 -8.921 892 HE2 TYR 111 HE2 TYR 111 4.927 -13.754 -10.648 893 HH TYR 111 HH TYR 111 6.638 -12.331 -8.094 894 H LYS 112 H LYS 112 2.971 -7.716 -14.756 895 HA LYS 112 HA LYS 112 0.105 -7.259 -15.044 896 HB2 LYS 112 HB2 LYS 112 2.599 -5.672 -15.513 897 HB3 LYS 112 HB3 LYS 112 1.108 -5.183 -16.308 898 HG2 LYS 112 HG2 LYS 112 0.732 -5.673 -13.474 899 HG3 LYS 112 HG3 LYS 112 1.962 -4.466 -13.782 900 HD2 LYS 112 HD2 LYS 112 0.354 -3.212 -15.186 901 HD3 LYS 112 HD3 LYS 112 -0.878 -4.412 -14.810 902 HE2 LYS 112 HE2 LYS 112 -1.261 -2.519 -13.406 903 HE3 LYS 112 HE3 LYS 112 -0.620 -3.809 -12.391 904 HZ1 LYS 112 HZ1 LYS 112 0.405 -1.689 -11.869 905 HZ2 LYS 112 HZ2 LYS 112 0.939 -1.517 -13.466 906 HZ3 LYS 112 HZ3 LYS 112 1.557 -2.758 -12.497 907 H ASP 113 H ASP 113 2.935 -8.100 -16.944 908 HA ASP 113 HA ASP 113 1.529 -8.144 -19.470 909 HB2 ASP 113 HB2 ASP 113 4.335 -8.843 -18.614 910 HB3 ASP 113 HB3 ASP 113 3.760 -9.067 -20.254 911 H ALA 114 H ALA 114 2.634 -10.412 -17.016 912 HA ALA 114 HA ALA 114 2.390 -12.621 -16.668 913 HB1 ALA 114 HB1 ALA 114 -0.140 -12.314 -18.278 914 HB2 ALA 114 HB2 ALA 114 0.035 -11.905 -16.572 915 HB3 ALA 114 HB3 ALA 114 0.217 -13.579 -17.101 916 H ASP 115 H ASP 115 4.189 -13.297 -17.763 917 HA ASP 115 HA ASP 115 3.709 -14.541 -20.395 918 HB2 ASP 115 HB2 ASP 115 5.401 -12.756 -20.484 919 HB3 ASP 115 HB3 ASP 115 6.333 -13.584 -19.244 920 H1 GLY 519 H1 GLY 519 -3.416 -10.078 40.598 921 H2 GLY 519 H2 GLY 519 -4.282 -11.291 41.399 922 H3 GLY 519 H3 GLY 519 -3.250 -10.274 42.271 923 HA2 GLY 519 HA2 GLY 519 -5.544 -9.630 42.620 924 HA3 GLY 519 HA3 GLY 519 -4.644 -8.370 41.790 925 H SER 520 H SER 520 -6.814 -11.110 41.270 926 HA SER 520 HA SER 520 -8.352 -11.654 39.715 927 HB2 SER 520 HB2 SER 520 -9.558 -9.770 40.682 928 HB3 SER 520 HB3 SER 520 -8.746 -8.653 39.589 929 HG SER 520 HG SER 520 -9.744 -10.084 37.888 930 HA PRO 521 HA PRO 521 -5.898 -11.371 35.908 931 HB2 PRO 521 HB2 PRO 521 -6.908 -13.604 34.714 932 HB3 PRO 521 HB3 PRO 521 -5.676 -13.655 35.970 933 HG2 PRO 521 HG2 PRO 521 -8.536 -14.136 36.188 934 HG3 PRO 521 HG3 PRO 521 -7.309 -14.896 36.952 935 HD2 PRO 521 HD2 PRO 521 -8.813 -13.128 38.079 936 HD3 PRO 521 HD3 PRO 521 -7.298 -13.473 38.582 937 H GLY 522 H GLY 522 -6.247 -10.399 33.987 938 HA2 GLY 522 HA2 GLY 522 -7.994 -10.495 32.051 939 HA3 GLY 522 HA3 GLY 522 -9.022 -9.753 33.269 940 H TYR 523 H TYR 523 -8.039 -8.771 30.647 941 HA TYR 523 HA TYR 523 -6.495 -6.416 31.489 942 HB2 TYR 523 HB2 TYR 523 -7.033 -7.422 28.683 943 HB3 TYR 523 HB3 TYR 523 -5.994 -6.071 29.116 944 HD1 TYR 523 HD1 TYR 523 -6.270 -9.689 28.861 945 HD2 TYR 523 HD2 TYR 523 -3.828 -6.491 30.253 946 HE1 TYR 523 HE1 TYR 523 -4.362 -11.230 29.037 947 HE2 TYR 523 HE2 TYR 523 -1.913 -8.026 30.430 948 HH TYR 523 HH TYR 523 -1.500 -10.436 30.677 949 HA PRO 524 HA PRO 524 -10.629 -4.385 31.156 950 HB2 PRO 524 HB2 PRO 524 -9.929 -2.096 32.443 951 HB3 PRO 524 HB3 PRO 524 -10.411 -3.568 33.295 952 HG2 PRO 524 HG2 PRO 524 -7.686 -2.590 32.779 953 HG3 PRO 524 HG3 PRO 524 -8.293 -3.202 34.166 954 HD2 PRO 524 HD2 PRO 524 -6.883 -4.736 32.596 955 HD3 PRO 524 HD3 PRO 524 -8.150 -5.368 33.409 956 H ASN 525 H ASN 525 -7.463 -3.261 30.192 957 HA ASN 525 HA ASN 525 -8.608 -1.129 28.547 958 HB2 ASN 525 HB2 ASN 525 -5.727 -1.739 29.260 959 HB3 ASN 525 HB3 ASN 525 -6.222 -0.434 28.191 960 HD21 ASN 525 HD21 ASN 525 -4.813 -0.456 30.803 961 HD22 ASN 525 HD22 ASN 525 -5.719 0.609 31.817 962 H GLY 526 H GLY 526 -8.574 -1.099 26.365 963 HA2 GLY 526 HA2 GLY 526 -7.053 -3.043 24.840 964 HA3 GLY 526 HA3 GLY 526 -8.796 -3.269 24.796 965 H LEU 527 H LEU 527 -6.222 -1.856 23.269 966 HA LEU 527 HA LEU 527 -7.899 0.196 21.989 967 HB2 LEU 527 HB2 LEU 527 -4.909 0.121 22.326 968 HB3 LEU 527 HB3 LEU 527 -5.753 1.324 21.380 969 HG LEU 527 HG LEU 527 -6.010 0.962 24.380 970 HD11 LEU 527 HD11 LEU 527 -4.700 3.006 24.543 971 HD12 LEU 527 HD12 LEU 527 -4.506 3.023 22.791 972 HD13 LEU 527 HD13 LEU 527 -3.802 1.716 23.743 973 HD21 LEU 527 HD21 LEU 527 -7.118 3.097 22.556 974 HD22 LEU 527 HD22 LEU 527 -7.097 3.192 24.318 975 HD23 LEU 527 HD23 LEU 527 -8.035 1.926 23.513 976 H LEU 528 H LEU 528 -7.571 -2.722 21.342 977 HA LEU 528 HA LEU 528 -5.958 -2.980 19.032 978 HB2 LEU 528 HB2 LEU 528 -8.241 -4.690 20.038 979 HB3 LEU 528 HB3 LEU 528 -7.172 -5.151 18.732 980 HG LEU 528 HG LEU 528 -6.253 -4.661 21.573 981 HD11 LEU 528 HD11 LEU 528 -6.844 -7.269 20.178 982 HD12 LEU 528 HD12 LEU 528 -7.721 -6.589 21.548 983 HD13 LEU 528 HD13 LEU 528 -6.048 -7.105 21.742 984 HD21 LEU 528 HD21 LEU 528 -4.509 -4.323 19.926 985 HD22 LEU 528 HD22 LEU 528 -4.873 -5.882 19.188 986 HD23 LEU 528 HD23 LEU 528 -4.218 -5.814 20.823 987 H SER 529 H SER 529 -8.666 -1.214 19.406 988 HA SER 529 HA SER 529 -9.191 -1.018 16.574 989 HB2 SER 529 HB2 SER 529 -10.747 -2.820 17.129 990 HB3 SER 529 HB3 SER 529 -11.398 -1.879 18.467 991 HG SER 529 HG SER 529 -11.679 -1.443 15.695 992 H GLY 530 H GLY 530 -8.547 1.090 16.655 993 HA2 GLY 530 HA2 GLY 530 -10.278 3.141 17.239 994 HA3 GLY 530 HA3 GLY 530 -9.376 2.890 18.726 995 H ASP 531 H ASP 531 -6.916 2.119 17.294 996 HA ASP 531 HA ASP 531 -6.131 4.760 16.244 997 HB2 ASP 531 HB2 ASP 531 -4.608 2.982 18.161 998 HB3 ASP 531 HB3 ASP 531 -3.884 4.355 17.329 999 H GLU 532 H GLU 532 -6.648 1.739 15.319 1000 HA GLU 532 HA GLU 532 -4.362 1.616 13.487 1001 HB2 GLU 532 HB2 GLU 532 -6.069 -0.566 14.652 1002 HB3 GLU 532 HB3 GLU 532 -4.911 -0.820 13.375 1003 HG2 GLU 532 HG2 GLU 532 -3.155 0.037 14.920 1004 HG3 GLU 532 HG3 GLU 532 -4.370 0.063 16.191 1005 H ASP 533 H ASP 533 -7.271 2.733 13.446 1006 HA ASP 533 HA ASP 533 -8.151 1.488 10.925 1007 HB2 ASP 533 HB2 ASP 533 -9.793 2.818 13.097 1008 HB3 ASP 533 HB3 ASP 533 -10.450 2.229 11.575 1009 H PHE 534 H PHE 534 -6.449 4.065 11.744 1010 HA PHE 534 HA PHE 534 -7.985 6.202 10.585 1011 HB2 PHE 534 HB2 PHE 534 -5.169 6.040 11.641 1012 HB3 PHE 534 HB3 PHE 534 -5.757 7.478 10.821 1013 HD1 PHE 534 HD1 PHE 534 -5.293 5.984 13.929 1014 HD2 PHE 534 HD2 PHE 534 -8.075 8.386 11.786 1015 HE1 PHE 534 HE1 PHE 534 -6.222 6.803 16.057 1016 HE2 PHE 534 HE2 PHE 534 -9.004 9.213 13.908 1017 HZ PHE 534 HZ PHE 534 -8.078 8.422 16.048 1018 H SER 535 H SER 535 -6.218 3.729 9.215 1019 HA SER 535 HA SER 535 -5.170 5.174 6.950 1020 HB2 SER 535 HB2 SER 535 -4.464 3.011 6.101 1021 HB3 SER 535 HB3 SER 535 -4.034 3.150 7.804 1022 HG SER 535 HG SER 535 -6.468 1.956 7.030 1023 H SER 536 H SER 536 -8.232 4.231 7.796 1024 HA SER 536 HA SER 536 -9.210 3.705 5.122 1025 HB2 SER 536 HB2 SER 536 -11.409 3.542 6.167 1026 HB3 SER 536 HB3 SER 536 -10.223 2.564 7.015 1027 HG SER 536 HG SER 536 -11.508 4.897 7.831 1028 H ILE 537 H ILE 537 -9.197 6.336 7.471 1029 HA ILE 537 HA ILE 537 -10.548 8.121 5.620 1030 HB ILE 537 HB ILE 537 -10.508 9.778 7.422 1031 HG12 ILE 537 HG12 ILE 537 -9.164 7.746 9.208 1032 HG13 ILE 537 HG13 ILE 537 -8.252 8.951 8.317 1033 HG21 ILE 537 HG21 ILE 537 -12.375 8.205 7.454 1034 HG22 ILE 537 HG22 ILE 537 -11.920 8.672 9.093 1035 HG23 ILE 537 HG23 ILE 537 -11.438 7.097 8.460 1036 HD11 ILE 537 HD11 ILE 537 -10.173 9.348 10.585 1037 HD12 ILE 537 HD12 ILE 537 -9.744 10.676 9.513 1038 HD13 ILE 537 HD13 ILE 537 -8.490 9.863 10.456 1039 H ALA 538 H ALA 538 -7.337 7.302 6.566 1040 HA ALA 538 HA ALA 538 -6.203 9.690 5.406 1041 HB1 ALA 538 HB1 ALA 538 -5.172 8.552 7.365 1042 HB2 ALA 538 HB2 ALA 538 -4.064 8.821 6.020 1043 HB3 ALA 538 HB3 ALA 538 -4.743 7.219 6.295 1044 H ASP 539 H ASP 539 -7.754 7.345 4.044 1045 HA ASP 539 HA ASP 539 -5.978 6.831 1.775 1046 HB2 ASP 539 HB2 ASP 539 -8.372 5.543 2.916 1047 HB3 ASP 539 HB3 ASP 539 -8.382 5.634 1.160 1048 H MET 540 H MET 540 -8.970 8.493 2.643 1049 HA MET 540 HA MET 540 -9.435 9.699 0.097 1050 HB2 MET 540 HB2 MET 540 -10.273 10.496 2.895 1051 HB3 MET 540 HB3 MET 540 -10.789 11.340 1.443 1052 HG2 MET 540 HG2 MET 540 -11.344 8.446 2.071 1053 HG3 MET 540 HG3 MET 540 -12.488 9.773 2.245 1054 HE1 MET 540 HE1 MET 540 -12.038 11.518 -0.426 1055 HE2 MET 540 HE2 MET 540 -13.563 11.063 0.326 1056 HE3 MET 540 HE3 MET 540 -13.307 10.767 -1.392 1057 H ASP 541 H ASP 541 -7.136 10.152 2.523 1058 HA ASP 541 HA ASP 541 -6.572 12.906 2.169 1059 HB2 ASP 541 HB2 ASP 541 -5.385 10.615 3.636 1060 HB3 ASP 541 HB3 ASP 541 -4.410 12.044 3.421 1061 H PHE 542 H PHE 542 -5.288 9.888 0.815 1062 HA PHE 542 HA PHE 542 -2.929 11.185 -0.233 1063 HB2 PHE 542 HB2 PHE 542 -3.911 8.356 -0.523 1064 HB3 PHE 542 HB3 PHE 542 -2.387 8.944 -1.175 1065 HD1 PHE 542 HD1 PHE 542 -1.825 6.864 0.281 1066 HD2 PHE 542 HD2 PHE 542 -2.904 10.616 1.882 1067 HE1 PHE 542 HE1 PHE 542 -0.669 6.277 2.363 1068 HE2 PHE 542 HE2 PHE 542 -1.766 10.055 3.982 1069 HZ PHE 542 HZ PHE 542 -0.763 8.053 4.324 1070 H SER 543 H SER 543 -6.067 10.273 -1.451 1071 HA SER 543 HA SER 543 -5.384 10.089 -4.208 1072 HB2 SER 543 HB2 SER 543 -7.809 10.069 -4.599 1073 HB3 SER 543 HB3 SER 543 -7.357 8.977 -3.293 1074 HG SER 543 HG SER 543 -8.781 11.374 -3.204 1075 H ALA 544 H ALA 544 -6.283 12.760 -2.152 1076 HA ALA 544 HA ALA 544 -6.586 14.589 -4.403 1077 HB1 ALA 544 HB1 ALA 544 -6.732 15.114 -1.434 1078 HB2 ALA 544 HB2 ALA 544 -8.105 14.812 -2.500 1079 HB3 ALA 544 HB3 ALA 544 -7.129 16.266 -2.709 1080 H LEU 545 H LEU 545 -4.108 13.417 -2.411 1081 HA LEU 545 HA LEU 545 -2.437 15.786 -2.519 1082 HB2 LEU 545 HB2 LEU 545 -2.193 13.077 -1.274 1083 HB3 LEU 545 HB3 LEU 545 -0.786 14.101 -1.424 1084 HG LEU 545 HG LEU 545 -3.297 14.861 0.061 1085 HD11 LEU 545 HD11 LEU 545 -2.249 13.026 1.227 1086 HD12 LEU 545 HD12 LEU 545 -1.971 14.524 2.110 1087 HD13 LEU 545 HD13 LEU 545 -0.680 13.825 1.133 1088 HD21 LEU 545 HD21 LEU 545 -2.146 16.801 -0.694 1089 HD22 LEU 545 HD22 LEU 545 -0.596 16.144 -0.173 1090 HD23 LEU 545 HD23 LEU 545 -1.804 16.602 1.023 1091 H LEU 546 H LEU 546 -2.848 12.837 -4.318 1092 HA LEU 546 HA LEU 546 -0.271 13.149 -5.685 1093 HB2 LEU 546 HB2 LEU 546 -2.354 10.975 -5.705 1094 HB3 LEU 546 HB3 LEU 546 -1.031 11.000 -6.850 1095 HG LEU 546 HG LEU 546 -0.941 10.611 -3.888 1096 HD11 LEU 546 HD11 LEU 546 0.329 8.632 -4.451 1097 HD12 LEU 546 HD12 LEU 546 0.299 9.072 -6.162 1098 HD13 LEU 546 HD13 LEU 546 -1.198 8.640 -5.335 1099 HD21 LEU 546 HD21 LEU 546 0.743 12.280 -4.332 1100 HD22 LEU 546 HD22 LEU 546 1.368 11.337 -5.681 1101 HD23 LEU 546 HD23 LEU 546 1.529 10.729 -4.032 1102 H SER 547 H SER 547 -3.670 13.509 -6.158 1103 HA SER 547 HA SER 547 -3.416 14.146 -8.992 1104 HB2 SER 547 HB2 SER 547 -5.864 14.486 -8.912 1105 HB3 SER 547 HB3 SER 547 -5.404 12.916 -8.254 1106 HG SER 547 HG SER 547 -6.920 13.958 -6.915 1107 H GLN 548 H GLN 548 -4.161 15.793 -5.939 1108 HA GLN 548 HA GLN 548 -4.318 17.959 -5.300 1109 HB2 GLN 548 HB2 GLN 548 -1.954 18.125 -7.172 1110 HB3 GLN 548 HB3 GLN 548 -2.432 19.420 -6.089 1111 HG2 GLN 548 HG2 GLN 548 -1.995 18.043 -4.156 1112 HG3 GLN 548 HG3 GLN 548 -1.704 16.645 -5.185 1113 HE21 GLN 548 HE21 GLN 548 0.242 17.088 -3.465 1114 HE22 GLN 548 HE22 GLN 548 1.614 17.835 -4.202 1115 H ILE 549 H ILE 549 -6.263 18.709 -5.947 1116 HA ILE 549 HA ILE 549 -6.359 20.154 -8.509 1117 HB ILE 549 HB ILE 549 -8.653 18.819 -7.060 1118 HG12 ILE 549 HG12 ILE 549 -7.520 18.257 -9.822 1119 HG13 ILE 549 HG13 ILE 549 -7.172 17.293 -8.395 1120 HG21 ILE 549 HG21 ILE 549 -8.681 20.541 -9.536 1121 HG22 ILE 549 HG22 ILE 549 -9.407 20.921 -7.975 1122 HG23 ILE 549 HG23 ILE 549 -10.050 19.598 -8.948 1123 HD11 ILE 549 HD11 ILE 549 -9.530 16.676 -8.234 1124 HD12 ILE 549 HD12 ILE 549 -8.848 16.232 -9.800 1125 HD13 ILE 549 HD13 ILE 549 -9.882 17.653 -9.660 1126 H SER 550 H SER 550 -6.467 22.264 -8.394 1127 HA SER 550 HA SER 550 -7.639 23.526 -6.000 1128 HB2 SER 550 HB2 SER 550 -5.260 23.945 -6.001 1129 HB3 SER 550 HB3 SER 550 -5.297 24.435 -7.694 1130 HG SER 550 HG SER 550 -6.604 25.779 -5.558 1131 H SER 551 H SER 551 -9.196 25.006 -6.286 1132 HA SER 551 HA SER 551 -10.860 26.212 -7.226 1133 HB2 SER 551 HB2 SER 551 -8.810 26.803 -9.382 1134 HB3 SER 551 HB3 SER 551 -10.315 27.686 -9.136 1135 HG SER 551 HG SER 551 -8.857 28.853 -8.035 Start of MODEL 6 1 H2 PRO 1 H2 PRO 1 19.752 2.831 -6.961 2 H3 PRO 1 H1 PRO 1 20.766 2.038 -5.959 3 HA PRO 1 HA PRO 1 18.364 1.270 -6.896 4 HB2 PRO 1 HB2 PRO 1 20.298 -0.888 -7.634 5 HB3 PRO 1 HB3 PRO 1 18.669 -0.563 -8.271 6 HG2 PRO 1 HG2 PRO 1 20.643 0.199 -9.702 7 HG3 PRO 1 HG3 PRO 1 19.474 1.307 -9.435 8 HD2 PRO 1 HD2 PRO 1 22.016 1.094 -7.683 9 HD3 PRO 1 HD3 PRO 1 21.580 2.472 -8.444 10 H SER 2 H SER 2 17.565 0.629 -5.018 11 HA SER 2 HA SER 2 19.076 -1.239 -3.352 12 HB2 SER 2 HB2 SER 2 19.514 0.915 -2.327 13 HB3 SER 2 HB3 SER 2 17.798 1.322 -2.355 14 HG SER 2 HG SER 2 18.260 -1.038 -1.093 15 H HIS 3 H HIS 3 17.890 -2.881 -2.678 16 HA HIS 3 HA HIS 3 15.033 -2.968 -3.200 17 HB2 HIS 3 HB2 HIS 3 16.997 -5.017 -2.202 18 HB3 HIS 3 HB3 HIS 3 15.302 -5.351 -2.389 19 HD1 HIS 3 HD1 HIS 3 17.325 -7.000 -3.966 20 HD2 HIS 3 HD2 HIS 3 15.541 -3.532 -5.408 21 HE1 HIS 3 HE1 HIS 3 17.473 -7.161 -6.471 22 HE2 HIS 3 HE2 HIS 3 16.359 -5.069 -7.325 23 H SER 4 H SER 4 16.839 -1.820 -0.701 24 HA SER 4 HA SER 4 14.794 -2.319 1.310 25 HB2 SER 4 HB2 SER 4 16.385 -3.135 2.986 26 HB3 SER 4 HB3 SER 4 16.369 -4.201 1.585 27 HG SER 4 HG SER 4 18.496 -3.797 2.166 28 H GLY 5 H GLY 5 14.957 -0.977 3.178 29 HA2 GLY 5 HA2 GLY 5 16.948 1.086 3.354 30 HA3 GLY 5 HA3 GLY 5 15.393 1.682 2.798 31 H ALA 6 H ALA 6 14.208 2.527 4.352 32 HA ALA 6 HA ALA 6 13.893 1.084 6.875 33 HB1 ALA 6 HB1 ALA 6 14.139 3.116 8.210 34 HB2 ALA 6 HB2 ALA 6 14.592 4.019 6.760 35 HB3 ALA 6 HB3 ALA 6 15.628 2.718 7.353 36 H ALA 7 H ALA 7 11.778 0.966 7.422 37 HA ALA 7 HA ALA 7 9.917 3.040 6.518 38 HB1 ALA 7 HB1 ALA 7 9.874 1.408 4.734 39 HB2 ALA 7 HB2 ALA 7 8.348 1.380 5.620 40 HB3 ALA 7 HB3 ALA 7 9.549 0.122 5.893 41 H ILE 8 H ILE 8 7.925 3.115 7.645 42 HA ILE 8 HA ILE 8 7.815 1.573 10.165 43 HB ILE 8 HB ILE 8 6.603 4.291 9.562 44 HG12 ILE 8 HG12 ILE 8 8.804 3.611 11.516 45 HG13 ILE 8 HG13 ILE 8 9.095 4.229 9.906 46 HG21 ILE 8 HG21 ILE 8 5.175 3.015 11.087 47 HG22 ILE 8 HG22 ILE 8 5.939 4.370 11.918 48 HG23 ILE 8 HG23 ILE 8 6.553 2.732 12.151 49 HD11 ILE 8 HD11 ILE 8 9.258 5.937 11.673 50 HD12 ILE 8 HD12 ILE 8 7.552 5.677 12.042 51 HD13 ILE 8 HD13 ILE 8 8.028 6.309 10.466 52 H PHE 9 H PHE 9 5.981 0.459 10.668 53 HA PHE 9 HA PHE 9 3.606 0.651 8.983 54 HB2 PHE 9 HB2 PHE 9 5.163 -1.084 7.985 55 HB3 PHE 9 HB3 PHE 9 4.968 -2.017 9.458 56 HD1 PHE 9 HD1 PHE 9 3.239 -0.729 6.461 57 HD2 PHE 9 HD2 PHE 9 3.025 -3.351 9.811 58 HE1 PHE 9 HE1 PHE 9 1.239 -1.789 5.502 59 HE2 PHE 9 HE2 PHE 9 1.032 -4.419 8.852 60 HZ PHE 9 HZ PHE 9 0.159 -3.676 6.682 61 H GLU 10 H GLU 10 1.889 0.692 10.258 62 HA GLU 10 HA GLU 10 0.500 0.556 12.042 63 HB2 GLU 10 HB2 GLU 10 2.069 -1.947 12.665 64 HB3 GLU 10 HB3 GLU 10 0.578 -1.484 13.467 65 HG2 GLU 10 HG2 GLU 10 -0.646 -1.666 11.418 66 HG3 GLU 10 HG3 GLU 10 0.834 -1.959 10.508 67 H LYS 11 H LYS 11 2.708 2.223 12.277 68 HA LYS 11 HA LYS 11 3.608 3.705 13.734 69 HB2 LYS 11 HB2 LYS 11 1.916 2.292 15.795 70 HB3 LYS 11 HB3 LYS 11 2.848 3.747 16.112 71 HG2 LYS 11 HG2 LYS 11 1.542 4.982 14.497 72 HG3 LYS 11 HG3 LYS 11 0.667 3.528 14.040 73 HD2 LYS 11 HD2 LYS 11 0.639 4.674 16.823 74 HD3 LYS 11 HD3 LYS 11 -0.550 5.104 15.594 75 HE2 LYS 11 HE2 LYS 11 -0.016 2.302 16.583 76 HE3 LYS 11 HE3 LYS 11 -1.326 3.340 17.137 77 HZ1 LYS 11 HZ1 LYS 11 -0.935 2.381 14.353 78 HZ2 LYS 11 HZ2 LYS 11 -2.193 3.383 14.878 79 HZ3 LYS 11 HZ3 LYS 11 -2.085 1.794 15.447 80 H VAL 12 H VAL 12 4.275 0.442 13.933 81 HA VAL 12 HA VAL 12 6.512 0.801 15.780 82 HB VAL 12 HB VAL 12 5.519 -1.701 14.373 83 HG11 VAL 12 HG11 VAL 12 7.846 -1.372 16.225 84 HG12 VAL 12 HG12 VAL 12 7.844 -1.998 14.578 85 HG13 VAL 12 HG13 VAL 12 7.085 -2.922 15.875 86 HG21 VAL 12 HG21 VAL 12 4.031 -1.069 16.170 87 HG22 VAL 12 HG22 VAL 12 5.392 -0.938 17.286 88 HG23 VAL 12 HG23 VAL 12 4.944 -2.511 16.625 89 H SER 13 H SER 13 8.413 1.473 15.060 90 HA SER 13 HA SER 13 8.838 1.798 12.232 91 HB2 SER 13 HB2 SER 13 9.510 3.617 13.689 92 HB3 SER 13 HB3 SER 13 10.572 2.534 14.595 93 HG SER 13 HG SER 13 10.998 3.819 12.214 94 H GLY 14 H GLY 14 10.238 0.807 10.926 95 HA2 GLY 14 HA2 GLY 14 12.044 -1.217 11.969 96 HA3 GLY 14 HA3 GLY 14 10.696 -1.811 11.020 97 H ILE 15 H ILE 15 12.210 -2.685 9.599 98 HA ILE 15 HA ILE 15 13.343 -0.746 7.696 99 HB ILE 15 HB ILE 15 14.577 -3.273 8.797 100 HG12 ILE 15 HG12 ILE 15 15.829 -0.527 8.576 101 HG13 ILE 15 HG13 ILE 15 14.956 -1.090 9.985 102 HG21 ILE 15 HG21 ILE 15 14.922 -3.480 6.444 103 HG22 ILE 15 HG22 ILE 15 16.450 -3.032 7.204 104 HG23 ILE 15 HG23 ILE 15 15.510 -1.819 6.332 105 HD11 ILE 15 HD11 ILE 15 17.277 -1.270 10.428 106 HD12 ILE 15 HD12 ILE 15 17.560 -2.142 8.925 107 HD13 ILE 15 HD13 ILE 15 16.646 -2.907 10.227 108 H ILE 16 H ILE 16 12.931 -1.152 5.556 109 HA ILE 16 HA ILE 16 11.166 -3.417 4.980 110 HB ILE 16 HB ILE 16 11.132 -0.650 4.200 111 HG12 ILE 16 HG12 ILE 16 9.342 -2.930 4.491 112 HG13 ILE 16 HG13 ILE 16 9.063 -1.234 4.841 113 HG21 ILE 16 HG21 ILE 16 10.633 -2.353 1.783 114 HG22 ILE 16 HG22 ILE 16 12.233 -1.664 2.089 115 HG23 ILE 16 HG23 ILE 16 10.838 -0.597 1.898 116 HD11 ILE 16 HD11 ILE 16 7.461 -1.938 3.227 117 HD12 ILE 16 HD12 ILE 16 8.715 -2.625 2.194 118 HD13 ILE 16 HD13 ILE 16 8.611 -0.878 2.413 119 H ALA 17 H ALA 17 11.693 -4.994 3.595 120 HA ALA 17 HA ALA 17 14.048 -4.701 1.865 121 HB1 ALA 17 HB1 ALA 17 14.804 -5.856 3.894 122 HB2 ALA 17 HB2 ALA 17 14.874 -6.914 2.485 123 HB3 ALA 17 HB3 ALA 17 13.564 -7.087 3.654 124 H ILE 18 H ILE 18 13.881 -5.684 -0.118 125 HA ILE 18 HA ILE 18 11.278 -6.877 -0.724 126 HB ILE 18 HB ILE 18 13.370 -5.769 -2.606 127 HG12 ILE 18 HG12 ILE 18 10.587 -4.805 -2.022 128 HG13 ILE 18 HG13 ILE 18 12.010 -4.221 -1.188 129 HG21 ILE 18 HG21 ILE 18 12.214 -7.593 -3.715 130 HG22 ILE 18 HG22 ILE 18 11.719 -6.040 -4.391 131 HG23 ILE 18 HG23 ILE 18 10.656 -6.893 -3.269 132 HD11 ILE 18 HD11 ILE 18 12.914 -3.535 -3.430 133 HD12 ILE 18 HD12 ILE 18 11.486 -2.648 -2.881 134 HD13 ILE 18 HD13 ILE 18 11.317 -3.926 -4.086 135 H ASN 19 H ASN 19 10.984 -8.817 -1.138 136 HA ASN 19 HA ASN 19 13.127 -10.775 -1.310 137 HB2 ASN 19 HB2 ASN 19 10.798 -10.744 0.084 138 HB3 ASN 19 HB3 ASN 19 10.297 -11.661 -1.328 139 HD21 ASN 19 HD21 ASN 19 10.090 -13.105 0.721 140 HD22 ASN 19 HD22 ASN 19 11.417 -14.177 0.993 141 H GLU 20 H GLU 20 13.924 -10.953 -3.307 142 HA GLU 20 HA GLU 20 12.092 -11.816 -5.440 143 HB2 GLU 20 HB2 GLU 20 14.644 -10.234 -5.822 144 HB3 GLU 20 HB3 GLU 20 13.636 -10.851 -7.113 145 HG2 GLU 20 HG2 GLU 20 11.800 -9.385 -6.199 146 HG3 GLU 20 HG3 GLU 20 13.007 -8.670 -5.150 147 H ASP 21 H ASP 21 13.381 -13.145 -7.160 148 HA ASP 21 HA ASP 21 14.524 -15.045 -7.714 149 HB2 ASP 21 HB2 ASP 21 16.161 -14.480 -5.229 150 HB3 ASP 21 HB3 ASP 21 16.501 -15.779 -6.358 151 H VAL 22 H VAL 22 12.564 -14.630 -5.220 152 HA VAL 22 HA VAL 22 12.476 -17.418 -4.313 153 HB VAL 22 HB VAL 22 10.982 -16.585 -2.510 154 HG11 VAL 22 HG11 VAL 22 13.600 -15.094 -2.670 155 HG12 VAL 22 HG12 VAL 22 13.408 -16.779 -2.182 156 HG13 VAL 22 HG13 VAL 22 12.708 -15.496 -1.200 157 HG21 VAL 22 HG21 VAL 22 11.599 -13.809 -3.562 158 HG22 VAL 22 HG22 VAL 22 10.740 -14.183 -2.069 159 HG23 VAL 22 HG23 VAL 22 10.023 -14.603 -3.623 160 H SER 23 H SER 23 9.897 -17.804 -3.645 161 HA SER 23 HA SER 23 8.471 -17.983 -6.130 162 HB2 SER 23 HB2 SER 23 6.707 -18.968 -4.750 163 HB3 SER 23 HB3 SER 23 8.261 -19.612 -4.231 164 HG SER 23 HG SER 23 7.393 -17.322 -2.933 165 HA PRO 24 HA PRO 24 6.902 -14.672 -7.399 166 HB2 PRO 24 HB2 PRO 24 4.367 -14.228 -5.864 167 HB3 PRO 24 HB3 PRO 24 4.664 -14.072 -7.598 168 HG2 PRO 24 HG2 PRO 24 3.508 -16.210 -6.674 169 HG3 PRO 24 HG3 PRO 24 4.618 -16.355 -7.864 170 HD2 PRO 24 HD2 PRO 24 4.894 -17.071 -5.121 171 HD3 PRO 24 HD3 PRO 24 5.609 -17.764 -6.416 172 H ALA 25 H ALA 25 7.795 -12.773 -7.140 173 HA ALA 25 HA ALA 25 9.145 -12.183 -4.848 174 HB1 ALA 25 HB1 ALA 25 9.726 -10.027 -5.881 175 HB2 ALA 25 HB2 ALA 25 8.500 -10.319 -7.115 176 HB3 ALA 25 HB3 ALA 25 9.896 -11.389 -6.987 177 H GLU 26 H GLU 26 9.040 -10.927 -3.204 178 HA GLU 26 HA GLU 26 6.427 -9.790 -2.604 179 HB2 GLU 26 HB2 GLU 26 8.067 -11.016 -0.439 180 HB3 GLU 26 HB3 GLU 26 6.349 -10.852 -0.553 181 HG2 GLU 26 HG2 GLU 26 6.159 -12.706 -2.026 182 HG3 GLU 26 HG3 GLU 26 7.906 -12.790 -2.223 183 H LEU 27 H LEU 27 6.501 -8.375 -0.612 184 HA LEU 27 HA LEU 27 9.008 -6.857 -0.367 185 HB2 LEU 27 HB2 LEU 27 7.528 -5.524 -1.663 186 HB3 LEU 27 HB3 LEU 27 6.187 -5.854 -0.639 187 HG LEU 27 HG LEU 27 7.344 -4.446 1.111 188 HD11 LEU 27 HD11 LEU 27 9.585 -4.479 0.162 189 HD12 LEU 27 HD12 LEU 27 8.989 -2.853 0.478 190 HD13 LEU 27 HD13 LEU 27 9.012 -3.478 -1.172 191 HD21 LEU 27 HD21 LEU 27 5.454 -3.561 -0.036 192 HD22 LEU 27 HD22 LEU 27 6.447 -3.125 -1.421 193 HD23 LEU 27 HD23 LEU 27 6.666 -2.293 0.121 194 H THR 28 H THR 28 9.795 -7.190 1.602 195 HA THR 28 HA THR 28 7.928 -8.045 3.705 196 HB THR 28 HB THR 28 10.857 -8.736 3.361 197 HG1 THR 28 HG1 THR 28 10.101 -10.726 2.759 198 HG21 THR 28 HG21 THR 28 10.466 -10.334 5.231 199 HG22 THR 28 HG22 THR 28 8.879 -9.603 5.486 200 HG23 THR 28 HG23 THR 28 10.350 -8.647 5.739 201 H TRP 29 H TRP 29 7.470 -6.388 5.001 202 HA TRP 29 HA TRP 29 9.542 -4.592 5.936 203 HB2 TRP 29 HB2 TRP 29 7.290 -3.660 5.643 204 HB3 TRP 29 HB3 TRP 29 6.638 -4.838 6.767 205 HD1 TRP 29 HD1 TRP 29 8.576 -1.559 6.674 206 HE1 TRP 29 HE1 TRP 29 8.737 -0.587 9.053 207 HE3 TRP 29 HE3 TRP 29 6.635 -5.499 9.302 208 HZ2 TRP 29 HZ2 TRP 29 8.116 -1.380 11.686 209 HZ3 TRP 29 HZ3 TRP 29 6.455 -5.303 11.748 210 HH2 TRP 29 HH2 TRP 29 7.189 -3.288 12.911 211 H ARG 30 H ARG 30 10.511 -4.645 7.861 212 HA ARG 30 HA ARG 30 9.864 -6.765 9.771 213 HB2 ARG 30 HB2 ARG 30 12.536 -5.935 8.709 214 HB3 ARG 30 HB3 ARG 30 12.331 -7.063 10.036 215 HG2 ARG 30 HG2 ARG 30 11.142 -8.547 8.481 216 HG3 ARG 30 HG3 ARG 30 11.485 -7.419 7.173 217 HD2 ARG 30 HD2 ARG 30 13.575 -8.783 8.871 218 HD3 ARG 30 HD3 ARG 30 13.076 -9.305 7.262 219 HE ARG 30 HE ARG 30 13.830 -6.661 7.009 220 HH11 ARG 30 HH11 ARG 30 15.417 -9.650 7.954 221 HH12 ARG 30 HH12 ARG 30 16.974 -9.133 7.396 222 HH21 ARG 30 HH21 ARG 30 15.873 -6.009 6.286 223 HH22 ARG 30 HH22 ARG 30 17.229 -7.072 6.450 224 H SER 31 H SER 31 10.656 -6.281 11.945 225 HA SER 31 HA SER 31 10.380 -3.487 12.598 226 HB2 SER 31 HB2 SER 31 10.430 -4.212 14.925 227 HB3 SER 31 HB3 SER 31 9.411 -5.307 13.996 228 HG SER 31 HG SER 31 10.858 -6.369 15.456 229 H THR 32 H THR 32 12.058 -2.416 14.134 230 HA THR 32 HA THR 32 14.467 -2.141 12.758 231 HB THR 32 HB THR 32 13.940 -1.436 15.644 232 HG1 THR 32 HG1 THR 32 14.079 0.509 13.663 233 HG21 THR 32 HG21 THR 32 15.847 0.042 15.505 234 HG22 THR 32 HG22 THR 32 16.115 -0.399 13.820 235 HG23 THR 32 HG23 THR 32 16.363 -1.597 15.095 236 H ASP 33 H ASP 33 13.726 -4.285 15.451 237 HA ASP 33 HA ASP 33 16.406 -5.463 15.313 238 HB2 ASP 33 HB2 ASP 33 14.072 -6.089 17.143 239 HB3 ASP 33 HB3 ASP 33 15.665 -6.823 17.251 240 H GLY 34 H GLY 34 13.076 -6.039 14.462 241 HA2 GLY 34 HA2 GLY 34 12.486 -7.295 12.541 242 HA3 GLY 34 HA3 GLY 34 13.871 -8.335 12.798 243 H ASP 35 H ASP 35 12.016 -7.599 15.604 244 HA ASP 35 HA ASP 35 11.154 -10.273 15.980 245 HB2 ASP 35 HB2 ASP 35 10.002 -9.391 17.969 246 HB3 ASP 35 HB3 ASP 35 11.661 -8.831 17.880 247 H LYS 36 H LYS 36 9.713 -7.488 14.492 248 HA LYS 36 HA LYS 36 7.255 -9.031 13.979 249 HB2 LYS 36 HB2 LYS 36 7.322 -6.078 13.548 250 HB3 LYS 36 HB3 LYS 36 5.991 -7.104 14.024 251 HG2 LYS 36 HG2 LYS 36 7.186 -7.374 16.245 252 HG3 LYS 36 HG3 LYS 36 8.216 -6.041 15.723 253 HD2 LYS 36 HD2 LYS 36 6.362 -4.549 15.591 254 HD3 LYS 36 HD3 LYS 36 5.208 -5.880 15.775 255 HE2 LYS 36 HE2 LYS 36 5.415 -4.629 17.841 256 HE3 LYS 36 HE3 LYS 36 6.032 -6.265 18.046 257 HZ1 LYS 36 HZ1 LYS 36 7.704 -3.856 17.583 258 HZ2 LYS 36 HZ2 LYS 36 8.276 -5.429 17.821 259 HZ3 LYS 36 HZ3 LYS 36 7.481 -4.620 19.076 260 H VAL 37 H VAL 37 6.587 -9.278 11.861 261 HA VAL 37 HA VAL 37 8.168 -8.089 9.707 262 HB VAL 37 HB VAL 37 8.085 -11.092 10.133 263 HG11 VAL 37 HG11 VAL 37 8.027 -10.604 7.763 264 HG12 VAL 37 HG12 VAL 37 9.593 -11.278 8.216 265 HG13 VAL 37 HG13 VAL 37 9.430 -9.548 7.924 266 HG21 VAL 37 HG21 VAL 37 10.372 -11.048 10.664 267 HG22 VAL 37 HG22 VAL 37 9.622 -9.772 11.626 268 HG23 VAL 37 HG23 VAL 37 10.533 -9.361 10.174 269 H HIS 38 H HIS 38 6.865 -7.565 8.074 270 HA HIS 38 HA HIS 38 4.372 -9.083 7.611 271 HB2 HIS 38 HB2 HIS 38 4.915 -6.116 7.379 272 HB3 HIS 38 HB3 HIS 38 3.517 -6.876 6.632 273 HD1 HIS 38 HD1 HIS 38 1.559 -7.506 8.155 274 HD2 HIS 38 HD2 HIS 38 4.828 -5.966 10.209 275 HE1 HIS 38 HE1 HIS 38 0.741 -7.072 10.494 276 HE2 HIS 38 HE2 HIS 38 2.758 -6.217 11.739 277 H THR 39 H THR 39 3.774 -9.444 5.394 278 HA THR 39 HA THR 39 5.942 -8.983 3.455 279 HB THR 39 HB THR 39 4.478 -11.602 3.851 280 HG1 THR 39 HG1 THR 39 6.464 -12.332 4.606 281 HG21 THR 39 HG21 THR 39 5.013 -11.260 1.485 282 HG22 THR 39 HG22 THR 39 6.043 -12.513 2.179 283 HG23 THR 39 HG23 THR 39 6.686 -10.893 1.909 284 H VAL 40 H VAL 40 5.351 -8.171 1.572 285 HA VAL 40 HA VAL 40 2.526 -8.306 0.707 286 HB VAL 40 HB VAL 40 4.680 -6.245 0.205 287 HG11 VAL 40 HG11 VAL 40 3.306 -4.960 -1.185 288 HG12 VAL 40 HG12 VAL 40 1.873 -5.901 -0.775 289 HG13 VAL 40 HG13 VAL 40 3.121 -6.609 -1.805 290 HG21 VAL 40 HG21 VAL 40 3.191 -4.700 1.352 291 HG22 VAL 40 HG22 VAL 40 3.705 -6.044 2.373 292 HG23 VAL 40 HG23 VAL 40 2.084 -6.035 1.676 293 H VAL 41 H VAL 41 2.398 -9.999 -0.762 294 HA VAL 41 HA VAL 41 4.538 -10.577 -2.613 295 HB VAL 41 HB VAL 41 1.718 -11.744 -2.500 296 HG11 VAL 41 HG11 VAL 41 2.716 -12.054 -4.708 297 HG12 VAL 41 HG12 VAL 41 2.654 -13.594 -3.849 298 HG13 VAL 41 HG13 VAL 41 4.177 -12.717 -3.980 299 HG21 VAL 41 HG21 VAL 41 2.814 -13.692 -1.441 300 HG22 VAL 41 HG22 VAL 41 2.972 -12.230 -0.465 301 HG23 VAL 41 HG23 VAL 41 4.341 -12.806 -1.420 302 H LEU 42 H LEU 42 4.756 -9.621 -4.586 303 HA LEU 42 HA LEU 42 2.978 -7.466 -5.179 304 HB2 LEU 42 HB2 LEU 42 5.462 -8.425 -6.577 305 HB3 LEU 42 HB3 LEU 42 4.494 -7.124 -7.213 306 HG LEU 42 HG LEU 42 6.580 -7.032 -5.245 307 HD11 LEU 42 HD11 LEU 42 6.199 -5.536 -7.218 308 HD12 LEU 42 HD12 LEU 42 6.601 -4.729 -5.709 309 HD13 LEU 42 HD13 LEU 42 4.935 -4.750 -6.271 310 HD21 LEU 42 HD21 LEU 42 3.986 -5.834 -4.315 311 HD22 LEU 42 HD22 LEU 42 5.565 -5.643 -3.553 312 HD23 LEU 42 HD23 LEU 42 4.788 -7.227 -3.592 313 H SER 43 H SER 43 3.295 -10.696 -6.475 314 HA SER 43 HA SER 43 1.867 -10.283 -8.910 315 HB2 SER 43 HB2 SER 43 1.623 -12.689 -8.992 316 HB3 SER 43 HB3 SER 43 3.239 -12.317 -8.392 317 HG SER 43 HG SER 43 1.235 -12.617 -6.487 318 H THR 44 H THR 44 0.893 -9.809 -5.821 319 HA THR 44 HA THR 44 -1.953 -10.281 -6.425 320 HB THR 44 HB THR 44 -2.416 -10.442 -4.089 321 HG1 THR 44 HG1 THR 44 -0.714 -8.785 -3.552 322 HG21 THR 44 HG21 THR 44 -1.473 -12.491 -5.044 323 HG22 THR 44 HG22 THR 44 -1.051 -12.324 -3.338 324 HG23 THR 44 HG23 THR 44 0.144 -11.951 -4.584 325 H ILE 45 H ILE 45 0.327 -7.982 -6.500 326 HA ILE 45 HA ILE 45 -1.333 -5.764 -5.494 327 HB ILE 45 HB ILE 45 1.649 -5.887 -6.021 328 HG12 ILE 45 HG12 ILE 45 0.979 -7.158 -4.015 329 HG13 ILE 45 HG13 ILE 45 1.960 -5.765 -3.601 330 HG21 ILE 45 HG21 ILE 45 1.904 -3.683 -5.161 331 HG22 ILE 45 HG22 ILE 45 0.196 -3.591 -4.725 332 HG23 ILE 45 HG23 ILE 45 0.670 -3.625 -6.422 333 HD11 ILE 45 HD11 ILE 45 -0.002 -4.582 -2.800 334 HD12 ILE 45 HD12 ILE 45 0.117 -6.159 -2.019 335 HD13 ILE 45 HD13 ILE 45 -1.040 -5.912 -3.317 336 H ASP 46 H ASP 46 -1.833 -4.045 -6.830 337 HA ASP 46 HA ASP 46 -1.384 -4.512 -9.701 338 HB2 ASP 46 HB2 ASP 46 -3.742 -4.622 -8.909 339 HB3 ASP 46 HB3 ASP 46 -3.627 -2.960 -8.372 340 H LYS 47 H LYS 47 -1.690 -1.800 -7.349 341 HA LYS 47 HA LYS 47 0.097 -0.219 -9.017 342 HB2 LYS 47 HB2 LYS 47 -2.464 0.616 -7.619 343 HB3 LYS 47 HB3 LYS 47 -1.315 1.712 -8.348 344 HG2 LYS 47 HG2 LYS 47 -1.681 0.804 -10.477 345 HG3 LYS 47 HG3 LYS 47 -2.764 -0.420 -9.832 346 HD2 LYS 47 HD2 LYS 47 -4.306 1.370 -9.122 347 HD3 LYS 47 HD3 LYS 47 -3.219 2.574 -9.806 348 HE2 LYS 47 HE2 LYS 47 -3.512 1.527 -12.000 349 HE3 LYS 47 HE3 LYS 47 -4.685 0.405 -11.307 350 HZ1 LYS 47 HZ1 LYS 47 -6.068 2.313 -10.694 351 HZ2 LYS 47 HZ2 LYS 47 -5.813 2.249 -12.366 352 HZ3 LYS 47 HZ3 LYS 47 -4.959 3.365 -11.423 353 H LEU 48 H LEU 48 0.946 1.714 -7.706 354 HA LEU 48 HA LEU 48 1.161 1.302 -4.818 355 HB2 LEU 48 HB2 LEU 48 3.799 1.965 -5.578 356 HB3 LEU 48 HB3 LEU 48 3.266 0.464 -4.867 357 HG LEU 48 HG LEU 48 2.868 -0.423 -7.165 358 HD11 LEU 48 HD11 LEU 48 2.902 0.952 -8.909 359 HD12 LEU 48 HD12 LEU 48 4.621 1.241 -8.611 360 HD13 LEU 48 HD13 LEU 48 3.407 2.295 -7.885 361 HD21 LEU 48 HD21 LEU 48 5.162 -0.895 -7.566 362 HD22 LEU 48 HD22 LEU 48 4.902 -0.853 -5.822 363 HD23 LEU 48 HD23 LEU 48 5.666 0.515 -6.642 364 H GLN 49 H GLN 49 1.276 3.292 -3.757 365 HA GLN 49 HA GLN 49 1.792 5.684 -5.403 366 HB2 GLN 49 HB2 GLN 49 -0.660 5.406 -5.198 367 HB3 GLN 49 HB3 GLN 49 -0.506 5.362 -3.454 368 HG2 GLN 49 HG2 GLN 49 -0.383 7.591 -3.266 369 HG3 GLN 49 HG3 GLN 49 0.638 7.766 -4.686 370 HE21 GLN 49 HE21 GLN 49 -0.775 9.721 -4.981 371 HE22 GLN 49 HE22 GLN 49 -2.276 9.520 -5.808 372 H ALA 50 H ALA 50 3.338 6.933 -4.548 373 HA ALA 50 HA ALA 50 3.854 6.774 -1.646 374 HB1 ALA 50 HB1 ALA 50 5.801 7.389 -3.858 375 HB2 ALA 50 HB2 ALA 50 5.643 5.841 -3.025 376 HB3 ALA 50 HB3 ALA 50 6.188 7.265 -2.140 377 H THR 51 H THR 51 4.518 8.671 -0.519 378 HA THR 51 HA THR 51 3.144 11.066 -1.198 379 HB THR 51 HB THR 51 4.394 12.098 0.727 380 HG1 THR 51 HG1 THR 51 6.072 11.065 1.499 381 HG21 THR 51 HG21 THR 51 2.884 9.497 1.122 382 HG22 THR 51 HG22 THR 51 2.276 11.147 1.275 383 HG23 THR 51 HG23 THR 51 3.399 10.507 2.472 384 HA PRO 52 HA PRO 52 6.276 12.908 -4.009 385 HB2 PRO 52 HB2 PRO 52 4.780 15.372 -3.305 386 HB3 PRO 52 HB3 PRO 52 5.211 14.739 -4.892 387 HG2 PRO 52 HG2 PRO 52 2.760 14.556 -3.956 388 HG3 PRO 52 HG3 PRO 52 3.385 13.388 -4.911 389 HD2 PRO 52 HD2 PRO 52 2.896 13.267 -2.100 390 HD3 PRO 52 HD3 PRO 52 2.881 12.034 -3.171 391 H ALA 53 H ALA 53 7.923 14.562 -3.853 392 HA ALA 53 HA ALA 53 9.008 14.903 -1.221 393 HB1 ALA 53 HB1 ALA 53 9.937 16.106 -3.826 394 HB2 ALA 53 HB2 ALA 53 10.424 14.532 -3.198 395 HB3 ALA 53 HB3 ALA 53 10.864 16.002 -2.330 396 H SER 54 H SER 54 6.761 16.647 -3.012 397 HA SER 54 HA SER 54 7.198 19.158 -1.591 398 HB2 SER 54 HB2 SER 54 5.395 20.034 -2.948 399 HB3 SER 54 HB3 SER 54 6.517 19.170 -3.997 400 HG SER 54 HG SER 54 5.061 17.596 -4.276 401 H SER 55 H SER 55 5.474 16.243 -1.275 402 HA SER 55 HA SER 55 3.238 17.151 0.224 403 HB2 SER 55 HB2 SER 55 2.933 15.135 -0.892 404 HB3 SER 55 HB3 SER 55 4.438 14.457 -0.278 405 HG SER 55 HG SER 55 2.625 15.241 1.646 406 H GLU 56 H GLU 56 2.932 17.407 2.316 407 HA GLU 56 HA GLU 56 4.948 17.713 4.224 408 HB2 GLU 56 HB2 GLU 56 2.100 17.028 4.811 409 HB3 GLU 56 HB3 GLU 56 3.203 17.944 5.823 410 HG2 GLU 56 HG2 GLU 56 1.733 19.498 4.865 411 HG3 GLU 56 HG3 GLU 56 3.243 19.656 3.998 412 H LYS 57 H LYS 57 3.282 14.954 3.140 413 HA LYS 57 HA LYS 57 3.577 13.363 5.507 414 HB2 LYS 57 HB2 LYS 57 2.481 12.825 2.773 415 HB3 LYS 57 HB3 LYS 57 2.497 11.657 4.055 416 HG2 LYS 57 HG2 LYS 57 1.056 13.096 5.378 417 HG3 LYS 57 HG3 LYS 57 1.064 14.283 4.094 418 HD2 LYS 57 HD2 LYS 57 -0.155 12.888 2.657 419 HD3 LYS 57 HD3 LYS 57 0.088 11.478 3.700 420 HE2 LYS 57 HE2 LYS 57 -1.180 12.565 5.464 421 HE3 LYS 57 HE3 LYS 57 -1.453 13.962 4.424 422 HZ1 LYS 57 HZ1 LYS 57 -3.368 12.486 4.423 423 HZ2 LYS 57 HZ2 LYS 57 -2.413 11.202 3.875 424 HZ3 LYS 57 HZ3 LYS 57 -2.668 12.549 2.884 425 H MET 58 H MET 58 4.726 11.478 5.724 426 HA MET 58 HA MET 58 6.530 10.711 3.525 427 HB2 MET 58 HB2 MET 58 7.045 10.500 6.500 428 HB3 MET 58 HB3 MET 58 8.083 9.833 5.267 429 HG2 MET 58 HG2 MET 58 7.474 12.750 5.704 430 HG3 MET 58 HG3 MET 58 8.983 11.926 6.088 431 HE1 MET 58 HE1 MET 58 9.763 10.152 3.690 432 HE2 MET 58 HE2 MET 58 10.833 11.346 4.417 433 HE3 MET 58 HE3 MET 58 10.630 11.297 2.664 434 H MET 59 H MET 59 5.321 9.132 2.626 435 HA MET 59 HA MET 59 4.811 6.708 4.090 436 HB2 MET 59 HB2 MET 59 2.542 8.273 2.899 437 HB3 MET 59 HB3 MET 59 2.412 6.643 3.488 438 HG2 MET 59 HG2 MET 59 2.918 7.400 5.713 439 HG3 MET 59 HG3 MET 59 3.113 9.050 5.163 440 HE1 MET 59 HE1 MET 59 -0.935 6.816 5.793 441 HE2 MET 59 HE2 MET 59 0.530 6.467 6.718 442 HE3 MET 59 HE3 MET 59 0.457 6.072 5.008 443 H LEU 60 H LEU 60 4.324 4.922 2.791 444 HA LEU 60 HA LEU 60 4.345 5.323 -0.116 445 HB2 LEU 60 HB2 LEU 60 6.564 4.645 0.281 446 HB3 LEU 60 HB3 LEU 60 6.090 3.494 1.502 447 HG LEU 60 HG LEU 60 4.930 2.279 -0.523 448 HD11 LEU 60 HD11 LEU 60 7.160 3.710 -1.929 449 HD12 LEU 60 HD12 LEU 60 5.456 4.153 -2.057 450 HD13 LEU 60 HD13 LEU 60 5.990 2.563 -2.605 451 HD21 LEU 60 HD21 LEU 60 6.735 1.275 0.752 452 HD22 LEU 60 HD22 LEU 60 7.916 2.248 -0.131 453 HD23 LEU 60 HD23 LEU 60 6.967 1.016 -0.980 454 H ARG 61 H ARG 61 2.580 4.448 -0.972 455 HA ARG 61 HA ARG 61 1.059 2.508 0.617 456 HB2 ARG 61 HB2 ARG 61 -0.080 4.593 -0.052 457 HB3 ARG 61 HB3 ARG 61 0.129 4.162 -1.731 458 HG2 ARG 61 HG2 ARG 61 -1.346 2.346 -1.553 459 HG3 ARG 61 HG3 ARG 61 -1.356 2.426 0.200 460 HD2 ARG 61 HD2 ARG 61 -3.397 3.381 -0.447 461 HD3 ARG 61 HD3 ARG 61 -2.356 4.753 -0.078 462 HE ARG 61 HE ARG 61 -2.139 4.205 -2.815 463 HH11 ARG 61 HH11 ARG 61 -4.527 5.468 -0.573 464 HH12 ARG 61 HH12 ARG 61 -5.390 6.329 -1.803 465 HH21 ARG 61 HH21 ARG 61 -3.283 5.338 -4.403 466 HH22 ARG 61 HH22 ARG 61 -4.687 6.256 -3.968 467 H LEU 62 H LEU 62 0.288 0.629 -0.202 468 HA LEU 62 HA LEU 62 1.247 -0.259 -2.838 469 HB2 LEU 62 HB2 LEU 62 1.456 -1.537 -0.157 470 HB3 LEU 62 HB3 LEU 62 1.142 -2.572 -1.526 471 HG LEU 62 HG LEU 62 3.470 -2.669 -1.072 472 HD11 LEU 62 HD11 LEU 62 3.034 -0.867 -3.431 473 HD12 LEU 62 HD12 LEU 62 2.862 -2.623 -3.408 474 HD13 LEU 62 HD13 LEU 62 4.445 -1.889 -3.146 475 HD21 LEU 62 HD21 LEU 62 3.685 0.325 -1.331 476 HD22 LEU 62 HD22 LEU 62 4.964 -0.819 -0.917 477 HD23 LEU 62 HD23 LEU 62 3.633 -0.529 0.207 478 H ILE 63 H ILE 63 -0.540 -0.235 -4.013 479 HA ILE 63 HA ILE 63 -3.162 -0.809 -2.897 480 HB ILE 63 HB ILE 63 -2.403 -0.076 -5.723 481 HG12 ILE 63 HG12 ILE 63 -3.446 1.875 -3.679 482 HG13 ILE 63 HG13 ILE 63 -1.733 1.656 -3.970 483 HG21 ILE 63 HG21 ILE 63 -4.703 0.734 -5.974 484 HG22 ILE 63 HG22 ILE 63 -5.065 0.155 -4.343 485 HG23 ILE 63 HG23 ILE 63 -4.641 -0.995 -5.613 486 HD11 ILE 63 HD11 ILE 63 -3.750 2.587 -5.989 487 HD12 ILE 63 HD12 ILE 63 -2.019 2.388 -6.269 488 HD13 ILE 63 HD13 ILE 63 -2.594 3.601 -5.125 489 H GLY 64 H GLY 64 -4.357 -2.605 -3.276 490 HA2 GLY 64 HA2 GLY 64 -2.870 -4.896 -4.290 491 HA3 GLY 64 HA3 GLY 64 -4.275 -4.953 -3.250 492 H LYS 65 H LYS 65 -4.095 -6.667 -5.289 493 HA LYS 65 HA LYS 65 -5.586 -5.728 -7.581 494 HB2 LYS 65 HB2 LYS 65 -3.789 -7.424 -7.766 495 HB3 LYS 65 HB3 LYS 65 -4.776 -8.538 -6.827 496 HG2 LYS 65 HG2 LYS 65 -6.543 -8.317 -8.573 497 HG3 LYS 65 HG3 LYS 65 -5.385 -7.398 -9.538 498 HD2 LYS 65 HD2 LYS 65 -4.850 -10.163 -8.500 499 HD3 LYS 65 HD3 LYS 65 -5.562 -9.846 -10.076 500 HE2 LYS 65 HE2 LYS 65 -3.578 -8.519 -10.681 501 HE3 LYS 65 HE3 LYS 65 -2.884 -8.847 -9.097 502 HZ1 LYS 65 HZ1 LYS 65 -2.836 -11.195 -9.650 503 HZ2 LYS 65 HZ2 LYS 65 -1.972 -10.295 -10.793 504 HZ3 LYS 65 HZ3 LYS 65 -3.516 -10.877 -11.168 505 H VAL 66 H VAL 66 -7.732 -6.067 -7.991 506 HA VAL 66 HA VAL 66 -9.337 -6.695 -5.648 507 HB VAL 66 HB VAL 66 -10.151 -5.403 -8.266 508 HG11 VAL 66 HG11 VAL 66 -11.736 -5.753 -5.729 509 HG12 VAL 66 HG12 VAL 66 -11.998 -6.627 -7.238 510 HG13 VAL 66 HG13 VAL 66 -12.263 -4.885 -7.170 511 HG21 VAL 66 HG21 VAL 66 -8.743 -3.905 -7.003 512 HG22 VAL 66 HG22 VAL 66 -9.685 -4.196 -5.542 513 HG23 VAL 66 HG23 VAL 66 -10.415 -3.348 -6.907 514 H ASP 67 H ASP 67 -10.566 -8.416 -5.450 515 HA ASP 67 HA ASP 67 -11.154 -10.085 -7.797 516 HB2 ASP 67 HB2 ASP 67 -10.061 -11.201 -5.844 517 HB3 ASP 67 HB3 ASP 67 -11.461 -10.788 -4.859 518 H GLU 68 H GLU 68 -12.803 -8.775 -8.617 519 HA GLU 68 HA GLU 68 -15.076 -8.102 -6.941 520 HB2 GLU 68 HB2 GLU 68 -15.900 -6.831 -8.832 521 HB3 GLU 68 HB3 GLU 68 -14.203 -6.462 -8.571 522 HG2 GLU 68 HG2 GLU 68 -13.564 -7.868 -10.443 523 HG3 GLU 68 HG3 GLU 68 -15.239 -8.379 -10.653 524 H SER 69 H SER 69 -14.212 -10.836 -8.574 525 HA SER 69 HA SER 69 -16.720 -11.609 -9.725 526 HB2 SER 69 HB2 SER 69 -15.703 -13.785 -10.040 527 HB3 SER 69 HB3 SER 69 -14.515 -12.544 -10.436 528 HG SER 69 HG SER 69 -13.834 -14.376 -9.036 529 H LYS 70 H LYS 70 -15.547 -11.470 -6.556 530 HA LYS 70 HA LYS 70 -17.441 -13.428 -5.482 531 HB2 LYS 70 HB2 LYS 70 -15.207 -11.827 -4.222 532 HB3 LYS 70 HB3 LYS 70 -16.304 -12.843 -3.297 533 HG2 LYS 70 HG2 LYS 70 -15.590 -14.788 -4.577 534 HG3 LYS 70 HG3 LYS 70 -14.514 -13.782 -5.529 535 HD2 LYS 70 HD2 LYS 70 -13.235 -13.237 -3.473 536 HD3 LYS 70 HD3 LYS 70 -14.306 -14.278 -2.541 537 HE2 LYS 70 HE2 LYS 70 -13.562 -16.211 -3.861 538 HE3 LYS 70 HE3 LYS 70 -12.485 -15.165 -4.783 539 HZ1 LYS 70 HZ1 LYS 70 -11.286 -16.316 -3.044 540 HZ2 LYS 70 HZ2 LYS 70 -12.323 -15.689 -1.863 541 HZ3 LYS 70 HZ3 LYS 70 -11.300 -14.653 -2.728 542 H LYS 71 H LYS 71 -18.511 -11.191 -6.715 543 HA LYS 71 HA LYS 71 -19.208 -8.922 -5.421 544 HB2 LYS 71 HB2 LYS 71 -21.091 -10.677 -7.013 545 HB3 LYS 71 HB3 LYS 71 -21.414 -9.010 -6.589 546 HG2 LYS 71 HG2 LYS 71 -19.492 -8.298 -7.904 547 HG3 LYS 71 HG3 LYS 71 -19.176 -9.972 -8.346 548 HD2 LYS 71 HD2 LYS 71 -21.418 -10.082 -9.394 549 HD3 LYS 71 HD3 LYS 71 -21.653 -8.377 -9.014 550 HE2 LYS 71 HE2 LYS 71 -19.706 -7.816 -10.364 551 HE3 LYS 71 HE3 LYS 71 -19.482 -9.515 -10.768 552 HZ1 LYS 71 HZ1 LYS 71 -21.646 -9.494 -11.862 553 HZ2 LYS 71 HZ2 LYS 71 -20.619 -8.336 -12.543 554 HZ3 LYS 71 HZ3 LYS 71 -21.845 -7.857 -11.481 555 H ARG 72 H ARG 72 -20.006 -8.413 -3.544 556 HA ARG 72 HA ARG 72 -21.445 -10.424 -1.963 557 HB2 ARG 72 HB2 ARG 72 -19.784 -8.007 -1.219 558 HB3 ARG 72 HB3 ARG 72 -20.683 -8.937 -0.039 559 HG2 ARG 72 HG2 ARG 72 -19.317 -10.931 -0.684 560 HG3 ARG 72 HG3 ARG 72 -18.358 -9.871 -1.723 561 HD2 ARG 72 HD2 ARG 72 -17.226 -10.138 0.385 562 HD3 ARG 72 HD3 ARG 72 -17.821 -8.484 0.255 563 HE ARG 72 HE ARG 72 -18.971 -10.592 1.959 564 HH11 ARG 72 HH11 ARG 72 -18.652 -7.186 1.149 565 HH12 ARG 72 HH12 ARG 72 -19.479 -6.653 2.576 566 HH21 ARG 72 HH21 ARG 72 -20.051 -9.865 3.819 567 HH22 ARG 72 HH22 ARG 72 -20.267 -8.168 4.082 568 H LYS 73 H LYS 73 -23.295 -9.807 -0.736 569 HA LYS 73 HA LYS 73 -24.563 -7.262 -1.507 570 HB2 LYS 73 HB2 LYS 73 -25.927 -9.948 -1.193 571 HB3 LYS 73 HB3 LYS 73 -26.765 -8.421 -1.397 572 HG2 LYS 73 HG2 LYS 73 -25.621 -8.131 -3.568 573 HG3 LYS 73 HG3 LYS 73 -24.939 -9.738 -3.365 574 HD2 LYS 73 HD2 LYS 73 -27.209 -10.664 -3.245 575 HD3 LYS 73 HD3 LYS 73 -27.862 -9.049 -3.524 576 HE2 LYS 73 HE2 LYS 73 -26.707 -8.952 -5.672 577 HE3 LYS 73 HE3 LYS 73 -26.053 -10.566 -5.400 578 HZ1 LYS 73 HZ1 LYS 73 -28.311 -11.436 -5.378 579 HZ2 LYS 73 HZ2 LYS 73 -27.990 -10.639 -6.835 580 HZ3 LYS 73 HZ3 LYS 73 -28.935 -9.887 -5.651 581 H ASP 74 H ASP 74 -25.734 -6.217 0.083 582 HA ASP 74 HA ASP 74 -24.894 -6.833 2.784 583 HB2 ASP 74 HB2 ASP 74 -25.739 -4.598 3.350 584 HB3 ASP 74 HB3 ASP 74 -24.678 -4.537 1.952 585 H ASN 75 H ASN 75 -26.947 -5.782 4.360 586 HA ASN 75 HA ASN 75 -28.506 -8.037 4.854 587 HB2 ASN 75 HB2 ASN 75 -28.867 -5.169 5.714 588 HB3 ASN 75 HB3 ASN 75 -29.874 -6.481 6.316 589 HD21 ASN 75 HD21 ASN 75 -28.297 -4.858 7.946 590 HD22 ASN 75 HD22 ASN 75 -27.053 -5.826 8.653 591 H GLU 76 H GLU 76 -29.227 -5.300 2.782 592 HA GLU 76 HA GLU 76 -32.053 -5.984 2.623 593 HB2 GLU 76 HB2 GLU 76 -30.467 -3.740 1.371 594 HB3 GLU 76 HB3 GLU 76 -32.195 -3.967 1.148 595 HG2 GLU 76 HG2 GLU 76 -32.561 -3.664 3.537 596 HG3 GLU 76 HG3 GLU 76 -30.826 -3.492 3.790 597 H GLY 77 H GLY 77 -29.151 -6.455 0.779 598 HA2 GLY 77 HA2 GLY 77 -29.102 -8.264 -0.819 599 HA3 GLY 77 HA3 GLY 77 -30.738 -7.842 -1.282 600 H ASN 78 H ASN 78 -28.620 -5.191 -0.824 601 HA ASN 78 HA ASN 78 -28.517 -4.669 -3.689 602 HB2 ASN 78 HB2 ASN 78 -27.624 -3.003 -1.318 603 HB3 ASN 78 HB3 ASN 78 -27.547 -2.475 -2.996 604 HD21 ASN 78 HD21 ASN 78 -29.260 -2.167 -0.271 605 HD22 ASN 78 HD22 ASN 78 -30.822 -1.815 -0.918 606 H GLU 79 H GLU 79 -26.567 -4.292 -4.842 607 HA GLU 79 HA GLU 79 -24.537 -6.184 -4.191 608 HB2 GLU 79 HB2 GLU 79 -25.372 -5.505 -6.522 609 HB3 GLU 79 HB3 GLU 79 -24.293 -4.135 -6.342 610 HG2 GLU 79 HG2 GLU 79 -22.406 -5.657 -6.050 611 HG3 GLU 79 HG3 GLU 79 -23.483 -7.025 -6.283 612 H VAL 80 H VAL 80 -22.992 -5.888 -2.794 613 HA VAL 80 HA VAL 80 -21.623 -3.284 -2.717 614 HB VAL 80 HB VAL 80 -21.843 -5.228 -0.400 615 HG11 VAL 80 HG11 VAL 80 -20.575 -2.501 -0.559 616 HG12 VAL 80 HG12 VAL 80 -19.731 -4.042 -0.401 617 HG13 VAL 80 HG13 VAL 80 -20.757 -3.460 0.910 618 HG21 VAL 80 HG21 VAL 80 -23.970 -4.038 -0.813 619 HG22 VAL 80 HG22 VAL 80 -23.112 -2.504 -0.650 620 HG23 VAL 80 HG23 VAL 80 -23.228 -3.596 0.728 621 H VAL 81 H VAL 81 -19.932 -3.552 -3.991 622 HA VAL 81 HA VAL 81 -18.674 -6.152 -4.146 623 HB VAL 81 HB VAL 81 -18.331 -3.731 -5.905 624 HG11 VAL 81 HG11 VAL 81 -17.151 -6.479 -6.264 625 HG12 VAL 81 HG12 VAL 81 -16.275 -4.973 -5.972 626 HG13 VAL 81 HG13 VAL 81 -17.149 -5.208 -7.488 627 HG21 VAL 81 HG21 VAL 81 -19.569 -4.961 -7.600 628 HG22 VAL 81 HG22 VAL 81 -20.530 -4.775 -6.133 629 HG23 VAL 81 HG23 VAL 81 -19.761 -6.319 -6.491 630 HA PRO 82 HA PRO 82 -15.329 -5.032 -1.364 631 HB2 PRO 82 HB2 PRO 82 -13.892 -7.188 -2.851 632 HB3 PRO 82 HB3 PRO 82 -14.100 -6.975 -1.108 633 HG2 PRO 82 HG2 PRO 82 -15.538 -8.742 -2.296 634 HG3 PRO 82 HG3 PRO 82 -16.286 -7.749 -1.237 635 HD2 PRO 82 HD2 PRO 82 -16.292 -7.508 -4.138 636 HD3 PRO 82 HD3 PRO 82 -17.591 -7.428 -3.152 637 H LYS 83 H LYS 83 -13.807 -3.603 -1.438 638 HA LYS 83 HA LYS 83 -12.825 -2.671 -4.032 639 HB2 LYS 83 HB2 LYS 83 -12.928 -1.370 -1.311 640 HB3 LYS 83 HB3 LYS 83 -12.153 -0.629 -2.680 641 HG2 LYS 83 HG2 LYS 83 -14.257 -0.605 -3.809 642 HG3 LYS 83 HG3 LYS 83 -15.055 -1.380 -2.478 643 HD2 LYS 83 HD2 LYS 83 -14.544 0.559 -1.078 644 HD3 LYS 83 HD3 LYS 83 -13.727 1.337 -2.430 645 HE2 LYS 83 HE2 LYS 83 -15.843 1.416 -3.660 646 HE3 LYS 83 HE3 LYS 83 -16.656 0.597 -2.328 647 HZ1 LYS 83 HZ1 LYS 83 -15.361 3.266 -2.192 648 HZ2 LYS 83 HZ2 LYS 83 -16.124 2.481 -0.902 649 HZ3 LYS 83 HZ3 LYS 83 -17.027 2.975 -2.243 650 HA PRO 84 HA PRO 84 -8.611 -3.913 -3.559 651 HB2 PRO 84 HB2 PRO 84 -7.051 -1.769 -4.027 652 HB3 PRO 84 HB3 PRO 84 -7.929 -2.594 -5.308 653 HG2 PRO 84 HG2 PRO 84 -8.627 -0.104 -3.938 654 HG3 PRO 84 HG3 PRO 84 -8.672 -0.429 -5.538 655 HD2 PRO 84 HD2 PRO 84 -11.041 -0.763 -4.086 656 HD3 PRO 84 HD3 PRO 84 -10.746 -1.814 -5.301 657 H GLN 85 H GLN 85 -6.961 -4.130 -2.170 658 HA GLN 85 HA GLN 85 -7.134 -2.665 0.353 659 HB2 GLN 85 HB2 GLN 85 -6.844 -5.320 -0.075 660 HB3 GLN 85 HB3 GLN 85 -5.161 -4.851 0.094 661 HG2 GLN 85 HG2 GLN 85 -7.259 -4.111 2.110 662 HG3 GLN 85 HG3 GLN 85 -6.342 -5.609 2.188 663 HE21 GLN 85 HE21 GLN 85 -4.253 -3.588 0.827 664 HE22 GLN 85 HE22 GLN 85 -3.462 -2.945 2.221 665 H ARG 86 H ARG 86 -5.701 -1.250 1.014 666 HA ARG 86 HA ARG 86 -3.331 -0.787 -0.693 667 HB2 ARG 86 HB2 ARG 86 -5.151 1.207 0.677 668 HB3 ARG 86 HB3 ARG 86 -3.579 1.642 0.019 669 HG2 ARG 86 HG2 ARG 86 -4.262 1.241 -2.187 670 HG3 ARG 86 HG3 ARG 86 -5.665 0.310 -1.675 671 HD2 ARG 86 HD2 ARG 86 -6.735 2.300 -0.827 672 HD3 ARG 86 HD3 ARG 86 -5.300 3.262 -1.190 673 HE ARG 86 HE ARG 86 -6.126 2.058 -3.561 674 HH11 ARG 86 HH11 ARG 86 -7.376 4.457 -1.319 675 HH12 ARG 86 HH12 ARG 86 -8.274 5.296 -2.539 676 HH21 ARG 86 HH21 ARG 86 -7.305 3.175 -5.140 677 HH22 ARG 86 HH22 ARG 86 -8.232 4.570 -4.701 678 H HIS 87 H HIS 87 -1.511 -1.267 0.331 679 HA HIS 87 HA HIS 87 -1.373 -1.178 3.258 680 HB2 HIS 87 HB2 HIS 87 0.536 -2.379 1.231 681 HB3 HIS 87 HB3 HIS 87 0.720 -2.485 2.975 682 HD1 HIS 87 HD1 HIS 87 -1.444 -3.762 4.169 683 HD2 HIS 87 HD2 HIS 87 -0.703 -4.510 0.148 684 HE1 HIS 87 HE1 HIS 87 -2.600 -5.939 3.663 685 HE2 HIS 87 HE2 HIS 87 -2.199 -6.333 1.208 686 H MET 88 H MET 88 -0.639 0.651 4.141 687 HA MET 88 HA MET 88 1.213 2.334 2.596 688 HB2 MET 88 HB2 MET 88 -0.573 3.139 4.898 689 HB3 MET 88 HB3 MET 88 0.396 4.210 3.927 690 HG2 MET 88 HG2 MET 88 -1.007 3.874 2.001 691 HG3 MET 88 HG3 MET 88 -1.855 2.559 2.795 692 HE1 MET 88 HE1 MET 88 -1.904 6.321 2.040 693 HE2 MET 88 HE2 MET 88 -0.820 6.247 3.428 694 HE3 MET 88 HE3 MET 88 -2.385 7.030 3.582 695 H PHE 89 H PHE 89 3.128 2.867 3.303 696 HA PHE 89 HA PHE 89 3.994 2.039 6.000 697 HB2 PHE 89 HB2 PHE 89 5.565 2.252 3.410 698 HB3 PHE 89 HB3 PHE 89 6.306 1.984 4.978 699 HD1 PHE 89 HD1 PHE 89 4.422 0.489 2.248 700 HD2 PHE 89 HD2 PHE 89 6.052 -0.175 6.118 701 HE1 PHE 89 HE1 PHE 89 4.151 -1.932 1.921 702 HE2 PHE 89 HE2 PHE 89 5.775 -2.603 5.814 703 HZ PHE 89 HZ PHE 89 4.823 -3.480 3.722 704 H SER 90 H SER 90 5.760 3.491 6.910 705 HA SER 90 HA SER 90 5.524 6.256 5.899 706 HB2 SER 90 HB2 SER 90 6.434 6.058 8.651 707 HB3 SER 90 HB3 SER 90 5.152 7.046 7.970 708 HG SER 90 HG SER 90 3.940 4.967 7.935 709 H PHE 91 H PHE 91 7.383 7.539 5.870 710 HA PHE 91 HA PHE 91 9.925 6.044 5.947 711 HB2 PHE 91 HB2 PHE 91 8.736 7.643 3.696 712 HB3 PHE 91 HB3 PHE 91 10.474 7.426 3.819 713 HD1 PHE 91 HD1 PHE 91 7.431 5.254 4.120 714 HD2 PHE 91 HD2 PHE 91 11.324 5.782 2.471 715 HE1 PHE 91 HE1 PHE 91 7.242 3.084 2.965 716 HE2 PHE 91 HE2 PHE 91 11.131 3.615 1.314 717 HZ PHE 91 HZ PHE 91 9.086 2.269 1.565 718 H ASN 92 H ASN 92 11.827 7.628 5.516 719 HA ASN 92 HA ASN 92 11.394 10.152 6.974 720 HB2 ASN 92 HB2 ASN 92 13.801 8.314 7.117 721 HB3 ASN 92 HB3 ASN 92 13.696 9.886 7.893 722 HD21 ASN 92 HD21 ASN 92 13.239 6.607 8.254 723 HD22 ASN 92 HD22 ASN 92 12.319 6.618 9.716 724 H ASN 93 H ASN 93 12.531 8.645 4.128 725 HA ASN 93 HA ASN 93 13.526 11.196 3.087 726 HB2 ASN 93 HB2 ASN 93 15.470 9.735 3.896 727 HB3 ASN 93 HB3 ASN 93 15.066 8.645 2.576 728 HD21 ASN 93 HD21 ASN 93 17.537 9.923 2.859 729 HD22 ASN 93 HD22 ASN 93 17.738 11.023 1.543 730 H ARG 94 H ARG 94 13.178 11.504 0.903 731 HA ARG 94 HA ARG 94 11.219 9.806 -0.350 732 HB2 ARG 94 HB2 ARG 94 12.432 12.449 -1.003 733 HB3 ARG 94 HB3 ARG 94 11.649 11.541 -2.288 734 HG2 ARG 94 HG2 ARG 94 9.974 12.931 -1.494 735 HG3 ARG 94 HG3 ARG 94 9.640 11.393 -0.703 736 HD2 ARG 94 HD2 ARG 94 9.394 13.062 0.949 737 HD3 ARG 94 HD3 ARG 94 10.925 12.266 1.279 738 HE ARG 94 HE ARG 94 11.573 14.414 -0.294 739 HH11 ARG 94 HH11 ARG 94 9.978 14.034 2.816 740 HH12 ARG 94 HH12 ARG 94 10.486 15.587 3.392 741 HH21 ARG 94 HH21 ARG 94 12.222 16.438 0.483 742 HH22 ARG 94 HH22 ARG 94 11.757 16.945 2.072 743 H THR 95 H THR 95 14.629 10.032 -0.448 744 HA THR 95 HA THR 95 15.005 9.057 -3.124 745 HB THR 95 HB THR 95 17.383 8.857 -2.516 746 HG1 THR 95 HG1 THR 95 17.430 9.907 -0.087 747 HG21 THR 95 HG21 THR 95 16.564 11.094 -3.120 748 HG22 THR 95 HG22 THR 95 17.842 11.194 -1.907 749 HG23 THR 95 HG23 THR 95 16.157 11.403 -1.430 750 H VAL 96 H VAL 96 14.355 7.591 -0.058 751 HA VAL 96 HA VAL 96 15.242 4.942 -0.852 752 HB VAL 96 HB VAL 96 13.593 5.815 1.550 753 HG11 VAL 96 HG11 VAL 96 14.865 3.116 1.113 754 HG12 VAL 96 HG12 VAL 96 13.165 3.450 0.810 755 HG13 VAL 96 HG13 VAL 96 13.813 3.607 2.441 756 HG21 VAL 96 HG21 VAL 96 16.459 4.879 1.451 757 HG22 VAL 96 HG22 VAL 96 15.580 5.459 2.867 758 HG23 VAL 96 HG23 VAL 96 15.962 6.566 1.547 759 H MET 97 H MET 97 12.020 6.321 -0.009 760 HA MET 97 HA MET 97 10.386 4.263 -0.825 761 HB2 MET 97 HB2 MET 97 8.572 5.837 -0.996 762 HB3 MET 97 HB3 MET 97 9.607 6.323 0.332 763 HG2 MET 97 HG2 MET 97 10.577 8.047 -0.982 764 HG3 MET 97 HG3 MET 97 9.658 7.560 -2.400 765 HE1 MET 97 HE1 MET 97 9.705 9.438 0.967 766 HE2 MET 97 HE2 MET 97 8.628 8.132 1.463 767 HE3 MET 97 HE3 MET 97 8.006 9.774 1.301 768 H ASP 98 H ASP 98 11.749 6.783 -2.914 769 HA ASP 98 HA ASP 98 10.369 5.968 -5.273 770 HB2 ASP 98 HB2 ASP 98 12.848 7.644 -4.798 771 HB3 ASP 98 HB3 ASP 98 12.229 7.324 -6.411 772 H ASN 99 H ASN 99 13.284 4.854 -3.728 773 HA ASN 99 HA ASN 99 14.147 3.295 -6.030 774 HB2 ASN 99 HB2 ASN 99 15.266 4.026 -3.389 775 HB3 ASN 99 HB3 ASN 99 15.719 2.432 -3.971 776 HD21 ASN 99 HD21 ASN 99 16.642 5.553 -3.901 777 HD22 ASN 99 HD22 ASN 99 17.620 5.614 -5.325 778 H ILE 100 H ILE 100 12.465 2.724 -2.941 779 HA ILE 100 HA ILE 100 12.357 -0.130 -3.209 780 HB ILE 100 HB ILE 100 10.506 1.720 -1.657 781 HG12 ILE 100 HG12 ILE 100 12.778 1.783 -0.754 782 HG13 ILE 100 HG13 ILE 100 11.697 1.001 0.365 783 HG21 ILE 100 HG21 ILE 100 9.517 -0.531 -2.246 784 HG22 ILE 100 HG22 ILE 100 9.559 -0.123 -0.534 785 HG23 ILE 100 HG23 ILE 100 10.745 -1.244 -1.200 786 HD11 ILE 100 HD11 ILE 100 13.732 -0.345 -1.402 787 HD12 ILE 100 HD12 ILE 100 12.612 -1.178 -0.326 788 HD13 ILE 100 HD13 ILE 100 13.838 -0.098 0.343 789 H LYS 101 H LYS 101 9.939 2.436 -3.811 790 HA LYS 101 HA LYS 101 7.970 1.077 -5.155 791 HB2 LYS 101 HB2 LYS 101 7.826 3.414 -4.456 792 HB3 LYS 101 HB3 LYS 101 9.005 3.860 -5.679 793 HG2 LYS 101 HG2 LYS 101 7.413 3.093 -7.423 794 HG3 LYS 101 HG3 LYS 101 6.235 2.791 -6.147 795 HD2 LYS 101 HD2 LYS 101 6.146 5.122 -5.585 796 HD3 LYS 101 HD3 LYS 101 7.511 5.472 -6.643 797 HE2 LYS 101 HE2 LYS 101 6.151 4.859 -8.590 798 HE3 LYS 101 HE3 LYS 101 4.780 4.540 -7.527 799 HZ1 LYS 101 HZ1 LYS 101 4.637 6.733 -8.529 800 HZ2 LYS 101 HZ2 LYS 101 6.132 7.164 -7.870 801 HZ3 LYS 101 HZ3 LYS 101 4.816 6.862 -6.852 802 H MET 102 H MET 102 10.918 2.485 -6.555 803 HA MET 102 HA MET 102 10.540 1.931 -9.248 804 HB2 MET 102 HB2 MET 102 12.376 3.266 -8.343 805 HB3 MET 102 HB3 MET 102 13.085 1.847 -7.630 806 HG2 MET 102 HG2 MET 102 13.390 0.940 -9.946 807 HG3 MET 102 HG3 MET 102 12.841 2.506 -10.539 808 HE1 MET 102 HE1 MET 102 14.213 4.811 -10.207 809 HE2 MET 102 HE2 MET 102 15.663 4.908 -9.210 810 HE3 MET 102 HE3 MET 102 14.109 4.528 -8.470 811 H THR 103 H THR 103 12.191 -0.185 -6.861 812 HA THR 103 HA THR 103 12.526 -2.421 -8.515 813 HB THR 103 HB THR 103 12.168 -2.306 -5.507 814 HG1 THR 103 HG1 THR 103 14.629 -2.762 -5.986 815 HG21 THR 103 HG21 THR 103 13.273 -4.486 -5.410 816 HG22 THR 103 HG22 THR 103 13.354 -4.543 -7.172 817 HG23 THR 103 HG23 THR 103 11.791 -4.606 -6.359 818 H LEU 104 H LEU 104 9.993 -1.951 -6.020 819 HA LEU 104 HA LEU 104 8.259 -3.989 -6.435 820 HB2 LEU 104 HB2 LEU 104 7.595 -1.067 -5.976 821 HB3 LEU 104 HB3 LEU 104 6.438 -2.355 -5.774 822 HG LEU 104 HG LEU 104 8.965 -2.113 -4.151 823 HD11 LEU 104 HD11 LEU 104 7.062 -1.530 -2.384 824 HD12 LEU 104 HD12 LEU 104 6.288 -0.872 -3.828 825 HD13 LEU 104 HD13 LEU 104 7.874 -0.293 -3.329 826 HD21 LEU 104 HD21 LEU 104 6.490 -3.575 -3.344 827 HD22 LEU 104 HD22 LEU 104 8.153 -3.791 -2.788 828 HD23 LEU 104 HD23 LEU 104 7.682 -4.355 -4.390 829 H GLN 105 H GLN 105 7.996 -0.837 -8.036 830 HA GLN 105 HA GLN 105 5.978 -1.278 -9.862 831 HB2 GLN 105 HB2 GLN 105 7.054 0.902 -9.392 832 HB3 GLN 105 HB3 GLN 105 8.454 0.408 -10.320 833 HG2 GLN 105 HG2 GLN 105 7.124 0.297 -12.344 834 HG3 GLN 105 HG3 GLN 105 5.668 0.660 -11.429 835 HE21 GLN 105 HE21 GLN 105 5.849 2.274 -13.357 836 HE22 GLN 105 HE22 GLN 105 6.515 3.816 -12.949 837 H GLN 106 H GLN 106 9.333 -2.249 -10.163 838 HA GLN 106 HA GLN 106 9.112 -3.039 -12.933 839 HB2 GLN 106 HB2 GLN 106 11.286 -3.350 -10.856 840 HB3 GLN 106 HB3 GLN 106 11.427 -3.991 -12.483 841 HG2 GLN 106 HG2 GLN 106 11.020 -1.104 -11.793 842 HG3 GLN 106 HG3 GLN 106 12.562 -1.819 -12.231 843 HE21 GLN 106 HE21 GLN 106 10.512 0.209 -13.402 844 HE22 GLN 106 HE22 GLN 106 10.449 -0.231 -15.072 845 H ILE 107 H ILE 107 8.531 -4.468 -9.871 846 HA ILE 107 HA ILE 107 8.663 -7.215 -10.734 847 HB ILE 107 HB ILE 107 7.641 -5.943 -8.174 848 HG12 ILE 107 HG12 ILE 107 10.136 -7.591 -8.683 849 HG13 ILE 107 HG13 ILE 107 10.104 -5.848 -8.615 850 HG21 ILE 107 HG21 ILE 107 7.946 -8.883 -8.791 851 HG22 ILE 107 HG22 ILE 107 6.429 -8.012 -8.568 852 HG23 ILE 107 HG23 ILE 107 7.547 -8.187 -7.217 853 HD11 ILE 107 HD11 ILE 107 9.353 -7.611 -6.304 854 HD12 ILE 107 HD12 ILE 107 9.576 -5.862 -6.289 855 HD13 ILE 107 HD13 ILE 107 10.957 -6.927 -6.557 856 H ILE 108 H ILE 108 6.047 -4.849 -10.125 857 HA ILE 108 HA ILE 108 3.928 -6.746 -10.495 858 HB ILE 108 HB ILE 108 3.709 -3.723 -10.649 859 HG12 ILE 108 HG12 ILE 108 3.046 -5.397 -8.256 860 HG13 ILE 108 HG13 ILE 108 4.688 -4.868 -8.518 861 HG21 ILE 108 HG21 ILE 108 1.766 -4.965 -11.572 862 HG22 ILE 108 HG22 ILE 108 1.351 -4.073 -10.104 863 HG23 ILE 108 HG23 ILE 108 1.611 -5.822 -10.035 864 HD11 ILE 108 HD11 ILE 108 2.343 -3.013 -8.308 865 HD12 ILE 108 HD12 ILE 108 4.051 -2.581 -8.366 866 HD13 ILE 108 HD13 ILE 108 3.407 -3.441 -6.972 867 H SER 109 H SER 109 5.548 -4.428 -12.571 868 HA SER 109 HA SER 109 3.902 -4.646 -14.853 869 HB2 SER 109 HB2 SER 109 5.739 -3.661 -16.087 870 HB3 SER 109 HB3 SER 109 5.626 -2.887 -14.507 871 HG SER 109 HG SER 109 7.325 -5.095 -14.805 872 H ARG 110 H ARG 110 6.157 -6.867 -13.497 873 HA ARG 110 HA ARG 110 6.445 -8.537 -15.836 874 HB2 ARG 110 HB2 ARG 110 8.146 -8.576 -14.058 875 HB3 ARG 110 HB3 ARG 110 6.947 -9.147 -12.910 876 HG2 ARG 110 HG2 ARG 110 8.341 -10.962 -13.639 877 HG3 ARG 110 HG3 ARG 110 6.695 -11.208 -14.209 878 HD2 ARG 110 HD2 ARG 110 7.336 -10.338 -16.411 879 HD3 ARG 110 HD3 ARG 110 8.992 -10.121 -15.839 880 HE ARG 110 HE ARG 110 8.422 -12.762 -15.379 881 HH11 ARG 110 HH11 ARG 110 8.437 -10.725 -18.244 882 HH12 ARG 110 HH12 ARG 110 8.836 -12.032 -19.307 883 HH21 ARG 110 HH21 ARG 110 8.945 -14.452 -16.791 884 HH22 ARG 110 HH22 ARG 110 9.124 -14.137 -18.485 885 H TYR 111 H TYR 111 4.496 -8.579 -12.879 886 HA TYR 111 HA TYR 111 2.907 -10.856 -13.701 887 HB2 TYR 111 HB2 TYR 111 2.477 -8.925 -11.413 888 HB3 TYR 111 HB3 TYR 111 1.600 -10.425 -11.675 889 HD1 TYR 111 HD1 TYR 111 4.481 -8.946 -10.180 890 HD2 TYR 111 HD2 TYR 111 2.960 -12.611 -11.726 891 HE1 TYR 111 HE1 TYR 111 6.203 -10.184 -8.941 892 HE2 TYR 111 HE2 TYR 111 4.681 -13.853 -10.493 893 HH TYR 111 HH TYR 111 6.913 -13.436 -9.541 894 H LYS 112 H LYS 112 3.010 -7.798 -14.774 895 HA LYS 112 HA LYS 112 0.147 -7.303 -15.043 896 HB2 LYS 112 HB2 LYS 112 2.661 -5.747 -15.461 897 HB3 LYS 112 HB3 LYS 112 1.193 -5.223 -16.270 898 HG2 LYS 112 HG2 LYS 112 0.875 -5.752 -13.405 899 HG3 LYS 112 HG3 LYS 112 2.002 -4.464 -13.781 900 HD2 LYS 112 HD2 LYS 112 0.208 -3.424 -15.210 901 HD3 LYS 112 HD3 LYS 112 -0.902 -4.646 -14.592 902 HE2 LYS 112 HE2 LYS 112 -1.163 -2.545 -13.376 903 HE3 LYS 112 HE3 LYS 112 -0.550 -3.810 -12.311 904 HZ1 LYS 112 HZ1 LYS 112 1.007 -1.608 -13.534 905 HZ2 LYS 112 HZ2 LYS 112 1.699 -2.892 -12.682 906 HZ3 LYS 112 HZ3 LYS 112 0.655 -1.820 -11.895 907 H ASP 113 H ASP 113 2.958 -8.253 -16.885 908 HA ASP 113 HA ASP 113 1.568 -8.276 -19.431 909 HB2 ASP 113 HB2 ASP 113 4.374 -8.932 -18.547 910 HB3 ASP 113 HB3 ASP 113 3.812 -9.233 -20.178 911 H ALA 114 H ALA 114 2.657 -10.505 -16.936 912 HA ALA 114 HA ALA 114 2.417 -12.708 -16.553 913 HB1 ALA 114 HB1 ALA 114 -0.090 -12.454 -18.208 914 HB2 ALA 114 HB2 ALA 114 0.055 -12.002 -16.508 915 HB3 ALA 114 HB3 ALA 114 0.259 -13.686 -16.993 916 H ASP 115 H ASP 115 4.225 -13.413 -17.598 917 HA ASP 115 HA ASP 115 3.784 -14.732 -20.197 918 HB2 ASP 115 HB2 ASP 115 5.409 -12.891 -20.328 919 HB3 ASP 115 HB3 ASP 115 6.384 -13.651 -19.077 920 H1 GLY 519 H1 GLY 519 -4.459 -5.174 29.208 921 H2 GLY 519 H2 GLY 519 -4.901 -4.616 30.742 922 H3 GLY 519 H3 GLY 519 -4.058 -3.601 29.683 923 HA2 GLY 519 HA2 GLY 519 -6.384 -2.983 29.757 924 HA3 GLY 519 HA3 GLY 519 -5.924 -3.561 28.163 925 H SER 520 H SER 520 -7.090 -5.132 27.266 926 HA SER 520 HA SER 520 -9.126 -6.457 28.917 927 HB2 SER 520 HB2 SER 520 -10.135 -5.268 27.107 928 HB3 SER 520 HB3 SER 520 -8.969 -5.910 25.948 929 HG SER 520 HG SER 520 -9.895 -7.964 26.250 930 HA PRO 521 HA PRO 521 -6.735 -10.234 28.488 931 HB2 PRO 521 HB2 PRO 521 -8.532 -11.988 29.528 932 HB3 PRO 521 HB3 PRO 521 -7.612 -10.857 30.518 933 HG2 PRO 521 HG2 PRO 521 -10.362 -10.638 29.563 934 HG3 PRO 521 HG3 PRO 521 -9.765 -10.282 31.041 935 HD2 PRO 521 HD2 PRO 521 -10.271 -8.449 29.296 936 HD3 PRO 521 HD3 PRO 521 -9.094 -8.272 30.414 937 H GLY 522 H GLY 522 -9.676 -9.656 26.809 938 HA2 GLY 522 HA2 GLY 522 -9.355 -12.116 25.208 939 HA3 GLY 522 HA3 GLY 522 -10.848 -11.199 25.351 940 H TYR 523 H TYR 523 -7.536 -11.048 24.108 941 HA TYR 523 HA TYR 523 -6.543 -10.000 22.366 942 HB2 TYR 523 HB2 TYR 523 -9.283 -10.053 21.076 943 HB3 TYR 523 HB3 TYR 523 -7.740 -9.878 20.249 944 HD1 TYR 523 HD1 TYR 523 -10.059 -12.215 21.829 945 HD2 TYR 523 HD2 TYR 523 -6.228 -11.807 20.018 946 HE1 TYR 523 HE1 TYR 523 -9.925 -14.657 21.574 947 HE2 TYR 523 HE2 TYR 523 -6.085 -14.249 19.761 948 HH TYR 523 HH TYR 523 -7.046 -16.267 20.773 949 HA PRO 524 HA PRO 524 -7.662 -5.692 23.650 950 HB2 PRO 524 HB2 PRO 524 -5.103 -4.737 23.501 951 HB3 PRO 524 HB3 PRO 524 -5.775 -5.507 24.943 952 HG2 PRO 524 HG2 PRO 524 -4.048 -6.681 22.875 953 HG3 PRO 524 HG3 PRO 524 -3.978 -6.896 24.492 954 HD2 PRO 524 HD2 PRO 524 -5.059 -8.691 22.975 955 HD3 PRO 524 HD3 PRO 524 -5.634 -8.424 24.480 956 H ASN 525 H ASN 525 -5.662 -6.798 20.953 957 HA ASN 525 HA ASN 525 -6.261 -4.339 19.458 958 HB2 ASN 525 HB2 ASN 525 -4.182 -6.487 18.984 959 HB3 ASN 525 HB3 ASN 525 -4.480 -5.156 17.879 960 HD21 ASN 525 HD21 ASN 525 -1.979 -5.692 19.105 961 HD22 ASN 525 HD22 ASN 525 -1.603 -4.364 20.145 962 H GLY 526 H GLY 526 -7.261 -4.370 17.476 963 HA2 GLY 526 HA2 GLY 526 -8.680 -6.862 16.805 964 HA3 GLY 526 HA3 GLY 526 -9.209 -5.243 16.375 965 H LEU 527 H LEU 527 -9.218 -7.141 14.456 966 HA LEU 527 HA LEU 527 -6.802 -6.720 12.863 967 HB2 LEU 527 HB2 LEU 527 -8.954 -8.812 12.651 968 HB3 LEU 527 HB3 LEU 527 -7.642 -8.646 11.507 969 HG LEU 527 HG LEU 527 -7.319 -9.362 14.434 970 HD11 LEU 527 HD11 LEU 527 -8.372 -11.157 13.195 971 HD12 LEU 527 HD12 LEU 527 -6.699 -11.581 13.560 972 HD13 LEU 527 HD13 LEU 527 -7.142 -11.045 11.939 973 HD21 LEU 527 HD21 LEU 527 -5.002 -9.860 13.856 974 HD22 LEU 527 HD22 LEU 527 -5.370 -8.166 13.528 975 HD23 LEU 527 HD23 LEU 527 -5.283 -9.325 12.201 976 H LEU 528 H LEU 528 -10.251 -6.743 12.647 977 HA LEU 528 HA LEU 528 -10.244 -5.273 10.132 978 HB2 LEU 528 HB2 LEU 528 -12.546 -6.380 11.752 979 HB3 LEU 528 HB3 LEU 528 -12.706 -5.602 10.192 980 HG LEU 528 HG LEU 528 -11.248 -8.206 10.689 981 HD11 LEU 528 HD11 LEU 528 -13.625 -8.530 10.986 982 HD12 LEU 528 HD12 LEU 528 -13.117 -9.235 9.451 983 HD13 LEU 528 HD13 LEU 528 -13.958 -7.686 9.474 984 HD21 LEU 528 HD21 LEU 528 -10.294 -7.011 8.827 985 HD22 LEU 528 HD22 LEU 528 -11.895 -6.735 8.142 986 HD23 LEU 528 HD23 LEU 528 -11.244 -8.371 8.229 987 H SER 529 H SER 529 -10.288 -4.695 13.402 988 HA SER 529 HA SER 529 -10.949 -1.870 12.992 989 HB2 SER 529 HB2 SER 529 -12.958 -2.961 13.980 990 HB3 SER 529 HB3 SER 529 -11.972 -3.490 15.340 991 HG SER 529 HG SER 529 -12.452 -1.632 16.181 992 H GLY 530 H GLY 530 -8.654 -1.657 12.938 993 HA2 GLY 530 HA2 GLY 530 -7.452 -1.425 15.582 994 HA3 GLY 530 HA3 GLY 530 -6.676 -2.551 14.478 995 H ASP 531 H ASP 531 -5.889 -1.687 12.419 996 HA ASP 531 HA ASP 531 -5.009 1.105 12.697 997 HB2 ASP 531 HB2 ASP 531 -3.522 -1.223 11.451 998 HB3 ASP 531 HB3 ASP 531 -2.950 0.438 11.499 999 H GLU 532 H GLU 532 -7.000 -0.816 10.977 1000 HA GLU 532 HA GLU 532 -6.547 0.449 8.385 1001 HB2 GLU 532 HB2 GLU 532 -8.119 -1.972 9.217 1002 HB3 GLU 532 HB3 GLU 532 -8.114 -1.334 7.596 1003 HG2 GLU 532 HG2 GLU 532 -5.670 -1.695 7.522 1004 HG3 GLU 532 HG3 GLU 532 -5.769 -2.436 9.114 1005 H ASP 533 H ASP 533 -8.079 1.347 10.928 1006 HA ASP 533 HA ASP 533 -10.733 1.864 9.835 1007 HB2 ASP 533 HB2 ASP 533 -9.520 2.288 12.569 1008 HB3 ASP 533 HB3 ASP 533 -11.126 2.870 12.147 1009 H PHE 534 H PHE 534 -7.808 3.630 10.782 1010 HA PHE 534 HA PHE 534 -9.054 6.141 9.925 1011 HB2 PHE 534 HB2 PHE 534 -6.544 5.682 11.549 1012 HB3 PHE 534 HB3 PHE 534 -7.105 7.262 11.029 1013 HD1 PHE 534 HD1 PHE 534 -7.363 4.678 13.497 1014 HD2 PHE 534 HD2 PHE 534 -9.327 8.105 11.909 1015 HE1 PHE 534 HE1 PHE 534 -8.729 4.835 15.538 1016 HE2 PHE 534 HE2 PHE 534 -10.691 8.272 13.951 1017 HZ PHE 534 HZ PHE 534 -10.392 6.637 15.767 1018 H SER 535 H SER 535 -7.151 3.765 8.623 1019 HA SER 535 HA SER 535 -5.612 5.507 6.889 1020 HB2 SER 535 HB2 SER 535 -4.757 3.437 5.888 1021 HB3 SER 535 HB3 SER 535 -4.572 3.407 7.636 1022 HG SER 535 HG SER 535 -6.476 2.047 6.040 1023 H SER 536 H SER 536 -8.718 4.138 6.953 1024 HA SER 536 HA SER 536 -9.177 3.883 4.139 1025 HB2 SER 536 HB2 SER 536 -11.532 3.612 4.750 1026 HB3 SER 536 HB3 SER 536 -10.510 2.642 5.805 1027 HG SER 536 HG SER 536 -12.294 4.376 6.549 1028 H ILE 537 H ILE 537 -9.651 6.426 6.515 1029 HA ILE 537 HA ILE 537 -10.733 8.271 4.566 1030 HB ILE 537 HB ILE 537 -10.691 9.929 6.406 1031 HG12 ILE 537 HG12 ILE 537 -9.551 7.713 8.132 1032 HG13 ILE 537 HG13 ILE 537 -8.627 9.073 7.517 1033 HG21 ILE 537 HG21 ILE 537 -11.934 7.319 7.274 1034 HG22 ILE 537 HG22 ILE 537 -12.678 8.534 6.234 1035 HG23 ILE 537 HG23 ILE 537 -12.326 8.914 7.921 1036 HD11 ILE 537 HD11 ILE 537 -10.347 10.531 8.783 1037 HD12 ILE 537 HD12 ILE 537 -9.105 9.678 9.709 1038 HD13 ILE 537 HD13 ILE 537 -10.747 9.038 9.633 1039 H ALA 538 H ALA 538 -7.667 7.210 5.550 1040 HA ALA 538 HA ALA 538 -6.301 9.583 4.620 1041 HB1 ALA 538 HB1 ALA 538 -4.311 8.623 5.410 1042 HB2 ALA 538 HB2 ALA 538 -4.994 7.000 5.386 1043 HB3 ALA 538 HB3 ALA 538 -5.544 8.170 6.585 1044 H ASP 539 H ASP 539 -7.885 7.327 3.064 1045 HA ASP 539 HA ASP 539 -6.034 6.919 0.854 1046 HB2 ASP 539 HB2 ASP 539 -8.684 5.814 1.601 1047 HB3 ASP 539 HB3 ASP 539 -8.275 5.854 -0.100 1048 H MET 540 H MET 540 -8.887 8.759 1.720 1049 HA MET 540 HA MET 540 -9.271 9.999 -0.821 1050 HB2 MET 540 HB2 MET 540 -10.191 10.723 1.950 1051 HB3 MET 540 HB3 MET 540 -10.600 11.667 0.522 1052 HG2 MET 540 HG2 MET 540 -11.277 8.762 0.955 1053 HG3 MET 540 HG3 MET 540 -12.390 10.117 1.137 1054 HE1 MET 540 HE1 MET 540 -13.468 11.415 -0.753 1055 HE2 MET 540 HE2 MET 540 -13.018 11.310 -2.457 1056 HE3 MET 540 HE3 MET 540 -11.894 12.003 -1.287 1057 H ASP 541 H ASP 541 -7.093 10.451 1.759 1058 HA ASP 541 HA ASP 541 -6.423 13.178 1.265 1059 HB2 ASP 541 HB2 ASP 541 -5.243 10.987 2.945 1060 HB3 ASP 541 HB3 ASP 541 -4.488 12.563 2.834 1061 H PHE 542 H PHE 542 -5.326 10.077 0.081 1062 HA PHE 542 HA PHE 542 -2.725 11.041 -0.756 1063 HB2 PHE 542 HB2 PHE 542 -4.019 8.483 -0.381 1064 HB3 PHE 542 HB3 PHE 542 -3.165 8.534 -1.916 1065 HD1 PHE 542 HD1 PHE 542 -2.464 9.750 1.557 1066 HD2 PHE 542 HD2 PHE 542 -1.117 7.567 -1.837 1067 HE1 PHE 542 HE1 PHE 542 -0.325 9.306 2.686 1068 HE2 PHE 542 HE2 PHE 542 1.021 7.135 -0.707 1069 HZ PHE 542 HZ PHE 542 1.409 7.986 1.556 1070 H SER 543 H SER 543 -5.851 10.552 -2.251 1071 HA SER 543 HA SER 543 -4.866 10.369 -4.942 1072 HB2 SER 543 HB2 SER 543 -7.262 10.461 -5.580 1073 HB3 SER 543 HB3 SER 543 -6.938 9.252 -4.343 1074 HG SER 543 HG SER 543 -8.298 10.255 -3.112 1075 H ALA 544 H ALA 544 -5.997 12.966 -2.895 1076 HA ALA 544 HA ALA 544 -5.948 14.893 -5.084 1077 HB1 ALA 544 HB1 ALA 544 -7.707 15.063 -3.383 1078 HB2 ALA 544 HB2 ALA 544 -6.701 16.510 -3.420 1079 HB3 ALA 544 HB3 ALA 544 -6.480 15.314 -2.142 1080 H LEU 545 H LEU 545 -3.730 13.469 -3.066 1081 HA LEU 545 HA LEU 545 -2.037 15.778 -2.614 1082 HB2 LEU 545 HB2 LEU 545 -2.259 14.103 -0.870 1083 HB3 LEU 545 HB3 LEU 545 -1.686 12.857 -1.954 1084 HG LEU 545 HG LEU 545 0.483 14.304 -2.040 1085 HD11 LEU 545 HD11 LEU 545 0.947 15.453 0.092 1086 HD12 LEU 545 HD12 LEU 545 -0.749 15.258 0.539 1087 HD13 LEU 545 HD13 LEU 545 -0.310 16.247 -0.853 1088 HD21 LEU 545 HD21 LEU 545 1.329 13.131 -0.034 1089 HD22 LEU 545 HD22 LEU 545 0.452 12.087 -1.150 1090 HD23 LEU 545 HD23 LEU 545 -0.325 12.647 0.333 1091 H LEU 546 H LEU 546 -2.233 13.083 -4.857 1092 HA LEU 546 HA LEU 546 0.429 13.566 -5.945 1093 HB2 LEU 546 HB2 LEU 546 -0.327 11.278 -5.908 1094 HB3 LEU 546 HB3 LEU 546 -1.790 11.693 -6.766 1095 HG LEU 546 HG LEU 546 -0.283 12.359 -8.703 1096 HD11 LEU 546 HD11 LEU 546 1.915 11.247 -8.738 1097 HD12 LEU 546 HD12 LEU 546 1.692 10.789 -7.051 1098 HD13 LEU 546 HD13 LEU 546 1.812 12.491 -7.494 1099 HD21 LEU 546 HD21 LEU 546 -0.327 9.462 -7.847 1100 HD22 LEU 546 HD22 LEU 546 -0.103 10.046 -9.495 1101 HD23 LEU 546 HD23 LEU 546 -1.636 10.303 -8.666 1102 H SER 547 H SER 547 -2.883 14.270 -6.654 1103 HA SER 547 HA SER 547 -2.326 15.435 -9.254 1104 HB2 SER 547 HB2 SER 547 -4.743 15.938 -9.305 1105 HB3 SER 547 HB3 SER 547 -4.442 14.246 -8.914 1106 HG SER 547 HG SER 547 -6.040 15.354 -7.576 1107 H GLN 548 H GLN 548 -3.332 16.611 -6.041 1108 HA GLN 548 HA GLN 548 -3.344 18.627 -5.030 1109 HB2 GLN 548 HB2 GLN 548 -0.879 18.987 -6.739 1110 HB3 GLN 548 HB3 GLN 548 -1.354 20.088 -5.459 1111 HG2 GLN 548 HG2 GLN 548 -1.177 18.242 -3.831 1112 HG3 GLN 548 HG3 GLN 548 -0.651 17.180 -5.134 1113 HE21 GLN 548 HE21 GLN 548 1.027 17.275 -3.086 1114 HE22 GLN 548 HE22 GLN 548 2.412 18.249 -3.426 1115 H ILE 549 H ILE 549 -5.109 19.738 -5.502 1116 HA ILE 549 HA ILE 549 -5.305 21.191 -8.028 1117 HB ILE 549 HB ILE 549 -7.438 20.759 -5.923 1118 HG12 ILE 549 HG12 ILE 549 -7.239 19.523 -8.691 1119 HG13 ILE 549 HG13 ILE 549 -6.746 18.699 -7.218 1120 HG21 ILE 549 HG21 ILE 549 -7.602 22.049 -8.648 1121 HG22 ILE 549 HG22 ILE 549 -7.789 22.848 -7.087 1122 HG23 ILE 549 HG23 ILE 549 -8.986 21.669 -7.622 1123 HD11 ILE 549 HD11 ILE 549 -8.944 17.968 -7.938 1124 HD12 ILE 549 HD12 ILE 549 -9.535 19.629 -7.882 1125 HD13 ILE 549 HD13 ILE 549 -9.050 18.814 -6.394 1126 H SER 550 H SER 550 -4.589 23.172 -8.123 1127 HA SER 550 HA SER 550 -4.930 24.955 -5.801 1128 HB2 SER 550 HB2 SER 550 -2.555 24.397 -6.127 1129 HB3 SER 550 HB3 SER 550 -2.647 24.962 -7.795 1130 HG SER 550 HG SER 550 -3.471 26.731 -5.812 1131 H SER 551 H SER 551 -5.918 26.839 -6.130 1132 HA SER 551 HA SER 551 -7.235 28.417 -7.067 1133 HB2 SER 551 HB2 SER 551 -5.057 28.388 -9.169 1134 HB3 SER 551 HB3 SER 551 -6.285 29.640 -9.027 1135 HG SER 551 HG SER 551 -5.188 29.334 -6.642 Start of MODEL 7 1 H2 PRO 1 H2 PRO 1 18.654 1.159 -7.856 2 H3 PRO 1 H1 PRO 1 19.956 0.756 -6.958 3 HA PRO 1 HA PRO 1 17.466 -0.191 -6.789 4 HB2 PRO 1 HB2 PRO 1 19.180 -2.574 -7.332 5 HB3 PRO 1 HB3 PRO 1 17.421 -2.383 -7.504 6 HG2 PRO 1 HG2 PRO 1 18.796 -2.271 -9.649 7 HG3 PRO 1 HG3 PRO 1 17.736 -1.051 -9.416 8 HD2 PRO 1 HD2 PRO 1 20.722 -0.852 -8.475 9 HD3 PRO 1 HD3 PRO 1 20.081 0.217 -9.530 10 H SER 2 H SER 2 17.199 -0.593 -4.687 11 HA SER 2 HA SER 2 19.570 -1.266 -3.071 12 HB2 SER 2 HB2 SER 2 18.572 0.086 -1.232 13 HB3 SER 2 HB3 SER 2 18.985 1.051 -2.648 14 HG SER 2 HG SER 2 16.983 1.662 -2.616 15 H HIS 3 H HIS 3 16.062 -1.543 -3.406 16 HA HIS 3 HA HIS 3 14.556 -3.136 -2.851 17 HB2 HIS 3 HB2 HIS 3 16.933 -4.830 -2.123 18 HB3 HIS 3 HB3 HIS 3 15.299 -5.416 -2.198 19 HD1 HIS 3 HD1 HIS 3 18.243 -4.627 -4.280 20 HD2 HIS 3 HD2 HIS 3 14.246 -5.614 -4.851 21 HE1 HIS 3 HE1 HIS 3 18.049 -5.264 -6.704 22 HE2 HIS 3 HE2 HIS 3 15.626 -5.874 -7.023 23 H SER 4 H SER 4 16.941 -2.344 -0.439 24 HA SER 4 HA SER 4 14.878 -2.585 1.625 25 HB2 SER 4 HB2 SER 4 16.323 -4.542 1.866 26 HB3 SER 4 HB3 SER 4 17.744 -3.504 1.919 27 HG SER 4 HG SER 4 15.805 -2.862 3.761 28 H GLY 5 H GLY 5 14.888 -1.072 3.213 29 HA2 GLY 5 HA2 GLY 5 17.029 0.882 3.387 30 HA3 GLY 5 HA3 GLY 5 15.488 1.493 2.816 31 H ALA 6 H ALA 6 14.246 2.356 4.316 32 HA ALA 6 HA ALA 6 13.919 1.018 6.886 33 HB1 ALA 6 HB1 ALA 6 14.197 3.037 8.189 34 HB2 ALA 6 HB2 ALA 6 14.592 3.956 6.733 35 HB3 ALA 6 HB3 ALA 6 15.676 2.680 7.297 36 H ALA 7 H ALA 7 11.804 0.941 7.419 37 HA ALA 7 HA ALA 7 9.975 3.011 6.453 38 HB1 ALA 7 HB1 ALA 7 9.919 1.354 4.701 39 HB2 ALA 7 HB2 ALA 7 8.396 1.334 5.591 40 HB3 ALA 7 HB3 ALA 7 9.599 0.084 5.879 41 H ILE 8 H ILE 8 8.000 3.153 7.575 42 HA ILE 8 HA ILE 8 7.841 1.650 10.112 43 HB ILE 8 HB ILE 8 6.735 4.398 9.450 44 HG12 ILE 8 HG12 ILE 8 8.851 3.625 11.466 45 HG13 ILE 8 HG13 ILE 8 9.195 4.264 9.873 46 HG21 ILE 8 HG21 ILE 8 5.988 4.536 11.780 47 HG22 ILE 8 HG22 ILE 8 6.515 2.875 12.053 48 HG23 ILE 8 HG23 ILE 8 5.192 3.208 10.935 49 HD11 ILE 8 HD11 ILE 8 8.161 6.363 10.457 50 HD12 ILE 8 HD12 ILE 8 9.382 5.941 11.659 51 HD13 ILE 8 HD13 ILE 8 7.670 5.715 12.022 52 H PHE 9 H PHE 9 5.960 0.592 10.624 53 HA PHE 9 HA PHE 9 3.652 0.767 8.836 54 HB2 PHE 9 HB2 PHE 9 5.147 -1.034 7.956 55 HB3 PHE 9 HB3 PHE 9 4.994 -1.878 9.486 56 HD1 PHE 9 HD1 PHE 9 3.137 -0.745 6.488 57 HD2 PHE 9 HD2 PHE 9 3.131 -3.268 9.920 58 HE1 PHE 9 HE1 PHE 9 1.157 -1.911 5.623 59 HE2 PHE 9 HE2 PHE 9 1.150 -4.441 9.056 60 HZ PHE 9 HZ PHE 9 0.157 -3.762 6.905 61 H GLU 10 H GLU 10 1.978 1.095 10.083 62 HA GLU 10 HA GLU 10 0.540 1.184 11.840 63 HB2 GLU 10 HB2 GLU 10 1.693 -1.534 12.470 64 HB3 GLU 10 HB3 GLU 10 0.259 -0.864 13.228 65 HG2 GLU 10 HG2 GLU 10 -0.866 -0.800 11.075 66 HG3 GLU 10 HG3 GLU 10 0.580 -1.427 10.286 67 H LYS 11 H LYS 11 2.784 2.602 12.164 68 HA LYS 11 HA LYS 11 3.691 4.010 13.660 69 HB2 LYS 11 HB2 LYS 11 1.902 2.624 15.664 70 HB3 LYS 11 HB3 LYS 11 2.828 4.068 15.977 71 HG2 LYS 11 HG2 LYS 11 1.550 5.291 14.307 72 HG3 LYS 11 HG3 LYS 11 0.632 3.833 13.947 73 HD2 LYS 11 HD2 LYS 11 0.679 5.124 16.667 74 HD3 LYS 11 HD3 LYS 11 -0.517 5.524 15.432 75 HE2 LYS 11 HE2 LYS 11 -0.006 2.777 16.545 76 HE3 LYS 11 HE3 LYS 11 -1.334 3.832 17.041 77 HZ1 LYS 11 HZ1 LYS 11 -2.061 2.192 15.419 78 HZ2 LYS 11 HZ2 LYS 11 -0.909 2.737 14.308 79 HZ3 LYS 11 HZ3 LYS 11 -2.181 3.750 14.770 80 H VAL 12 H VAL 12 4.239 0.717 13.844 81 HA VAL 12 HA VAL 12 6.466 1.018 15.717 82 HB VAL 12 HB VAL 12 5.566 -1.506 14.293 83 HG11 VAL 12 HG11 VAL 12 7.831 -1.743 14.940 84 HG12 VAL 12 HG12 VAL 12 6.844 -2.669 16.067 85 HG13 VAL 12 HG13 VAL 12 7.498 -1.105 16.549 86 HG21 VAL 12 HG21 VAL 12 4.925 -0.659 17.115 87 HG22 VAL 12 HG22 VAL 12 4.556 -2.228 16.399 88 HG23 VAL 12 HG23 VAL 12 3.783 -0.771 15.773 89 H SER 13 H SER 13 8.407 1.579 15.010 90 HA SER 13 HA SER 13 8.848 1.864 12.179 91 HB2 SER 13 HB2 SER 13 9.606 3.712 13.440 92 HB3 SER 13 HB3 SER 13 10.431 2.679 14.605 93 HG SER 13 HG SER 13 11.775 2.043 12.715 94 H GLY 14 H GLY 14 10.208 0.816 10.888 95 HA2 GLY 14 HA2 GLY 14 11.955 -1.253 11.957 96 HA3 GLY 14 HA3 GLY 14 10.602 -1.807 10.991 97 H ILE 15 H ILE 15 12.206 -2.727 9.638 98 HA ILE 15 HA ILE 15 13.315 -0.805 7.700 99 HB ILE 15 HB ILE 15 14.571 -3.294 8.859 100 HG12 ILE 15 HG12 ILE 15 15.757 -0.528 8.519 101 HG13 ILE 15 HG13 ILE 15 14.990 -1.111 9.981 102 HG21 ILE 15 HG21 ILE 15 14.885 -3.601 6.509 103 HG22 ILE 15 HG22 ILE 15 16.422 -3.100 7.218 104 HG23 ILE 15 HG23 ILE 15 15.448 -1.940 6.315 105 HD11 ILE 15 HD11 ILE 15 16.758 -2.861 10.135 106 HD12 ILE 15 HD12 ILE 15 17.338 -1.203 10.289 107 HD13 ILE 15 HD13 ILE 15 17.566 -2.076 8.776 108 H ILE 16 H ILE 16 12.941 -1.264 5.559 109 HA ILE 16 HA ILE 16 11.117 -3.493 5.017 110 HB ILE 16 HB ILE 16 10.405 -1.114 4.550 111 HG12 ILE 16 HG12 ILE 16 10.128 -2.370 1.919 112 HG13 ILE 16 HG13 ILE 16 9.847 -3.482 3.245 113 HG21 ILE 16 HG21 ILE 16 11.175 0.179 2.786 114 HG22 ILE 16 HG22 ILE 16 11.977 -1.185 1.999 115 HG23 ILE 16 HG23 ILE 16 12.671 -0.478 3.465 116 HD11 ILE 16 HD11 ILE 16 8.368 -0.923 2.676 117 HD12 ILE 16 HD12 ILE 16 8.169 -1.868 4.148 118 HD13 ILE 16 HD13 ILE 16 7.750 -2.573 2.591 119 H ALA 17 H ALA 17 11.562 -5.071 3.556 120 HA ALA 17 HA ALA 17 13.983 -4.858 1.908 121 HB1 ALA 17 HB1 ALA 17 14.593 -6.090 3.951 122 HB2 ALA 17 HB2 ALA 17 14.707 -7.097 2.507 123 HB3 ALA 17 HB3 ALA 17 13.332 -7.273 3.598 124 H ILE 18 H ILE 18 13.873 -5.848 -0.084 125 HA ILE 18 HA ILE 18 11.265 -6.995 -0.819 126 HB ILE 18 HB ILE 18 13.442 -5.814 -2.560 127 HG12 ILE 18 HG12 ILE 18 10.581 -4.952 -2.155 128 HG13 ILE 18 HG13 ILE 18 11.939 -4.246 -1.298 129 HG21 ILE 18 HG21 ILE 18 10.850 -7.046 -3.475 130 HG22 ILE 18 HG22 ILE 18 12.457 -7.739 -3.692 131 HG23 ILE 18 HG23 ILE 18 12.040 -6.225 -4.492 132 HD11 ILE 18 HD11 ILE 18 12.833 -3.726 -3.666 133 HD12 ILE 18 HD12 ILE 18 11.536 -2.737 -2.999 134 HD13 ILE 18 HD13 ILE 18 11.164 -4.003 -4.173 135 H ASN 19 H ASN 19 11.050 -9.034 -1.362 136 HA ASN 19 HA ASN 19 13.362 -10.820 -1.450 137 HB2 ASN 19 HB2 ASN 19 10.399 -11.383 -1.063 138 HB3 ASN 19 HB3 ASN 19 11.661 -12.600 -1.071 139 HD21 ASN 19 HD21 ASN 19 9.895 -12.245 1.078 140 HD22 ASN 19 HD22 ASN 19 10.800 -11.699 2.444 141 H GLU 20 H GLU 20 14.117 -11.020 -3.479 142 HA GLU 20 HA GLU 20 12.226 -11.883 -5.565 143 HB2 GLU 20 HB2 GLU 20 14.800 -10.348 -5.981 144 HB3 GLU 20 HB3 GLU 20 13.789 -10.973 -7.265 145 HG2 GLU 20 HG2 GLU 20 11.962 -9.475 -6.381 146 HG3 GLU 20 HG3 GLU 20 13.175 -8.762 -5.327 147 H ASP 21 H ASP 21 13.461 -13.249 -7.312 148 HA ASP 21 HA ASP 21 14.441 -15.235 -7.827 149 HB2 ASP 21 HB2 ASP 21 16.218 -14.710 -5.462 150 HB3 ASP 21 HB3 ASP 21 16.444 -16.005 -6.621 151 H VAL 22 H VAL 22 12.614 -14.691 -5.314 152 HA VAL 22 HA VAL 22 12.445 -17.427 -4.298 153 HB VAL 22 HB VAL 22 10.877 -16.475 -2.593 154 HG11 VAL 22 HG11 VAL 22 13.571 -15.129 -2.717 155 HG12 VAL 22 HG12 VAL 22 13.245 -16.747 -2.091 156 HG13 VAL 22 HG13 VAL 22 12.581 -15.334 -1.271 157 HG21 VAL 22 HG21 VAL 22 10.042 -14.511 -3.822 158 HG22 VAL 22 HG22 VAL 22 11.645 -13.779 -3.746 159 HG23 VAL 22 HG23 VAL 22 10.723 -14.042 -2.264 160 H SER 23 H SER 23 9.858 -17.793 -3.681 161 HA SER 23 HA SER 23 8.414 -17.970 -6.168 162 HB2 SER 23 HB2 SER 23 6.638 -18.932 -4.812 163 HB3 SER 23 HB3 SER 23 8.169 -19.573 -4.230 164 HG SER 23 HG SER 23 7.840 -18.646 -2.376 165 HA PRO 24 HA PRO 24 7.063 -14.548 -7.439 166 HB2 PRO 24 HB2 PRO 24 4.494 -14.037 -5.987 167 HB3 PRO 24 HB3 PRO 24 4.866 -13.854 -7.705 168 HG2 PRO 24 HG2 PRO 24 3.593 -15.966 -6.856 169 HG3 PRO 24 HG3 PRO 24 4.712 -16.113 -8.036 170 HD2 PRO 24 HD2 PRO 24 4.893 -16.968 -5.347 171 HD3 PRO 24 HD3 PRO 24 5.644 -17.592 -6.657 172 H ALA 25 H ALA 25 7.999 -12.693 -7.126 173 HA ALA 25 HA ALA 25 9.286 -12.082 -4.815 174 HB1 ALA 25 HB1 ALA 25 9.883 -9.937 -5.827 175 HB2 ALA 25 HB2 ALA 25 8.640 -10.181 -7.055 176 HB3 ALA 25 HB3 ALA 25 10.024 -11.272 -6.970 177 H GLU 26 H GLU 26 9.188 -10.742 -3.201 178 HA GLU 26 HA GLU 26 6.527 -9.726 -2.584 179 HB2 GLU 26 HB2 GLU 26 8.272 -10.993 -0.508 180 HB3 GLU 26 HB3 GLU 26 6.565 -10.731 -0.464 181 HG2 GLU 26 HG2 GLU 26 6.153 -12.540 -1.970 182 HG3 GLU 26 HG3 GLU 26 7.873 -12.719 -2.288 183 H LEU 27 H LEU 27 6.554 -8.340 -0.573 184 HA LEU 27 HA LEU 27 9.010 -6.755 -0.279 185 HB2 LEU 27 HB2 LEU 27 7.527 -5.476 -1.640 186 HB3 LEU 27 HB3 LEU 27 6.177 -5.794 -0.624 187 HG LEU 27 HG LEU 27 7.349 -4.357 1.112 188 HD11 LEU 27 HD11 LEU 27 9.567 -4.332 0.136 189 HD12 LEU 27 HD12 LEU 27 8.925 -2.714 0.403 190 HD13 LEU 27 HD13 LEU 27 8.946 -3.397 -1.224 191 HD21 LEU 27 HD21 LEU 27 5.410 -3.523 0.039 192 HD22 LEU 27 HD22 LEU 27 6.320 -3.121 -1.411 193 HD23 LEU 27 HD23 LEU 27 6.603 -2.228 0.084 194 H THR 28 H THR 28 9.733 -7.254 1.677 195 HA THR 28 HA THR 28 7.792 -8.024 3.743 196 HB THR 28 HB THR 28 10.706 -8.815 3.482 197 HG1 THR 28 HG1 THR 28 8.327 -10.356 3.149 198 HG21 THR 28 HG21 THR 28 10.223 -10.417 5.294 199 HG22 THR 28 HG22 THR 28 8.605 -9.733 5.461 200 HG23 THR 28 HG23 THR 28 10.026 -8.749 5.837 201 H TRP 29 H TRP 29 7.387 -6.395 5.075 202 HA TRP 29 HA TRP 29 9.504 -4.650 6.025 203 HB2 TRP 29 HB2 TRP 29 7.282 -3.659 5.661 204 HB3 TRP 29 HB3 TRP 29 6.573 -4.798 6.791 205 HD1 TRP 29 HD1 TRP 29 8.593 -1.570 6.674 206 HE1 TRP 29 HE1 TRP 29 8.718 -0.547 9.033 207 HE3 TRP 29 HE3 TRP 29 6.507 -5.406 9.349 208 HZ2 TRP 29 HZ2 TRP 29 8.015 -1.261 11.673 209 HZ3 TRP 29 HZ3 TRP 29 6.275 -5.148 11.783 210 HH2 TRP 29 HH2 TRP 29 7.017 -3.118 12.918 211 H ARG 30 H ARG 30 10.631 -4.952 7.810 212 HA ARG 30 HA ARG 30 9.604 -6.788 9.865 213 HB2 ARG 30 HB2 ARG 30 12.484 -6.471 9.002 214 HB3 ARG 30 HB3 ARG 30 11.930 -7.424 10.366 215 HG2 ARG 30 HG2 ARG 30 10.760 -8.927 8.931 216 HG3 ARG 30 HG3 ARG 30 11.116 -7.926 7.532 217 HD2 ARG 30 HD2 ARG 30 13.209 -9.196 9.245 218 HD3 ARG 30 HD3 ARG 30 12.551 -9.970 7.811 219 HE ARG 30 HE ARG 30 13.386 -7.466 7.012 220 HH11 ARG 30 HH11 ARG 30 14.945 -10.305 8.374 221 HH12 ARG 30 HH12 ARG 30 16.469 -9.967 7.623 222 HH21 ARG 30 HH21 ARG 30 15.388 -7.047 6.041 223 HH22 ARG 30 HH22 ARG 30 16.717 -8.124 6.305 224 H SER 31 H SER 31 10.277 -6.286 12.048 225 HA SER 31 HA SER 31 10.197 -3.512 12.637 226 HB2 SER 31 HB2 SER 31 10.386 -4.191 14.977 227 HB3 SER 31 HB3 SER 31 9.296 -5.280 14.122 228 HG SER 31 HG SER 31 10.768 -6.385 15.490 229 H THR 32 H THR 32 11.947 -2.472 14.167 230 HA THR 32 HA THR 32 14.314 -2.174 12.714 231 HB THR 32 HB THR 32 15.225 -1.277 15.034 232 HG1 THR 32 HG1 THR 32 13.132 -0.446 16.075 233 HG21 THR 32 HG21 THR 32 12.995 0.104 13.532 234 HG22 THR 32 HG22 THR 32 14.678 0.049 13.010 235 HG23 THR 32 HG23 THR 32 14.244 0.878 14.508 236 H ASP 33 H ASP 33 13.617 -4.422 15.323 237 HA ASP 33 HA ASP 33 16.283 -5.614 15.036 238 HB2 ASP 33 HB2 ASP 33 14.043 -6.265 16.972 239 HB3 ASP 33 HB3 ASP 33 15.629 -7.025 16.966 240 H GLY 34 H GLY 34 12.886 -6.152 14.385 241 HA2 GLY 34 HA2 GLY 34 12.208 -7.321 12.420 242 HA3 GLY 34 HA3 GLY 34 13.584 -8.393 12.602 243 H ASP 35 H ASP 35 11.816 -7.689 15.477 244 HA ASP 35 HA ASP 35 10.943 -10.381 15.825 245 HB2 ASP 35 HB2 ASP 35 9.920 -9.574 17.892 246 HB3 ASP 35 HB3 ASP 35 11.533 -8.895 17.714 247 H LYS 36 H LYS 36 9.413 -7.439 14.666 248 HA LYS 36 HA LYS 36 6.908 -8.892 14.132 249 HB2 LYS 36 HB2 LYS 36 7.533 -5.925 14.022 250 HB3 LYS 36 HB3 LYS 36 5.984 -6.637 13.620 251 HG2 LYS 36 HG2 LYS 36 5.773 -7.436 15.926 252 HG3 LYS 36 HG3 LYS 36 7.324 -6.681 16.310 253 HD2 LYS 36 HD2 LYS 36 6.390 -4.515 15.553 254 HD3 LYS 36 HD3 LYS 36 4.822 -5.304 15.357 255 HE2 LYS 36 HE2 LYS 36 4.868 -4.162 17.467 256 HE3 LYS 36 HE3 LYS 36 4.846 -5.898 17.747 257 HZ1 LYS 36 HZ1 LYS 36 7.250 -4.156 17.889 258 HZ2 LYS 36 HZ2 LYS 36 7.233 -5.828 18.151 259 HZ3 LYS 36 HZ3 LYS 36 6.415 -4.798 19.214 260 H VAL 37 H VAL 37 6.236 -9.244 12.017 261 HA VAL 37 HA VAL 37 7.814 -8.116 9.847 262 HB VAL 37 HB VAL 37 9.075 -10.113 10.484 263 HG11 VAL 37 HG11 VAL 37 7.340 -11.523 11.407 264 HG12 VAL 37 HG12 VAL 37 8.201 -12.379 10.128 265 HG13 VAL 37 HG13 VAL 37 6.603 -11.705 9.814 266 HG21 VAL 37 HG21 VAL 37 9.495 -10.912 8.341 267 HG22 VAL 37 HG22 VAL 37 8.795 -9.314 8.065 268 HG23 VAL 37 HG23 VAL 37 7.807 -10.758 7.849 269 H HIS 38 H HIS 38 6.698 -7.752 8.036 270 HA HIS 38 HA HIS 38 4.127 -9.117 7.573 271 HB2 HIS 38 HB2 HIS 38 4.729 -6.160 7.279 272 HB3 HIS 38 HB3 HIS 38 3.300 -6.928 6.601 273 HD1 HIS 38 HD1 HIS 38 1.763 -8.191 8.528 274 HD2 HIS 38 HD2 HIS 38 4.343 -5.184 9.780 275 HE1 HIS 38 HE1 HIS 38 0.922 -7.482 10.789 276 HE2 HIS 38 HE2 HIS 38 2.441 -5.595 11.483 277 H THR 39 H THR 39 3.625 -9.496 5.342 278 HA THR 39 HA THR 39 5.868 -9.046 3.483 279 HB THR 39 HB THR 39 4.386 -11.651 3.902 280 HG1 THR 39 HG1 THR 39 6.624 -10.655 4.935 281 HG21 THR 39 HG21 THR 39 6.474 -10.967 1.821 282 HG22 THR 39 HG22 THR 39 4.777 -11.331 1.506 283 HG23 THR 39 HG23 THR 39 5.844 -12.583 2.144 284 H VAL 40 H VAL 40 5.323 -8.137 1.627 285 HA VAL 40 HA VAL 40 2.541 -8.319 0.651 286 HB VAL 40 HB VAL 40 4.670 -6.256 0.051 287 HG11 VAL 40 HG11 VAL 40 1.763 -5.862 -0.524 288 HG12 VAL 40 HG12 VAL 40 2.823 -6.614 -1.714 289 HG13 VAL 40 HG13 VAL 40 3.147 -4.968 -1.156 290 HG21 VAL 40 HG21 VAL 40 2.321 -6.087 1.890 291 HG22 VAL 40 HG22 VAL 40 3.307 -4.715 1.386 292 HG23 VAL 40 HG23 VAL 40 4.032 -6.024 2.318 293 H VAL 41 H VAL 41 2.476 -10.012 -0.806 294 HA VAL 41 HA VAL 41 4.661 -10.548 -2.621 295 HB VAL 41 HB VAL 41 1.856 -11.758 -2.553 296 HG11 VAL 41 HG11 VAL 41 4.352 -12.697 -3.992 297 HG12 VAL 41 HG12 VAL 41 2.900 -12.040 -4.746 298 HG13 VAL 41 HG13 VAL 41 2.831 -13.584 -3.894 299 HG21 VAL 41 HG21 VAL 41 4.482 -12.772 -1.432 300 HG22 VAL 41 HG22 VAL 41 2.972 -13.690 -1.481 301 HG23 VAL 41 HG23 VAL 41 3.084 -12.228 -0.500 302 H LEU 42 H LEU 42 4.889 -9.550 -4.581 303 HA LEU 42 HA LEU 42 3.058 -7.445 -5.187 304 HB2 LEU 42 HB2 LEU 42 5.580 -8.325 -6.574 305 HB3 LEU 42 HB3 LEU 42 4.584 -7.042 -7.198 306 HG LEU 42 HG LEU 42 6.389 -6.009 -6.071 307 HD11 LEU 42 HD11 LEU 42 5.344 -4.652 -4.452 308 HD12 LEU 42 HD12 LEU 42 4.163 -5.894 -4.073 309 HD13 LEU 42 HD13 LEU 42 4.110 -5.075 -5.634 310 HD21 LEU 42 HD21 LEU 42 7.033 -6.447 -3.785 311 HD22 LEU 42 HD22 LEU 42 7.128 -7.926 -4.744 312 HD23 LEU 42 HD23 LEU 42 5.773 -7.670 -3.644 313 H SER 43 H SER 43 3.404 -10.667 -6.419 314 HA SER 43 HA SER 43 2.074 -10.279 -8.916 315 HB2 SER 43 HB2 SER 43 1.893 -12.693 -9.001 316 HB3 SER 43 HB3 SER 43 3.458 -12.280 -8.313 317 HG SER 43 HG SER 43 2.871 -13.559 -6.757 318 H THR 44 H THR 44 1.024 -9.837 -5.841 319 HA THR 44 HA THR 44 -1.808 -10.339 -6.488 320 HB THR 44 HB THR 44 -2.261 -10.457 -4.096 321 HG1 THR 44 HG1 THR 44 0.401 -9.618 -3.894 322 HG21 THR 44 HG21 THR 44 0.092 -12.200 -4.803 323 HG22 THR 44 HG22 THR 44 -1.598 -12.546 -5.182 324 HG23 THR 44 HG23 THR 44 -1.062 -12.506 -3.502 325 H ILE 45 H ILE 45 0.397 -7.989 -6.537 326 HA ILE 45 HA ILE 45 -1.301 -5.837 -5.437 327 HB ILE 45 HB ILE 45 1.676 -5.874 -6.007 328 HG12 ILE 45 HG12 ILE 45 1.137 -7.214 -4.038 329 HG13 ILE 45 HG13 ILE 45 1.985 -5.757 -3.563 330 HG21 ILE 45 HG21 ILE 45 0.203 -3.651 -4.611 331 HG22 ILE 45 HG22 ILE 45 0.608 -3.630 -6.326 332 HG23 ILE 45 HG23 ILE 45 1.895 -3.687 -5.121 333 HD11 ILE 45 HD11 ILE 45 -0.993 -6.162 -3.327 334 HD12 ILE 45 HD12 ILE 45 -0.067 -4.786 -2.727 335 HD13 ILE 45 HD13 ILE 45 0.165 -6.385 -2.024 336 H ASP 46 H ASP 46 -1.834 -4.081 -6.723 337 HA ASP 46 HA ASP 46 -1.385 -4.460 -9.606 338 HB2 ASP 46 HB2 ASP 46 -3.722 -4.719 -8.899 339 HB3 ASP 46 HB3 ASP 46 -3.704 -3.113 -8.203 340 H LYS 47 H LYS 47 -1.670 -1.899 -7.103 341 HA LYS 47 HA LYS 47 0.032 -0.198 -8.808 342 HB2 LYS 47 HB2 LYS 47 -2.427 0.715 -7.316 343 HB3 LYS 47 HB3 LYS 47 -1.251 1.811 -7.996 344 HG2 LYS 47 HG2 LYS 47 -1.769 1.008 -10.244 345 HG3 LYS 47 HG3 LYS 47 -2.936 -0.127 -9.563 346 HD2 LYS 47 HD2 LYS 47 -4.249 1.749 -8.680 347 HD3 LYS 47 HD3 LYS 47 -3.085 2.884 -9.360 348 HE2 LYS 47 HE2 LYS 47 -3.604 2.070 -11.603 349 HE3 LYS 47 HE3 LYS 47 -4.791 0.953 -10.935 350 HZ1 LYS 47 HZ1 LYS 47 -6.053 2.855 -10.116 351 HZ2 LYS 47 HZ2 LYS 47 -5.834 2.968 -11.790 352 HZ3 LYS 47 HZ3 LYS 47 -4.899 3.919 -10.748 353 H LEU 48 H LEU 48 0.763 1.818 -7.507 354 HA LEU 48 HA LEU 48 1.161 1.375 -4.656 355 HB2 LEU 48 HB2 LEU 48 3.739 2.081 -5.354 356 HB3 LEU 48 HB3 LEU 48 3.239 0.468 -4.909 357 HG LEU 48 HG LEU 48 2.833 0.050 -7.376 358 HD11 LEU 48 HD11 LEU 48 3.594 2.809 -7.513 359 HD12 LEU 48 HD12 LEU 48 3.049 1.740 -8.800 360 HD13 LEU 48 HD13 LEU 48 4.764 1.821 -8.385 361 HD21 LEU 48 HD21 LEU 48 4.741 -0.792 -6.063 362 HD22 LEU 48 HD22 LEU 48 5.642 0.658 -6.526 363 HD23 LEU 48 HD23 LEU 48 5.114 -0.487 -7.757 364 H GLN 49 H GLN 49 1.105 3.357 -3.627 365 HA GLN 49 HA GLN 49 1.558 5.769 -5.274 366 HB2 GLN 49 HB2 GLN 49 -0.666 5.371 -3.236 367 HB3 GLN 49 HB3 GLN 49 -0.280 6.896 -4.007 368 HG2 GLN 49 HG2 GLN 49 -0.819 5.944 -6.190 369 HG3 GLN 49 HG3 GLN 49 -1.223 4.405 -5.436 370 HE21 GLN 49 HE21 GLN 49 -2.125 6.839 -3.390 371 HE22 GLN 49 HE22 GLN 49 -3.781 7.007 -3.847 372 H ALA 50 H ALA 50 3.234 6.899 -4.519 373 HA ALA 50 HA ALA 50 3.848 6.815 -1.636 374 HB1 ALA 50 HB1 ALA 50 5.581 5.856 -3.037 375 HB2 ALA 50 HB2 ALA 50 6.159 7.327 -2.258 376 HB3 ALA 50 HB3 ALA 50 5.688 7.356 -3.958 377 H THR 51 H THR 51 4.511 8.719 -0.547 378 HA THR 51 HA THR 51 3.086 11.089 -1.248 379 HB THR 51 HB THR 51 4.241 12.145 0.702 380 HG1 THR 51 HG1 THR 51 6.026 11.215 1.342 381 HG21 THR 51 HG21 THR 51 2.815 9.498 1.031 382 HG22 THR 51 HG22 THR 51 2.174 11.131 1.245 383 HG23 THR 51 HG23 THR 51 3.310 10.465 2.420 384 HA PRO 52 HA PRO 52 6.228 12.944 -4.021 385 HB2 PRO 52 HB2 PRO 52 4.705 15.402 -3.357 386 HB3 PRO 52 HB3 PRO 52 5.157 14.755 -4.934 387 HG2 PRO 52 HG2 PRO 52 2.698 14.561 -4.024 388 HG3 PRO 52 HG3 PRO 52 3.345 13.385 -4.953 389 HD2 PRO 52 HD2 PRO 52 2.835 13.305 -2.141 390 HD3 PRO 52 HD3 PRO 52 2.829 12.055 -3.192 391 H ALA 53 H ALA 53 7.851 14.620 -3.874 392 HA ALA 53 HA ALA 53 8.963 14.964 -1.265 393 HB1 ALA 53 HB1 ALA 53 10.760 16.142 -2.389 394 HB2 ALA 53 HB2 ALA 53 9.795 16.259 -3.861 395 HB3 ALA 53 HB3 ALA 53 10.340 14.682 -3.287 396 H SER 54 H SER 54 6.621 16.680 -2.968 397 HA SER 54 HA SER 54 7.047 19.189 -1.537 398 HB2 SER 54 HB2 SER 54 5.265 20.075 -2.899 399 HB3 SER 54 HB3 SER 54 6.405 19.226 -3.933 400 HG SER 54 HG SER 54 4.872 17.896 -4.475 401 H SER 55 H SER 55 5.289 16.275 -1.293 402 HA SER 55 HA SER 55 3.044 17.164 0.188 403 HB2 SER 55 HB2 SER 55 2.890 15.113 -0.990 404 HB3 SER 55 HB3 SER 55 4.276 14.438 -0.134 405 HG SER 55 HG SER 55 2.498 15.261 1.660 406 H GLU 56 H GLU 56 2.666 17.335 2.306 407 HA GLU 56 HA GLU 56 4.708 17.732 4.201 408 HB2 GLU 56 HB2 GLU 56 1.852 17.043 4.810 409 HB3 GLU 56 HB3 GLU 56 2.950 17.983 5.807 410 HG2 GLU 56 HG2 GLU 56 1.459 19.515 4.821 411 HG3 GLU 56 HG3 GLU 56 2.979 19.680 3.944 412 H LYS 57 H LYS 57 3.366 14.904 3.024 413 HA LYS 57 HA LYS 57 3.633 13.347 5.457 414 HB2 LYS 57 HB2 LYS 57 2.419 12.765 2.779 415 HB3 LYS 57 HB3 LYS 57 2.454 11.652 4.109 416 HG2 LYS 57 HG2 LYS 57 1.177 13.383 5.413 417 HG3 LYS 57 HG3 LYS 57 0.964 14.224 3.895 418 HD2 LYS 57 HD2 LYS 57 -0.086 12.173 2.979 419 HD3 LYS 57 HD3 LYS 57 -0.027 11.482 4.602 420 HE2 LYS 57 HE2 LYS 57 -1.205 13.697 5.295 421 HE3 LYS 57 HE3 LYS 57 -1.588 13.799 3.572 422 HZ1 LYS 57 HZ1 LYS 57 -2.301 11.524 5.344 423 HZ2 LYS 57 HZ2 LYS 57 -2.693 11.671 3.706 424 HZ3 LYS 57 HZ3 LYS 57 -3.365 12.736 4.833 425 H MET 58 H MET 58 4.765 11.449 5.592 426 HA MET 58 HA MET 58 6.499 10.719 3.328 427 HB2 MET 58 HB2 MET 58 7.167 10.480 6.271 428 HB3 MET 58 HB3 MET 58 8.172 9.916 4.961 429 HG2 MET 58 HG2 MET 58 8.481 12.187 4.168 430 HG3 MET 58 HG3 MET 58 7.396 12.792 5.415 431 HE1 MET 58 HE1 MET 58 10.846 14.163 6.683 432 HE2 MET 58 HE2 MET 58 9.228 14.566 6.099 433 HE3 MET 58 HE3 MET 58 10.440 13.950 4.979 434 H MET 59 H MET 59 5.338 9.100 2.482 435 HA MET 59 HA MET 59 4.870 6.687 3.982 436 HB2 MET 59 HB2 MET 59 2.569 8.266 2.856 437 HB3 MET 59 HB3 MET 59 2.449 6.619 3.398 438 HG2 MET 59 HG2 MET 59 2.846 7.241 5.625 439 HG3 MET 59 HG3 MET 59 3.311 8.871 5.194 440 HE1 MET 59 HE1 MET 59 1.412 8.446 7.599 441 HE2 MET 59 HE2 MET 59 -0.085 9.324 7.302 442 HE3 MET 59 HE3 MET 59 1.477 10.106 7.007 443 H LEU 60 H LEU 60 4.240 4.902 2.688 444 HA LEU 60 HA LEU 60 4.293 5.264 -0.221 445 HB2 LEU 60 HB2 LEU 60 6.527 4.604 0.275 446 HB3 LEU 60 HB3 LEU 60 5.996 3.402 1.424 447 HG LEU 60 HG LEU 60 4.955 2.219 -0.631 448 HD11 LEU 60 HD11 LEU 60 7.034 3.851 -2.045 449 HD12 LEU 60 HD12 LEU 60 5.299 4.175 -2.105 450 HD13 LEU 60 HD13 LEU 60 5.927 2.650 -2.730 451 HD21 LEU 60 HD21 LEU 60 7.943 2.376 -0.314 452 HD22 LEU 60 HD22 LEU 60 7.063 1.121 -1.199 453 HD23 LEU 60 HD23 LEU 60 6.853 1.283 0.550 454 H ARG 61 H ARG 61 2.482 4.399 -1.024 455 HA ARG 61 HA ARG 61 1.027 2.450 0.605 456 HB2 ARG 61 HB2 ARG 61 0.052 4.227 -1.622 457 HB3 ARG 61 HB3 ARG 61 -0.948 3.073 -0.777 458 HG2 ARG 61 HG2 ARG 61 -0.594 4.298 1.310 459 HG3 ARG 61 HG3 ARG 61 0.393 5.467 0.442 460 HD2 ARG 61 HD2 ARG 61 -1.696 6.495 0.562 461 HD3 ARG 61 HD3 ARG 61 -1.666 5.800 -1.056 462 HE ARG 61 HE ARG 61 -3.362 4.365 -0.450 463 HH11 ARG 61 HH11 ARG 61 -2.173 5.965 2.442 464 HH12 ARG 61 HH12 ARG 61 -3.451 5.361 3.441 465 HH21 ARG 61 HH21 ARG 61 -5.025 3.582 0.880 466 HH22 ARG 61 HH22 ARG 61 -5.063 4.012 2.558 467 H LEU 62 H LEU 62 0.209 0.577 -0.197 468 HA LEU 62 HA LEU 62 1.112 -0.322 -2.854 469 HB2 LEU 62 HB2 LEU 62 1.406 -1.591 -0.162 470 HB3 LEU 62 HB3 LEU 62 1.179 -2.619 -1.556 471 HG LEU 62 HG LEU 62 3.509 -2.545 -0.993 472 HD11 LEU 62 HD11 LEU 62 4.466 -1.814 -3.091 473 HD12 LEU 62 HD12 LEU 62 2.995 -0.911 -3.454 474 HD13 LEU 62 HD13 LEU 62 2.943 -2.671 -3.336 475 HD21 LEU 62 HD21 LEU 62 4.866 -0.567 -0.973 476 HD22 LEU 62 HD22 LEU 62 3.540 -0.360 0.178 477 HD23 LEU 62 HD23 LEU 62 3.480 0.442 -1.388 478 H ILE 63 H ILE 63 -0.722 -0.506 -4.006 479 HA ILE 63 HA ILE 63 -3.268 -1.114 -2.720 480 HB ILE 63 HB ILE 63 -2.652 -0.432 -5.602 481 HG12 ILE 63 HG12 ILE 63 -4.005 1.375 -3.595 482 HG13 ILE 63 HG13 ILE 63 -2.299 1.475 -3.946 483 HG21 ILE 63 HG21 ILE 63 -4.709 -1.701 -5.479 484 HG22 ILE 63 HG22 ILE 63 -5.055 -0.019 -5.887 485 HG23 ILE 63 HG23 ILE 63 -5.331 -0.603 -4.246 486 HD11 ILE 63 HD11 ILE 63 -4.544 1.988 -5.869 487 HD12 ILE 63 HD12 ILE 63 -2.822 2.046 -6.263 488 HD13 ILE 63 HD13 ILE 63 -3.497 3.189 -5.105 489 H GLY 64 H GLY 64 -4.456 -2.961 -3.023 490 HA2 GLY 64 HA2 GLY 64 -2.984 -5.279 -3.974 491 HA3 GLY 64 HA3 GLY 64 -4.466 -5.300 -3.040 492 H LYS 65 H LYS 65 -4.107 -7.005 -5.151 493 HA LYS 65 HA LYS 65 -5.396 -5.942 -7.501 494 HB2 LYS 65 HB2 LYS 65 -3.591 -7.575 -7.707 495 HB3 LYS 65 HB3 LYS 65 -4.572 -8.758 -6.845 496 HG2 LYS 65 HG2 LYS 65 -6.231 -8.679 -8.606 497 HG3 LYS 65 HG3 LYS 65 -5.270 -7.486 -9.474 498 HD2 LYS 65 HD2 LYS 65 -3.434 -9.110 -9.624 499 HD3 LYS 65 HD3 LYS 65 -4.446 -10.310 -8.830 500 HE2 LYS 65 HE2 LYS 65 -6.068 -10.115 -10.673 501 HE3 LYS 65 HE3 LYS 65 -5.023 -8.936 -11.458 502 HZ1 LYS 65 HZ1 LYS 65 -4.336 -11.770 -10.888 503 HZ2 LYS 65 HZ2 LYS 65 -3.320 -10.647 -11.641 504 HZ3 LYS 65 HZ3 LYS 65 -4.751 -11.139 -12.401 505 H VAL 66 H VAL 66 -7.433 -5.700 -7.653 506 HA VAL 66 HA VAL 66 -9.276 -7.610 -6.399 507 HB VAL 66 HB VAL 66 -9.225 -4.647 -6.226 508 HG11 VAL 66 HG11 VAL 66 -11.533 -4.306 -5.780 509 HG12 VAL 66 HG12 VAL 66 -11.888 -6.024 -6.012 510 HG13 VAL 66 HG13 VAL 66 -11.402 -5.033 -7.387 511 HG21 VAL 66 HG21 VAL 66 -8.600 -5.824 -4.297 512 HG22 VAL 66 HG22 VAL 66 -9.979 -6.914 -4.424 513 HG23 VAL 66 HG23 VAL 66 -10.234 -5.231 -3.983 514 H ASP 67 H ASP 67 -11.195 -8.057 -7.465 515 HA ASP 67 HA ASP 67 -11.163 -7.668 -10.349 516 HB2 ASP 67 HB2 ASP 67 -11.667 -9.909 -9.321 517 HB3 ASP 67 HB3 ASP 67 -13.161 -9.227 -8.688 518 H GLU 68 H GLU 68 -11.835 -5.699 -10.913 519 HA GLU 68 HA GLU 68 -13.986 -4.370 -9.498 520 HB2 GLU 68 HB2 GLU 68 -12.148 -3.505 -11.725 521 HB3 GLU 68 HB3 GLU 68 -13.475 -2.503 -11.155 522 HG2 GLU 68 HG2 GLU 68 -12.468 -2.621 -8.861 523 HG3 GLU 68 HG3 GLU 68 -11.070 -3.423 -9.581 524 H SER 69 H SER 69 -13.960 -6.625 -11.890 525 HA SER 69 HA SER 69 -16.036 -5.528 -13.584 526 HB2 SER 69 HB2 SER 69 -15.858 -7.554 -14.853 527 HB3 SER 69 HB3 SER 69 -14.221 -7.069 -14.415 528 HG SER 69 HG SER 69 -15.411 -9.372 -13.926 529 H LYS 70 H LYS 70 -15.934 -7.265 -10.640 530 HA LYS 70 HA LYS 70 -18.543 -8.480 -10.833 531 HB2 LYS 70 HB2 LYS 70 -16.489 -8.203 -8.659 532 HB3 LYS 70 HB3 LYS 70 -18.043 -8.955 -8.370 533 HG2 LYS 70 HG2 LYS 70 -17.554 -10.607 -10.111 534 HG3 LYS 70 HG3 LYS 70 -15.981 -9.867 -10.367 535 HD2 LYS 70 HD2 LYS 70 -15.308 -10.425 -8.082 536 HD3 LYS 70 HD3 LYS 70 -16.896 -11.130 -7.777 537 HE2 LYS 70 HE2 LYS 70 -16.467 -12.812 -9.522 538 HE3 LYS 70 HE3 LYS 70 -14.871 -12.111 -9.793 539 HZ1 LYS 70 HZ1 LYS 70 -14.274 -12.676 -7.524 540 HZ2 LYS 70 HZ2 LYS 70 -14.768 -14.060 -8.362 541 HZ3 LYS 70 HZ3 LYS 70 -15.811 -13.330 -7.250 542 H LYS 71 H LYS 71 -18.479 -5.674 -11.255 543 HA LYS 71 HA LYS 71 -18.910 -3.883 -9.274 544 HB2 LYS 71 HB2 LYS 71 -20.448 -4.053 -11.871 545 HB3 LYS 71 HB3 LYS 71 -20.420 -2.647 -10.829 546 HG2 LYS 71 HG2 LYS 71 -18.079 -2.323 -11.250 547 HG3 LYS 71 HG3 LYS 71 -17.999 -3.817 -12.169 548 HD2 LYS 71 HD2 LYS 71 -19.533 -2.888 -13.819 549 HD3 LYS 71 HD3 LYS 71 -19.633 -1.386 -12.897 550 HE2 LYS 71 HE2 LYS 71 -17.257 -2.538 -14.330 551 HE3 LYS 71 HE3 LYS 71 -18.087 -1.005 -14.620 552 HZ1 LYS 71 HZ1 LYS 71 -16.514 -1.684 -12.190 553 HZ2 LYS 71 HZ2 LYS 71 -17.302 -0.214 -12.479 554 HZ3 LYS 71 HZ3 LYS 71 -15.996 -0.677 -13.449 555 H ARG 72 H ARG 72 -20.247 -3.587 -7.656 556 HA ARG 72 HA ARG 72 -22.780 -5.054 -7.547 557 HB2 ARG 72 HB2 ARG 72 -21.188 -5.323 -5.684 558 HB3 ARG 72 HB3 ARG 72 -21.205 -3.597 -5.399 559 HG2 ARG 72 HG2 ARG 72 -23.478 -3.686 -4.635 560 HG3 ARG 72 HG3 ARG 72 -23.633 -5.369 -5.140 561 HD2 ARG 72 HD2 ARG 72 -23.314 -5.232 -2.736 562 HD3 ARG 72 HD3 ARG 72 -21.927 -6.008 -3.496 563 HE ARG 72 HE ARG 72 -20.612 -4.170 -2.958 564 HH11 ARG 72 HH11 ARG 72 -23.942 -3.549 -2.022 565 HH12 ARG 72 HH12 ARG 72 -23.532 -2.181 -1.041 566 HH21 ARG 72 HH21 ARG 72 -20.100 -2.378 -1.669 567 HH22 ARG 72 HH22 ARG 72 -21.359 -1.520 -0.842 568 H LYS 73 H LYS 73 -24.739 -3.973 -7.041 569 HA LYS 73 HA LYS 73 -24.707 -1.042 -7.343 570 HB2 LYS 73 HB2 LYS 73 -26.703 -2.971 -8.566 571 HB3 LYS 73 HB3 LYS 73 -26.885 -1.223 -8.554 572 HG2 LYS 73 HG2 LYS 73 -24.820 -1.009 -9.852 573 HG3 LYS 73 HG3 LYS 73 -24.675 -2.762 -9.891 574 HD2 LYS 73 HD2 LYS 73 -26.839 -2.883 -11.065 575 HD3 LYS 73 HD3 LYS 73 -26.901 -1.117 -11.074 576 HE2 LYS 73 HE2 LYS 73 -24.822 -1.046 -12.352 577 HE3 LYS 73 HE3 LYS 73 -24.754 -2.809 -12.344 578 HZ1 LYS 73 HZ1 LYS 73 -26.901 -1.179 -13.594 579 HZ2 LYS 73 HZ2 LYS 73 -26.818 -2.868 -13.594 580 HZ3 LYS 73 HZ3 LYS 73 -25.652 -1.965 -14.423 581 H ASP 74 H ASP 74 -26.169 0.091 -6.106 582 HA ASP 74 HA ASP 74 -27.041 -1.283 -3.714 583 HB2 ASP 74 HB2 ASP 74 -27.313 0.917 -2.741 584 HB3 ASP 74 HB3 ASP 74 -25.774 0.848 -3.582 585 H ASN 75 H ASN 75 -29.225 0.268 -2.868 586 HA ASN 75 HA ASN 75 -31.350 -1.240 -3.860 587 HB2 ASN 75 HB2 ASN 75 -31.277 1.308 -2.259 588 HB3 ASN 75 HB3 ASN 75 -32.794 0.517 -2.677 589 HD21 ASN 75 HD21 ASN 75 -31.783 0.971 -0.059 590 HD22 ASN 75 HD22 ASN 75 -31.541 -0.572 0.681 591 H GLU 76 H GLU 76 -30.178 1.873 -4.974 592 HA GLU 76 HA GLU 76 -32.602 2.372 -6.517 593 HB2 GLU 76 HB2 GLU 76 -30.128 4.049 -6.087 594 HB3 GLU 76 HB3 GLU 76 -31.490 4.543 -7.082 595 HG2 GLU 76 HG2 GLU 76 -32.954 4.414 -5.105 596 HG3 GLU 76 HG3 GLU 76 -31.559 3.971 -4.124 597 H GLY 77 H GLY 77 -29.448 1.084 -7.004 598 HA2 GLY 77 HA2 GLY 77 -29.003 -0.209 -8.981 599 HA3 GLY 77 HA3 GLY 77 -29.992 0.914 -9.894 600 H ASN 78 H ASN 78 -27.820 2.344 -7.653 601 HA ASN 78 HA ASN 78 -26.146 3.365 -9.799 602 HB2 ASN 78 HB2 ASN 78 -26.138 3.926 -6.821 603 HB3 ASN 78 HB3 ASN 78 -25.094 4.727 -7.990 604 HD21 ASN 78 HD21 ASN 78 -27.815 5.080 -6.250 605 HD22 ASN 78 HD22 ASN 78 -28.668 6.212 -7.239 606 H GLU 79 H GLU 79 -23.892 3.087 -9.930 607 HA GLU 79 HA GLU 79 -23.087 0.410 -9.303 608 HB2 GLU 79 HB2 GLU 79 -22.501 1.525 -11.438 609 HB3 GLU 79 HB3 GLU 79 -21.502 2.667 -10.560 610 HG2 GLU 79 HG2 GLU 79 -20.034 0.850 -9.896 611 HG3 GLU 79 HG3 GLU 79 -21.078 -0.292 -10.742 612 H VAL 80 H VAL 80 -22.354 -0.186 -7.413 613 HA VAL 80 HA VAL 80 -20.528 1.600 -5.953 614 HB VAL 80 HB VAL 80 -22.377 -0.444 -4.691 615 HG11 VAL 80 HG11 VAL 80 -20.458 1.517 -3.452 616 HG12 VAL 80 HG12 VAL 80 -20.316 -0.240 -3.456 617 HG13 VAL 80 HG13 VAL 80 -21.620 0.537 -2.558 618 HG21 VAL 80 HG21 VAL 80 -22.538 2.562 -4.517 619 HG22 VAL 80 HG22 VAL 80 -23.603 1.410 -3.713 620 HG23 VAL 80 HG23 VAL 80 -23.612 1.543 -5.476 621 H VAL 81 H VAL 81 -18.578 0.908 -6.428 622 HA VAL 81 HA VAL 81 -18.187 -1.911 -6.975 623 HB VAL 81 HB VAL 81 -16.392 0.419 -7.596 624 HG11 VAL 81 HG11 VAL 81 -14.994 -1.501 -7.377 625 HG12 VAL 81 HG12 VAL 81 -15.167 -1.137 -9.096 626 HG13 VAL 81 HG13 VAL 81 -16.080 -2.468 -8.380 627 HG21 VAL 81 HG21 VAL 81 -18.429 0.491 -8.917 628 HG22 VAL 81 HG22 VAL 81 -18.153 -1.164 -9.457 629 HG23 VAL 81 HG23 VAL 81 -17.037 0.116 -9.934 630 HA PRO 82 HA PRO 82 -16.098 -2.605 -3.020 631 HB2 PRO 82 HB2 PRO 82 -15.147 -5.028 -4.487 632 HB3 PRO 82 HB3 PRO 82 -15.893 -4.907 -2.890 633 HG2 PRO 82 HG2 PRO 82 -17.352 -5.750 -4.816 634 HG3 PRO 82 HG3 PRO 82 -17.993 -4.594 -3.857 635 HD2 PRO 82 HD2 PRO 82 -16.718 -4.140 -6.475 636 HD3 PRO 82 HD3 PRO 82 -18.192 -3.598 -6.026 637 H LYS 83 H LYS 83 -14.162 -1.988 -2.308 638 HA LYS 83 HA LYS 83 -12.224 -1.203 -4.341 639 HB2 LYS 83 HB2 LYS 83 -12.543 -0.343 -1.479 640 HB3 LYS 83 HB3 LYS 83 -11.251 0.217 -2.505 641 HG2 LYS 83 HG2 LYS 83 -12.863 1.284 -3.996 642 HG3 LYS 83 HG3 LYS 83 -14.190 0.670 -3.021 643 HD2 LYS 83 HD2 LYS 83 -13.443 2.025 -1.144 644 HD3 LYS 83 HD3 LYS 83 -12.067 2.605 -2.078 645 HE2 LYS 83 HE2 LYS 83 -13.560 3.735 -3.625 646 HE3 LYS 83 HE3 LYS 83 -14.965 3.056 -2.807 647 HZ1 LYS 83 HZ1 LYS 83 -13.023 4.956 -1.605 648 HZ2 LYS 83 HZ2 LYS 83 -14.381 4.311 -0.828 649 HZ3 LYS 83 HZ3 LYS 83 -14.577 5.349 -2.149 650 HA PRO 84 HA PRO 84 -9.071 -4.072 -2.968 651 HB2 PRO 84 HB2 PRO 84 -6.806 -2.919 -3.798 652 HB3 PRO 84 HB3 PRO 84 -7.958 -3.599 -4.941 653 HG2 PRO 84 HG2 PRO 84 -7.526 -0.790 -4.241 654 HG3 PRO 84 HG3 PRO 84 -7.766 -1.445 -5.718 655 HD2 PRO 84 HD2 PRO 84 -9.921 -0.395 -4.306 656 HD3 PRO 84 HD3 PRO 84 -10.162 -1.605 -5.375 657 H GLN 85 H GLN 85 -7.231 -4.338 -1.599 658 HA GLN 85 HA GLN 85 -7.261 -2.512 0.673 659 HB2 GLN 85 HB2 GLN 85 -6.013 -5.242 0.321 660 HB3 GLN 85 HB3 GLN 85 -5.918 -4.299 1.798 661 HG2 GLN 85 HG2 GLN 85 -8.342 -4.385 2.027 662 HG3 GLN 85 HG3 GLN 85 -8.458 -5.293 0.523 663 HE21 GLN 85 HE21 GLN 85 -7.316 -5.390 3.837 664 HE22 GLN 85 HE22 GLN 85 -7.277 -7.110 3.975 665 H ARG 86 H ARG 86 -5.623 -1.275 1.304 666 HA ARG 86 HA ARG 86 -3.275 -1.118 -0.498 667 HB2 ARG 86 HB2 ARG 86 -4.826 1.095 0.873 668 HB3 ARG 86 HB3 ARG 86 -3.308 1.338 0.016 669 HG2 ARG 86 HG2 ARG 86 -4.337 0.577 -2.053 670 HG3 ARG 86 HG3 ARG 86 -5.841 0.257 -1.207 671 HD2 ARG 86 HD2 ARG 86 -6.081 2.621 -0.684 672 HD3 ARG 86 HD3 ARG 86 -4.546 2.966 -1.481 673 HE ARG 86 HE ARG 86 -5.569 2.733 -3.544 674 HH11 ARG 86 HH11 ARG 86 -7.836 1.750 -1.043 675 HH12 ARG 86 HH12 ARG 86 -9.196 1.765 -2.112 676 HH21 ARG 86 HH21 ARG 86 -7.371 2.757 -4.917 677 HH22 ARG 86 HH22 ARG 86 -8.933 2.334 -4.302 678 H HIS 87 H HIS 87 -1.303 -1.176 0.424 679 HA HIS 87 HA HIS 87 -1.136 -1.207 3.364 680 HB2 HIS 87 HB2 HIS 87 0.973 -2.310 1.508 681 HB3 HIS 87 HB3 HIS 87 0.696 -2.701 3.198 682 HD1 HIS 87 HD1 HIS 87 -0.819 -4.661 3.680 683 HD2 HIS 87 HD2 HIS 87 -0.919 -3.493 -0.309 684 HE1 HIS 87 HE1 HIS 87 -2.097 -6.464 2.481 685 HE2 HIS 87 HE2 HIS 87 -2.234 -5.684 0.090 686 H MET 88 H MET 88 -0.386 0.608 4.231 687 HA MET 88 HA MET 88 1.348 2.375 2.642 688 HB2 MET 88 HB2 MET 88 -0.802 3.297 3.490 689 HB3 MET 88 HB3 MET 88 -0.271 2.976 5.120 690 HG2 MET 88 HG2 MET 88 1.569 4.570 4.850 691 HG3 MET 88 HG3 MET 88 1.014 4.894 3.224 692 HE1 MET 88 HE1 MET 88 0.450 5.661 7.023 693 HE2 MET 88 HE2 MET 88 -0.720 4.392 6.670 694 HE3 MET 88 HE3 MET 88 -1.281 6.016 7.040 695 H PHE 89 H PHE 89 3.319 3.032 3.326 696 HA PHE 89 HA PHE 89 4.296 2.138 5.962 697 HB2 PHE 89 HB2 PHE 89 5.848 2.025 3.365 698 HB3 PHE 89 HB3 PHE 89 6.509 1.684 4.948 699 HD1 PHE 89 HD1 PHE 89 4.323 0.468 2.281 700 HD2 PHE 89 HD2 PHE 89 6.146 -0.425 6.011 701 HE1 PHE 89 HE1 PHE 89 3.749 -1.896 1.968 702 HE2 PHE 89 HE2 PHE 89 5.565 -2.799 5.729 703 HZ PHE 89 HZ PHE 89 4.368 -3.540 3.708 704 H SER 90 H SER 90 5.270 3.768 7.104 705 HA SER 90 HA SER 90 5.566 6.365 5.844 706 HB2 SER 90 HB2 SER 90 5.863 5.420 8.666 707 HB3 SER 90 HB3 SER 90 6.259 7.064 8.194 708 HG SER 90 HG SER 90 3.776 5.764 8.283 709 H PHE 91 H PHE 91 7.434 7.549 5.668 710 HA PHE 91 HA PHE 91 9.959 6.023 5.768 711 HB2 PHE 91 HB2 PHE 91 8.700 7.521 3.495 712 HB3 PHE 91 HB3 PHE 91 10.449 7.407 3.579 713 HD1 PHE 91 HD1 PHE 91 7.389 5.274 3.658 714 HD2 PHE 91 HD2 PHE 91 11.516 5.584 2.647 715 HE1 PHE 91 HE1 PHE 91 7.298 3.071 2.561 716 HE2 PHE 91 HE2 PHE 91 11.421 3.379 1.553 717 HZ PHE 91 HZ PHE 91 9.299 2.128 1.510 718 H ASN 92 H ASN 92 11.869 7.605 5.261 719 HA ASN 92 HA ASN 92 11.454 10.123 6.727 720 HB2 ASN 92 HB2 ASN 92 13.871 8.297 6.868 721 HB3 ASN 92 HB3 ASN 92 13.724 9.847 7.683 722 HD21 ASN 92 HD21 ASN 92 13.174 6.525 7.856 723 HD22 ASN 92 HD22 ASN 92 12.295 6.490 9.343 724 H ASN 93 H ASN 93 12.631 8.605 3.877 725 HA ASN 93 HA ASN 93 13.600 11.161 2.855 726 HB2 ASN 93 HB2 ASN 93 15.566 9.764 3.790 727 HB3 ASN 93 HB3 ASN 93 15.296 8.704 2.415 728 HD21 ASN 93 HD21 ASN 93 17.538 10.512 3.206 729 HD22 ASN 93 HD22 ASN 93 17.817 11.501 1.817 730 H ARG 94 H ARG 94 12.836 11.516 0.893 731 HA ARG 94 HA ARG 94 11.207 9.760 -0.543 732 HB2 ARG 94 HB2 ARG 94 11.170 11.394 -2.293 733 HB3 ARG 94 HB3 ARG 94 11.144 12.219 -0.741 734 HG2 ARG 94 HG2 ARG 94 13.337 12.991 -0.983 735 HG3 ARG 94 HG3 ARG 94 13.712 11.812 -2.238 736 HD2 ARG 94 HD2 ARG 94 11.739 14.062 -2.566 737 HD3 ARG 94 HD3 ARG 94 13.425 14.160 -3.050 738 HE ARG 94 HE ARG 94 11.316 12.672 -4.372 739 HH11 ARG 94 HH11 ARG 94 14.781 13.211 -4.130 740 HH12 ARG 94 HH12 ARG 94 15.108 12.533 -5.690 741 HH21 ARG 94 HH21 ARG 94 11.772 11.789 -6.406 742 HH22 ARG 94 HH22 ARG 94 13.405 11.730 -6.976 743 H THR 95 H THR 95 14.636 9.938 -0.486 744 HA THR 95 HA THR 95 15.150 8.949 -3.126 745 HB THR 95 HB THR 95 17.482 8.643 -2.331 746 HG1 THR 95 HG1 THR 95 17.427 8.111 -0.234 747 HG21 THR 95 HG21 THR 95 16.281 11.278 -1.446 748 HG22 THR 95 HG22 THR 95 16.795 10.882 -3.086 749 HG23 THR 95 HG23 THR 95 17.987 10.984 -1.790 750 H VAL 96 H VAL 96 14.507 7.460 -0.014 751 HA VAL 96 HA VAL 96 15.285 4.795 -0.875 752 HB VAL 96 HB VAL 96 13.706 5.629 1.587 753 HG11 VAL 96 HG11 VAL 96 13.367 3.258 0.871 754 HG12 VAL 96 HG12 VAL 96 14.086 3.438 2.469 755 HG13 VAL 96 HG13 VAL 96 15.095 2.997 1.090 756 HG21 VAL 96 HG21 VAL 96 16.628 4.907 1.371 757 HG22 VAL 96 HG22 VAL 96 15.759 5.316 2.851 758 HG23 VAL 96 HG23 VAL 96 15.987 6.534 1.595 759 H MET 97 H MET 97 12.167 6.216 0.174 760 HA MET 97 HA MET 97 10.395 4.288 -0.625 761 HB2 MET 97 HB2 MET 97 8.727 6.043 -0.668 762 HB3 MET 97 HB3 MET 97 9.789 6.287 0.692 763 HG2 MET 97 HG2 MET 97 10.789 8.128 -0.386 764 HG3 MET 97 HG3 MET 97 10.060 7.674 -1.916 765 HE1 MET 97 HE1 MET 97 9.749 9.705 1.281 766 HE2 MET 97 HE2 MET 97 8.775 8.335 1.804 767 HE3 MET 97 HE3 MET 97 8.019 9.906 1.532 768 H ASP 98 H ASP 98 11.976 6.637 -2.737 769 HA ASP 98 HA ASP 98 10.398 5.930 -5.049 770 HB2 ASP 98 HB2 ASP 98 12.968 7.501 -4.697 771 HB3 ASP 98 HB3 ASP 98 12.251 7.194 -6.273 772 H ASN 99 H ASN 99 13.473 4.911 -3.678 773 HA ASN 99 HA ASN 99 14.245 3.285 -5.921 774 HB2 ASN 99 HB2 ASN 99 15.355 4.076 -3.341 775 HB3 ASN 99 HB3 ASN 99 15.664 2.384 -3.680 776 HD21 ASN 99 HD21 ASN 99 16.791 5.450 -4.049 777 HD22 ASN 99 HD22 ASN 99 17.875 5.208 -5.374 778 H ILE 100 H ILE 100 12.531 2.674 -2.854 779 HA ILE 100 HA ILE 100 12.359 -0.166 -3.195 780 HB ILE 100 HB ILE 100 10.425 1.588 -1.640 781 HG12 ILE 100 HG12 ILE 100 12.630 2.029 -0.741 782 HG13 ILE 100 HG13 ILE 100 11.738 1.062 0.398 783 HG21 ILE 100 HG21 ILE 100 9.702 -0.765 -2.093 784 HG22 ILE 100 HG22 ILE 100 9.792 -0.331 -0.390 785 HG23 ILE 100 HG23 ILE 100 11.066 -1.309 -1.120 786 HD11 ILE 100 HD11 ILE 100 13.024 -0.910 -0.324 787 HD12 ILE 100 HD12 ILE 100 14.043 0.377 0.325 788 HD13 ILE 100 HD13 ILE 100 13.948 0.121 -1.419 789 H LYS 101 H LYS 101 9.985 2.467 -3.718 790 HA LYS 101 HA LYS 101 7.990 1.179 -5.098 791 HB2 LYS 101 HB2 LYS 101 7.883 3.501 -4.345 792 HB3 LYS 101 HB3 LYS 101 9.068 3.956 -5.558 793 HG2 LYS 101 HG2 LYS 101 7.511 3.380 -7.332 794 HG3 LYS 101 HG3 LYS 101 6.340 2.833 -6.135 795 HD2 LYS 101 HD2 LYS 101 6.175 5.108 -5.249 796 HD3 LYS 101 HD3 LYS 101 7.379 5.649 -6.411 797 HE2 LYS 101 HE2 LYS 101 5.879 5.092 -8.250 798 HE3 LYS 101 HE3 LYS 101 4.666 4.524 -7.101 799 HZ1 LYS 101 HZ1 LYS 101 4.179 6.761 -7.841 800 HZ2 LYS 101 HZ2 LYS 101 5.694 7.304 -7.322 801 HZ3 LYS 101 HZ3 LYS 101 4.554 6.769 -6.191 802 H MET 102 H MET 102 10.985 2.523 -6.440 803 HA MET 102 HA MET 102 10.546 2.105 -9.156 804 HB2 MET 102 HB2 MET 102 12.416 3.381 -8.190 805 HB3 MET 102 HB3 MET 102 13.135 1.905 -7.618 806 HG2 MET 102 HG2 MET 102 13.401 1.169 -9.969 807 HG3 MET 102 HG3 MET 102 12.732 2.722 -10.471 808 HE1 MET 102 HE1 MET 102 15.479 5.237 -9.211 809 HE2 MET 102 HE2 MET 102 13.948 4.765 -8.473 810 HE3 MET 102 HE3 MET 102 14.032 5.089 -10.205 811 H THR 103 H THR 103 12.157 -0.140 -6.852 812 HA THR 103 HA THR 103 12.432 -2.291 -8.648 813 HB THR 103 HB THR 103 12.181 -2.360 -5.625 814 HG1 THR 103 HG1 THR 103 14.542 -2.623 -7.176 815 HG21 THR 103 HG21 THR 103 11.719 -4.581 -6.570 816 HG22 THR 103 HG22 THR 103 13.281 -4.563 -5.756 817 HG23 THR 103 HG23 THR 103 13.205 -4.494 -7.514 818 H LEU 104 H LEU 104 9.969 -1.862 -6.067 819 HA LEU 104 HA LEU 104 8.192 -3.860 -6.513 820 HB2 LEU 104 HB2 LEU 104 7.599 -0.938 -5.961 821 HB3 LEU 104 HB3 LEU 104 6.397 -2.193 -5.822 822 HG LEU 104 HG LEU 104 8.912 -2.143 -4.168 823 HD11 LEU 104 HD11 LEU 104 7.032 -1.477 -2.401 824 HD12 LEU 104 HD12 LEU 104 6.334 -0.715 -3.832 825 HD13 LEU 104 HD13 LEU 104 7.951 -0.277 -3.293 826 HD21 LEU 104 HD21 LEU 104 6.331 -3.440 -3.427 827 HD22 LEU 104 HD22 LEU 104 7.965 -3.795 -2.864 828 HD23 LEU 104 HD23 LEU 104 7.472 -4.276 -4.485 829 H GLN 105 H GLN 105 7.920 -0.658 -8.013 830 HA GLN 105 HA GLN 105 5.911 -1.048 -9.851 831 HB2 GLN 105 HB2 GLN 105 6.962 1.119 -9.333 832 HB3 GLN 105 HB3 GLN 105 8.394 0.652 -10.223 833 HG2 GLN 105 HG2 GLN 105 7.080 0.532 -12.287 834 HG3 GLN 105 HG3 GLN 105 5.638 0.979 -11.386 835 HE21 GLN 105 HE21 GLN 105 5.814 2.598 -13.250 836 HE22 GLN 105 HE22 GLN 105 6.597 4.092 -12.877 837 H GLN 106 H GLN 106 9.235 -2.087 -10.150 838 HA GLN 106 HA GLN 106 8.985 -2.792 -12.955 839 HB2 GLN 106 HB2 GLN 106 11.215 -2.964 -10.930 840 HB3 GLN 106 HB3 GLN 106 11.346 -3.733 -12.502 841 HG2 GLN 106 HG2 GLN 106 10.970 -1.557 -13.574 842 HG3 GLN 106 HG3 GLN 106 10.958 -0.782 -12.000 843 HE21 GLN 106 HE21 GLN 106 12.943 -1.002 -10.716 844 HE22 GLN 106 HE22 GLN 106 14.464 -1.043 -11.534 845 H ILE 107 H ILE 107 8.565 -4.285 -9.881 846 HA ILE 107 HA ILE 107 8.708 -7.008 -10.824 847 HB ILE 107 HB ILE 107 7.827 -5.806 -8.178 848 HG12 ILE 107 HG12 ILE 107 10.243 -7.522 -8.814 849 HG13 ILE 107 HG13 ILE 107 10.275 -5.777 -8.821 850 HG21 ILE 107 HG21 ILE 107 7.688 -8.043 -7.254 851 HG22 ILE 107 HG22 ILE 107 8.071 -8.747 -8.827 852 HG23 ILE 107 HG23 ILE 107 6.560 -7.866 -8.598 853 HD11 ILE 107 HD11 ILE 107 11.212 -6.828 -6.768 854 HD12 ILE 107 HD12 ILE 107 9.586 -7.393 -6.387 855 HD13 ILE 107 HD13 ILE 107 9.918 -5.664 -6.475 856 H ILE 108 H ILE 108 6.066 -4.714 -10.022 857 HA ILE 108 HA ILE 108 3.966 -6.622 -10.373 858 HB ILE 108 HB ILE 108 3.747 -3.595 -10.532 859 HG12 ILE 108 HG12 ILE 108 2.960 -5.293 -8.193 860 HG13 ILE 108 HG13 ILE 108 4.616 -4.783 -8.377 861 HG21 ILE 108 HG21 ILE 108 1.612 -5.693 -10.070 862 HG22 ILE 108 HG22 ILE 108 1.827 -4.767 -11.556 863 HG23 ILE 108 HG23 ILE 108 1.360 -3.944 -10.065 864 HD11 ILE 108 HD11 ILE 108 2.284 -2.909 -8.226 865 HD12 ILE 108 HD12 ILE 108 3.994 -2.482 -8.239 866 HD13 ILE 108 HD13 ILE 108 3.314 -3.352 -6.868 867 H SER 109 H SER 109 5.542 -4.326 -12.499 868 HA SER 109 HA SER 109 3.890 -4.617 -14.776 869 HB2 SER 109 HB2 SER 109 5.706 -3.608 -16.017 870 HB3 SER 109 HB3 SER 109 5.573 -2.806 -14.452 871 HG SER 109 HG SER 109 7.726 -3.244 -14.826 872 H ARG 110 H ARG 110 6.200 -6.756 -13.368 873 HA ARG 110 HA ARG 110 6.578 -8.436 -15.681 874 HB2 ARG 110 HB2 ARG 110 7.105 -8.881 -12.737 875 HB3 ARG 110 HB3 ARG 110 7.423 -10.101 -13.958 876 HG2 ARG 110 HG2 ARG 110 9.035 -8.626 -15.030 877 HG3 ARG 110 HG3 ARG 110 8.689 -7.369 -13.846 878 HD2 ARG 110 HD2 ARG 110 9.452 -8.900 -12.060 879 HD3 ARG 110 HD3 ARG 110 9.880 -10.084 -13.292 880 HE ARG 110 HE ARG 110 11.188 -7.749 -13.976 881 HH11 ARG 110 HH11 ARG 110 11.251 -9.962 -11.247 882 HH12 ARG 110 HH12 ARG 110 12.908 -9.629 -10.870 883 HH21 ARG 110 HH21 ARG 110 13.353 -7.332 -13.463 884 HH22 ARG 110 HH22 ARG 110 14.096 -8.140 -12.123 885 H TYR 111 H TYR 111 4.496 -8.486 -12.801 886 HA TYR 111 HA TYR 111 3.031 -10.831 -13.701 887 HB2 TYR 111 HB2 TYR 111 2.436 -9.010 -11.363 888 HB3 TYR 111 HB3 TYR 111 1.767 -10.610 -11.655 889 HD1 TYR 111 HD1 TYR 111 3.771 -12.433 -12.131 890 HD2 TYR 111 HD2 TYR 111 4.048 -8.940 -9.711 891 HE1 TYR 111 HE1 TYR 111 5.637 -13.443 -10.897 892 HE2 TYR 111 HE2 TYR 111 5.910 -9.948 -8.466 893 HH TYR 111 HH TYR 111 7.549 -12.713 -9.545 894 H LYS 112 H LYS 112 3.013 -7.646 -14.514 895 HA LYS 112 HA LYS 112 0.161 -7.282 -14.894 896 HB2 LYS 112 HB2 LYS 112 1.648 -5.419 -14.245 897 HB3 LYS 112 HB3 LYS 112 2.524 -5.602 -15.756 898 HG2 LYS 112 HG2 LYS 112 1.064 -3.771 -16.041 899 HG3 LYS 112 HG3 LYS 112 0.360 -5.107 -16.930 900 HD2 LYS 112 HD2 LYS 112 -1.231 -5.515 -15.126 901 HD3 LYS 112 HD3 LYS 112 -0.485 -4.246 -14.160 902 HE2 LYS 112 HE2 LYS 112 -1.157 -2.600 -15.914 903 HE3 LYS 112 HE3 LYS 112 -2.008 -3.895 -16.749 904 HZ1 LYS 112 HZ1 LYS 112 -3.467 -4.145 -14.877 905 HZ2 LYS 112 HZ2 LYS 112 -3.466 -2.523 -15.346 906 HZ3 LYS 112 HZ3 LYS 112 -2.599 -3.007 -13.978 907 H ASP 113 H ASP 113 3.007 -8.202 -16.681 908 HA ASP 113 HA ASP 113 1.604 -8.361 -19.221 909 HB2 ASP 113 HB2 ASP 113 4.467 -8.769 -18.375 910 HB3 ASP 113 HB3 ASP 113 3.903 -9.137 -19.991 911 H ALA 114 H ALA 114 2.475 -10.347 -16.549 912 HA ALA 114 HA ALA 114 2.369 -12.849 -17.990 913 HB1 ALA 114 HB1 ALA 114 2.927 -13.911 -15.947 914 HB2 ALA 114 HB2 ALA 114 2.450 -12.498 -15.012 915 HB3 ALA 114 HB3 ALA 114 3.887 -12.432 -16.032 916 H ASP 115 H ASP 115 0.079 -10.764 -16.818 917 HA ASP 115 HA ASP 115 -1.885 -12.896 -16.315 918 HB2 ASP 115 HB2 ASP 115 -1.563 -11.364 -14.427 919 HB3 ASP 115 HB3 ASP 115 -1.959 -9.992 -15.452 920 H1 GLY 519 H1 GLY 519 -22.437 -2.253 8.993 921 H2 GLY 519 H2 GLY 519 -23.300 -1.320 7.878 922 H3 GLY 519 H3 GLY 519 -21.715 -0.895 8.288 923 HA2 GLY 519 HA2 GLY 519 -21.764 -1.939 6.119 924 HA3 GLY 519 HA3 GLY 519 -20.864 -2.908 7.278 925 H SER 520 H SER 520 -21.185 -4.976 6.846 926 HA SER 520 HA SER 520 -23.847 -5.885 5.998 927 HB2 SER 520 HB2 SER 520 -22.177 -6.556 4.430 928 HB3 SER 520 HB3 SER 520 -21.101 -7.116 5.710 929 HG SER 520 HG SER 520 -23.136 -8.538 6.134 930 HA PRO 521 HA PRO 521 -24.303 -7.670 10.108 931 HB2 PRO 521 HB2 PRO 521 -26.614 -9.052 9.682 932 HB3 PRO 521 HB3 PRO 521 -26.561 -7.306 9.905 933 HG2 PRO 521 HG2 PRO 521 -26.770 -8.833 7.433 934 HG3 PRO 521 HG3 PRO 521 -27.527 -7.446 7.844 935 HD2 PRO 521 HD2 PRO 521 -25.503 -7.509 6.254 936 HD3 PRO 521 HD3 PRO 521 -25.868 -6.204 7.165 937 H GLY 522 H GLY 522 -23.483 -9.430 11.066 938 HA2 GLY 522 HA2 GLY 522 -23.760 -12.008 10.936 939 HA3 GLY 522 HA3 GLY 522 -22.917 -11.792 9.410 940 H TYR 523 H TYR 523 -22.602 -10.873 12.839 941 HA TYR 523 HA TYR 523 -20.859 -10.749 14.280 942 HB2 TYR 523 HB2 TYR 523 -19.635 -12.959 12.610 943 HB3 TYR 523 HB3 TYR 523 -19.225 -12.555 14.273 944 HD1 TYR 523 HD1 TYR 523 -21.667 -14.185 12.081 945 HD2 TYR 523 HD2 TYR 523 -20.725 -13.161 16.105 946 HE1 TYR 523 HE1 TYR 523 -23.367 -15.773 12.879 947 HE2 TYR 523 HE2 TYR 523 -22.423 -14.746 16.910 948 HH TYR 523 HH TYR 523 -24.465 -15.832 16.089 949 HA PRO 524 HA PRO 524 -18.221 -7.896 11.759 950 HB2 PRO 524 HB2 PRO 524 -18.110 -6.521 14.392 951 HB3 PRO 524 HB3 PRO 524 -18.432 -5.851 12.788 952 HG2 PRO 524 HG2 PRO 524 -20.422 -6.130 14.419 953 HG3 PRO 524 HG3 PRO 524 -20.639 -6.586 12.866 954 HD2 PRO 524 HD2 PRO 524 -20.015 -8.388 15.118 955 HD3 PRO 524 HD3 PRO 524 -21.215 -8.599 14.030 956 H ASN 525 H ASN 525 -16.032 -7.770 11.643 957 HA ASN 525 HA ASN 525 -14.487 -9.015 13.820 958 HB2 ASN 525 HB2 ASN 525 -13.991 -9.140 10.834 959 HB3 ASN 525 HB3 ASN 525 -12.848 -9.712 12.041 960 HD21 ASN 525 HD21 ASN 525 -15.252 -10.620 9.986 961 HD22 ASN 525 HD22 ASN 525 -15.714 -12.114 10.721 962 H GLY 526 H GLY 526 -12.655 -8.049 14.549 963 HA2 GLY 526 HA2 GLY 526 -11.667 -5.643 13.198 964 HA3 GLY 526 HA3 GLY 526 -12.238 -5.479 14.849 965 H LEU 527 H LEU 527 -10.240 -7.876 13.140 966 HA LEU 527 HA LEU 527 -8.137 -7.464 15.138 967 HB2 LEU 527 HB2 LEU 527 -8.925 -10.026 13.764 968 HB3 LEU 527 HB3 LEU 527 -7.509 -9.852 14.779 969 HG LEU 527 HG LEU 527 -10.348 -9.486 15.773 970 HD11 LEU 527 HD11 LEU 527 -8.522 -11.877 15.976 971 HD12 LEU 527 HD12 LEU 527 -10.016 -11.780 15.044 972 HD13 LEU 527 HD13 LEU 527 -10.068 -11.694 16.804 973 HD21 LEU 527 HD21 LEU 527 -7.755 -9.856 17.279 974 HD22 LEU 527 HD22 LEU 527 -9.359 -9.657 17.986 975 HD23 LEU 527 HD23 LEU 527 -8.617 -8.328 17.096 976 H LEU 528 H LEU 528 -8.841 -8.378 11.896 977 HA LEU 528 HA LEU 528 -6.142 -7.664 11.011 978 HB2 LEU 528 HB2 LEU 528 -8.301 -9.211 9.564 979 HB3 LEU 528 HB3 LEU 528 -6.701 -8.896 8.934 980 HG LEU 528 HG LEU 528 -7.233 -10.556 11.409 981 HD11 LEU 528 HD11 LEU 528 -6.736 -12.483 9.941 982 HD12 LEU 528 HD12 LEU 528 -6.753 -11.394 8.553 983 HD13 LEU 528 HD13 LEU 528 -8.224 -11.645 9.494 984 HD21 LEU 528 HD21 LEU 528 -4.766 -10.273 9.686 985 HD22 LEU 528 HD22 LEU 528 -4.941 -11.324 11.092 986 HD23 LEU 528 HD23 LEU 528 -4.980 -9.573 11.290 987 H SER 529 H SER 529 -9.339 -6.634 11.067 988 HA SER 529 HA SER 529 -8.837 -4.563 9.029 989 HB2 SER 529 HB2 SER 529 -11.340 -4.439 8.805 990 HB3 SER 529 HB3 SER 529 -10.642 -5.969 8.279 991 HG SER 529 HG SER 529 -11.310 -6.898 10.209 992 H GLY 530 H GLY 530 -7.942 -4.326 11.693 993 HA2 GLY 530 HA2 GLY 530 -9.828 -2.460 12.966 994 HA3 GLY 530 HA3 GLY 530 -8.480 -3.252 13.765 995 H ASP 531 H ASP 531 -6.858 -2.500 11.227 996 HA ASP 531 HA ASP 531 -6.386 0.321 11.940 997 HB2 ASP 531 HB2 ASP 531 -4.335 -1.815 11.293 998 HB3 ASP 531 HB3 ASP 531 -3.958 -0.105 11.465 999 H GLU 532 H GLU 532 -7.414 -1.719 9.603 1000 HA GLU 532 HA GLU 532 -6.291 -0.271 7.340 1001 HB2 GLU 532 HB2 GLU 532 -7.870 -2.819 7.553 1002 HB3 GLU 532 HB3 GLU 532 -7.396 -2.099 6.040 1003 HG2 GLU 532 HG2 GLU 532 -5.058 -2.366 6.642 1004 HG3 GLU 532 HG3 GLU 532 -5.529 -3.051 8.192 1005 H ASP 533 H ASP 533 -8.667 0.293 9.301 1006 HA ASP 533 HA ASP 533 -10.815 0.824 7.398 1007 HB2 ASP 533 HB2 ASP 533 -10.635 0.951 10.409 1008 HB3 ASP 533 HB3 ASP 533 -12.026 1.576 9.532 1009 H PHE 534 H PHE 534 -8.240 2.475 8.988 1010 HA PHE 534 HA PHE 534 -9.420 5.116 8.564 1011 HB2 PHE 534 HB2 PHE 534 -6.807 4.318 9.871 1012 HB3 PHE 534 HB3 PHE 534 -7.415 5.964 9.763 1013 HD1 PHE 534 HD1 PHE 534 -7.518 2.861 11.585 1014 HD2 PHE 534 HD2 PHE 534 -9.529 6.565 10.975 1015 HE1 PHE 534 HE1 PHE 534 -8.720 2.554 13.708 1016 HE2 PHE 534 HE2 PHE 534 -10.735 6.261 13.098 1017 HZ PHE 534 HZ PHE 534 -10.331 4.254 14.468 1018 H SER 535 H SER 535 -7.605 2.948 6.814 1019 HA SER 535 HA SER 535 -6.010 4.898 5.389 1020 HB2 SER 535 HB2 SER 535 -5.122 3.024 4.151 1021 HB3 SER 535 HB3 SER 535 -5.128 2.615 5.860 1022 HG SER 535 HG SER 535 -6.311 1.337 3.836 1023 H SER 536 H SER 536 -9.180 3.815 5.254 1024 HA SER 536 HA SER 536 -9.590 4.049 2.406 1025 HB2 SER 536 HB2 SER 536 -11.959 3.741 2.919 1026 HB3 SER 536 HB3 SER 536 -10.996 2.560 3.801 1027 HG SER 536 HG SER 536 -11.219 3.826 5.656 1028 H ILE 537 H ILE 537 -10.028 6.078 5.246 1029 HA ILE 537 HA ILE 537 -10.961 8.332 3.690 1030 HB ILE 537 HB ILE 537 -10.911 9.578 5.830 1031 HG12 ILE 537 HG12 ILE 537 -9.953 7.007 7.116 1032 HG13 ILE 537 HG13 ILE 537 -8.918 8.382 6.772 1033 HG21 ILE 537 HG21 ILE 537 -12.294 6.908 6.116 1034 HG22 ILE 537 HG22 ILE 537 -12.951 8.345 5.333 1035 HG23 ILE 537 HG23 ILE 537 -12.637 8.354 7.068 1036 HD11 ILE 537 HD11 ILE 537 -10.599 9.706 8.243 1037 HD12 ILE 537 HD12 ILE 537 -9.413 8.649 9.018 1038 HD13 ILE 537 HD13 ILE 537 -11.080 8.109 8.820 1039 H ALA 538 H ALA 538 -7.979 6.947 4.520 1040 HA ALA 538 HA ALA 538 -6.474 9.379 4.151 1041 HB1 ALA 538 HB1 ALA 538 -4.572 8.174 4.747 1042 HB2 ALA 538 HB2 ALA 538 -5.292 6.638 4.273 1043 HB3 ALA 538 HB3 ALA 538 -5.858 7.464 5.724 1044 H ASP 539 H ASP 539 -8.149 7.670 2.104 1045 HA ASP 539 HA ASP 539 -6.267 7.592 -0.124 1046 HB2 ASP 539 HB2 ASP 539 -9.109 6.698 0.280 1047 HB3 ASP 539 HB3 ASP 539 -8.506 6.945 -1.354 1048 H MET 540 H MET 540 -9.003 9.450 1.094 1049 HA MET 540 HA MET 540 -9.160 11.312 -1.049 1050 HB2 MET 540 HB2 MET 540 -10.046 11.510 1.823 1051 HB3 MET 540 HB3 MET 540 -10.382 12.732 0.600 1052 HG2 MET 540 HG2 MET 540 -11.294 9.862 0.533 1053 HG3 MET 540 HG3 MET 540 -12.291 11.261 0.919 1054 HE1 MET 540 HE1 MET 540 -11.430 13.435 -1.218 1055 HE2 MET 540 HE2 MET 540 -13.080 13.024 -0.757 1056 HE3 MET 540 HE3 MET 540 -12.632 13.094 -2.464 1057 H ASP 541 H ASP 541 -7.071 10.930 1.649 1058 HA ASP 541 HA ASP 541 -6.029 13.591 1.662 1059 HB2 ASP 541 HB2 ASP 541 -5.305 11.025 3.037 1060 HB3 ASP 541 HB3 ASP 541 -4.338 12.467 3.224 1061 H PHE 542 H PHE 542 -5.184 10.497 0.228 1062 HA PHE 542 HA PHE 542 -2.488 11.305 -0.445 1063 HB2 PHE 542 HB2 PHE 542 -3.940 8.819 -0.247 1064 HB3 PHE 542 HB3 PHE 542 -3.072 8.896 -1.775 1065 HD1 PHE 542 HD1 PHE 542 -2.727 8.803 1.880 1066 HD2 PHE 542 HD2 PHE 542 -0.684 8.887 -1.853 1067 HE1 PHE 542 HE1 PHE 542 -0.638 8.170 3.006 1068 HE2 PHE 542 HE2 PHE 542 1.402 8.259 -0.720 1069 HZ PHE 542 HZ PHE 542 1.421 7.886 1.700 1070 H SER 543 H SER 543 -5.585 11.158 -2.039 1071 HA SER 543 HA SER 543 -4.564 11.145 -4.721 1072 HB2 SER 543 HB2 SER 543 -6.884 11.396 -5.403 1073 HB3 SER 543 HB3 SER 543 -6.769 10.196 -4.120 1074 HG SER 543 HG SER 543 -7.809 12.803 -4.033 1075 H ALA 544 H ALA 544 -5.075 13.595 -2.382 1076 HA ALA 544 HA ALA 544 -5.212 15.754 -4.336 1077 HB1 ALA 544 HB1 ALA 544 -5.123 15.881 -1.323 1078 HB2 ALA 544 HB2 ALA 544 -6.586 15.877 -2.307 1079 HB3 ALA 544 HB3 ALA 544 -5.456 17.226 -2.415 1080 H LEU 545 H LEU 545 -2.811 13.974 -2.727 1081 HA LEU 545 HA LEU 545 -0.858 16.093 -2.556 1082 HB2 LEU 545 HB2 LEU 545 -0.697 13.139 -2.005 1083 HB3 LEU 545 HB3 LEU 545 0.618 14.251 -1.764 1084 HG LEU 545 HG LEU 545 -2.005 14.422 -0.299 1085 HD11 LEU 545 HD11 LEU 545 -0.639 12.382 0.234 1086 HD12 LEU 545 HD12 LEU 545 -0.943 13.460 1.585 1087 HD13 LEU 545 HD13 LEU 545 0.629 13.471 0.788 1088 HD21 LEU 545 HD21 LEU 545 -0.722 15.914 1.224 1089 HD22 LEU 545 HD22 LEU 545 -0.937 16.577 -0.394 1090 HD23 LEU 545 HD23 LEU 545 0.612 15.873 0.069 1091 H LEU 546 H LEU 546 -1.464 13.249 -4.603 1092 HA LEU 546 HA LEU 546 0.947 13.506 -6.129 1093 HB2 LEU 546 HB2 LEU 546 -1.628 12.037 -6.681 1094 HB3 LEU 546 HB3 LEU 546 -0.251 11.980 -7.754 1095 HG LEU 546 HG LEU 546 -0.132 11.088 -4.879 1096 HD11 LEU 546 HD11 LEU 546 -1.790 9.744 -6.054 1097 HD12 LEU 546 HD12 LEU 546 -0.336 8.801 -5.736 1098 HD13 LEU 546 HD13 LEU 546 -0.638 9.436 -7.353 1099 HD21 LEU 546 HD21 LEU 546 1.649 10.574 -7.260 1100 HD22 LEU 546 HD22 LEU 546 1.859 9.862 -5.661 1101 HD23 LEU 546 HD23 LEU 546 2.026 11.603 -5.881 1102 H SER 547 H SER 547 -2.351 14.585 -6.491 1103 HA SER 547 HA SER 547 -1.507 16.410 -8.646 1104 HB2 SER 547 HB2 SER 547 -3.927 16.622 -9.192 1105 HB3 SER 547 HB3 SER 547 -3.363 14.958 -9.324 1106 HG SER 547 HG SER 547 -5.428 15.450 -8.131 1107 H GLN 548 H GLN 548 -0.482 17.585 -6.843 1108 HA GLN 548 HA GLN 548 -2.268 18.901 -4.945 1109 HB2 GLN 548 HB2 GLN 548 -0.135 17.722 -4.237 1110 HB3 GLN 548 HB3 GLN 548 0.754 19.001 -5.045 1111 HG2 GLN 548 HG2 GLN 548 -0.118 20.648 -3.515 1112 HG3 GLN 548 HG3 GLN 548 -1.183 19.457 -2.785 1113 HE21 GLN 548 HE21 GLN 548 0.086 20.550 -0.930 1114 HE22 GLN 548 HE22 GLN 548 1.489 19.696 -0.395 1115 H ILE 549 H ILE 549 -3.129 20.088 -6.885 1116 HA ILE 549 HA ILE 549 -1.487 22.428 -7.597 1117 HB ILE 549 HB ILE 549 -3.978 21.356 -8.963 1118 HG12 ILE 549 HG12 ILE 549 -1.150 21.387 -10.059 1119 HG13 ILE 549 HG13 ILE 549 -1.873 19.986 -9.293 1120 HG21 ILE 549 HG21 ILE 549 -2.225 23.666 -9.801 1121 HG22 ILE 549 HG22 ILE 549 -3.868 23.777 -9.171 1122 HG23 ILE 549 HG23 ILE 549 -3.571 23.004 -10.729 1123 HD11 ILE 549 HD11 ILE 549 -1.914 19.773 -11.707 1124 HD12 ILE 549 HD12 ILE 549 -2.802 21.291 -11.852 1125 HD13 ILE 549 HD13 ILE 549 -3.559 19.896 -11.081 1126 H SER 550 H SER 550 -1.885 24.220 -6.516 1127 HA SER 550 HA SER 550 -4.596 24.724 -5.472 1128 HB2 SER 550 HB2 SER 550 -1.922 25.482 -4.271 1129 HB3 SER 550 HB3 SER 550 -3.474 26.061 -3.670 1130 HG SER 550 HG SER 550 -4.020 23.988 -3.106 1131 H SER 551 H SER 551 -5.530 26.664 -5.858 1132 HA SER 551 HA SER 551 -4.018 28.576 -7.512 1133 HB2 SER 551 HB2 SER 551 -5.866 27.587 -8.748 1134 HB3 SER 551 HB3 SER 551 -6.993 27.998 -7.457 1135 HG SER 551 HG SER 551 -6.232 29.489 -9.530 Start of MODEL 8 1 H2 PRO 1 H2 PRO 1 20.600 -4.253 -6.125 2 H3 PRO 1 H1 PRO 1 19.281 -3.470 -5.571 3 HA PRO 1 HA PRO 1 21.851 -2.729 -5.433 4 HB2 PRO 1 HB2 PRO 1 20.433 -0.531 -6.886 5 HB3 PRO 1 HB3 PRO 1 22.175 -0.868 -6.768 6 HG2 PRO 1 HG2 PRO 1 21.033 -1.593 -8.923 7 HG3 PRO 1 HG3 PRO 1 21.923 -2.741 -8.177 8 HD2 PRO 1 HD2 PRO 1 18.842 -2.408 -7.606 9 HD3 PRO 1 HD3 PRO 1 19.458 -3.809 -8.176 10 H SER 2 H SER 2 18.464 -1.700 -5.390 11 HA SER 2 HA SER 2 18.790 -0.778 -2.642 12 HB2 SER 2 HB2 SER 2 19.021 1.250 -4.051 13 HB3 SER 2 HB3 SER 2 17.455 0.910 -4.784 14 HG SER 2 HG SER 2 17.292 2.427 -3.080 15 H HIS 3 H HIS 3 17.790 -2.983 -2.627 16 HA HIS 3 HA HIS 3 14.936 -3.082 -3.213 17 HB2 HIS 3 HB2 HIS 3 16.854 -5.153 -2.163 18 HB3 HIS 3 HB3 HIS 3 15.163 -5.457 -2.414 19 HD1 HIS 3 HD1 HIS 3 17.026 -7.227 -3.918 20 HD2 HIS 3 HD2 HIS 3 15.738 -3.571 -5.415 21 HE1 HIS 3 HE1 HIS 3 17.316 -7.382 -6.411 22 HE2 HIS 3 HE2 HIS 3 16.462 -5.187 -7.302 23 H SER 4 H SER 4 16.925 -2.195 -0.661 24 HA SER 4 HA SER 4 14.795 -2.495 1.323 25 HB2 SER 4 HB2 SER 4 16.329 -3.389 2.988 26 HB3 SER 4 HB3 SER 4 16.333 -4.439 1.573 27 HG SER 4 HG SER 4 18.300 -3.551 0.963 28 H GLY 5 H GLY 5 14.925 -1.067 3.091 29 HA2 GLY 5 HA2 GLY 5 17.008 0.934 3.220 30 HA3 GLY 5 HA3 GLY 5 15.455 1.546 2.674 31 H ALA 6 H ALA 6 14.166 2.320 4.188 32 HA ALA 6 HA ALA 6 13.920 0.976 6.758 33 HB1 ALA 6 HB1 ALA 6 15.671 2.624 7.180 34 HB2 ALA 6 HB2 ALA 6 14.197 3.008 8.067 35 HB3 ALA 6 HB3 ALA 6 14.608 3.911 6.604 36 H ALA 7 H ALA 7 11.809 0.903 7.350 37 HA ALA 7 HA ALA 7 9.959 2.976 6.438 38 HB1 ALA 7 HB1 ALA 7 8.373 1.339 5.545 39 HB2 ALA 7 HB2 ALA 7 9.547 0.062 5.823 40 HB3 ALA 7 HB3 ALA 7 9.894 1.336 4.658 41 H ILE 8 H ILE 8 7.988 3.084 7.583 42 HA ILE 8 HA ILE 8 7.868 1.536 10.099 43 HB ILE 8 HB ILE 8 6.747 4.296 9.507 44 HG12 ILE 8 HG12 ILE 8 8.891 3.488 11.479 45 HG13 ILE 8 HG13 ILE 8 9.212 4.161 9.895 46 HG21 ILE 8 HG21 ILE 8 5.230 3.074 10.988 47 HG22 ILE 8 HG22 ILE 8 6.040 4.380 11.854 48 HG23 ILE 8 HG23 ILE 8 6.572 2.713 12.076 49 HD11 ILE 8 HD11 ILE 8 7.687 5.572 12.070 50 HD12 ILE 8 HD12 ILE 8 8.215 6.252 10.528 51 HD13 ILE 8 HD13 ILE 8 9.407 5.789 11.741 52 H PHE 9 H PHE 9 5.981 0.492 10.634 53 HA PHE 9 HA PHE 9 3.634 0.737 8.917 54 HB2 PHE 9 HB2 PHE 9 5.101 -1.075 7.964 55 HB3 PHE 9 HB3 PHE 9 4.914 -1.959 9.466 56 HD1 PHE 9 HD1 PHE 9 3.153 -0.722 6.467 57 HD2 PHE 9 HD2 PHE 9 2.950 -3.237 9.897 58 HE1 PHE 9 HE1 PHE 9 1.114 -1.766 5.576 59 HE2 PHE 9 HE2 PHE 9 0.916 -4.288 9.009 60 HZ PHE 9 HZ PHE 9 0.006 -3.574 6.839 61 H GLU 10 H GLU 10 1.927 0.930 10.169 62 HA GLU 10 HA GLU 10 0.501 0.922 11.926 63 HB2 GLU 10 HB2 GLU 10 1.840 -1.708 12.551 64 HB3 GLU 10 HB3 GLU 10 0.388 -1.127 13.349 65 HG2 GLU 10 HG2 GLU 10 -0.742 -1.069 11.155 66 HG3 GLU 10 HG3 GLU 10 0.701 -1.769 10.425 67 H LYS 11 H LYS 11 2.787 2.427 12.223 68 HA LYS 11 HA LYS 11 3.724 3.851 13.708 69 HB2 LYS 11 HB2 LYS 11 1.929 2.500 15.721 70 HB3 LYS 11 HB3 LYS 11 2.930 3.902 16.076 71 HG2 LYS 11 HG2 LYS 11 1.729 5.128 14.268 72 HG3 LYS 11 HG3 LYS 11 0.654 3.748 14.104 73 HD2 LYS 11 HD2 LYS 11 1.046 5.285 16.668 74 HD3 LYS 11 HD3 LYS 11 -0.239 5.625 15.511 75 HE2 LYS 11 HE2 LYS 11 0.185 2.999 16.928 76 HE3 LYS 11 HE3 LYS 11 -1.004 4.215 17.390 77 HZ1 LYS 11 HZ1 LYS 11 -2.075 3.917 15.238 78 HZ2 LYS 11 HZ2 LYS 11 -2.005 2.452 16.077 79 HZ3 LYS 11 HZ3 LYS 11 -0.931 2.747 14.805 80 H VAL 12 H VAL 12 4.280 0.569 13.844 81 HA VAL 12 HA VAL 12 6.508 0.856 15.723 82 HB VAL 12 HB VAL 12 5.441 -1.637 14.359 83 HG11 VAL 12 HG11 VAL 12 6.900 -2.902 15.876 84 HG12 VAL 12 HG12 VAL 12 7.657 -1.388 16.367 85 HG13 VAL 12 HG13 VAL 12 7.782 -1.937 14.697 86 HG21 VAL 12 HG21 VAL 12 4.720 -2.347 16.597 87 HG22 VAL 12 HG22 VAL 12 3.906 -0.872 16.067 88 HG23 VAL 12 HG23 VAL 12 5.220 -0.783 17.242 89 H SER 13 H SER 13 8.448 1.386 15.007 90 HA SER 13 HA SER 13 8.865 1.705 12.172 91 HB2 SER 13 HB2 SER 13 9.582 3.511 13.619 92 HB3 SER 13 HB3 SER 13 10.616 2.408 14.532 93 HG SER 13 HG SER 13 11.020 3.590 12.058 94 H GLY 14 H GLY 14 10.334 0.742 10.888 95 HA2 GLY 14 HA2 GLY 14 12.120 -1.293 11.918 96 HA3 GLY 14 HA3 GLY 14 10.764 -1.903 10.991 97 H ILE 15 H ILE 15 12.253 -2.772 9.539 98 HA ILE 15 HA ILE 15 13.316 -0.821 7.606 99 HB ILE 15 HB ILE 15 14.606 -3.316 8.704 100 HG12 ILE 15 HG12 ILE 15 15.881 -0.613 8.237 101 HG13 ILE 15 HG13 ILE 15 15.053 -1.035 9.719 102 HG21 ILE 15 HG21 ILE 15 14.784 -3.634 6.337 103 HG22 ILE 15 HG22 ILE 15 16.366 -3.184 6.982 104 HG23 ILE 15 HG23 ILE 15 15.395 -1.992 6.117 105 HD11 ILE 15 HD11 ILE 15 17.573 -2.274 8.646 106 HD12 ILE 15 HD12 ILE 15 16.701 -2.861 10.063 107 HD13 ILE 15 HD13 ILE 15 17.400 -1.241 10.065 108 H ILE 16 H ILE 16 12.910 -1.253 5.468 109 HA ILE 16 HA ILE 16 11.082 -3.474 4.919 110 HB ILE 16 HB ILE 16 10.481 -1.002 4.458 111 HG12 ILE 16 HG12 ILE 16 10.036 -2.856 2.125 112 HG13 ILE 16 HG13 ILE 16 9.327 -3.168 3.699 113 HG21 ILE 16 HG21 ILE 16 11.794 -1.378 1.785 114 HG22 ILE 16 HG22 ILE 16 12.664 -0.607 3.119 115 HG23 ILE 16 HG23 ILE 16 11.156 0.101 2.524 116 HD11 ILE 16 HD11 ILE 16 7.691 -2.104 2.328 117 HD12 ILE 16 HD12 ILE 16 8.802 -0.800 1.913 118 HD13 ILE 16 HD13 ILE 16 8.197 -0.953 3.561 119 H ALA 17 H ALA 17 11.523 -5.044 3.470 120 HA ALA 17 HA ALA 17 13.933 -4.825 1.804 121 HB1 ALA 17 HB1 ALA 17 13.261 -7.228 3.503 122 HB2 ALA 17 HB2 ALA 17 14.575 -6.089 3.799 123 HB3 ALA 17 HB3 ALA 17 14.599 -7.108 2.360 124 H ILE 18 H ILE 18 13.776 -5.734 -0.196 125 HA ILE 18 HA ILE 18 11.203 -6.957 -0.875 126 HB ILE 18 HB ILE 18 13.249 -5.688 -2.705 127 HG12 ILE 18 HG12 ILE 18 10.385 -4.936 -2.238 128 HG13 ILE 18 HG13 ILE 18 11.693 -4.302 -1.266 129 HG21 ILE 18 HG21 ILE 18 12.229 -7.585 -3.851 130 HG22 ILE 18 HG22 ILE 18 11.671 -6.054 -4.526 131 HG23 ILE 18 HG23 ILE 18 10.626 -6.972 -3.436 132 HD11 ILE 18 HD11 ILE 18 11.162 -2.695 -2.945 133 HD12 ILE 18 HD12 ILE 18 11.245 -3.929 -4.203 134 HD13 ILE 18 HD13 ILE 18 12.718 -3.422 -3.365 135 H ASN 19 H ASN 19 11.026 -8.791 -1.895 136 HA ASN 19 HA ASN 19 13.211 -10.728 -1.518 137 HB2 ASN 19 HB2 ASN 19 10.616 -10.721 -0.404 138 HB3 ASN 19 HB3 ASN 19 10.534 -11.883 -1.718 139 HD21 ASN 19 HD21 ASN 19 10.265 -12.546 1.020 140 HD22 ASN 19 HD22 ASN 19 11.581 -13.579 1.449 141 H GLU 20 H GLU 20 14.106 -10.848 -3.554 142 HA GLU 20 HA GLU 20 12.332 -11.868 -5.669 143 HB2 GLU 20 HB2 GLU 20 14.823 -10.197 -6.041 144 HB3 GLU 20 HB3 GLU 20 13.906 -10.920 -7.341 145 HG2 GLU 20 HG2 GLU 20 12.035 -9.425 -5.945 146 HG3 GLU 20 HG3 GLU 20 13.492 -8.444 -5.910 147 H ASP 21 H ASP 21 13.681 -13.208 -7.341 148 HA ASP 21 HA ASP 21 14.800 -15.149 -7.793 149 HB2 ASP 21 HB2 ASP 21 16.411 -14.556 -5.296 150 HB3 ASP 21 HB3 ASP 21 16.773 -15.823 -6.452 151 H VAL 22 H VAL 22 12.783 -14.608 -5.389 152 HA VAL 22 HA VAL 22 12.706 -17.317 -4.281 153 HB VAL 22 HB VAL 22 11.105 -16.331 -2.606 154 HG11 VAL 22 HG11 VAL 22 13.863 -15.127 -2.790 155 HG12 VAL 22 HG12 VAL 22 13.405 -16.638 -1.998 156 HG13 VAL 22 HG13 VAL 22 12.853 -15.095 -1.342 157 HG21 VAL 22 HG21 VAL 22 10.326 -14.370 -3.894 158 HG22 VAL 22 HG22 VAL 22 11.938 -13.664 -3.780 159 HG23 VAL 22 HG23 VAL 22 10.974 -13.900 -2.323 160 H SER 23 H SER 23 10.150 -17.771 -3.663 161 HA SER 23 HA SER 23 8.670 -17.961 -6.133 162 HB2 SER 23 HB2 SER 23 6.965 -19.032 -4.784 163 HB3 SER 23 HB3 SER 23 8.523 -19.598 -4.194 164 HG SER 23 HG SER 23 7.615 -19.013 -2.359 165 HA PRO 24 HA PRO 24 7.161 -14.542 -7.268 166 HB2 PRO 24 HB2 PRO 24 4.588 -14.180 -5.778 167 HB3 PRO 24 HB3 PRO 24 4.935 -13.930 -7.493 168 HG2 PRO 24 HG2 PRO 24 3.744 -16.106 -6.730 169 HG3 PRO 24 HG3 PRO 24 4.896 -16.195 -7.884 170 HD2 PRO 24 HD2 PRO 24 5.099 -17.026 -5.144 171 HD3 PRO 24 HD3 PRO 24 5.837 -17.687 -6.443 172 H ALA 25 H ALA 25 8.007 -12.644 -6.905 173 HA ALA 25 HA ALA 25 9.343 -12.104 -4.608 174 HB1 ALA 25 HB1 ALA 25 9.767 -9.843 -5.539 175 HB2 ALA 25 HB2 ALA 25 8.565 -10.182 -6.786 176 HB3 ALA 25 HB3 ALA 25 10.032 -11.153 -6.688 177 H GLU 26 H GLU 26 9.086 -11.057 -2.775 178 HA GLU 26 HA GLU 26 6.520 -9.758 -2.278 179 HB2 GLU 26 HB2 GLU 26 6.300 -10.852 -0.137 180 HB3 GLU 26 HB3 GLU 26 6.450 -12.034 -1.395 181 HG2 GLU 26 HG2 GLU 26 8.781 -12.398 -0.797 182 HG3 GLU 26 HG3 GLU 26 8.609 -11.225 0.508 183 H LEU 27 H LEU 27 6.410 -8.104 -0.890 184 HA LEU 27 HA LEU 27 8.961 -6.814 -0.273 185 HB2 LEU 27 HB2 LEU 27 7.487 -5.532 -1.642 186 HB3 LEU 27 HB3 LEU 27 6.133 -5.840 -0.628 187 HG LEU 27 HG LEU 27 7.179 -4.357 1.080 188 HD11 LEU 27 HD11 LEU 27 9.068 -3.569 -1.095 189 HD12 LEU 27 HD12 LEU 27 9.481 -4.451 0.375 190 HD13 LEU 27 HD13 LEU 27 8.893 -2.794 0.480 191 HD21 LEU 27 HD21 LEU 27 6.614 -2.238 -0.027 192 HD22 LEU 27 HD22 LEU 27 5.402 -3.493 -0.268 193 HD23 LEU 27 HD23 LEU 27 6.529 -3.103 -1.562 194 H THR 28 H THR 28 9.686 -7.304 1.639 195 HA THR 28 HA THR 28 7.795 -8.059 3.760 196 HB THR 28 HB THR 28 10.719 -8.792 3.427 197 HG1 THR 28 HG1 THR 28 8.287 -10.164 2.909 198 HG21 THR 28 HG21 THR 28 10.264 -10.449 5.218 199 HG22 THR 28 HG22 THR 28 8.679 -9.715 5.463 200 HG23 THR 28 HG23 THR 28 10.148 -8.783 5.792 201 H TRP 29 H TRP 29 7.383 -6.350 5.031 202 HA TRP 29 HA TRP 29 9.513 -4.632 5.983 203 HB2 TRP 29 HB2 TRP 29 7.289 -3.627 5.676 204 HB3 TRP 29 HB3 TRP 29 6.595 -4.780 6.803 205 HD1 TRP 29 HD1 TRP 29 8.664 -1.577 6.701 206 HE1 TRP 29 HE1 TRP 29 8.842 -0.591 9.070 207 HE3 TRP 29 HE3 TRP 29 6.525 -5.402 9.354 208 HZ2 TRP 29 HZ2 TRP 29 8.176 -1.339 11.718 209 HZ3 TRP 29 HZ3 TRP 29 6.337 -5.173 11.796 210 HH2 TRP 29 HH2 TRP 29 7.142 -3.176 12.947 211 H ARG 30 H ARG 30 10.608 -4.862 7.810 212 HA ARG 30 HA ARG 30 9.595 -6.726 9.846 213 HB2 ARG 30 HB2 ARG 30 12.462 -6.349 8.985 214 HB3 ARG 30 HB3 ARG 30 11.966 -7.224 10.418 215 HG2 ARG 30 HG2 ARG 30 10.731 -8.807 9.022 216 HG3 ARG 30 HG3 ARG 30 11.290 -7.954 7.587 217 HD2 ARG 30 HD2 ARG 30 12.758 -9.723 7.796 218 HD3 ARG 30 HD3 ARG 30 13.641 -8.381 8.509 219 HE ARG 30 HE ARG 30 12.121 -10.133 10.286 220 HH11 ARG 30 HH11 ARG 30 15.274 -9.117 9.109 221 HH12 ARG 30 HH12 ARG 30 16.127 -9.853 10.423 222 HH21 ARG 30 HH21 ARG 30 13.261 -11.086 11.994 223 HH22 ARG 30 HH22 ARG 30 14.987 -10.965 12.055 224 H SER 31 H SER 31 9.970 -6.138 11.990 225 HA SER 31 HA SER 31 10.220 -3.369 12.592 226 HB2 SER 31 HB2 SER 31 10.106 -4.096 14.928 227 HB3 SER 31 HB3 SER 31 8.886 -4.907 13.964 228 HG SER 31 HG SER 31 10.121 -6.759 14.008 229 H THR 32 H THR 32 11.918 -2.481 14.069 230 HA THR 32 HA THR 32 14.372 -2.520 12.777 231 HB THR 32 HB THR 32 15.274 -1.366 14.879 232 HG1 THR 32 HG1 THR 32 13.226 -2.380 16.016 233 HG21 THR 32 HG21 THR 32 14.177 0.700 14.342 234 HG22 THR 32 HG22 THR 32 12.802 -0.150 13.644 235 HG23 THR 32 HG23 THR 32 14.375 -0.213 12.843 236 H ASP 33 H ASP 33 13.307 -4.651 15.301 237 HA ASP 33 HA ASP 33 15.990 -5.836 15.498 238 HB2 ASP 33 HB2 ASP 33 13.490 -6.540 17.058 239 HB3 ASP 33 HB3 ASP 33 15.107 -7.174 17.342 240 H GLY 34 H GLY 34 12.764 -6.405 14.305 241 HA2 GLY 34 HA2 GLY 34 12.271 -7.746 12.432 242 HA3 GLY 34 HA3 GLY 34 13.695 -8.716 12.739 243 H ASP 35 H ASP 35 11.774 -8.025 15.495 244 HA ASP 35 HA ASP 35 10.880 -10.740 15.781 245 HB2 ASP 35 HB2 ASP 35 9.867 -9.959 17.876 246 HB3 ASP 35 HB3 ASP 35 11.518 -9.369 17.734 247 H LYS 36 H LYS 36 9.513 -7.717 14.681 248 HA LYS 36 HA LYS 36 6.949 -9.033 14.085 249 HB2 LYS 36 HB2 LYS 36 7.683 -6.087 13.965 250 HB3 LYS 36 HB3 LYS 36 6.101 -6.769 13.644 251 HG2 LYS 36 HG2 LYS 36 5.925 -7.505 15.932 252 HG3 LYS 36 HG3 LYS 36 7.550 -6.899 16.272 253 HD2 LYS 36 HD2 LYS 36 6.798 -4.643 15.614 254 HD3 LYS 36 HD3 LYS 36 5.161 -5.281 15.419 255 HE2 LYS 36 HE2 LYS 36 5.252 -4.280 17.570 256 HE3 LYS 36 HE3 LYS 36 5.263 -6.029 17.801 257 HZ1 LYS 36 HZ1 LYS 36 7.646 -4.257 17.886 258 HZ2 LYS 36 HZ2 LYS 36 7.661 -5.935 18.104 259 HZ3 LYS 36 HZ3 LYS 36 6.878 -4.944 19.228 260 H VAL 37 H VAL 37 6.277 -9.283 11.957 261 HA VAL 37 HA VAL 37 7.865 -8.132 9.823 262 HB VAL 37 HB VAL 37 9.195 -10.069 10.276 263 HG11 VAL 37 HG11 VAL 37 7.635 -11.473 11.476 264 HG12 VAL 37 HG12 VAL 37 8.373 -12.376 10.153 265 HG13 VAL 37 HG13 VAL 37 6.723 -11.772 9.996 266 HG21 VAL 37 HG21 VAL 37 7.653 -10.905 7.850 267 HG22 VAL 37 HG22 VAL 37 9.396 -10.965 8.144 268 HG23 VAL 37 HG23 VAL 37 8.597 -9.418 7.872 269 H HIS 38 H HIS 38 6.678 -7.617 8.112 270 HA HIS 38 HA HIS 38 4.107 -8.984 7.629 271 HB2 HIS 38 HB2 HIS 38 4.755 -6.046 7.230 272 HB3 HIS 38 HB3 HIS 38 3.253 -6.815 6.742 273 HD1 HIS 38 HD1 HIS 38 1.590 -7.480 8.646 274 HD2 HIS 38 HD2 HIS 38 4.961 -5.424 9.938 275 HE1 HIS 38 HE1 HIS 38 1.079 -6.763 11.003 276 HE2 HIS 38 HE2 HIS 38 3.157 -5.572 11.784 277 H THR 39 H THR 39 3.560 -9.344 5.414 278 HA THR 39 HA THR 39 5.814 -9.042 3.540 279 HB THR 39 HB THR 39 4.744 -11.495 4.635 280 HG1 THR 39 HG1 THR 39 7.001 -10.749 4.250 281 HG21 THR 39 HG21 THR 39 4.847 -11.344 1.623 282 HG22 THR 39 HG22 THR 39 3.376 -11.539 2.580 283 HG23 THR 39 HG23 THR 39 4.606 -12.805 2.582 284 H VAL 40 H VAL 40 5.288 -8.173 1.638 285 HA VAL 40 HA VAL 40 2.500 -8.345 0.679 286 HB VAL 40 HB VAL 40 4.649 -6.283 0.150 287 HG11 VAL 40 HG11 VAL 40 3.028 -6.695 -1.792 288 HG12 VAL 40 HG12 VAL 40 3.228 -5.033 -1.222 289 HG13 VAL 40 HG13 VAL 40 1.810 -5.967 -0.743 290 HG21 VAL 40 HG21 VAL 40 2.101 -6.084 1.706 291 HG22 VAL 40 HG22 VAL 40 3.161 -4.731 1.311 292 HG23 VAL 40 HG23 VAL 40 3.748 -6.039 2.339 293 H VAL 41 H VAL 41 2.417 -10.071 -0.748 294 HA VAL 41 HA VAL 41 4.560 -10.684 -2.590 295 HB VAL 41 HB VAL 41 1.715 -11.774 -2.438 296 HG11 VAL 41 HG11 VAL 41 2.526 -13.603 -3.882 297 HG12 VAL 41 HG12 VAL 41 4.076 -12.778 -4.050 298 HG13 VAL 41 HG13 VAL 41 2.610 -12.041 -4.698 299 HG21 VAL 41 HG21 VAL 41 3.093 -12.326 -0.479 300 HG22 VAL 41 HG22 VAL 41 4.335 -12.995 -1.540 301 HG23 VAL 41 HG23 VAL 41 2.746 -13.758 -1.447 302 H LEU 42 H LEU 42 4.866 -9.618 -4.480 303 HA LEU 42 HA LEU 42 3.052 -7.512 -5.154 304 HB2 LEU 42 HB2 LEU 42 5.657 -8.376 -6.389 305 HB3 LEU 42 HB3 LEU 42 4.684 -7.121 -7.103 306 HG LEU 42 HG LEU 42 6.275 -5.918 -5.934 307 HD11 LEU 42 HD11 LEU 42 4.035 -5.151 -5.332 308 HD12 LEU 42 HD12 LEU 42 5.211 -4.858 -4.053 309 HD13 LEU 42 HD13 LEU 42 4.080 -6.190 -3.912 310 HD21 LEU 42 HD21 LEU 42 6.002 -7.764 -3.577 311 HD22 LEU 42 HD22 LEU 42 7.109 -6.400 -3.720 312 HD23 LEU 42 HD23 LEU 42 7.302 -7.806 -4.767 313 H SER 43 H SER 43 3.420 -10.737 -6.310 314 HA SER 43 HA SER 43 2.208 -10.410 -8.878 315 HB2 SER 43 HB2 SER 43 2.017 -12.816 -8.902 316 HB3 SER 43 HB3 SER 43 3.530 -12.412 -8.102 317 HG SER 43 HG SER 43 1.449 -13.801 -7.138 318 H THR 44 H THR 44 1.034 -9.843 -5.857 319 HA THR 44 HA THR 44 -1.774 -10.344 -6.598 320 HB THR 44 HB THR 44 -2.319 -10.361 -4.213 321 HG1 THR 44 HG1 THR 44 -0.931 -9.740 -2.732 322 HG21 THR 44 HG21 THR 44 -0.024 -12.217 -4.825 323 HG22 THR 44 HG22 THR 44 -1.719 -12.502 -5.233 324 HG23 THR 44 HG23 THR 44 -1.216 -12.444 -3.541 325 H ILE 45 H ILE 45 0.485 -7.986 -6.494 326 HA ILE 45 HA ILE 45 -1.267 -5.825 -5.519 327 HB ILE 45 HB ILE 45 1.723 -5.874 -6.028 328 HG12 ILE 45 HG12 ILE 45 1.131 -7.155 -4.036 329 HG13 ILE 45 HG13 ILE 45 1.973 -5.688 -3.579 330 HG21 ILE 45 HG21 ILE 45 1.934 -3.668 -5.181 331 HG22 ILE 45 HG22 ILE 45 0.227 -3.607 -4.732 332 HG23 ILE 45 HG23 ILE 45 0.690 -3.630 -6.433 333 HD11 ILE 45 HD11 ILE 45 -1.016 -6.046 -3.421 334 HD12 ILE 45 HD12 ILE 45 -0.074 -4.693 -2.795 335 HD13 ILE 45 HD13 ILE 45 0.094 -6.296 -2.081 336 H ASP 46 H ASP 46 -1.637 -3.979 -6.807 337 HA ASP 46 HA ASP 46 -1.183 -4.376 -9.698 338 HB2 ASP 46 HB2 ASP 46 -3.546 -4.636 -9.027 339 HB3 ASP 46 HB3 ASP 46 -3.535 -3.027 -8.337 340 H LYS 47 H LYS 47 -1.576 -1.826 -7.192 341 HA LYS 47 HA LYS 47 0.035 -0.048 -8.843 342 HB2 LYS 47 HB2 LYS 47 -2.475 0.550 -7.270 343 HB3 LYS 47 HB3 LYS 47 -1.456 1.783 -7.992 344 HG2 LYS 47 HG2 LYS 47 -1.816 0.767 -10.172 345 HG3 LYS 47 HG3 LYS 47 -2.919 -0.363 -9.410 346 HD2 LYS 47 HD2 LYS 47 -4.421 1.408 -8.785 347 HD3 LYS 47 HD3 LYS 47 -3.279 2.627 -9.346 348 HE2 LYS 47 HE2 LYS 47 -4.843 2.490 -11.063 349 HE3 LYS 47 HE3 LYS 47 -3.496 1.510 -11.635 350 HZ1 LYS 47 HZ1 LYS 47 -4.686 -0.472 -10.904 351 HZ2 LYS 47 HZ2 LYS 47 -5.601 0.402 -12.026 352 HZ3 LYS 47 HZ3 LYS 47 -5.984 0.479 -10.379 353 H LEU 48 H LEU 48 0.868 1.863 -7.570 354 HA LEU 48 HA LEU 48 1.315 1.420 -4.704 355 HB2 LEU 48 HB2 LEU 48 3.865 2.180 -5.570 356 HB3 LEU 48 HB3 LEU 48 3.409 0.608 -4.963 357 HG LEU 48 HG LEU 48 2.829 0.027 -7.381 358 HD11 LEU 48 HD11 LEU 48 4.833 1.721 -8.487 359 HD12 LEU 48 HD12 LEU 48 3.575 2.729 -7.765 360 HD13 LEU 48 HD13 LEU 48 3.151 1.529 -8.983 361 HD21 LEU 48 HD21 LEU 48 5.668 0.563 -6.586 362 HD22 LEU 48 HD22 LEU 48 5.113 -0.568 -7.815 363 HD23 LEU 48 HD23 LEU 48 4.715 -0.851 -6.123 364 H GLN 49 H GLN 49 1.281 3.346 -3.638 365 HA GLN 49 HA GLN 49 1.522 5.822 -5.215 366 HB2 GLN 49 HB2 GLN 49 -0.559 5.141 -3.136 367 HB3 GLN 49 HB3 GLN 49 -0.377 6.715 -3.854 368 HG2 GLN 49 HG2 GLN 49 -1.114 4.176 -5.285 369 HG3 GLN 49 HG3 GLN 49 -2.205 5.488 -4.864 370 HE21 GLN 49 HE21 GLN 49 -1.400 4.250 -7.458 371 HE22 GLN 49 HE22 GLN 49 -0.895 5.574 -8.446 372 H ALA 50 H ALA 50 3.171 7.015 -4.467 373 HA ALA 50 HA ALA 50 3.855 6.888 -1.600 374 HB1 ALA 50 HB1 ALA 50 5.635 7.501 -3.947 375 HB2 ALA 50 HB2 ALA 50 5.578 5.980 -3.051 376 HB3 ALA 50 HB3 ALA 50 6.145 7.447 -2.257 377 H THR 51 H THR 51 4.481 8.765 -0.490 378 HA THR 51 HA THR 51 3.071 11.154 -1.112 379 HB THR 51 HB THR 51 4.271 12.169 0.813 380 HG1 THR 51 HG1 THR 51 6.239 11.148 0.821 381 HG21 THR 51 HG21 THR 51 3.421 10.500 2.537 382 HG22 THR 51 HG22 THR 51 2.996 9.444 1.189 383 HG23 THR 51 HG23 THR 51 2.236 11.031 1.343 384 HA PRO 52 HA PRO 52 6.092 12.976 -4.037 385 HB2 PRO 52 HB2 PRO 52 4.618 15.435 -3.225 386 HB3 PRO 52 HB3 PRO 52 5.042 14.865 -4.840 387 HG2 PRO 52 HG2 PRO 52 2.604 14.617 -3.952 388 HG3 PRO 52 HG3 PRO 52 3.262 13.429 -4.859 389 HD2 PRO 52 HD2 PRO 52 2.815 13.396 -1.996 390 HD3 PRO 52 HD3 PRO 52 2.737 12.126 -3.020 391 H ALA 53 H ALA 53 7.802 14.538 -3.951 392 HA ALA 53 HA ALA 53 9.013 14.826 -1.380 393 HB1 ALA 53 HB1 ALA 53 10.841 15.916 -2.587 394 HB2 ALA 53 HB2 ALA 53 9.852 15.949 -4.048 395 HB3 ALA 53 HB3 ALA 53 10.353 14.405 -3.354 396 H SER 54 H SER 54 6.673 16.621 -2.904 397 HA SER 54 HA SER 54 7.321 19.105 -1.490 398 HB2 SER 54 HB2 SER 54 5.445 20.073 -2.749 399 HB3 SER 54 HB3 SER 54 6.618 19.330 -3.836 400 HG SER 54 HG SER 54 4.121 18.275 -2.999 401 H SER 55 H SER 55 5.425 16.279 -1.232 402 HA SER 55 HA SER 55 3.249 17.228 0.300 403 HB2 SER 55 HB2 SER 55 2.994 15.184 -0.845 404 HB3 SER 55 HB3 SER 55 4.409 14.477 -0.064 405 HG SER 55 HG SER 55 2.055 15.318 1.281 406 H GLU 56 H GLU 56 2.892 17.398 2.426 407 HA GLU 56 HA GLU 56 4.974 17.710 4.303 408 HB2 GLU 56 HB2 GLU 56 2.041 17.233 4.769 409 HB3 GLU 56 HB3 GLU 56 3.164 17.851 5.968 410 HG2 GLU 56 HG2 GLU 56 2.215 19.792 5.247 411 HG3 GLU 56 HG3 GLU 56 3.576 19.689 4.134 412 H LYS 57 H LYS 57 3.539 14.950 3.102 413 HA LYS 57 HA LYS 57 3.678 13.372 5.527 414 HB2 LYS 57 HB2 LYS 57 2.618 12.778 2.780 415 HB3 LYS 57 HB3 LYS 57 2.504 11.725 4.134 416 HG2 LYS 57 HG2 LYS 57 1.200 14.384 3.896 417 HG3 LYS 57 HG3 LYS 57 0.426 12.848 3.636 418 HD2 LYS 57 HD2 LYS 57 0.869 12.278 6.015 419 HD3 LYS 57 HD3 LYS 57 1.519 13.917 6.240 420 HE2 LYS 57 HE2 LYS 57 -0.566 14.874 5.566 421 HE3 LYS 57 HE3 LYS 57 -1.265 13.278 5.259 422 HZ1 LYS 57 HZ1 LYS 57 -0.976 12.789 7.636 423 HZ2 LYS 57 HZ2 LYS 57 -1.985 14.124 7.391 424 HZ3 LYS 57 HZ3 LYS 57 -0.385 14.353 7.891 425 H MET 58 H MET 58 4.875 11.529 5.767 426 HA MET 58 HA MET 58 6.612 10.714 3.528 427 HB2 MET 58 HB2 MET 58 7.190 10.362 6.479 428 HB3 MET 58 HB3 MET 58 8.220 9.854 5.164 429 HG2 MET 58 HG2 MET 58 7.520 12.697 5.866 430 HG3 MET 58 HG3 MET 58 9.046 11.887 6.205 431 HE1 MET 58 HE1 MET 58 10.626 11.472 2.673 432 HE2 MET 58 HE2 MET 58 9.612 10.260 3.471 433 HE3 MET 58 HE3 MET 58 10.786 11.188 4.409 434 H MET 59 H MET 59 5.387 9.143 2.643 435 HA MET 59 HA MET 59 4.863 6.720 4.102 436 HB2 MET 59 HB2 MET 59 2.573 8.290 2.942 437 HB3 MET 59 HB3 MET 59 2.459 6.690 3.615 438 HG2 MET 59 HG2 MET 59 3.043 7.557 5.784 439 HG3 MET 59 HG3 MET 59 3.213 9.176 5.143 440 HE1 MET 59 HE1 MET 59 0.581 6.180 5.593 441 HE2 MET 59 HE2 MET 59 -0.717 7.065 6.380 442 HE3 MET 59 HE3 MET 59 0.853 6.902 7.177 443 H LEU 60 H LEU 60 4.228 4.965 2.777 444 HA LEU 60 HA LEU 60 4.240 5.384 -0.125 445 HB2 LEU 60 HB2 LEU 60 6.489 4.706 0.383 446 HB3 LEU 60 HB3 LEU 60 5.929 3.428 1.432 447 HG LEU 60 HG LEU 60 5.026 2.248 -0.573 448 HD11 LEU 60 HD11 LEU 60 6.556 4.279 -2.165 449 HD12 LEU 60 HD12 LEU 60 4.806 4.313 -1.932 450 HD13 LEU 60 HD13 LEU 60 5.554 2.944 -2.756 451 HD21 LEU 60 HD21 LEU 60 7.170 1.567 -1.531 452 HD22 LEU 60 HD22 LEU 60 7.216 1.607 0.237 453 HD23 LEU 60 HD23 LEU 60 7.961 2.912 -0.694 454 H ARG 61 H ARG 61 2.402 4.548 -0.908 455 HA ARG 61 HA ARG 61 0.997 2.536 0.689 456 HB2 ARG 61 HB2 ARG 61 -0.196 4.658 0.203 457 HB3 ARG 61 HB3 ARG 61 -0.139 4.273 -1.505 458 HG2 ARG 61 HG2 ARG 61 -1.525 2.356 -1.189 459 HG3 ARG 61 HG3 ARG 61 -1.469 2.555 0.558 460 HD2 ARG 61 HD2 ARG 61 -3.589 3.376 -0.276 461 HD3 ARG 61 HD3 ARG 61 -2.619 4.727 0.295 462 HE ARG 61 HE ARG 61 -2.231 4.319 -2.480 463 HH11 ARG 61 HH11 ARG 61 -4.550 5.649 -0.201 464 HH12 ARG 61 HH12 ARG 61 -5.290 6.683 -1.376 465 HH21 ARG 61 HH21 ARG 61 -3.241 5.672 -4.013 466 HH22 ARG 61 HH22 ARG 61 -4.545 6.700 -3.526 467 H LEU 62 H LEU 62 0.228 0.659 -0.141 468 HA LEU 62 HA LEU 62 1.149 -0.145 -2.823 469 HB2 LEU 62 HB2 LEU 62 1.418 -1.476 -0.168 470 HB3 LEU 62 HB3 LEU 62 1.171 -2.485 -1.570 471 HG LEU 62 HG LEU 62 3.503 -2.447 -1.027 472 HD11 LEU 62 HD11 LEU 62 2.928 -2.518 -3.369 473 HD12 LEU 62 HD12 LEU 62 4.462 -1.686 -3.111 474 HD13 LEU 62 HD13 LEU 62 3.002 -0.758 -3.455 475 HD21 LEU 62 HD21 LEU 62 3.544 -0.274 0.186 476 HD22 LEU 62 HD22 LEU 62 3.529 0.548 -1.373 477 HD23 LEU 62 HD23 LEU 62 4.884 -0.500 -0.941 478 H ILE 63 H ILE 63 -0.591 -0.379 -4.046 479 HA ILE 63 HA ILE 63 -3.207 -0.934 -2.877 480 HB ILE 63 HB ILE 63 -2.418 -0.187 -5.691 481 HG12 ILE 63 HG12 ILE 63 -3.690 1.528 -3.549 482 HG13 ILE 63 HG13 ILE 63 -2.051 1.689 -4.141 483 HG21 ILE 63 HG21 ILE 63 -5.192 -0.298 -4.532 484 HG22 ILE 63 HG22 ILE 63 -4.516 -1.419 -5.716 485 HG23 ILE 63 HG23 ILE 63 -4.769 0.274 -6.150 486 HD11 ILE 63 HD11 ILE 63 -3.440 3.422 -5.044 487 HD12 ILE 63 HD12 ILE 63 -4.568 2.229 -5.693 488 HD13 ILE 63 HD13 ILE 63 -2.924 2.341 -6.335 489 H GLY 64 H GLY 64 -4.328 -2.795 -3.154 490 HA2 GLY 64 HA2 GLY 64 -2.873 -5.071 -4.233 491 HA3 GLY 64 HA3 GLY 64 -4.295 -5.136 -3.214 492 H LYS 65 H LYS 65 -4.024 -6.774 -5.378 493 HA LYS 65 HA LYS 65 -5.446 -5.734 -7.655 494 HB2 LYS 65 HB2 LYS 65 -3.709 -7.433 -7.918 495 HB3 LYS 65 HB3 LYS 65 -4.657 -8.564 -6.959 496 HG2 LYS 65 HG2 LYS 65 -6.402 -8.573 -8.620 497 HG3 LYS 65 HG3 LYS 65 -5.549 -7.347 -9.559 498 HD2 LYS 65 HD2 LYS 65 -3.703 -8.890 -9.903 499 HD3 LYS 65 HD3 LYS 65 -4.539 -10.114 -8.956 500 HE2 LYS 65 HE2 LYS 65 -6.378 -10.089 -10.591 501 HE3 LYS 65 HE3 LYS 65 -5.525 -8.865 -11.522 502 HZ1 LYS 65 HZ1 LYS 65 -4.593 -11.637 -11.010 503 HZ2 LYS 65 HZ2 LYS 65 -3.734 -10.464 -11.875 504 HZ3 LYS 65 HZ3 LYS 65 -5.208 -11.044 -12.470 505 H VAL 66 H VAL 66 -7.562 -5.953 -8.149 506 HA VAL 66 HA VAL 66 -9.310 -6.721 -5.951 507 HB VAL 66 HB VAL 66 -10.018 -5.236 -8.496 508 HG11 VAL 66 HG11 VAL 66 -12.095 -4.656 -7.331 509 HG12 VAL 66 HG12 VAL 66 -11.604 -5.668 -5.975 510 HG13 VAL 66 HG13 VAL 66 -11.922 -6.398 -7.549 511 HG21 VAL 66 HG21 VAL 66 -9.542 -4.123 -5.733 512 HG22 VAL 66 HG22 VAL 66 -10.168 -3.218 -7.113 513 HG23 VAL 66 HG23 VAL 66 -8.530 -3.861 -7.153 514 H ASP 67 H ASP 67 -10.600 -8.419 -5.993 515 HA ASP 67 HA ASP 67 -11.109 -9.802 -8.535 516 HB2 ASP 67 HB2 ASP 67 -10.186 -11.158 -6.620 517 HB3 ASP 67 HB3 ASP 67 -11.663 -10.814 -5.728 518 H GLU 68 H GLU 68 -12.665 -8.384 -9.325 519 HA GLU 68 HA GLU 68 -14.971 -7.721 -7.689 520 HB2 GLU 68 HB2 GLU 68 -15.647 -6.273 -9.529 521 HB3 GLU 68 HB3 GLU 68 -13.963 -5.991 -9.118 522 HG2 GLU 68 HG2 GLU 68 -13.270 -7.360 -11.050 523 HG3 GLU 68 HG3 GLU 68 -14.968 -7.609 -11.455 524 H SER 69 H SER 69 -14.184 -10.358 -9.517 525 HA SER 69 HA SER 69 -16.724 -10.887 -10.759 526 HB2 SER 69 HB2 SER 69 -15.801 -13.074 -11.291 527 HB3 SER 69 HB3 SER 69 -14.586 -11.836 -11.608 528 HG SER 69 HG SER 69 -13.424 -13.178 -10.439 529 H LYS 70 H LYS 70 -15.610 -11.030 -7.599 530 HA LYS 70 HA LYS 70 -17.498 -13.073 -6.691 531 HB2 LYS 70 HB2 LYS 70 -15.361 -11.459 -5.288 532 HB3 LYS 70 HB3 LYS 70 -16.447 -12.532 -4.432 533 HG2 LYS 70 HG2 LYS 70 -15.632 -14.420 -5.724 534 HG3 LYS 70 HG3 LYS 70 -14.572 -13.358 -6.636 535 HD2 LYS 70 HD2 LYS 70 -13.314 -12.846 -4.607 536 HD3 LYS 70 HD3 LYS 70 -14.425 -13.810 -3.638 537 HE2 LYS 70 HE2 LYS 70 -13.582 -15.815 -4.451 538 HE3 LYS 70 HE3 LYS 70 -12.954 -15.063 -5.917 539 HZ1 LYS 70 HZ1 LYS 70 -11.244 -13.989 -4.591 540 HZ2 LYS 70 HZ2 LYS 70 -11.173 -15.669 -4.405 541 HZ3 LYS 70 HZ3 LYS 70 -11.847 -14.710 -3.184 542 H LYS 71 H LYS 71 -18.574 -10.765 -7.860 543 HA LYS 71 HA LYS 71 -19.284 -8.564 -6.462 544 HB2 LYS 71 HB2 LYS 71 -21.083 -10.181 -8.277 545 HB3 LYS 71 HB3 LYS 71 -21.454 -8.562 -7.723 546 HG2 LYS 71 HG2 LYS 71 -19.470 -7.720 -8.875 547 HG3 LYS 71 HG3 LYS 71 -19.124 -9.345 -9.450 548 HD2 LYS 71 HD2 LYS 71 -21.288 -9.368 -10.623 549 HD3 LYS 71 HD3 LYS 71 -21.591 -7.718 -10.074 550 HE2 LYS 71 HE2 LYS 71 -19.623 -6.943 -11.272 551 HE3 LYS 71 HE3 LYS 71 -19.273 -8.599 -11.769 552 HZ1 LYS 71 HZ1 LYS 71 -21.339 -8.634 -13.013 553 HZ2 LYS 71 HZ2 LYS 71 -20.368 -7.349 -13.529 554 HZ3 LYS 71 HZ3 LYS 71 -21.694 -7.052 -12.524 555 H ARG 72 H ARG 72 -20.209 -8.121 -4.636 556 HA ARG 72 HA ARG 72 -21.810 -10.147 -3.250 557 HB2 ARG 72 HB2 ARG 72 -20.226 -7.747 -2.312 558 HB3 ARG 72 HB3 ARG 72 -21.277 -8.649 -1.241 559 HG2 ARG 72 HG2 ARG 72 -19.888 -10.678 -1.716 560 HG3 ARG 72 HG3 ARG 72 -18.794 -9.647 -2.642 561 HD2 ARG 72 HD2 ARG 72 -17.913 -9.941 -0.418 562 HD3 ARG 72 HD3 ARG 72 -18.445 -8.271 -0.614 563 HE ARG 72 HE ARG 72 -19.846 -10.347 0.933 564 HH11 ARG 72 HH11 ARG 72 -19.330 -6.948 0.203 565 HH12 ARG 72 HH12 ARG 72 -20.314 -6.400 1.519 566 HH21 ARG 72 HH21 ARG 72 -21.129 -9.604 2.644 567 HH22 ARG 72 HH22 ARG 72 -21.329 -7.902 2.899 568 H LYS 73 H LYS 73 -23.790 -9.547 -2.225 569 HA LYS 73 HA LYS 73 -24.979 -7.011 -3.133 570 HB2 LYS 73 HB2 LYS 73 -26.346 -9.708 -2.978 571 HB3 LYS 73 HB3 LYS 73 -27.171 -8.189 -3.277 572 HG2 LYS 73 HG2 LYS 73 -25.854 -7.879 -5.312 573 HG3 LYS 73 HG3 LYS 73 -25.072 -9.426 -5.018 574 HD2 LYS 73 HD2 LYS 73 -27.241 -10.543 -5.160 575 HD3 LYS 73 HD3 LYS 73 -28.013 -8.989 -5.475 576 HE2 LYS 73 HE2 LYS 73 -26.679 -8.732 -7.501 577 HE3 LYS 73 HE3 LYS 73 -25.903 -10.285 -7.194 578 HZ1 LYS 73 HZ1 LYS 73 -28.059 -11.364 -7.403 579 HZ2 LYS 73 HZ2 LYS 73 -27.682 -10.500 -8.808 580 HZ3 LYS 73 HZ3 LYS 73 -28.800 -9.872 -7.704 581 H ASP 74 H ASP 74 -26.284 -5.948 -1.688 582 HA ASP 74 HA ASP 74 -25.785 -6.577 1.091 583 HB2 ASP 74 HB2 ASP 74 -26.596 -4.337 1.571 584 HB3 ASP 74 HB3 ASP 74 -25.463 -4.277 0.230 585 H ASN 75 H ASN 75 -27.993 -5.502 2.413 586 HA ASN 75 HA ASN 75 -29.620 -7.738 2.728 587 HB2 ASN 75 HB2 ASN 75 -29.981 -4.865 3.543 588 HB3 ASN 75 HB3 ASN 75 -31.155 -6.101 3.974 589 HD21 ASN 75 HD21 ASN 75 -29.735 -4.578 5.828 590 HD22 ASN 75 HD22 ASN 75 -28.685 -5.622 6.719 591 H GLU 76 H GLU 76 -30.068 -5.010 0.572 592 HA GLU 76 HA GLU 76 -32.866 -5.655 0.090 593 HB2 GLU 76 HB2 GLU 76 -31.096 -3.449 -0.969 594 HB3 GLU 76 HB3 GLU 76 -32.776 -3.659 -1.442 595 HG2 GLU 76 HG2 GLU 76 -33.456 -3.370 0.906 596 HG3 GLU 76 HG3 GLU 76 -31.770 -3.112 1.345 597 H GLY 77 H GLY 77 -29.798 -6.303 -1.334 598 HA2 GLY 77 HA2 GLY 77 -29.565 -8.061 -2.944 599 HA3 GLY 77 HA3 GLY 77 -31.135 -7.632 -3.595 600 H ASN 78 H ASN 78 -29.030 -5.023 -2.868 601 HA ASN 78 HA ASN 78 -28.663 -4.438 -5.703 602 HB2 ASN 78 HB2 ASN 78 -28.138 -2.829 -3.192 603 HB3 ASN 78 HB3 ASN 78 -27.730 -2.257 -4.803 604 HD21 ASN 78 HD21 ASN 78 -29.555 -1.133 -2.851 605 HD22 ASN 78 HD22 ASN 78 -31.104 -1.055 -3.612 606 H GLU 79 H GLU 79 -26.614 -4.057 -6.654 607 HA GLU 79 HA GLU 79 -24.647 -5.934 -5.800 608 HB2 GLU 79 HB2 GLU 79 -25.156 -5.451 -8.185 609 HB3 GLU 79 HB3 GLU 79 -24.405 -3.883 -7.970 610 HG2 GLU 79 HG2 GLU 79 -22.280 -4.876 -7.541 611 HG3 GLU 79 HG3 GLU 79 -22.979 -6.487 -7.557 612 H VAL 80 H VAL 80 -23.276 -5.617 -4.229 613 HA VAL 80 HA VAL 80 -21.948 -3.002 -4.001 614 HB VAL 80 HB VAL 80 -22.394 -4.962 -1.734 615 HG11 VAL 80 HG11 VAL 80 -21.483 -3.193 -0.301 616 HG12 VAL 80 HG12 VAL 80 -21.154 -2.218 -1.734 617 HG13 VAL 80 HG13 VAL 80 -20.311 -3.749 -1.496 618 HG21 VAL 80 HG21 VAL 80 -23.666 -2.256 -2.118 619 HG22 VAL 80 HG22 VAL 80 -23.914 -3.347 -0.757 620 HG23 VAL 80 HG23 VAL 80 -24.477 -3.800 -2.369 621 H VAL 81 H VAL 81 -20.108 -3.220 -5.055 622 HA VAL 81 HA VAL 81 -18.822 -5.811 -5.122 623 HB VAL 81 HB VAL 81 -18.353 -3.357 -6.800 624 HG11 VAL 81 HG11 VAL 81 -16.966 -4.809 -8.271 625 HG12 VAL 81 HG12 VAL 81 -16.999 -6.035 -7.002 626 HG13 VAL 81 HG13 VAL 81 -16.252 -4.465 -6.694 627 HG21 VAL 81 HG21 VAL 81 -19.332 -4.617 -8.641 628 HG22 VAL 81 HG22 VAL 81 -20.465 -4.473 -7.296 629 HG23 VAL 81 HG23 VAL 81 -19.606 -5.988 -7.566 630 HA PRO 82 HA PRO 82 -15.760 -4.748 -2.009 631 HB2 PRO 82 HB2 PRO 82 -14.171 -6.844 -3.428 632 HB3 PRO 82 HB3 PRO 82 -14.538 -6.687 -1.704 633 HG2 PRO 82 HG2 PRO 82 -15.845 -8.422 -3.077 634 HG3 PRO 82 HG3 PRO 82 -16.690 -7.475 -2.049 635 HD2 PRO 82 HD2 PRO 82 -16.468 -7.152 -4.921 636 HD3 PRO 82 HD3 PRO 82 -17.837 -7.100 -4.033 637 H LYS 83 H LYS 83 -14.186 -3.322 -1.891 638 HA LYS 83 HA LYS 83 -13.028 -2.303 -4.373 639 HB2 LYS 83 HB2 LYS 83 -13.297 -1.093 -1.619 640 HB3 LYS 83 HB3 LYS 83 -12.463 -0.295 -2.934 641 HG2 LYS 83 HG2 LYS 83 -14.541 -0.277 -4.227 642 HG3 LYS 83 HG3 LYS 83 -15.369 -1.064 -2.897 643 HD2 LYS 83 HD2 LYS 83 -14.918 0.868 -1.456 644 HD3 LYS 83 HD3 LYS 83 -14.061 1.652 -2.780 645 HE2 LYS 83 HE2 LYS 83 -16.085 1.793 -4.074 646 HE3 LYS 83 HE3 LYS 83 -16.982 0.887 -2.852 647 HZ1 LYS 83 HZ1 LYS 83 -17.408 3.253 -2.666 648 HZ2 LYS 83 HZ2 LYS 83 -15.756 3.571 -2.479 649 HZ3 LYS 83 HZ3 LYS 83 -16.588 2.704 -1.290 650 HA PRO 84 HA PRO 84 -8.873 -3.638 -3.662 651 HB2 PRO 84 HB2 PRO 84 -7.272 -1.532 -4.165 652 HB3 PRO 84 HB3 PRO 84 -8.109 -2.407 -5.441 653 HG2 PRO 84 HG2 PRO 84 -8.831 0.148 -4.208 654 HG3 PRO 84 HG3 PRO 84 -8.825 -0.249 -5.793 655 HD2 PRO 84 HD2 PRO 84 -11.227 -0.473 -4.411 656 HD3 PRO 84 HD3 PRO 84 -10.912 -1.574 -5.575 657 H GLN 85 H GLN 85 -7.253 -3.796 -2.230 658 HA GLN 85 HA GLN 85 -7.433 -2.221 0.227 659 HB2 GLN 85 HB2 GLN 85 -5.836 -4.719 -0.390 660 HB3 GLN 85 HB3 GLN 85 -5.918 -3.931 1.180 661 HG2 GLN 85 HG2 GLN 85 -8.250 -5.152 -0.283 662 HG3 GLN 85 HG3 GLN 85 -7.363 -5.902 1.037 663 HE21 GLN 85 HE21 GLN 85 -10.144 -4.473 0.370 664 HE22 GLN 85 HE22 GLN 85 -10.500 -3.706 1.877 665 H ARG 86 H ARG 86 -5.607 -1.184 1.165 666 HA ARG 86 HA ARG 86 -3.314 -0.744 -0.650 667 HB2 ARG 86 HB2 ARG 86 -4.613 1.452 0.979 668 HB3 ARG 86 HB3 ARG 86 -3.292 1.622 -0.161 669 HG2 ARG 86 HG2 ARG 86 -4.694 1.350 -2.007 670 HG3 ARG 86 HG3 ARG 86 -5.974 0.620 -1.043 671 HD2 ARG 86 HD2 ARG 86 -6.163 2.845 0.152 672 HD3 ARG 86 HD3 ARG 86 -5.127 3.507 -1.111 673 HE ARG 86 HE ARG 86 -6.860 3.255 -2.650 674 HH11 ARG 86 HH11 ARG 86 -7.851 2.035 0.494 675 HH12 ARG 86 HH12 ARG 86 -9.531 1.993 0.073 676 HH21 ARG 86 HH21 ARG 86 -9.066 3.190 -3.175 677 HH22 ARG 86 HH22 ARG 86 -10.216 2.644 -2.000 678 H HIS 87 H HIS 87 -1.348 -0.815 0.335 679 HA HIS 87 HA HIS 87 -1.272 -1.048 3.276 680 HB2 HIS 87 HB2 HIS 87 0.792 -2.150 1.362 681 HB3 HIS 87 HB3 HIS 87 0.616 -2.515 3.069 682 HD1 HIS 87 HD1 HIS 87 -1.473 -4.052 3.700 683 HD2 HIS 87 HD2 HIS 87 -0.598 -3.764 -0.353 684 HE1 HIS 87 HE1 HIS 87 -2.656 -5.988 2.616 685 HE2 HIS 87 HE2 HIS 87 -2.062 -5.830 0.174 686 H MET 88 H MET 88 -0.474 0.709 4.247 687 HA MET 88 HA MET 88 1.284 2.510 2.729 688 HB2 MET 88 HB2 MET 88 -0.378 3.005 5.215 689 HB3 MET 88 HB3 MET 88 0.626 4.195 4.429 690 HG2 MET 88 HG2 MET 88 -1.218 3.024 2.552 691 HG3 MET 88 HG3 MET 88 -2.033 3.711 3.941 692 HE1 MET 88 HE1 MET 88 -3.292 5.501 2.864 693 HE2 MET 88 HE2 MET 88 -2.576 7.098 2.700 694 HE3 MET 88 HE3 MET 88 -2.506 6.256 4.250 695 H PHE 89 H PHE 89 3.272 3.083 3.383 696 HA PHE 89 HA PHE 89 4.279 2.121 5.983 697 HB2 PHE 89 HB2 PHE 89 5.767 2.056 3.347 698 HB3 PHE 89 HB3 PHE 89 6.485 1.716 4.904 699 HD1 PHE 89 HD1 PHE 89 4.237 0.465 2.299 700 HD2 PHE 89 HD2 PHE 89 6.158 -0.386 5.992 701 HE1 PHE 89 HE1 PHE 89 3.673 -1.917 2.042 702 HE2 PHE 89 HE2 PHE 89 5.599 -2.765 5.761 703 HZ PHE 89 HZ PHE 89 4.388 -3.533 3.692 704 H SER 90 H SER 90 5.258 3.721 7.155 705 HA SER 90 HA SER 90 5.559 6.348 5.959 706 HB2 SER 90 HB2 SER 90 5.721 5.293 8.738 707 HB3 SER 90 HB3 SER 90 6.348 6.892 8.379 708 HG SER 90 HG SER 90 3.944 6.424 8.983 709 H PHE 91 H PHE 91 7.445 7.539 5.839 710 HA PHE 91 HA PHE 91 9.953 5.987 5.892 711 HB2 PHE 91 HB2 PHE 91 8.754 7.598 3.659 712 HB3 PHE 91 HB3 PHE 91 10.496 7.396 3.762 713 HD1 PHE 91 HD1 PHE 91 7.375 5.330 3.850 714 HD2 PHE 91 HD2 PHE 91 11.447 5.636 2.633 715 HE1 PHE 91 HE1 PHE 91 7.196 3.176 2.668 716 HE2 PHE 91 HE2 PHE 91 11.262 3.480 1.457 717 HZ PHE 91 HZ PHE 91 9.129 2.255 1.474 718 H ASN 92 H ASN 92 11.879 7.549 5.432 719 HA ASN 92 HA ASN 92 11.505 10.065 6.918 720 HB2 ASN 92 HB2 ASN 92 13.902 8.207 6.970 721 HB3 ASN 92 HB3 ASN 92 13.824 9.771 7.771 722 HD21 ASN 92 HD21 ASN 92 13.315 6.480 8.083 723 HD22 ASN 92 HD22 ASN 92 12.435 6.490 9.570 724 H ASN 93 H ASN 93 12.584 8.562 4.032 725 HA ASN 93 HA ASN 93 13.609 11.108 3.005 726 HB2 ASN 93 HB2 ASN 93 15.543 9.658 3.776 727 HB3 ASN 93 HB3 ASN 93 15.091 8.516 2.516 728 HD21 ASN 93 HD21 ASN 93 17.587 9.654 2.600 729 HD22 ASN 93 HD22 ASN 93 17.775 10.735 1.266 730 H ARG 94 H ARG 94 13.262 11.459 0.855 731 HA ARG 94 HA ARG 94 11.202 9.961 -0.460 732 HB2 ARG 94 HB2 ARG 94 11.332 12.373 -0.702 733 HB3 ARG 94 HB3 ARG 94 12.912 12.240 -1.437 734 HG2 ARG 94 HG2 ARG 94 11.395 10.703 -3.095 735 HG3 ARG 94 HG3 ARG 94 10.253 11.936 -2.591 736 HD2 ARG 94 HD2 ARG 94 11.385 13.620 -3.642 737 HD3 ARG 94 HD3 ARG 94 12.936 12.820 -3.459 738 HE ARG 94 HE ARG 94 10.957 11.819 -5.392 739 HH11 ARG 94 HH11 ARG 94 14.206 13.072 -4.832 740 HH12 ARG 94 HH12 ARG 94 14.724 12.743 -6.451 741 HH21 ARG 94 HH21 ARG 94 11.676 11.405 -7.489 742 HH22 ARG 94 HH22 ARG 94 13.298 11.806 -7.948 743 H THR 95 H THR 95 14.668 10.057 -0.655 744 HA THR 95 HA THR 95 14.950 8.990 -3.282 745 HB THR 95 HB THR 95 17.333 8.667 -2.685 746 HG1 THR 95 HG1 THR 95 16.597 8.255 -0.330 747 HG21 THR 95 HG21 THR 95 17.907 11.004 -2.190 748 HG22 THR 95 HG22 THR 95 16.240 11.315 -1.706 749 HG23 THR 95 HG23 THR 95 16.610 10.912 -3.383 750 H VAL 96 H VAL 96 14.385 7.549 -0.165 751 HA VAL 96 HA VAL 96 15.141 4.880 -0.995 752 HB VAL 96 HB VAL 96 13.546 5.734 1.448 753 HG11 VAL 96 HG11 VAL 96 13.178 3.366 0.720 754 HG12 VAL 96 HG12 VAL 96 13.887 3.524 2.322 755 HG13 VAL 96 HG13 VAL 96 14.900 3.082 0.948 756 HG21 VAL 96 HG21 VAL 96 15.566 5.441 2.729 757 HG22 VAL 96 HG22 VAL 96 15.889 6.569 1.408 758 HG23 VAL 96 HG23 VAL 96 16.441 4.899 1.296 759 H MET 97 H MET 97 11.973 6.352 -0.075 760 HA MET 97 HA MET 97 10.265 4.350 -0.863 761 HB2 MET 97 HB2 MET 97 8.497 5.976 -1.042 762 HB3 MET 97 HB3 MET 97 9.553 6.448 0.274 763 HG2 MET 97 HG2 MET 97 10.577 8.120 -1.093 764 HG3 MET 97 HG3 MET 97 9.585 7.658 -2.470 765 HE1 MET 97 HE1 MET 97 9.824 9.435 0.925 766 HE2 MET 97 HE2 MET 97 8.629 8.235 1.426 767 HE3 MET 97 HE3 MET 97 8.172 9.932 1.287 768 H ASP 98 H ASP 98 11.640 6.845 -2.982 769 HA ASP 98 HA ASP 98 10.266 6.002 -5.333 770 HB2 ASP 98 HB2 ASP 98 12.702 7.709 -4.811 771 HB3 ASP 98 HB3 ASP 98 12.242 7.285 -6.454 772 H ASN 99 H ASN 99 13.263 4.959 -3.829 773 HA ASN 99 HA ASN 99 14.105 3.379 -6.107 774 HB2 ASN 99 HB2 ASN 99 15.160 3.804 -3.318 775 HB3 ASN 99 HB3 ASN 99 15.805 2.518 -4.323 776 HD21 ASN 99 HD21 ASN 99 17.617 4.196 -3.601 777 HD22 ASN 99 HD22 ASN 99 18.031 5.334 -4.833 778 H ILE 100 H ILE 100 12.472 2.750 -2.992 779 HA ILE 100 HA ILE 100 12.365 -0.092 -3.299 780 HB ILE 100 HB ILE 100 10.520 1.734 -1.713 781 HG12 ILE 100 HG12 ILE 100 12.762 1.836 -0.804 782 HG13 ILE 100 HG13 ILE 100 11.746 0.944 0.293 783 HG21 ILE 100 HG21 ILE 100 9.507 -0.074 -0.668 784 HG22 ILE 100 HG22 ILE 100 10.777 -1.195 -1.151 785 HG23 ILE 100 HG23 ILE 100 9.627 -0.605 -2.346 786 HD11 ILE 100 HD11 ILE 100 12.757 -1.145 -0.544 787 HD12 ILE 100 HD12 ILE 100 13.927 -0.043 0.185 788 HD13 ILE 100 HD13 ILE 100 13.825 -0.185 -1.571 789 H LYS 101 H LYS 101 9.951 2.483 -3.898 790 HA LYS 101 HA LYS 101 7.977 1.074 -5.212 791 HB2 LYS 101 HB2 LYS 101 7.764 3.392 -4.485 792 HB3 LYS 101 HB3 LYS 101 8.914 3.894 -5.715 793 HG2 LYS 101 HG2 LYS 101 7.368 3.228 -7.469 794 HG3 LYS 101 HG3 LYS 101 6.234 2.635 -6.257 795 HD2 LYS 101 HD2 LYS 101 5.660 4.777 -5.562 796 HD3 LYS 101 HD3 LYS 101 7.159 5.471 -6.169 797 HE2 LYS 101 HE2 LYS 101 6.370 5.196 -8.466 798 HE3 LYS 101 HE3 LYS 101 4.876 4.477 -7.867 799 HZ1 LYS 101 HZ1 LYS 101 4.363 6.572 -6.762 800 HZ2 LYS 101 HZ2 LYS 101 4.565 6.801 -8.426 801 HZ3 LYS 101 HZ3 LYS 101 5.793 7.258 -7.356 802 H MET 102 H MET 102 10.876 2.566 -6.623 803 HA MET 102 HA MET 102 10.513 1.996 -9.314 804 HB2 MET 102 HB2 MET 102 12.338 3.355 -8.444 805 HB3 MET 102 HB3 MET 102 13.048 1.963 -7.681 806 HG2 MET 102 HG2 MET 102 13.442 0.989 -9.935 807 HG3 MET 102 HG3 MET 102 12.797 2.480 -10.620 808 HE1 MET 102 HE1 MET 102 15.242 1.973 -7.499 809 HE2 MET 102 HE2 MET 102 16.791 2.163 -8.322 810 HE3 MET 102 HE3 MET 102 15.743 0.797 -8.712 811 H THR 103 H THR 103 12.171 -0.101 -6.913 812 HA THR 103 HA THR 103 12.514 -2.343 -8.563 813 HB THR 103 HB THR 103 12.119 -2.286 -5.555 814 HG1 THR 103 HG1 THR 103 14.586 -2.409 -6.945 815 HG21 THR 103 HG21 THR 103 13.488 -4.387 -7.256 816 HG22 THR 103 HG22 THR 103 11.898 -4.570 -6.518 817 HG23 THR 103 HG23 THR 103 13.326 -4.405 -5.497 818 H LEU 104 H LEU 104 10.002 -1.882 -6.054 819 HA LEU 104 HA LEU 104 8.254 -3.900 -6.456 820 HB2 LEU 104 HB2 LEU 104 7.636 -0.975 -5.988 821 HB3 LEU 104 HB3 LEU 104 6.441 -2.228 -5.812 822 HG LEU 104 HG LEU 104 8.947 -2.017 -4.156 823 HD11 LEU 104 HD11 LEU 104 6.990 -1.571 -2.402 824 HD12 LEU 104 HD12 LEU 104 6.229 -0.879 -3.836 825 HD13 LEU 104 HD13 LEU 104 7.784 -0.271 -3.276 826 HD21 LEU 104 HD21 LEU 104 6.516 -3.590 -3.442 827 HD22 LEU 104 HD22 LEU 104 8.173 -3.767 -2.857 828 HD23 LEU 104 HD23 LEU 104 7.756 -4.293 -4.487 829 H GLN 105 H GLN 105 7.947 -0.753 -8.063 830 HA GLN 105 HA GLN 105 5.929 -1.221 -9.874 831 HB2 GLN 105 HB2 GLN 105 6.990 0.972 -9.466 832 HB3 GLN 105 HB3 GLN 105 8.411 0.458 -10.346 833 HG2 GLN 105 HG2 GLN 105 7.161 0.336 -12.401 834 HG3 GLN 105 HG3 GLN 105 5.661 0.663 -11.540 835 HE21 GLN 105 HE21 GLN 105 5.995 2.279 -13.517 836 HE22 GLN 105 HE22 GLN 105 6.574 3.835 -13.037 837 H GLN 106 H GLN 106 9.289 -2.176 -10.202 838 HA GLN 106 HA GLN 106 9.042 -2.977 -12.967 839 HB2 GLN 106 HB2 GLN 106 11.256 -3.230 -10.922 840 HB3 GLN 106 HB3 GLN 106 11.386 -3.871 -12.547 841 HG2 GLN 106 HG2 GLN 106 11.214 -1.705 -13.506 842 HG3 GLN 106 HG3 GLN 106 10.834 -0.965 -11.965 843 HE21 GLN 106 HE21 GLN 106 12.737 0.369 -12.978 844 HE22 GLN 106 HE22 GLN 106 14.319 -0.096 -12.462 845 H ILE 107 H ILE 107 8.533 -4.404 -9.892 846 HA ILE 107 HA ILE 107 8.699 -7.158 -10.767 847 HB ILE 107 HB ILE 107 7.864 -5.872 -8.152 848 HG12 ILE 107 HG12 ILE 107 10.266 -7.595 -8.820 849 HG13 ILE 107 HG13 ILE 107 10.286 -5.850 -8.765 850 HG21 ILE 107 HG21 ILE 107 7.703 -8.060 -7.151 851 HG22 ILE 107 HG22 ILE 107 8.071 -8.834 -8.694 852 HG23 ILE 107 HG23 ILE 107 6.569 -7.930 -8.494 853 HD11 ILE 107 HD11 ILE 107 11.252 -6.943 -6.764 854 HD12 ILE 107 HD12 ILE 107 9.646 -7.567 -6.389 855 HD13 ILE 107 HD13 ILE 107 9.929 -5.828 -6.414 856 H ILE 108 H ILE 108 6.093 -4.833 -10.031 857 HA ILE 108 HA ILE 108 3.990 -6.742 -10.018 858 HB ILE 108 HB ILE 108 3.904 -3.730 -10.338 859 HG12 ILE 108 HG12 ILE 108 2.934 -5.375 -8.029 860 HG13 ILE 108 HG13 ILE 108 4.620 -4.950 -8.168 861 HG21 ILE 108 HG21 ILE 108 1.569 -5.606 -9.906 862 HG22 ILE 108 HG22 ILE 108 1.914 -4.748 -11.410 863 HG23 ILE 108 HG23 ILE 108 1.495 -3.840 -9.954 864 HD11 ILE 108 HD11 ILE 108 3.333 -3.466 -6.691 865 HD12 ILE 108 HD12 ILE 108 2.393 -2.953 -8.092 866 HD13 ILE 108 HD13 ILE 108 4.124 -2.634 -8.026 867 H SER 109 H SER 109 5.016 -4.435 -12.537 868 HA SER 109 HA SER 109 3.060 -5.247 -14.383 869 HB2 SER 109 HB2 SER 109 4.297 -3.998 -16.073 870 HB3 SER 109 HB3 SER 109 4.121 -3.065 -14.582 871 HG SER 109 HG SER 109 6.402 -4.275 -15.705 872 H ARG 110 H ARG 110 6.039 -6.751 -13.520 873 HA ARG 110 HA ARG 110 6.424 -8.431 -15.762 874 HB2 ARG 110 HB2 ARG 110 8.031 -8.213 -13.880 875 HB3 ARG 110 HB3 ARG 110 6.921 -9.132 -12.873 876 HG2 ARG 110 HG2 ARG 110 7.135 -11.030 -14.391 877 HG3 ARG 110 HG3 ARG 110 8.274 -10.115 -15.373 878 HD2 ARG 110 HD2 ARG 110 8.640 -10.886 -12.479 879 HD3 ARG 110 HD3 ARG 110 9.427 -11.626 -13.871 880 HE ARG 110 HE ARG 110 10.155 -9.054 -14.121 881 HH11 ARG 110 HH11 ARG 110 10.320 -11.234 -11.368 882 HH12 ARG 110 HH12 ARG 110 11.705 -10.448 -10.686 883 HH21 ARG 110 HH21 ARG 110 11.967 -8.046 -13.209 884 HH22 ARG 110 HH22 ARG 110 12.635 -8.648 -11.728 885 H TYR 111 H TYR 111 4.496 -8.813 -12.830 886 HA TYR 111 HA TYR 111 3.216 -11.256 -13.652 887 HB2 TYR 111 HB2 TYR 111 2.408 -9.323 -11.477 888 HB3 TYR 111 HB3 TYR 111 1.810 -10.964 -11.686 889 HD1 TYR 111 HD1 TYR 111 3.819 -12.771 -11.919 890 HD2 TYR 111 HD2 TYR 111 4.046 -9.049 -9.862 891 HE1 TYR 111 HE1 TYR 111 5.686 -13.633 -10.576 892 HE2 TYR 111 HE2 TYR 111 5.906 -9.911 -8.509 893 HH TYR 111 HH TYR 111 7.580 -12.750 -9.291 894 H LYS 112 H LYS 112 2.762 -8.024 -14.511 895 HA LYS 112 HA LYS 112 -0.060 -8.199 -15.146 896 HB2 LYS 112 HB2 LYS 112 0.928 -6.080 -14.447 897 HB3 LYS 112 HB3 LYS 112 1.992 -6.079 -15.825 898 HG2 LYS 112 HG2 LYS 112 0.141 -4.618 -16.265 899 HG3 LYS 112 HG3 LYS 112 0.052 -6.014 -17.333 900 HD2 LYS 112 HD2 LYS 112 -1.613 -7.025 -15.770 901 HD3 LYS 112 HD3 LYS 112 -1.576 -5.527 -14.833 902 HE2 LYS 112 HE2 LYS 112 -3.432 -5.308 -16.254 903 HE3 LYS 112 HE3 LYS 112 -2.155 -4.361 -17.003 904 HZ1 LYS 112 HZ1 LYS 112 -3.295 -5.655 -18.655 905 HZ2 LYS 112 HZ2 LYS 112 -2.988 -7.085 -17.808 906 HZ3 LYS 112 HZ3 LYS 112 -1.709 -6.219 -18.495 907 H ASP 113 H ASP 113 2.985 -8.715 -16.741 908 HA ASP 113 HA ASP 113 1.734 -9.094 -19.342 909 HB2 ASP 113 HB2 ASP 113 4.587 -9.092 -18.372 910 HB3 ASP 113 HB3 ASP 113 4.145 -9.584 -19.993 911 H ALA 114 H ALA 114 2.719 -10.888 -16.587 912 HA ALA 114 HA ALA 114 3.039 -13.414 -17.944 913 HB1 ALA 114 HB1 ALA 114 2.853 -12.975 -14.983 914 HB2 ALA 114 HB2 ALA 114 4.338 -12.759 -15.905 915 HB3 ALA 114 HB3 ALA 114 3.569 -14.344 -15.829 916 H ASP 115 H ASP 115 0.394 -11.642 -17.074 917 HA ASP 115 HA ASP 115 -1.278 -13.979 -16.466 918 HB2 ASP 115 HB2 ASP 115 -1.326 -12.125 -14.831 919 HB3 ASP 115 HB3 ASP 115 -1.912 -11.041 -16.086 920 H1 GLY 519 H1 GLY 519 -38.672 7.912 18.191 921 H2 GLY 519 H2 GLY 519 -38.031 9.445 18.510 922 H3 GLY 519 H3 GLY 519 -37.047 8.075 18.639 923 HA2 GLY 519 HA2 GLY 519 -38.258 9.114 16.135 924 HA3 GLY 519 HA3 GLY 519 -36.572 9.281 16.600 925 H SER 520 H SER 520 -35.218 7.851 15.776 926 HA SER 520 HA SER 520 -36.268 5.237 14.910 927 HB2 SER 520 HB2 SER 520 -35.719 6.590 12.965 928 HB3 SER 520 HB3 SER 520 -34.114 6.926 13.612 929 HG SER 520 HG SER 520 -33.486 5.139 12.729 930 HA PRO 521 HA PRO 521 -33.161 3.867 18.026 931 HB2 PRO 521 HB2 PRO 521 -34.317 1.246 17.189 932 HB3 PRO 521 HB3 PRO 521 -34.012 1.861 18.810 933 HG2 PRO 521 HG2 PRO 521 -36.419 1.839 17.975 934 HG3 PRO 521 HG3 PRO 521 -35.891 3.195 18.715 935 HD2 PRO 521 HD2 PRO 521 -36.111 2.787 15.812 936 HD3 PRO 521 HD3 PRO 521 -36.666 4.077 16.646 937 H GLY 522 H GLY 522 -31.119 3.100 17.785 938 HA2 GLY 522 HA2 GLY 522 -30.368 1.385 15.580 939 HA3 GLY 522 HA3 GLY 522 -29.761 3.028 15.449 940 H TYR 523 H TYR 523 -28.745 0.118 16.160 941 HA TYR 523 HA TYR 523 -27.215 0.807 18.554 942 HB2 TYR 523 HB2 TYR 523 -28.354 -1.366 18.580 943 HB3 TYR 523 HB3 TYR 523 -27.490 -1.855 17.132 944 HD1 TYR 523 HD1 TYR 523 -27.166 -1.204 20.751 945 HD2 TYR 523 HD2 TYR 523 -25.229 -2.674 17.256 946 HE1 TYR 523 HE1 TYR 523 -25.381 -2.160 22.147 947 HE2 TYR 523 HE2 TYR 523 -23.444 -3.638 18.646 948 HH TYR 523 HH TYR 523 -23.695 -3.956 22.007 949 HA PRO 524 HA PRO 524 -23.779 1.917 15.742 950 HB2 PRO 524 HB2 PRO 524 -22.417 2.270 18.372 951 HB3 PRO 524 HB3 PRO 524 -22.454 3.354 16.976 952 HG2 PRO 524 HG2 PRO 524 -23.923 3.944 19.014 953 HG3 PRO 524 HG3 PRO 524 -24.617 4.049 17.540 954 HD2 PRO 524 HD2 PRO 524 -24.895 1.766 19.414 955 HD3 PRO 524 HD3 PRO 524 -26.125 2.524 18.653 956 H ASN 525 H ASN 525 -22.117 0.764 14.935 957 HA ASN 525 HA ASN 525 -21.105 -1.525 16.497 958 HB2 ASN 525 HB2 ASN 525 -21.614 -1.351 13.517 959 HB3 ASN 525 HB3 ASN 525 -20.745 -2.671 14.289 960 HD21 ASN 525 HD21 ASN 525 -23.670 -1.694 13.152 961 HD22 ASN 525 HD22 ASN 525 -24.697 -2.781 14.017 962 H GLY 526 H GLY 526 -18.955 -1.740 16.704 963 HA2 GLY 526 HA2 GLY 526 -17.173 -0.199 14.952 964 HA3 GLY 526 HA3 GLY 526 -17.079 0.075 16.683 965 H LEU 527 H LEU 527 -16.900 -2.492 14.247 966 HA LEU 527 HA LEU 527 -14.861 -3.822 15.875 967 HB2 LEU 527 HB2 LEU 527 -17.015 -5.049 14.172 968 HB3 LEU 527 HB3 LEU 527 -15.641 -5.959 14.759 969 HG LEU 527 HG LEU 527 -17.713 -4.638 16.533 970 HD11 LEU 527 HD11 LEU 527 -18.476 -6.937 16.960 971 HD12 LEU 527 HD12 LEU 527 -17.365 -7.521 15.722 972 HD13 LEU 527 HD13 LEU 527 -18.701 -6.459 15.278 973 HD21 LEU 527 HD21 LEU 527 -15.500 -4.888 17.594 974 HD22 LEU 527 HD22 LEU 527 -15.526 -6.609 17.212 975 HD23 LEU 527 HD23 LEU 527 -16.712 -5.937 18.330 976 H LEU 528 H LEU 528 -16.059 -3.312 12.680 977 HA LEU 528 HA LEU 528 -13.442 -3.846 11.496 978 HB2 LEU 528 HB2 LEU 528 -16.136 -3.421 10.188 979 HB3 LEU 528 HB3 LEU 528 -14.654 -3.755 9.319 980 HG LEU 528 HG LEU 528 -15.999 -5.656 11.250 981 HD11 LEU 528 HD11 LEU 528 -17.315 -5.397 9.218 982 HD12 LEU 528 HD12 LEU 528 -16.547 -6.982 9.270 983 HD13 LEU 528 HD13 LEU 528 -15.886 -5.716 8.237 984 HD21 LEU 528 HD21 LEU 528 -13.614 -6.021 9.444 985 HD22 LEU 528 HD22 LEU 528 -14.397 -7.298 10.376 986 HD23 LEU 528 HD23 LEU 528 -13.597 -5.963 11.206 987 H SER 529 H SER 529 -15.415 -1.337 12.503 988 HA SER 529 HA SER 529 -13.697 0.652 11.187 989 HB2 SER 529 HB2 SER 529 -16.694 0.833 11.562 990 HB3 SER 529 HB3 SER 529 -15.681 2.189 11.072 991 HG SER 529 HG SER 529 -14.994 0.436 9.394 992 H GLY 530 H GLY 530 -12.685 0.032 13.376 993 HA2 GLY 530 HA2 GLY 530 -13.778 1.785 15.491 994 HA3 GLY 530 HA3 GLY 530 -13.011 0.241 15.833 995 H ASP 531 H ASP 531 -10.705 0.076 14.888 996 HA ASP 531 HA ASP 531 -9.279 2.621 15.303 997 HB2 ASP 531 HB2 ASP 531 -7.544 1.413 16.583 998 HB3 ASP 531 HB3 ASP 531 -9.117 1.320 17.367 999 H GLU 532 H GLU 532 -9.954 0.382 13.099 1000 HA GLU 532 HA GLU 532 -7.273 0.272 11.922 1001 HB2 GLU 532 HB2 GLU 532 -9.664 -1.523 11.635 1002 HB3 GLU 532 HB3 GLU 532 -8.247 -1.642 10.631 1003 HG2 GLU 532 HG2 GLU 532 -6.899 -2.110 12.611 1004 HG3 GLU 532 HG3 GLU 532 -8.338 -1.982 13.615 1005 H ASP 533 H ASP 533 -9.708 2.190 11.732 1006 HA ASP 533 HA ASP 533 -10.146 2.184 8.834 1007 HB2 ASP 533 HB2 ASP 533 -12.077 2.170 10.503 1008 HB3 ASP 533 HB3 ASP 533 -11.640 3.831 10.879 1009 H PHE 534 H PHE 534 -7.846 3.452 10.643 1010 HA PHE 534 HA PHE 534 -8.059 6.253 10.128 1011 HB2 PHE 534 HB2 PHE 534 -5.849 4.537 11.228 1012 HB3 PHE 534 HB3 PHE 534 -5.588 6.239 10.888 1013 HD1 PHE 534 HD1 PHE 534 -6.911 3.832 13.195 1014 HD2 PHE 534 HD2 PHE 534 -6.975 7.950 12.124 1015 HE1 PHE 534 HE1 PHE 534 -7.822 4.392 15.412 1016 HE2 PHE 534 HE2 PHE 534 -7.882 8.517 14.340 1017 HZ PHE 534 HZ PHE 534 -8.307 6.737 15.987 1018 H SER 535 H SER 535 -7.024 3.666 8.212 1019 HA SER 535 HA SER 535 -5.411 5.328 6.449 1020 HB2 SER 535 HB2 SER 535 -4.945 3.281 5.221 1021 HB3 SER 535 HB3 SER 535 -4.652 3.022 6.936 1022 HG SER 535 HG SER 535 -6.903 2.194 5.413 1023 H SER 536 H SER 536 -8.639 4.729 6.891 1024 HA SER 536 HA SER 536 -9.433 4.838 4.103 1025 HB2 SER 536 HB2 SER 536 -11.620 4.448 4.817 1026 HB3 SER 536 HB3 SER 536 -10.633 3.554 5.960 1027 HG SER 536 HG SER 536 -11.415 4.743 7.490 1028 H ILE 537 H ILE 537 -9.247 6.954 6.899 1029 HA ILE 537 HA ILE 537 -10.324 9.211 5.416 1030 HB ILE 537 HB ILE 537 -9.925 10.504 7.520 1031 HG12 ILE 537 HG12 ILE 537 -9.118 7.840 8.723 1032 HG13 ILE 537 HG13 ILE 537 -7.996 9.131 8.325 1033 HG21 ILE 537 HG21 ILE 537 -11.663 9.450 8.901 1034 HG22 ILE 537 HG22 ILE 537 -11.544 7.985 7.926 1035 HG23 ILE 537 HG23 ILE 537 -12.112 9.485 7.195 1036 HD11 ILE 537 HD11 ILE 537 -9.340 10.579 9.941 1037 HD12 ILE 537 HD12 ILE 537 -8.348 9.295 10.640 1038 HD13 ILE 537 HD13 ILE 537 -10.091 9.074 10.477 1039 H ALA 538 H ALA 538 -7.263 7.841 6.285 1040 HA ALA 538 HA ALA 538 -5.799 10.147 5.332 1041 HB1 ALA 538 HB1 ALA 538 -4.691 7.443 6.047 1042 HB2 ALA 538 HB2 ALA 538 -4.988 8.722 7.221 1043 HB3 ALA 538 HB3 ALA 538 -3.813 8.968 5.930 1044 H ASP 539 H ASP 539 -7.610 8.062 3.826 1045 HA ASP 539 HA ASP 539 -5.918 7.572 1.490 1046 HB2 ASP 539 HB2 ASP 539 -8.480 6.506 2.519 1047 HB3 ASP 539 HB3 ASP 539 -8.423 6.720 0.774 1048 H MET 540 H MET 540 -8.591 9.547 2.610 1049 HA MET 540 HA MET 540 -8.995 10.979 0.175 1050 HB2 MET 540 HB2 MET 540 -9.648 11.689 3.036 1051 HB3 MET 540 HB3 MET 540 -10.145 12.633 1.634 1052 HG2 MET 540 HG2 MET 540 -11.521 10.876 0.817 1053 HG3 MET 540 HG3 MET 540 -10.855 9.732 1.978 1054 HE1 MET 540 HE1 MET 540 -12.385 13.360 2.065 1055 HE2 MET 540 HE2 MET 540 -13.945 13.025 2.817 1056 HE3 MET 540 HE3 MET 540 -13.566 12.349 1.234 1057 H ASP 541 H ASP 541 -6.612 11.006 2.589 1058 HA ASP 541 HA ASP 541 -5.715 13.686 2.301 1059 HB2 ASP 541 HB2 ASP 541 -4.728 11.237 3.691 1060 HB3 ASP 541 HB3 ASP 541 -3.675 12.621 3.538 1061 H PHE 542 H PHE 542 -5.012 10.648 0.705 1062 HA PHE 542 HA PHE 542 -2.384 11.466 -0.190 1063 HB2 PHE 542 HB2 PHE 542 -3.661 9.014 0.234 1064 HB3 PHE 542 HB3 PHE 542 -3.386 9.089 -1.500 1065 HD1 PHE 542 HD1 PHE 542 -1.892 8.531 1.722 1066 HD2 PHE 542 HD2 PHE 542 -1.050 9.497 -2.338 1067 HE1 PHE 542 HE1 PHE 542 0.452 7.865 2.044 1068 HE2 PHE 542 HE2 PHE 542 1.299 8.835 -2.001 1069 HZ PHE 542 HZ PHE 542 2.038 8.017 0.180 1070 H SER 543 H SER 543 -5.589 11.640 -1.482 1071 HA SER 543 HA SER 543 -4.784 11.599 -4.256 1072 HB2 SER 543 HB2 SER 543 -7.174 12.098 -4.709 1073 HB3 SER 543 HB3 SER 543 -6.955 10.703 -3.658 1074 HG SER 543 HG SER 543 -8.494 12.674 -3.160 1075 H ALA 544 H ALA 544 -5.076 14.013 -1.823 1076 HA ALA 544 HA ALA 544 -5.233 16.213 -3.731 1077 HB1 ALA 544 HB1 ALA 544 -6.517 16.371 -1.662 1078 HB2 ALA 544 HB2 ALA 544 -5.309 17.654 -1.756 1079 HB3 ALA 544 HB3 ALA 544 -5.030 16.254 -0.721 1080 H LEU 545 H LEU 545 -2.826 14.333 -2.251 1081 HA LEU 545 HA LEU 545 -0.811 16.390 -2.118 1082 HB2 LEU 545 HB2 LEU 545 -0.685 13.426 -1.623 1083 HB3 LEU 545 HB3 LEU 545 0.640 14.528 -1.375 1084 HG LEU 545 HG LEU 545 -1.962 14.669 0.126 1085 HD11 LEU 545 HD11 LEU 545 -0.786 12.630 0.695 1086 HD12 LEU 545 HD12 LEU 545 -0.684 13.781 2.022 1087 HD13 LEU 545 HD13 LEU 545 0.699 13.539 0.955 1088 HD21 LEU 545 HD21 LEU 545 -0.912 16.825 0.094 1089 HD22 LEU 545 HD22 LEU 545 0.658 16.117 0.466 1090 HD23 LEU 545 HD23 LEU 545 -0.625 16.106 1.678 1091 H LEU 546 H LEU 546 -1.629 13.679 -4.239 1092 HA LEU 546 HA LEU 546 0.840 13.703 -5.700 1093 HB2 LEU 546 HB2 LEU 546 -1.856 12.515 -6.342 1094 HB3 LEU 546 HB3 LEU 546 -0.448 12.304 -7.354 1095 HG LEU 546 HG LEU 546 -0.635 11.391 -4.489 1096 HD11 LEU 546 HD11 LEU 546 -0.896 9.146 -5.420 1097 HD12 LEU 546 HD12 LEU 546 -0.942 9.823 -7.045 1098 HD13 LEU 546 HD13 LEU 546 -2.226 10.197 -5.897 1099 HD21 LEU 546 HD21 LEU 546 1.661 11.727 -5.115 1100 HD22 LEU 546 HD22 LEU 546 1.407 10.932 -6.665 1101 HD23 LEU 546 HD23 LEU 546 1.347 9.991 -5.177 1102 H SER 547 H SER 547 -2.219 15.306 -5.996 1103 HA SER 547 HA SER 547 -1.561 16.424 -8.612 1104 HB2 SER 547 HB2 SER 547 -3.862 17.417 -8.488 1105 HB3 SER 547 HB3 SER 547 -3.836 15.658 -8.382 1106 HG SER 547 HG SER 547 -4.869 17.389 -6.657 1107 H GLN 548 H GLN 548 -2.633 17.759 -5.451 1108 HA GLN 548 HA GLN 548 -2.336 19.754 -4.426 1109 HB2 GLN 548 HB2 GLN 548 0.376 19.455 -5.703 1110 HB3 GLN 548 HB3 GLN 548 -0.010 20.754 -4.589 1111 HG2 GLN 548 HG2 GLN 548 -0.449 19.175 -2.817 1112 HG3 GLN 548 HG3 GLN 548 -0.227 17.835 -3.932 1113 HE21 GLN 548 HE21 GLN 548 1.229 17.518 -1.867 1114 HE22 GLN 548 HE22 GLN 548 2.881 17.970 -2.092 1115 H ILE 549 H ILE 549 -3.744 21.196 -5.169 1116 HA ILE 549 HA ILE 549 -3.097 22.717 -7.605 1117 HB ILE 549 HB ILE 549 -5.739 22.411 -6.145 1118 HG12 ILE 549 HG12 ILE 549 -5.039 21.505 -8.954 1119 HG13 ILE 549 HG13 ILE 549 -4.990 20.449 -7.554 1120 HG21 ILE 549 HG21 ILE 549 -6.776 23.712 -7.952 1121 HG22 ILE 549 HG22 ILE 549 -5.178 24.033 -8.628 1122 HG23 ILE 549 HG23 ILE 549 -5.606 24.662 -7.036 1123 HD11 ILE 549 HD11 ILE 549 -7.444 21.784 -8.696 1124 HD12 ILE 549 HD12 ILE 549 -7.416 20.757 -7.263 1125 HD13 ILE 549 HD13 ILE 549 -7.008 20.082 -8.840 1126 H SER 550 H SER 550 -4.624 23.330 -4.416 1127 HA SER 550 HA SER 550 -4.596 25.063 -2.961 1128 HB2 SER 550 HB2 SER 550 -1.795 25.405 -4.056 1129 HB3 SER 550 HB3 SER 550 -2.421 26.290 -2.665 1130 HG SER 550 HG SER 550 -2.971 23.933 -1.999 1131 H SER 551 H SER 551 -5.895 26.716 -3.186 1132 HA SER 551 HA SER 551 -5.415 28.651 -5.355 1133 HB2 SER 551 HB2 SER 551 -8.016 27.900 -3.988 1134 HB3 SER 551 HB3 SER 551 -7.850 29.176 -5.192 1135 HG SER 551 HG SER 551 -8.531 27.273 -6.187 Start of MODEL 9 1 H2 PRO 1 H2 PRO 1 18.666 3.545 -5.942 2 H3 PRO 1 H1 PRO 1 20.010 2.699 -5.562 3 HA PRO 1 HA PRO 1 17.498 1.836 -6.449 4 HB2 PRO 1 HB2 PRO 1 19.752 0.139 -7.449 5 HB3 PRO 1 HB3 PRO 1 18.088 0.283 -8.056 6 HG2 PRO 1 HG2 PRO 1 20.095 1.574 -9.208 7 HG3 PRO 1 HG3 PRO 1 18.593 2.214 -9.156 8 HD2 PRO 1 HD2 PRO 1 20.881 3.020 -7.633 9 HD3 PRO 1 HD3 PRO 1 19.583 3.930 -8.025 10 H SER 2 H SER 2 16.863 0.908 -4.620 11 HA SER 2 HA SER 2 18.621 -0.971 -3.248 12 HB2 SER 2 HB2 SER 2 18.686 1.422 -2.199 13 HB3 SER 2 HB3 SER 2 17.083 1.014 -1.589 14 HG SER 2 HG SER 2 17.945 -0.634 -0.415 15 H HIS 3 H HIS 3 17.601 -2.747 -2.653 16 HA HIS 3 HA HIS 3 14.715 -3.007 -2.905 17 HB2 HIS 3 HB2 HIS 3 16.863 -4.991 -2.155 18 HB3 HIS 3 HB3 HIS 3 15.188 -5.399 -2.344 19 HD1 HIS 3 HD1 HIS 3 17.024 -6.925 -4.085 20 HD2 HIS 3 HD2 HIS 3 15.527 -3.210 -5.202 21 HE1 HIS 3 HE1 HIS 3 17.203 -6.855 -6.592 22 HE2 HIS 3 HE2 HIS 3 16.311 -4.593 -7.246 23 H SER 4 H SER 4 16.779 -1.979 -0.522 24 HA SER 4 HA SER 4 14.820 -2.456 1.577 25 HB2 SER 4 HB2 SER 4 16.418 -3.356 3.153 26 HB3 SER 4 HB3 SER 4 16.418 -4.373 1.712 27 HG SER 4 HG SER 4 18.333 -2.427 2.480 28 H GLY 5 H GLY 5 14.836 -0.977 3.214 29 HA2 GLY 5 HA2 GLY 5 16.896 1.066 3.333 30 HA3 GLY 5 HA3 GLY 5 15.311 1.614 2.825 31 H ALA 6 H ALA 6 14.136 2.453 4.377 32 HA ALA 6 HA ALA 6 13.908 1.092 6.944 33 HB1 ALA 6 HB1 ALA 6 15.668 2.718 7.355 34 HB2 ALA 6 HB2 ALA 6 14.202 3.143 8.236 35 HB3 ALA 6 HB3 ALA 6 14.630 4.016 6.760 36 H ALA 7 H ALA 7 11.801 0.996 7.521 37 HA ALA 7 HA ALA 7 9.935 3.044 6.568 38 HB1 ALA 7 HB1 ALA 7 8.382 1.335 5.719 39 HB2 ALA 7 HB2 ALA 7 9.612 0.110 5.997 40 HB3 ALA 7 HB3 ALA 7 9.896 1.390 4.819 41 H ILE 8 H ILE 8 7.929 3.122 7.660 42 HA ILE 8 HA ILE 8 7.783 1.619 10.198 43 HB ILE 8 HB ILE 8 6.615 4.339 9.529 44 HG12 ILE 8 HG12 ILE 8 8.662 3.672 11.641 45 HG13 ILE 8 HG13 ILE 8 9.104 4.169 10.023 46 HG21 ILE 8 HG21 ILE 8 5.819 4.447 11.838 47 HG22 ILE 8 HG22 ILE 8 6.405 2.809 12.128 48 HG23 ILE 8 HG23 ILE 8 5.089 3.084 10.986 49 HD11 ILE 8 HD11 ILE 8 9.205 5.984 11.685 50 HD12 ILE 8 HD12 ILE 8 7.464 5.816 11.934 51 HD13 ILE 8 HD13 ILE 8 8.088 6.322 10.364 52 H PHE 9 H PHE 9 5.964 0.480 10.659 53 HA PHE 9 HA PHE 9 3.621 0.638 8.922 54 HB2 PHE 9 HB2 PHE 9 5.163 -1.076 7.934 55 HB3 PHE 9 HB3 PHE 9 5.066 -1.984 9.433 56 HD1 PHE 9 HD1 PHE 9 3.115 -0.791 6.525 57 HD2 PHE 9 HD2 PHE 9 3.258 -3.451 9.845 58 HE1 PHE 9 HE1 PHE 9 1.152 -1.981 5.652 59 HE2 PHE 9 HE2 PHE 9 1.294 -4.647 8.975 60 HZ PHE 9 HZ PHE 9 0.236 -3.914 6.875 61 H GLU 10 H GLU 10 1.874 0.666 10.149 62 HA GLU 10 HA GLU 10 0.441 0.542 11.898 63 HB2 GLU 10 HB2 GLU 10 2.008 -1.946 12.585 64 HB3 GLU 10 HB3 GLU 10 0.491 -1.486 13.341 65 HG2 GLU 10 HG2 GLU 10 -0.617 -1.603 11.164 66 HG3 GLU 10 HG3 GLU 10 0.902 -2.105 10.424 67 H LYS 11 H LYS 11 2.622 2.229 12.175 68 HA LYS 11 HA LYS 11 3.445 3.746 13.646 69 HB2 LYS 11 HB2 LYS 11 1.729 2.295 15.661 70 HB3 LYS 11 HB3 LYS 11 2.640 3.755 16.020 71 HG2 LYS 11 HG2 LYS 11 1.359 5.006 14.409 72 HG3 LYS 11 HG3 LYS 11 0.525 3.553 13.879 73 HD2 LYS 11 HD2 LYS 11 0.380 4.628 16.687 74 HD3 LYS 11 HD3 LYS 11 -0.777 5.056 15.429 75 HE2 LYS 11 HE2 LYS 11 -1.358 2.679 15.176 76 HE3 LYS 11 HE3 LYS 11 -0.215 2.278 16.453 77 HZ1 LYS 11 HZ1 LYS 11 -2.618 3.994 16.767 78 HZ2 LYS 11 HZ2 LYS 11 -1.528 3.592 17.996 79 HZ3 LYS 11 HZ3 LYS 11 -2.481 2.389 17.287 80 H VAL 12 H VAL 12 4.173 0.493 13.877 81 HA VAL 12 HA VAL 12 6.371 0.924 15.757 82 HB VAL 12 HB VAL 12 5.432 -1.638 14.431 83 HG11 VAL 12 HG11 VAL 12 7.612 -1.257 16.456 84 HG12 VAL 12 HG12 VAL 12 7.776 -1.835 14.799 85 HG13 VAL 12 HG13 VAL 12 6.924 -2.810 15.991 86 HG21 VAL 12 HG21 VAL 12 3.839 -0.924 16.101 87 HG22 VAL 12 HG22 VAL 12 5.129 -0.732 17.289 88 HG23 VAL 12 HG23 VAL 12 4.723 -2.337 16.684 89 H SER 13 H SER 13 8.325 1.463 15.074 90 HA SER 13 HA SER 13 8.769 1.784 12.245 91 HB2 SER 13 HB2 SER 13 9.413 3.600 13.730 92 HB3 SER 13 HB3 SER 13 10.496 2.526 14.614 93 HG SER 13 HG SER 13 10.976 3.930 12.375 94 H GLY 14 H GLY 14 10.305 0.864 10.980 95 HA2 GLY 14 HA2 GLY 14 12.076 -1.171 12.029 96 HA3 GLY 14 HA3 GLY 14 10.730 -1.792 11.097 97 H ILE 15 H ILE 15 12.258 -2.673 9.681 98 HA ILE 15 HA ILE 15 13.332 -0.744 7.729 99 HB ILE 15 HB ILE 15 14.607 -3.244 8.845 100 HG12 ILE 15 HG12 ILE 15 15.818 -0.492 8.485 101 HG13 ILE 15 HG13 ILE 15 15.039 -1.038 9.954 102 HG21 ILE 15 HG21 ILE 15 16.406 -3.081 7.172 103 HG22 ILE 15 HG22 ILE 15 15.465 -1.864 6.308 104 HG23 ILE 15 HG23 ILE 15 14.843 -3.509 6.471 105 HD11 ILE 15 HD11 ILE 15 17.588 -2.091 8.761 106 HD12 ILE 15 HD12 ILE 15 16.767 -2.817 10.143 107 HD13 ILE 15 HD13 ILE 15 17.392 -1.171 10.253 108 H ILE 16 H ILE 16 12.979 -1.226 5.576 109 HA ILE 16 HA ILE 16 11.134 -3.448 5.051 110 HB ILE 16 HB ILE 16 11.087 -0.693 4.330 111 HG12 ILE 16 HG12 ILE 16 9.317 -3.012 4.419 112 HG13 ILE 16 HG13 ILE 16 9.005 -1.343 4.857 113 HG21 ILE 16 HG21 ILE 16 10.886 -0.533 2.026 114 HG22 ILE 16 HG22 ILE 16 10.728 -2.280 1.814 115 HG23 ILE 16 HG23 ILE 16 12.299 -1.578 2.229 116 HD11 ILE 16 HD11 ILE 16 8.755 -2.601 2.138 117 HD12 ILE 16 HD12 ILE 16 8.693 -0.862 2.412 118 HD13 ILE 16 HD13 ILE 16 7.480 -1.908 3.141 119 H ALA 17 H ALA 17 11.553 -4.993 3.532 120 HA ALA 17 HA ALA 17 13.959 -4.749 1.863 121 HB1 ALA 17 HB1 ALA 17 14.620 -6.017 3.850 122 HB2 ALA 17 HB2 ALA 17 14.659 -7.027 2.404 123 HB3 ALA 17 HB3 ALA 17 13.322 -7.174 3.546 124 H ILE 18 H ILE 18 13.883 -5.826 -0.119 125 HA ILE 18 HA ILE 18 11.257 -6.951 -0.857 126 HB ILE 18 HB ILE 18 13.426 -5.814 -2.642 127 HG12 ILE 18 HG12 ILE 18 10.605 -4.852 -2.271 128 HG13 ILE 18 HG13 ILE 18 11.927 -4.241 -1.302 129 HG21 ILE 18 HG21 ILE 18 10.781 -6.986 -3.470 130 HG22 ILE 18 HG22 ILE 18 12.363 -7.721 -3.726 131 HG23 ILE 18 HG23 ILE 18 11.960 -6.206 -4.530 132 HD11 ILE 18 HD11 ILE 18 13.000 -3.543 -3.483 133 HD12 ILE 18 HD12 ILE 18 11.551 -2.662 -2.997 134 HD13 ILE 18 HD13 ILE 18 11.447 -3.904 -4.249 135 H ASN 19 H ASN 19 11.067 -8.986 -1.476 136 HA ASN 19 HA ASN 19 13.410 -10.738 -1.476 137 HB2 ASN 19 HB2 ASN 19 10.465 -11.301 -0.991 138 HB3 ASN 19 HB3 ASN 19 11.703 -12.544 -1.078 139 HD21 ASN 19 HD21 ASN 19 10.041 -12.109 1.126 140 HD22 ASN 19 HD22 ASN 19 11.022 -11.621 2.461 141 H GLU 20 H GLU 20 14.155 -10.937 -3.502 142 HA GLU 20 HA GLU 20 12.285 -11.884 -5.571 143 HB2 GLU 20 HB2 GLU 20 14.822 -10.290 -6.002 144 HB3 GLU 20 HB3 GLU 20 13.827 -10.953 -7.283 145 HG2 GLU 20 HG2 GLU 20 11.995 -9.477 -6.586 146 HG3 GLU 20 HG3 GLU 20 13.013 -8.830 -5.307 147 H ASP 21 H ASP 21 13.569 -13.235 -7.309 148 HA ASP 21 HA ASP 21 14.590 -15.211 -7.795 149 HB2 ASP 21 HB2 ASP 21 16.316 -14.563 -5.428 150 HB3 ASP 21 HB3 ASP 21 16.547 -15.977 -6.438 151 H VAL 22 H VAL 22 12.733 -14.659 -5.286 152 HA VAL 22 HA VAL 22 12.508 -17.416 -4.320 153 HB VAL 22 HB VAL 22 10.878 -16.436 -2.658 154 HG11 VAL 22 HG11 VAL 22 12.585 -15.466 -1.215 155 HG12 VAL 22 HG12 VAL 22 13.657 -15.279 -2.603 156 HG13 VAL 22 HG13 VAL 22 13.192 -16.891 -2.058 157 HG21 VAL 22 HG21 VAL 22 10.890 -14.004 -2.245 158 HG22 VAL 22 HG22 VAL 22 10.219 -14.387 -3.830 159 HG23 VAL 22 HG23 VAL 22 11.867 -13.766 -3.695 160 H SER 23 H SER 23 9.915 -17.744 -3.761 161 HA SER 23 HA SER 23 8.537 -17.871 -6.277 162 HB2 SER 23 HB2 SER 23 6.701 -18.780 -4.919 163 HB3 SER 23 HB3 SER 23 8.225 -19.512 -4.416 164 HG SER 23 HG SER 23 7.908 -17.358 -2.949 165 HA PRO 24 HA PRO 24 7.033 -14.449 -7.498 166 HB2 PRO 24 HB2 PRO 24 4.490 -14.041 -5.968 167 HB3 PRO 24 HB3 PRO 24 4.808 -13.828 -7.695 168 HG2 PRO 24 HG2 PRO 24 3.624 -15.987 -6.841 169 HG3 PRO 24 HG3 PRO 24 4.723 -16.091 -8.044 170 HD2 PRO 24 HD2 PRO 24 5.001 -16.945 -5.351 171 HD3 PRO 24 HD3 PRO 24 5.728 -17.557 -6.679 172 H ALA 25 H ALA 25 7.911 -12.542 -7.171 173 HA ALA 25 HA ALA 25 9.255 -12.052 -4.838 174 HB1 ALA 25 HB1 ALA 25 8.660 -10.065 -7.015 175 HB2 ALA 25 HB2 ALA 25 9.999 -11.212 -6.989 176 HB3 ALA 25 HB3 ALA 25 9.925 -9.915 -5.796 177 H GLU 26 H GLU 26 9.226 -10.617 -3.240 178 HA GLU 26 HA GLU 26 6.549 -9.685 -2.553 179 HB2 GLU 26 HB2 GLU 26 8.258 -10.840 -0.419 180 HB3 GLU 26 HB3 GLU 26 6.535 -10.818 -0.550 181 HG2 GLU 26 HG2 GLU 26 6.553 -12.645 -2.111 182 HG3 GLU 26 HG3 GLU 26 8.309 -12.600 -2.191 183 H LEU 27 H LEU 27 6.578 -8.340 -0.513 184 HA LEU 27 HA LEU 27 9.015 -6.723 -0.216 185 HB2 LEU 27 HB2 LEU 27 7.437 -5.478 -1.545 186 HB3 LEU 27 HB3 LEU 27 6.162 -5.773 -0.428 187 HG LEU 27 HG LEU 27 7.501 -4.334 1.202 188 HD11 LEU 27 HD11 LEU 27 8.850 -3.394 -1.296 189 HD12 LEU 27 HD12 LEU 27 9.608 -4.305 0.010 190 HD13 LEU 27 HD13 LEU 27 8.986 -2.683 0.312 191 HD21 LEU 27 HD21 LEU 27 6.208 -3.127 -1.213 192 HD22 LEU 27 HD22 LEU 27 6.647 -2.215 0.231 193 HD23 LEU 27 HD23 LEU 27 5.461 -3.512 0.334 194 H THR 28 H THR 28 9.776 -7.188 1.733 195 HA THR 28 HA THR 28 7.892 -8.021 3.829 196 HB THR 28 HB THR 28 10.810 -8.739 3.455 197 HG1 THR 28 HG1 THR 28 9.254 -9.841 2.108 198 HG21 THR 28 HG21 THR 28 10.474 -10.294 5.357 199 HG22 THR 28 HG22 THR 28 8.883 -9.585 5.634 200 HG23 THR 28 HG23 THR 28 10.341 -8.603 5.849 201 H TRP 29 H TRP 29 7.452 -6.370 5.147 202 HA TRP 29 HA TRP 29 9.546 -4.596 6.082 203 HB2 TRP 29 HB2 TRP 29 7.354 -3.578 5.808 204 HB3 TRP 29 HB3 TRP 29 6.615 -4.801 6.827 205 HD1 TRP 29 HD1 TRP 29 8.725 -1.616 7.036 206 HE1 TRP 29 HE1 TRP 29 8.752 -0.766 9.464 207 HE3 TRP 29 HE3 TRP 29 6.334 -5.534 9.310 208 HZ2 TRP 29 HZ2 TRP 29 7.882 -1.643 12.011 209 HZ3 TRP 29 HZ3 TRP 29 5.974 -5.434 11.743 210 HH2 TRP 29 HH2 TRP 29 6.730 -3.524 13.061 211 H ARG 30 H ARG 30 10.615 -4.761 7.938 212 HA ARG 30 HA ARG 30 9.645 -6.651 9.968 213 HB2 ARG 30 HB2 ARG 30 12.514 -6.135 9.183 214 HB3 ARG 30 HB3 ARG 30 12.018 -7.017 10.610 215 HG2 ARG 30 HG2 ARG 30 10.921 -8.689 9.189 216 HG3 ARG 30 HG3 ARG 30 11.486 -7.818 7.766 217 HD2 ARG 30 HD2 ARG 30 13.045 -9.533 8.075 218 HD3 ARG 30 HD3 ARG 30 13.811 -8.102 8.731 219 HE ARG 30 HE ARG 30 12.421 -9.780 10.640 220 HH11 ARG 30 HH11 ARG 30 15.510 -9.007 9.153 221 HH12 ARG 30 HH12 ARG 30 16.436 -9.774 10.401 222 HH21 ARG 30 HH21 ARG 30 13.665 -10.795 12.259 223 HH22 ARG 30 HH22 ARG 30 15.392 -10.780 12.153 224 H SER 31 H SER 31 10.036 -6.050 12.138 225 HA SER 31 HA SER 31 10.200 -3.257 12.718 226 HB2 SER 31 HB2 SER 31 10.134 -3.989 15.070 227 HB3 SER 31 HB3 SER 31 8.891 -4.778 14.120 228 HG SER 31 HG SER 31 10.128 -6.639 14.112 229 H THR 32 H THR 32 11.882 -2.349 14.209 230 HA THR 32 HA THR 32 14.323 -2.325 12.899 231 HB THR 32 HB THR 32 15.212 -1.152 14.995 232 HG1 THR 32 HG1 THR 32 13.694 -2.037 16.474 233 HG21 THR 32 HG21 THR 32 14.277 -0.018 12.969 234 HG22 THR 32 HG22 THR 32 14.056 0.885 14.468 235 HG23 THR 32 HG23 THR 32 12.703 -0.001 13.769 236 H ASP 33 H ASP 33 13.334 -4.492 15.424 237 HA ASP 33 HA ASP 33 16.057 -5.593 15.599 238 HB2 ASP 33 HB2 ASP 33 13.585 -6.301 17.196 239 HB3 ASP 33 HB3 ASP 33 15.195 -6.956 17.461 240 H GLY 34 H GLY 34 12.822 -6.257 14.470 241 HA2 GLY 34 HA2 GLY 34 12.339 -7.555 12.577 242 HA3 GLY 34 HA3 GLY 34 13.794 -8.495 12.816 243 H ASP 35 H ASP 35 11.891 -7.948 15.636 244 HA ASP 35 HA ASP 35 11.044 -10.663 15.864 245 HB2 ASP 35 HB2 ASP 35 9.937 -9.892 17.922 246 HB3 ASP 35 HB3 ASP 35 11.591 -9.322 17.832 247 H LYS 36 H LYS 36 9.598 -7.655 14.805 248 HA LYS 36 HA LYS 36 7.065 -9.016 14.184 249 HB2 LYS 36 HB2 LYS 36 7.839 -6.093 14.336 250 HB3 LYS 36 HB3 LYS 36 6.348 -6.632 13.591 251 HG2 LYS 36 HG2 LYS 36 5.644 -7.615 15.688 252 HG3 LYS 36 HG3 LYS 36 7.158 -7.110 16.445 253 HD2 LYS 36 HD2 LYS 36 6.285 -4.790 15.315 254 HD3 LYS 36 HD3 LYS 36 4.768 -5.562 15.788 255 HE2 LYS 36 HE2 LYS 36 5.537 -4.175 17.600 256 HE3 LYS 36 HE3 LYS 36 5.667 -5.872 18.062 257 HZ1 LYS 36 HZ1 LYS 36 7.902 -4.164 17.107 258 HZ2 LYS 36 HZ2 LYS 36 8.027 -5.792 17.548 259 HZ3 LYS 36 HZ3 LYS 36 7.631 -4.630 18.712 260 H VAL 37 H VAL 37 6.421 -9.295 12.059 261 HA VAL 37 HA VAL 37 7.982 -8.106 9.922 262 HB VAL 37 HB VAL 37 9.343 -10.034 10.462 263 HG11 VAL 37 HG11 VAL 37 7.718 -11.502 11.501 264 HG12 VAL 37 HG12 VAL 37 8.578 -12.344 10.212 265 HG13 VAL 37 HG13 VAL 37 6.933 -11.769 9.943 266 HG21 VAL 37 HG21 VAL 37 8.836 -9.299 8.035 267 HG22 VAL 37 HG22 VAL 37 8.008 -10.852 7.918 268 HG23 VAL 37 HG23 VAL 37 9.727 -10.793 8.322 269 H HIS 38 H HIS 38 6.852 -7.770 8.099 270 HA HIS 38 HA HIS 38 4.302 -9.182 7.658 271 HB2 HIS 38 HB2 HIS 38 4.838 -6.208 7.482 272 HB3 HIS 38 HB3 HIS 38 3.458 -6.961 6.696 273 HD1 HIS 38 HD1 HIS 38 1.478 -7.635 8.172 274 HD2 HIS 38 HD2 HIS 38 4.693 -6.102 10.315 275 HE1 HIS 38 HE1 HIS 38 0.610 -7.243 10.500 276 HE2 HIS 38 HE2 HIS 38 2.572 -6.320 11.781 277 H THR 39 H THR 39 3.780 -9.566 5.442 278 HA THR 39 HA THR 39 5.961 -9.005 3.542 279 HB THR 39 HB THR 39 4.601 -11.681 3.935 280 HG1 THR 39 HG1 THR 39 6.393 -10.987 5.369 281 HG21 THR 39 HG21 THR 39 5.005 -11.317 1.551 282 HG22 THR 39 HG22 THR 39 6.130 -12.518 2.186 283 HG23 THR 39 HG23 THR 39 6.676 -10.868 1.889 284 H VAL 40 H VAL 40 5.358 -8.144 1.693 285 HA VAL 40 HA VAL 40 2.567 -8.403 0.758 286 HB VAL 40 HB VAL 40 4.636 -6.264 0.189 287 HG11 VAL 40 HG11 VAL 40 3.083 -5.017 -1.064 288 HG12 VAL 40 HG12 VAL 40 1.743 -6.046 -0.567 289 HG13 VAL 40 HG13 VAL 40 2.952 -6.664 -1.694 290 HG21 VAL 40 HG21 VAL 40 3.171 -4.770 1.447 291 HG22 VAL 40 HG22 VAL 40 3.851 -6.072 2.422 292 HG23 VAL 40 HG23 VAL 40 2.174 -6.158 1.881 293 H VAL 41 H VAL 41 2.527 -10.088 -0.713 294 HA VAL 41 HA VAL 41 4.698 -10.537 -2.565 295 HB VAL 41 HB VAL 41 1.939 -11.832 -2.435 296 HG11 VAL 41 HG11 VAL 41 4.374 -12.610 -4.046 297 HG12 VAL 41 HG12 VAL 41 2.817 -12.065 -4.674 298 HG13 VAL 41 HG13 VAL 41 2.940 -13.616 -3.841 299 HG21 VAL 41 HG21 VAL 41 3.272 -12.299 -0.454 300 HG22 VAL 41 HG22 VAL 41 4.631 -12.803 -1.463 301 HG23 VAL 41 HG23 VAL 41 3.138 -13.748 -1.453 302 H LEU 42 H LEU 42 4.861 -9.557 -4.533 303 HA LEU 42 HA LEU 42 3.035 -7.440 -5.110 304 HB2 LEU 42 HB2 LEU 42 5.526 -8.366 -6.493 305 HB3 LEU 42 HB3 LEU 42 4.516 -7.134 -7.193 306 HG LEU 42 HG LEU 42 6.324 -6.031 -6.112 307 HD11 LEU 42 HD11 LEU 42 4.006 -5.099 -5.805 308 HD12 LEU 42 HD12 LEU 42 5.234 -4.534 -4.681 309 HD13 LEU 42 HD13 LEU 42 4.068 -5.745 -4.165 310 HD21 LEU 42 HD21 LEU 42 5.628 -7.511 -3.588 311 HD22 LEU 42 HD22 LEU 42 6.884 -6.286 -3.768 312 HD23 LEU 42 HD23 LEU 42 7.027 -7.828 -4.614 313 H SER 43 H SER 43 3.298 -10.682 -6.332 314 HA SER 43 HA SER 43 2.103 -10.267 -8.887 315 HB2 SER 43 HB2 SER 43 1.852 -12.690 -8.973 316 HB3 SER 43 HB3 SER 43 3.418 -12.277 -8.289 317 HG SER 43 HG SER 43 2.319 -13.935 -7.112 318 H THR 44 H THR 44 0.835 -10.079 -5.778 319 HA THR 44 HA THR 44 -1.912 -10.201 -6.813 320 HB THR 44 HB THR 44 -2.686 -10.540 -4.501 321 HG1 THR 44 HG1 THR 44 0.073 -10.417 -3.956 322 HG21 THR 44 HG21 THR 44 -2.309 -12.532 -5.874 323 HG22 THR 44 HG22 THR 44 -1.949 -12.855 -4.177 324 HG23 THR 44 HG23 THR 44 -0.633 -12.601 -5.323 325 H ILE 45 H ILE 45 0.333 -8.061 -6.588 326 HA ILE 45 HA ILE 45 -1.311 -5.877 -5.481 327 HB ILE 45 HB ILE 45 1.674 -5.952 -5.994 328 HG12 ILE 45 HG12 ILE 45 1.021 -7.294 -4.026 329 HG13 ILE 45 HG13 ILE 45 1.983 -5.901 -3.572 330 HG21 ILE 45 HG21 ILE 45 1.896 -3.772 -5.073 331 HG22 ILE 45 HG22 ILE 45 0.190 -3.720 -4.625 332 HG23 ILE 45 HG23 ILE 45 0.656 -3.695 -6.325 333 HD11 ILE 45 HD11 ILE 45 0.141 -6.375 -2.002 334 HD12 ILE 45 HD12 ILE 45 -1.017 -6.081 -3.292 335 HD13 ILE 45 HD13 ILE 45 0.019 -4.770 -2.722 336 H ASP 46 H ASP 46 -1.775 -4.094 -6.776 337 HA ASP 46 HA ASP 46 -1.307 -4.511 -9.651 338 HB2 ASP 46 HB2 ASP 46 -3.666 -4.679 -8.970 339 HB3 ASP 46 HB3 ASP 46 -3.595 -3.070 -8.285 340 H LYS 47 H LYS 47 -1.710 -1.817 -7.285 341 HA LYS 47 HA LYS 47 0.085 -0.210 -8.920 342 HB2 LYS 47 HB2 LYS 47 -2.530 0.578 -7.601 343 HB3 LYS 47 HB3 LYS 47 -1.373 1.707 -8.282 344 HG2 LYS 47 HG2 LYS 47 -1.616 0.730 -10.423 345 HG3 LYS 47 HG3 LYS 47 -2.776 -0.435 -9.805 346 HD2 LYS 47 HD2 LYS 47 -4.299 1.397 -9.248 347 HD3 LYS 47 HD3 LYS 47 -3.121 2.570 -9.827 348 HE2 LYS 47 HE2 LYS 47 -4.548 2.376 -11.624 349 HE3 LYS 47 HE3 LYS 47 -3.272 1.238 -12.024 350 HZ1 LYS 47 HZ1 LYS 47 -5.896 0.538 -10.832 351 HZ2 LYS 47 HZ2 LYS 47 -4.664 -0.555 -11.216 352 HZ3 LYS 47 HZ3 LYS 47 -5.451 0.298 -12.446 353 H LEU 48 H LEU 48 0.651 1.877 -7.543 354 HA LEU 48 HA LEU 48 1.082 1.351 -4.711 355 HB2 LEU 48 HB2 LEU 48 3.673 2.081 -5.500 356 HB3 LEU 48 HB3 LEU 48 3.182 0.509 -4.917 357 HG LEU 48 HG LEU 48 2.701 -0.117 -7.312 358 HD11 LEU 48 HD11 LEU 48 3.220 2.615 -7.753 359 HD12 LEU 48 HD12 LEU 48 2.907 1.363 -8.950 360 HD13 LEU 48 HD13 LEU 48 4.567 1.716 -8.458 361 HD21 LEU 48 HD21 LEU 48 5.528 0.632 -6.646 362 HD22 LEU 48 HD22 LEU 48 4.987 -0.608 -7.779 363 HD23 LEU 48 HD23 LEU 48 4.693 -0.808 -6.055 364 H GLN 49 H GLN 49 1.159 3.325 -3.597 365 HA GLN 49 HA GLN 49 1.516 5.772 -5.209 366 HB2 GLN 49 HB2 GLN 49 -0.748 5.132 -3.306 367 HB3 GLN 49 HB3 GLN 49 -0.342 6.771 -3.741 368 HG2 GLN 49 HG2 GLN 49 -0.787 6.308 -6.086 369 HG3 GLN 49 HG3 GLN 49 -1.131 4.623 -5.698 370 HE21 GLN 49 HE21 GLN 49 -2.844 6.543 -6.995 371 HE22 GLN 49 HE22 GLN 49 -4.259 6.709 -6.017 372 H ALA 50 H ALA 50 3.185 6.923 -4.443 373 HA ALA 50 HA ALA 50 3.801 6.823 -1.557 374 HB1 ALA 50 HB1 ALA 50 6.136 7.070 -2.112 375 HB2 ALA 50 HB2 ALA 50 5.733 7.264 -3.821 376 HB3 ALA 50 HB3 ALA 50 5.451 5.719 -3.018 377 H THR 51 H THR 51 4.716 8.683 -0.539 378 HA THR 51 HA THR 51 3.426 11.134 -1.235 379 HB THR 51 HB THR 51 4.679 12.124 0.696 380 HG1 THR 51 HG1 THR 51 6.435 10.405 0.382 381 HG21 THR 51 HG21 THR 51 2.525 11.212 1.201 382 HG22 THR 51 HG22 THR 51 3.623 10.608 2.446 383 HG23 THR 51 HG23 THR 51 3.133 9.556 1.126 384 HA PRO 52 HA PRO 52 6.718 12.849 -3.939 385 HB2 PRO 52 HB2 PRO 52 5.224 15.351 -3.426 386 HB3 PRO 52 HB3 PRO 52 5.708 14.630 -4.960 387 HG2 PRO 52 HG2 PRO 52 3.216 14.552 -4.140 388 HG3 PRO 52 HG3 PRO 52 3.856 13.312 -4.988 389 HD2 PRO 52 HD2 PRO 52 3.302 13.383 -2.152 390 HD3 PRO 52 HD3 PRO 52 3.213 12.089 -3.143 391 H ALA 53 H ALA 53 8.283 14.627 -3.770 392 HA ALA 53 HA ALA 53 9.309 14.965 -1.115 393 HB1 ALA 53 HB1 ALA 53 10.765 14.663 -3.075 394 HB2 ALA 53 HB2 ALA 53 11.147 16.134 -2.180 395 HB3 ALA 53 HB3 ALA 53 10.240 16.231 -3.690 396 H SER 54 H SER 54 7.041 16.694 -2.927 397 HA SER 54 HA SER 54 7.442 19.177 -1.441 398 HB2 SER 54 HB2 SER 54 5.740 20.125 -2.905 399 HB3 SER 54 HB3 SER 54 6.997 19.334 -3.842 400 HG SER 54 HG SER 54 5.481 17.446 -3.754 401 H SER 55 H SER 55 5.822 16.265 -1.127 402 HA SER 55 HA SER 55 3.419 17.164 0.127 403 HB2 SER 55 HB2 SER 55 3.330 15.090 -0.986 404 HB3 SER 55 HB3 SER 55 4.714 14.464 -0.089 405 HG SER 55 HG SER 55 2.262 15.249 1.102 406 H GLU 56 H GLU 56 2.874 17.326 2.189 407 HA GLU 56 HA GLU 56 4.671 17.773 4.293 408 HB2 GLU 56 HB2 GLU 56 1.800 16.863 4.484 409 HB3 GLU 56 HB3 GLU 56 2.702 17.723 5.717 410 HG2 GLU 56 HG2 GLU 56 1.295 19.288 4.692 411 HG3 GLU 56 HG3 GLU 56 2.914 19.622 4.083 412 H LYS 57 H LYS 57 3.443 14.888 2.991 413 HA LYS 57 HA LYS 57 3.628 13.348 5.432 414 HB2 LYS 57 HB2 LYS 57 2.605 12.655 2.700 415 HB3 LYS 57 HB3 LYS 57 2.482 11.652 4.110 416 HG2 LYS 57 HG2 LYS 57 1.197 14.317 3.749 417 HG3 LYS 57 HG3 LYS 57 0.392 12.779 3.597 418 HD2 LYS 57 HD2 LYS 57 0.967 12.328 5.977 419 HD3 LYS 57 HD3 LYS 57 1.571 13.987 6.082 420 HE2 LYS 57 HE2 LYS 57 -0.705 14.709 5.208 421 HE3 LYS 57 HE3 LYS 57 -1.209 13.039 5.507 422 HZ1 LYS 57 HZ1 LYS 57 -0.141 14.895 7.566 423 HZ2 LYS 57 HZ2 LYS 57 -0.663 13.308 7.832 424 HZ3 LYS 57 HZ3 LYS 57 -1.771 14.496 7.360 425 H MET 58 H MET 58 4.777 11.438 5.628 426 HA MET 58 HA MET 58 6.582 10.694 3.420 427 HB2 MET 58 HB2 MET 58 7.115 10.554 6.394 428 HB3 MET 58 HB3 MET 58 8.125 9.787 5.195 429 HG2 MET 58 HG2 MET 58 8.654 11.956 4.221 430 HG3 MET 58 HG3 MET 58 7.601 12.749 5.387 431 HE1 MET 58 HE1 MET 58 8.133 13.140 7.864 432 HE2 MET 58 HE2 MET 58 9.503 12.446 8.734 433 HE3 MET 58 HE3 MET 58 8.192 11.406 8.172 434 H MET 59 H MET 59 5.368 9.097 2.536 435 HA MET 59 HA MET 59 4.832 6.689 4.025 436 HB2 MET 59 HB2 MET 59 2.676 7.041 4.425 437 HB3 MET 59 HB3 MET 59 2.819 8.654 3.784 438 HG2 MET 59 HG2 MET 59 2.354 7.747 1.558 439 HG3 MET 59 HG3 MET 59 2.095 6.163 2.248 440 HE1 MET 59 HE1 MET 59 0.897 9.379 4.160 441 HE2 MET 59 HE2 MET 59 -0.743 9.622 3.566 442 HE3 MET 59 HE3 MET 59 0.642 10.002 2.528 443 H LEU 60 H LEU 60 4.173 4.922 2.730 444 HA LEU 60 HA LEU 60 4.228 5.272 -0.179 445 HB2 LEU 60 HB2 LEU 60 6.460 4.587 0.334 446 HB3 LEU 60 HB3 LEU 60 5.901 3.369 1.451 447 HG LEU 60 HG LEU 60 4.985 2.085 -0.479 448 HD11 LEU 60 HD11 LEU 60 5.562 2.651 -2.705 449 HD12 LEU 60 HD12 LEU 60 6.493 4.057 -2.166 450 HD13 LEU 60 HD13 LEU 60 4.737 4.029 -1.973 451 HD21 LEU 60 HD21 LEU 60 7.920 2.743 -0.653 452 HD22 LEU 60 HD22 LEU 60 7.122 1.359 -1.423 453 HD23 LEU 60 HD23 LEU 60 7.180 1.479 0.342 454 H ARG 61 H ARG 61 2.380 4.438 -0.951 455 HA ARG 61 HA ARG 61 0.939 2.461 0.666 456 HB2 ARG 61 HB2 ARG 61 -0.336 4.447 0.082 457 HB3 ARG 61 HB3 ARG 61 -0.024 4.200 -1.613 458 HG2 ARG 61 HG2 ARG 61 -1.400 2.193 -1.586 459 HG3 ARG 61 HG3 ARG 61 -1.657 2.406 0.140 460 HD2 ARG 61 HD2 ARG 61 -2.609 4.266 -2.021 461 HD3 ARG 61 HD3 ARG 61 -3.589 3.141 -1.088 462 HE ARG 61 HE ARG 61 -2.599 5.711 -0.226 463 HH11 ARG 61 HH11 ARG 61 -3.947 2.625 0.785 464 HH12 ARG 61 HH12 ARG 61 -4.492 3.228 2.313 465 HH21 ARG 61 HH21 ARG 61 -3.333 6.475 1.799 466 HH22 ARG 61 HH22 ARG 61 -4.149 5.399 2.883 467 H LEU 62 H LEU 62 0.224 0.544 -0.155 468 HA LEU 62 HA LEU 62 1.200 -0.277 -2.808 469 HB2 LEU 62 HB2 LEU 62 1.417 -1.587 -0.145 470 HB3 LEU 62 HB3 LEU 62 1.152 -2.610 -1.535 471 HG LEU 62 HG LEU 62 3.500 -2.552 -0.900 472 HD11 LEU 62 HD11 LEU 62 4.454 -2.008 -3.070 473 HD12 LEU 62 HD12 LEU 62 2.965 -1.169 -3.508 474 HD13 LEU 62 HD13 LEU 62 2.943 -2.908 -3.211 475 HD21 LEU 62 HD21 LEU 62 3.524 -0.237 0.039 476 HD22 LEU 62 HD22 LEU 62 3.541 0.377 -1.611 477 HD23 LEU 62 HD23 LEU 62 4.879 -0.613 -1.024 478 H ILE 63 H ILE 63 -0.569 -0.276 -3.994 479 HA ILE 63 HA ILE 63 -3.184 -0.909 -2.903 480 HB ILE 63 HB ILE 63 -2.311 -0.003 -5.644 481 HG12 ILE 63 HG12 ILE 63 -3.787 1.597 -3.550 482 HG13 ILE 63 HG13 ILE 63 -2.066 1.723 -3.840 483 HG21 ILE 63 HG21 ILE 63 -5.123 -0.231 -4.606 484 HG22 ILE 63 HG22 ILE 63 -4.389 -1.235 -5.858 485 HG23 ILE 63 HG23 ILE 63 -4.653 0.488 -6.151 486 HD11 ILE 63 HD11 ILE 63 -3.257 3.555 -4.858 487 HD12 ILE 63 HD12 ILE 63 -4.242 2.424 -5.787 488 HD13 ILE 63 HD13 ILE 63 -2.506 2.545 -6.093 489 H GLY 64 H GLY 64 -4.323 -2.732 -3.278 490 HA2 GLY 64 HA2 GLY 64 -2.755 -4.975 -4.267 491 HA3 GLY 64 HA3 GLY 64 -4.164 -5.074 -3.237 492 H LYS 65 H LYS 65 -3.764 -6.749 -5.378 493 HA LYS 65 HA LYS 65 -5.365 -5.897 -7.611 494 HB2 LYS 65 HB2 LYS 65 -3.489 -7.459 -7.900 495 HB3 LYS 65 HB3 LYS 65 -4.325 -8.641 -6.898 496 HG2 LYS 65 HG2 LYS 65 -6.143 -8.730 -8.513 497 HG3 LYS 65 HG3 LYS 65 -5.310 -7.544 -9.519 498 HD2 LYS 65 HD2 LYS 65 -3.451 -9.083 -9.815 499 HD3 LYS 65 HD3 LYS 65 -4.256 -10.273 -8.793 500 HE2 LYS 65 HE2 LYS 65 -6.118 -10.352 -10.410 501 HE3 LYS 65 HE3 LYS 65 -5.276 -9.178 -11.419 502 HZ1 LYS 65 HZ1 LYS 65 -3.485 -10.776 -11.707 503 HZ2 LYS 65 HZ2 LYS 65 -4.958 -11.434 -12.216 504 HZ3 LYS 65 HZ3 LYS 65 -4.293 -11.897 -10.730 505 H VAL 66 H VAL 66 -7.477 -5.938 -7.711 506 HA VAL 66 HA VAL 66 -8.978 -7.393 -5.682 507 HB VAL 66 HB VAL 66 -9.220 -4.995 -5.562 508 HG11 VAL 66 HG11 VAL 66 -10.503 -3.838 -7.427 509 HG12 VAL 66 HG12 VAL 66 -9.969 -5.198 -8.418 510 HG13 VAL 66 HG13 VAL 66 -8.782 -4.157 -7.640 511 HG21 VAL 66 HG21 VAL 66 -11.747 -6.275 -6.536 512 HG22 VAL 66 HG22 VAL 66 -11.642 -4.763 -5.629 513 HG23 VAL 66 HG23 VAL 66 -11.137 -6.280 -4.884 514 H ASP 67 H ASP 67 -10.415 -8.909 -6.200 515 HA ASP 67 HA ASP 67 -10.983 -9.445 -9.016 516 HB2 ASP 67 HB2 ASP 67 -10.261 -11.323 -7.522 517 HB3 ASP 67 HB3 ASP 67 -11.729 -11.091 -6.586 518 H GLU 68 H GLU 68 -12.296 -7.589 -9.291 519 HA GLU 68 HA GLU 68 -14.429 -6.894 -7.571 520 HB2 GLU 68 HB2 GLU 68 -14.974 -5.195 -9.198 521 HB3 GLU 68 HB3 GLU 68 -13.231 -5.284 -8.995 522 HG2 GLU 68 HG2 GLU 68 -13.052 -6.576 -11.066 523 HG3 GLU 68 HG3 GLU 68 -14.801 -6.489 -11.284 524 H SER 69 H SER 69 -14.312 -9.473 -9.638 525 HA SER 69 HA SER 69 -17.058 -9.495 -10.509 526 HB2 SER 69 HB2 SER 69 -16.589 -11.727 -11.329 527 HB3 SER 69 HB3 SER 69 -15.229 -10.679 -11.731 528 HG SER 69 HG SER 69 -13.995 -11.915 -10.575 529 H LYS 70 H LYS 70 -15.762 -9.749 -7.515 530 HA LYS 70 HA LYS 70 -17.511 -11.829 -6.461 531 HB2 LYS 70 HB2 LYS 70 -15.414 -10.064 -5.195 532 HB3 LYS 70 HB3 LYS 70 -16.437 -11.140 -4.257 533 HG2 LYS 70 HG2 LYS 70 -15.567 -13.055 -5.531 534 HG3 LYS 70 HG3 LYS 70 -14.529 -11.967 -6.441 535 HD2 LYS 70 HD2 LYS 70 -13.376 -11.342 -4.346 536 HD3 LYS 70 HD3 LYS 70 -14.412 -12.452 -3.453 537 HE2 LYS 70 HE2 LYS 70 -13.462 -14.344 -4.553 538 HE3 LYS 70 HE3 LYS 70 -12.608 -13.319 -5.706 539 HZ1 LYS 70 HZ1 LYS 70 -12.078 -13.443 -2.784 540 HZ2 LYS 70 HZ2 LYS 70 -11.257 -12.462 -3.894 541 HZ3 LYS 70 HZ3 LYS 70 -11.122 -14.146 -3.991 542 H LYS 71 H LYS 71 -18.642 -9.439 -7.651 543 HA LYS 71 HA LYS 71 -19.467 -7.370 -6.097 544 HB2 LYS 71 HB2 LYS 71 -21.145 -8.840 -8.140 545 HB3 LYS 71 HB3 LYS 71 -21.503 -7.242 -7.521 546 HG2 LYS 71 HG2 LYS 71 -19.453 -6.386 -8.498 547 HG3 LYS 71 HG3 LYS 71 -19.067 -7.991 -9.111 548 HD2 LYS 71 HD2 LYS 71 -21.111 -7.959 -10.470 549 HD3 LYS 71 HD3 LYS 71 -21.494 -6.351 -9.853 550 HE2 LYS 71 HE2 LYS 71 -19.339 -5.559 -10.780 551 HE3 LYS 71 HE3 LYS 71 -19.122 -7.136 -11.535 552 HZ1 LYS 71 HZ1 LYS 71 -20.046 -5.549 -13.098 553 HZ2 LYS 71 HZ2 LYS 71 -21.352 -5.241 -12.067 554 HZ3 LYS 71 HZ3 LYS 71 -21.177 -6.765 -12.778 555 H ARG 72 H ARG 72 -20.463 -7.165 -4.246 556 HA ARG 72 HA ARG 72 -22.203 -9.315 -3.257 557 HB2 ARG 72 HB2 ARG 72 -20.662 -7.120 -1.854 558 HB3 ARG 72 HB3 ARG 72 -21.774 -8.196 -1.035 559 HG2 ARG 72 HG2 ARG 72 -20.337 -10.112 -1.879 560 HG3 ARG 72 HG3 ARG 72 -19.154 -8.885 -2.331 561 HD2 ARG 72 HD2 ARG 72 -18.598 -9.782 -0.158 562 HD3 ARG 72 HD3 ARG 72 -19.111 -8.105 0.013 563 HE ARG 72 HE ARG 72 -20.715 -10.465 0.756 564 HH11 ARG 72 HH11 ARG 72 -20.065 -7.024 1.057 565 HH12 ARG 72 HH12 ARG 72 -21.194 -6.809 2.352 566 HH21 ARG 72 HH21 ARG 72 -22.186 -10.157 2.450 567 HH22 ARG 72 HH22 ARG 72 -22.391 -8.582 3.140 568 H LYS 73 H LYS 73 -24.198 -8.743 -2.182 569 HA LYS 73 HA LYS 73 -25.227 -6.050 -2.793 570 HB2 LYS 73 HB2 LYS 73 -26.712 -8.680 -3.055 571 HB3 LYS 73 HB3 LYS 73 -27.486 -7.102 -3.119 572 HG2 LYS 73 HG2 LYS 73 -26.093 -6.533 -5.069 573 HG3 LYS 73 HG3 LYS 73 -25.415 -8.159 -5.028 574 HD2 LYS 73 HD2 LYS 73 -27.685 -9.073 -5.341 575 HD3 LYS 73 HD3 LYS 73 -28.303 -7.422 -5.459 576 HE2 LYS 73 HE2 LYS 73 -26.880 -7.022 -7.396 577 HE3 LYS 73 HE3 LYS 73 -26.252 -8.666 -7.286 578 HZ1 LYS 73 HZ1 LYS 73 -29.084 -7.934 -7.801 579 HZ2 LYS 73 HZ2 LYS 73 -28.478 -9.508 -7.698 580 HZ3 LYS 73 HZ3 LYS 73 -27.985 -8.493 -8.960 581 H ASP 74 H ASP 74 -26.577 -5.139 -1.269 582 HA ASP 74 HA ASP 74 -26.203 -6.144 1.422 583 HB2 ASP 74 HB2 ASP 74 -26.948 -3.944 2.161 584 HB3 ASP 74 HB3 ASP 74 -25.738 -3.772 0.899 585 H ASN 75 H ASN 75 -28.418 -5.140 2.793 586 HA ASN 75 HA ASN 75 -30.175 -7.303 2.731 587 HB2 ASN 75 HB2 ASN 75 -30.421 -4.553 3.928 588 HB3 ASN 75 HB3 ASN 75 -31.677 -5.768 4.131 589 HD21 ASN 75 HD21 ASN 75 -30.255 -4.615 6.244 590 HD22 ASN 75 HD22 ASN 75 -29.305 -5.843 7.002 591 H GLU 76 H GLU 76 -30.365 -4.280 0.968 592 HA GLU 76 HA GLU 76 -33.169 -4.667 0.292 593 HB2 GLU 76 HB2 GLU 76 -31.223 -2.465 -0.417 594 HB3 GLU 76 HB3 GLU 76 -32.907 -2.493 -0.922 595 HG2 GLU 76 HG2 GLU 76 -33.611 -2.448 1.421 596 HG3 GLU 76 HG3 GLU 76 -31.923 -2.424 1.925 597 H GLY 77 H GLY 77 -30.090 -5.346 -1.079 598 HA2 GLY 77 HA2 GLY 77 -29.856 -6.852 -2.918 599 HA3 GLY 77 HA3 GLY 77 -31.388 -6.276 -3.549 600 H ASN 78 H ASN 78 -29.219 -3.876 -2.416 601 HA ASN 78 HA ASN 78 -28.710 -2.940 -5.129 602 HB2 ASN 78 HB2 ASN 78 -28.202 -1.716 -2.407 603 HB3 ASN 78 HB3 ASN 78 -27.706 -0.953 -3.912 604 HD21 ASN 78 HD21 ASN 78 -29.519 0.048 -1.919 605 HD22 ASN 78 HD22 ASN 78 -31.043 0.290 -2.696 606 H GLU 79 H GLU 79 -26.613 -2.563 -5.965 607 HA GLU 79 HA GLU 79 -24.778 -4.641 -5.299 608 HB2 GLU 79 HB2 GLU 79 -25.164 -3.870 -7.618 609 HB3 GLU 79 HB3 GLU 79 -24.394 -2.353 -7.195 610 HG2 GLU 79 HG2 GLU 79 -22.304 -3.465 -6.792 611 HG3 GLU 79 HG3 GLU 79 -23.042 -5.031 -7.096 612 H VAL 80 H VAL 80 -23.435 -4.597 -3.675 613 HA VAL 80 HA VAL 80 -21.978 -2.106 -3.096 614 HB VAL 80 HB VAL 80 -22.610 -4.291 -1.091 615 HG11 VAL 80 HG11 VAL 80 -21.647 -2.763 0.564 616 HG12 VAL 80 HG12 VAL 80 -21.220 -1.644 -0.730 617 HG13 VAL 80 HG13 VAL 80 -20.467 -3.236 -0.658 618 HG21 VAL 80 HG21 VAL 80 -24.082 -2.733 0.016 619 HG22 VAL 80 HG22 VAL 80 -24.586 -2.914 -1.668 620 HG23 VAL 80 HG23 VAL 80 -23.694 -1.481 -1.163 621 H VAL 81 H VAL 81 -20.120 -2.307 -4.126 622 HA VAL 81 HA VAL 81 -18.957 -4.944 -4.438 623 HB VAL 81 HB VAL 81 -18.280 -2.374 -5.858 624 HG11 VAL 81 HG11 VAL 81 -16.314 -3.743 -5.857 625 HG12 VAL 81 HG12 VAL 81 -17.030 -3.789 -7.469 626 HG13 VAL 81 HG13 VAL 81 -17.240 -5.154 -6.372 627 HG21 VAL 81 HG21 VAL 81 -19.787 -4.766 -6.909 628 HG22 VAL 81 HG22 VAL 81 -19.396 -3.299 -7.807 629 HG23 VAL 81 HG23 VAL 81 -20.506 -3.227 -6.437 630 HA PRO 82 HA PRO 82 -15.800 -4.124 -1.306 631 HB2 PRO 82 HB2 PRO 82 -14.149 -6.214 -1.873 632 HB3 PRO 82 HB3 PRO 82 -15.656 -6.405 -0.974 633 HG2 PRO 82 HG2 PRO 82 -15.173 -6.883 -3.826 634 HG3 PRO 82 HG3 PRO 82 -15.977 -7.829 -2.765 635 HD2 PRO 82 HD2 PRO 82 -17.296 -6.298 -4.352 636 HD3 PRO 82 HD3 PRO 82 -17.827 -6.524 -2.824 637 H LYS 83 H LYS 83 -13.851 -3.131 -1.214 638 HA LYS 83 HA LYS 83 -12.792 -2.193 -3.769 639 HB2 LYS 83 HB2 LYS 83 -12.454 -1.124 -0.968 640 HB3 LYS 83 HB3 LYS 83 -11.678 -0.417 -2.368 641 HG2 LYS 83 HG2 LYS 83 -13.880 0.060 -3.325 642 HG3 LYS 83 HG3 LYS 83 -14.641 -0.626 -1.904 643 HD2 LYS 83 HD2 LYS 83 -13.619 1.098 -0.498 644 HD3 LYS 83 HD3 LYS 83 -12.829 1.784 -1.916 645 HE2 LYS 83 HE2 LYS 83 -14.951 2.364 -2.881 646 HE3 LYS 83 HE3 LYS 83 -15.822 1.571 -1.565 647 HZ1 LYS 83 HZ1 LYS 83 -14.060 3.956 -1.295 648 HZ2 LYS 83 HZ2 LYS 83 -14.895 3.202 -0.030 649 HZ3 LYS 83 HZ3 LYS 83 -15.753 3.973 -1.268 650 HA PRO 84 HA PRO 84 -8.837 -4.262 -3.498 651 HB2 PRO 84 HB2 PRO 84 -7.030 -2.385 -4.218 652 HB3 PRO 84 HB3 PRO 84 -8.099 -3.163 -5.385 653 HG2 PRO 84 HG2 PRO 84 -8.388 -0.531 -4.122 654 HG3 PRO 84 HG3 PRO 84 -8.562 -0.920 -5.699 655 HD2 PRO 84 HD2 PRO 84 -10.824 -0.838 -4.156 656 HD3 PRO 84 HD3 PRO 84 -10.728 -2.002 -5.298 657 H GLN 85 H GLN 85 -6.987 -4.502 -2.227 658 HA GLN 85 HA GLN 85 -7.096 -3.011 0.288 659 HB2 GLN 85 HB2 GLN 85 -5.655 -5.560 -0.422 660 HB3 GLN 85 HB3 GLN 85 -5.570 -4.790 1.151 661 HG2 GLN 85 HG2 GLN 85 -7.952 -5.104 1.470 662 HG3 GLN 85 HG3 GLN 85 -8.092 -5.801 -0.141 663 HE21 GLN 85 HE21 GLN 85 -9.086 -7.377 1.612 664 HE22 GLN 85 HE22 GLN 85 -8.029 -8.665 2.071 665 H ARG 86 H ARG 86 -5.685 -1.598 0.915 666 HA ARG 86 HA ARG 86 -3.267 -1.158 -0.737 667 HB2 ARG 86 HB2 ARG 86 -4.871 0.917 0.783 668 HB3 ARG 86 HB3 ARG 86 -3.486 1.223 -0.254 669 HG2 ARG 86 HG2 ARG 86 -4.722 0.614 -2.205 670 HG3 ARG 86 HG3 ARG 86 -6.058 0.002 -1.238 671 HD2 ARG 86 HD2 ARG 86 -6.463 2.277 -0.395 672 HD3 ARG 86 HD3 ARG 86 -5.160 2.877 -1.419 673 HE ARG 86 HE ARG 86 -7.447 1.499 -2.639 674 HH11 ARG 86 HH11 ARG 86 -5.589 4.456 -2.241 675 HH12 ARG 86 HH12 ARG 86 -6.380 5.263 -3.553 676 HH21 ARG 86 HH21 ARG 86 -8.464 2.577 -4.353 677 HH22 ARG 86 HH22 ARG 86 -8.005 4.202 -4.744 678 H HIS 87 H HIS 87 -1.311 -0.813 0.309 679 HA HIS 87 HA HIS 87 -1.295 -1.089 3.252 680 HB2 HIS 87 HB2 HIS 87 0.648 -2.338 1.291 681 HB3 HIS 87 HB3 HIS 87 0.765 -2.446 3.037 682 HD1 HIS 87 HD1 HIS 87 -1.112 -3.919 4.222 683 HD2 HIS 87 HD2 HIS 87 -0.941 -4.204 0.078 684 HE1 HIS 87 HE1 HIS 87 -2.363 -6.023 3.638 685 HE2 HIS 87 HE2 HIS 87 -2.191 -6.208 1.132 686 H MET 88 H MET 88 -0.431 0.653 4.225 687 HA MET 88 HA MET 88 1.285 2.477 2.678 688 HB2 MET 88 HB2 MET 88 -0.185 2.818 5.305 689 HB3 MET 88 HB3 MET 88 0.883 4.011 4.621 690 HG2 MET 88 HG2 MET 88 -0.532 4.362 2.733 691 HG3 MET 88 HG3 MET 88 -1.521 2.999 3.184 692 HE1 MET 88 HE1 MET 88 -0.204 6.377 4.993 693 HE2 MET 88 HE2 MET 88 -0.130 4.941 6.019 694 HE3 MET 88 HE3 MET 88 -1.290 6.217 6.378 695 H PHE 89 H PHE 89 3.297 3.180 3.414 696 HA PHE 89 HA PHE 89 4.375 2.103 5.922 697 HB2 PHE 89 HB2 PHE 89 5.882 2.056 3.299 698 HB3 PHE 89 HB3 PHE 89 6.559 1.655 4.858 699 HD1 PHE 89 HD1 PHE 89 4.543 0.511 2.079 700 HD2 PHE 89 HD2 PHE 89 5.987 -0.459 5.954 701 HE1 PHE 89 HE1 PHE 89 3.954 -1.830 1.684 702 HE2 PHE 89 HE2 PHE 89 5.386 -2.818 5.586 703 HZ PHE 89 HZ PHE 89 4.367 -3.509 3.450 704 H SER 90 H SER 90 5.278 3.729 7.086 705 HA SER 90 HA SER 90 5.571 6.347 5.872 706 HB2 SER 90 HB2 SER 90 5.685 5.323 8.669 707 HB3 SER 90 HB3 SER 90 6.295 6.928 8.305 708 HG SER 90 HG SER 90 3.982 6.675 8.928 709 H PHE 91 H PHE 91 7.447 7.563 5.784 710 HA PHE 91 HA PHE 91 9.968 6.034 5.887 711 HB2 PHE 91 HB2 PHE 91 8.732 7.538 3.612 712 HB3 PHE 91 HB3 PHE 91 10.484 7.480 3.740 713 HD1 PHE 91 HD1 PHE 91 7.477 5.301 3.628 714 HD2 PHE 91 HD2 PHE 91 11.651 5.651 2.855 715 HE1 PHE 91 HE1 PHE 91 7.461 3.089 2.544 716 HE2 PHE 91 HE2 PHE 91 11.624 3.435 1.774 717 HZ PHE 91 HZ PHE 91 9.575 2.199 1.544 718 H ASN 92 H ASN 92 11.889 7.594 5.428 719 HA ASN 92 HA ASN 92 11.486 10.142 6.853 720 HB2 ASN 92 HB2 ASN 92 13.901 8.313 6.988 721 HB3 ASN 92 HB3 ASN 92 13.765 9.877 7.783 722 HD21 ASN 92 HD21 ASN 92 13.342 6.579 8.106 723 HD22 ASN 92 HD22 ASN 92 12.409 6.574 9.560 724 H ASN 93 H ASN 93 12.573 8.594 4.012 725 HA ASN 93 HA ASN 93 13.586 11.116 2.923 726 HB2 ASN 93 HB2 ASN 93 15.561 9.788 3.712 727 HB3 ASN 93 HB3 ASN 93 15.105 8.514 2.587 728 HD21 ASN 93 HD21 ASN 93 17.457 9.153 2.060 729 HD22 ASN 93 HD22 ASN 93 17.641 10.303 0.785 730 H ARG 94 H ARG 94 13.262 11.375 0.723 731 HA ARG 94 HA ARG 94 11.203 9.729 -0.435 732 HB2 ARG 94 HB2 ARG 94 12.464 11.830 -2.091 733 HB3 ARG 94 HB3 ARG 94 10.767 11.442 -1.855 734 HG2 ARG 94 HG2 ARG 94 12.422 12.771 0.264 735 HG3 ARG 94 HG3 ARG 94 11.572 13.679 -0.981 736 HD2 ARG 94 HD2 ARG 94 9.458 12.772 -0.237 737 HD3 ARG 94 HD3 ARG 94 10.268 11.749 0.936 738 HE ARG 94 HE ARG 94 11.051 14.281 1.593 739 HH11 ARG 94 HH11 ARG 94 7.919 12.716 1.276 740 HH12 ARG 94 HH12 ARG 94 7.167 13.730 2.463 741 HH21 ARG 94 HH21 ARG 94 10.044 15.591 3.141 742 HH22 ARG 94 HH22 ARG 94 8.369 15.355 3.516 743 H THR 95 H THR 95 14.637 9.905 -0.725 744 HA THR 95 HA THR 95 14.814 8.781 -3.373 745 HB THR 95 HB THR 95 17.220 8.606 -2.947 746 HG1 THR 95 HG1 THR 95 18.054 9.068 -0.888 747 HG21 THR 95 HG21 THR 95 16.125 11.188 -1.809 748 HG22 THR 95 HG22 THR 95 16.364 10.840 -3.522 749 HG23 THR 95 HG23 THR 95 17.754 10.947 -2.442 750 H VAL 96 H VAL 96 14.492 7.497 -0.136 751 HA VAL 96 HA VAL 96 15.273 4.809 -0.811 752 HB VAL 96 HB VAL 96 13.571 5.741 1.532 753 HG11 VAL 96 HG11 VAL 96 15.080 3.143 1.280 754 HG12 VAL 96 HG12 VAL 96 13.373 3.302 0.883 755 HG13 VAL 96 HG13 VAL 96 13.924 3.606 2.531 756 HG21 VAL 96 HG21 VAL 96 16.500 5.013 1.537 757 HG22 VAL 96 HG22 VAL 96 15.551 5.648 2.885 758 HG23 VAL 96 HG23 VAL 96 15.892 6.666 1.483 759 H MET 97 H MET 97 12.038 6.206 -0.024 760 HA MET 97 HA MET 97 10.408 4.135 -0.850 761 HB2 MET 97 HB2 MET 97 8.612 5.738 -1.107 762 HB3 MET 97 HB3 MET 97 9.597 6.191 0.270 763 HG2 MET 97 HG2 MET 97 10.694 7.876 -1.063 764 HG3 MET 97 HG3 MET 97 9.679 7.471 -2.439 765 HE1 MET 97 HE1 MET 97 9.979 9.166 1.006 766 HE2 MET 97 HE2 MET 97 8.791 7.950 1.482 767 HE3 MET 97 HE3 MET 97 8.331 9.650 1.401 768 H ASP 98 H ASP 98 11.833 6.643 -2.898 769 HA ASP 98 HA ASP 98 10.621 5.738 -5.321 770 HB2 ASP 98 HB2 ASP 98 12.887 7.591 -4.630 771 HB3 ASP 98 HB3 ASP 98 12.585 7.171 -6.308 772 H ASN 99 H ASN 99 13.410 4.681 -3.550 773 HA ASN 99 HA ASN 99 14.466 3.112 -5.756 774 HB2 ASN 99 HB2 ASN 99 15.268 3.478 -2.880 775 HB3 ASN 99 HB3 ASN 99 15.942 2.165 -3.830 776 HD21 ASN 99 HD21 ASN 99 17.370 4.318 -2.660 777 HD22 ASN 99 HD22 ASN 99 18.109 5.216 -3.939 778 H ILE 100 H ILE 100 12.440 2.601 -2.895 779 HA ILE 100 HA ILE 100 12.262 -0.253 -3.232 780 HB ILE 100 HB ILE 100 10.312 1.536 -1.741 781 HG12 ILE 100 HG12 ILE 100 12.507 1.902 -0.748 782 HG13 ILE 100 HG13 ILE 100 11.511 0.991 0.341 783 HG21 ILE 100 HG21 ILE 100 9.544 -0.352 -0.564 784 HG22 ILE 100 HG22 ILE 100 10.868 -1.358 -1.151 785 HG23 ILE 100 HG23 ILE 100 9.605 -0.836 -2.259 786 HD11 ILE 100 HD11 ILE 100 13.745 -0.111 -1.349 787 HD12 ILE 100 HD12 ILE 100 12.733 -1.044 -0.247 788 HD13 ILE 100 HD13 ILE 100 13.800 0.211 0.385 789 H LYS 101 H LYS 101 9.970 2.437 -3.824 790 HA LYS 101 HA LYS 101 7.928 1.159 -5.138 791 HB2 LYS 101 HB2 LYS 101 7.859 3.481 -4.400 792 HB3 LYS 101 HB3 LYS 101 9.020 3.919 -5.643 793 HG2 LYS 101 HG2 LYS 101 7.413 3.353 -7.378 794 HG3 LYS 101 HG3 LYS 101 6.266 2.823 -6.150 795 HD2 LYS 101 HD2 LYS 101 6.181 5.113 -5.253 796 HD3 LYS 101 HD3 LYS 101 7.323 5.624 -6.493 797 HE2 LYS 101 HE2 LYS 101 5.645 4.857 -8.203 798 HE3 LYS 101 HE3 LYS 101 4.493 4.672 -6.878 799 HZ1 LYS 101 HZ1 LYS 101 4.784 7.026 -6.366 800 HZ2 LYS 101 HZ2 LYS 101 4.240 6.811 -7.953 801 HZ3 LYS 101 HZ3 LYS 101 5.862 7.190 -7.662 802 H MET 102 H MET 102 10.881 2.489 -6.618 803 HA MET 102 HA MET 102 10.346 1.970 -9.300 804 HB2 MET 102 HB2 MET 102 12.211 3.285 -8.605 805 HB3 MET 102 HB3 MET 102 12.942 1.916 -7.819 806 HG2 MET 102 HG2 MET 102 12.888 0.871 -10.216 807 HG3 MET 102 HG3 MET 102 12.743 2.549 -10.714 808 HE1 MET 102 HE1 MET 102 14.948 -0.208 -9.112 809 HE2 MET 102 HE2 MET 102 16.512 0.318 -9.736 810 HE3 MET 102 HE3 MET 102 15.199 -0.057 -10.850 811 H THR 103 H THR 103 12.172 -0.173 -7.081 812 HA THR 103 HA THR 103 12.320 -2.397 -8.751 813 HB THR 103 HB THR 103 12.084 -2.417 -5.725 814 HG1 THR 103 HG1 THR 103 13.976 -1.481 -5.894 815 HG21 THR 103 HG21 THR 103 13.225 -4.498 -7.607 816 HG22 THR 103 HG22 THR 103 11.744 -4.661 -6.666 817 HG23 THR 103 HG23 THR 103 13.302 -4.560 -5.848 818 H LEU 104 H LEU 104 9.900 -1.879 -6.138 819 HA LEU 104 HA LEU 104 8.116 -3.882 -6.520 820 HB2 LEU 104 HB2 LEU 104 7.526 -0.953 -6.008 821 HB3 LEU 104 HB3 LEU 104 6.330 -2.206 -5.835 822 HG LEU 104 HG LEU 104 8.845 -1.988 -4.189 823 HD11 LEU 104 HD11 LEU 104 6.861 -1.624 -2.434 824 HD12 LEU 104 HD12 LEU 104 6.106 -0.908 -3.860 825 HD13 LEU 104 HD13 LEU 104 7.646 -0.293 -3.268 826 HD21 LEU 104 HD21 LEU 104 7.686 -4.289 -4.566 827 HD22 LEU 104 HD22 LEU 104 6.466 -3.632 -3.465 828 HD23 LEU 104 HD23 LEU 104 8.139 -3.790 -2.941 829 H GLN 105 H GLN 105 7.803 -0.698 -8.065 830 HA GLN 105 HA GLN 105 5.773 -1.180 -9.878 831 HB2 GLN 105 HB2 GLN 105 6.733 1.038 -9.378 832 HB3 GLN 105 HB3 GLN 105 8.179 0.626 -10.272 833 HG2 GLN 105 HG2 GLN 105 6.891 0.482 -12.330 834 HG3 GLN 105 HG3 GLN 105 5.411 0.811 -11.438 835 HE21 GLN 105 HE21 GLN 105 5.652 2.430 -13.384 836 HE22 GLN 105 HE22 GLN 105 6.263 3.984 -12.937 837 H GLN 106 H GLN 106 9.123 -2.114 -10.161 838 HA GLN 106 HA GLN 106 8.916 -2.808 -12.974 839 HB2 GLN 106 HB2 GLN 106 11.144 -2.912 -10.939 840 HB3 GLN 106 HB3 GLN 106 11.306 -3.664 -12.516 841 HG2 GLN 106 HG2 GLN 106 10.894 -1.519 -13.591 842 HG3 GLN 106 HG3 GLN 106 10.771 -0.726 -12.027 843 HE21 GLN 106 HE21 GLN 106 12.785 -1.479 -14.561 844 HE22 GLN 106 HE22 GLN 106 14.311 -1.218 -13.794 845 H ILE 107 H ILE 107 8.520 -4.316 -9.907 846 HA ILE 107 HA ILE 107 8.691 -7.034 -10.843 847 HB ILE 107 HB ILE 107 7.745 -5.831 -8.226 848 HG12 ILE 107 HG12 ILE 107 10.200 -7.491 -8.865 849 HG13 ILE 107 HG13 ILE 107 10.188 -5.753 -8.754 850 HG21 ILE 107 HG21 ILE 107 6.491 -7.890 -8.647 851 HG22 ILE 107 HG22 ILE 107 7.606 -8.066 -7.296 852 HG23 ILE 107 HG23 ILE 107 8.006 -8.771 -8.865 853 HD11 ILE 107 HD11 ILE 107 9.782 -5.801 -6.417 854 HD12 ILE 107 HD12 ILE 107 11.112 -6.913 -6.757 855 HD13 ILE 107 HD13 ILE 107 9.492 -7.537 -6.449 856 H ILE 108 H ILE 108 6.032 -4.750 -10.118 857 HA ILE 108 HA ILE 108 3.946 -6.679 -10.495 858 HB ILE 108 HB ILE 108 3.804 -3.650 -10.441 859 HG12 ILE 108 HG12 ILE 108 2.737 -5.576 -8.409 860 HG13 ILE 108 HG13 ILE 108 4.410 -5.091 -8.372 861 HG21 ILE 108 HG21 ILE 108 1.934 -4.613 -11.763 862 HG22 ILE 108 HG22 ILE 108 1.378 -3.880 -10.256 863 HG23 ILE 108 HG23 ILE 108 1.520 -5.637 -10.384 864 HD11 ILE 108 HD11 ILE 108 2.113 -3.174 -8.234 865 HD12 ILE 108 HD12 ILE 108 3.824 -2.819 -7.996 866 HD13 ILE 108 HD13 ILE 108 2.962 -3.824 -6.833 867 H SER 109 H SER 109 5.507 -4.322 -12.564 868 HA SER 109 HA SER 109 3.839 -4.514 -14.833 869 HB2 SER 109 HB2 SER 109 5.667 -3.523 -16.066 870 HB3 SER 109 HB3 SER 109 5.575 -2.762 -14.478 871 HG SER 109 HG SER 109 7.204 -4.907 -14.403 872 H ARG 110 H ARG 110 6.118 -6.752 -13.529 873 HA ARG 110 HA ARG 110 6.368 -8.393 -15.895 874 HB2 ARG 110 HB2 ARG 110 8.118 -8.461 -14.184 875 HB3 ARG 110 HB3 ARG 110 6.954 -9.003 -12.985 876 HG2 ARG 110 HG2 ARG 110 8.299 -10.847 -13.742 877 HG3 ARG 110 HG3 ARG 110 6.630 -11.076 -14.249 878 HD2 ARG 110 HD2 ARG 110 7.234 -10.175 -16.481 879 HD3 ARG 110 HD3 ARG 110 8.917 -10.097 -15.956 880 HE ARG 110 HE ARG 110 8.240 -12.680 -15.502 881 HH11 ARG 110 HH11 ARG 110 8.016 -10.649 -18.363 882 HH12 ARG 110 HH12 ARG 110 8.195 -11.980 -19.458 883 HH21 ARG 110 HH21 ARG 110 8.473 -14.401 -16.954 884 HH22 ARG 110 HH22 ARG 110 8.455 -14.100 -18.660 885 H TYR 111 H TYR 111 4.495 -8.493 -12.890 886 HA TYR 111 HA TYR 111 2.881 -10.755 -13.715 887 HB2 TYR 111 HB2 TYR 111 2.514 -8.860 -11.387 888 HB3 TYR 111 HB3 TYR 111 1.628 -10.354 -11.648 889 HD1 TYR 111 HD1 TYR 111 4.585 -8.891 -10.260 890 HD2 TYR 111 HD2 TYR 111 2.942 -12.547 -11.699 891 HE1 TYR 111 HE1 TYR 111 6.336 -10.141 -9.078 892 HE2 TYR 111 HE2 TYR 111 4.691 -13.803 -10.519 893 HH TYR 111 HH TYR 111 6.961 -13.419 -9.661 894 H LYS 112 H LYS 112 2.963 -7.669 -14.727 895 HA LYS 112 HA LYS 112 0.097 -7.175 -14.941 896 HB2 LYS 112 HB2 LYS 112 1.656 -5.355 -14.336 897 HB3 LYS 112 HB3 LYS 112 2.472 -5.553 -15.879 898 HG2 LYS 112 HG2 LYS 112 0.391 -4.913 -17.029 899 HG3 LYS 112 HG3 LYS 112 -0.381 -4.693 -15.472 900 HD2 LYS 112 HD2 LYS 112 1.240 -2.911 -14.928 901 HD3 LYS 112 HD3 LYS 112 1.987 -3.126 -16.508 902 HE2 LYS 112 HE2 LYS 112 -0.874 -2.257 -16.051 903 HE3 LYS 112 HE3 LYS 112 0.465 -1.169 -16.397 904 HZ1 LYS 112 HZ1 LYS 112 -0.474 -3.337 -18.202 905 HZ2 LYS 112 HZ2 LYS 112 0.744 -2.212 -18.538 906 HZ3 LYS 112 HZ3 LYS 112 -0.857 -1.697 -18.372 907 H ASP 113 H ASP 113 2.876 -8.071 -16.880 908 HA ASP 113 HA ASP 113 1.423 -8.116 -19.381 909 HB2 ASP 113 HB2 ASP 113 4.237 -8.812 -18.554 910 HB3 ASP 113 HB3 ASP 113 3.639 -9.110 -20.173 911 H ALA 114 H ALA 114 2.557 -10.373 -16.924 912 HA ALA 114 HA ALA 114 2.292 -12.574 -16.542 913 HB1 ALA 114 HB1 ALA 114 -0.046 -11.832 -16.381 914 HB2 ALA 114 HB2 ALA 114 0.094 -13.508 -16.913 915 HB3 ALA 114 HB3 ALA 114 -0.278 -12.240 -18.080 916 H ASP 115 H ASP 115 4.045 -13.294 -17.676 917 HA ASP 115 HA ASP 115 3.499 -14.521 -20.301 918 HB2 ASP 115 HB2 ASP 115 5.282 -12.801 -20.334 919 HB3 ASP 115 HB3 ASP 115 6.177 -13.733 -19.141 920 H1 GLY 519 H1 GLY 519 3.775 12.045 26.836 921 H2 GLY 519 H2 GLY 519 4.812 12.840 25.763 922 H3 GLY 519 H3 GLY 519 5.088 11.219 26.159 923 HA2 GLY 519 HA2 GLY 519 2.751 12.267 24.657 924 HA3 GLY 519 HA3 GLY 519 4.114 11.409 23.956 925 H SER 520 H SER 520 1.082 11.143 25.489 926 HA SER 520 HA SER 520 1.362 8.216 25.698 927 HB2 SER 520 HB2 SER 520 0.843 9.199 27.854 928 HB3 SER 520 HB3 SER 520 -0.516 10.087 27.164 929 HG SER 520 HG SER 520 -0.257 7.283 27.488 930 HA PRO 521 HA PRO 521 -1.429 8.465 22.022 931 HB2 PRO 521 HB2 PRO 521 -0.888 5.537 22.125 932 HB3 PRO 521 HB3 PRO 521 -0.814 6.635 20.752 933 HG2 PRO 521 HG2 PRO 521 1.383 5.849 21.799 934 HG3 PRO 521 HG3 PRO 521 1.235 7.432 21.426 935 HD2 PRO 521 HD2 PRO 521 0.955 6.240 24.067 936 HD3 PRO 521 HD3 PRO 521 1.830 7.565 23.684 937 H GLY 522 H GLY 522 -3.544 7.740 21.608 938 HA2 GLY 522 HA2 GLY 522 -4.945 5.740 22.944 939 HA3 GLY 522 HA3 GLY 522 -5.150 7.210 23.884 940 H TYR 523 H TYR 523 -7.437 6.645 23.288 941 HA TYR 523 HA TYR 523 -9.384 7.059 22.216 942 HB2 TYR 523 HB2 TYR 523 -8.595 9.412 22.452 943 HB3 TYR 523 HB3 TYR 523 -7.882 9.310 20.848 944 HD1 TYR 523 HD1 TYR 523 -11.127 9.106 22.661 945 HD2 TYR 523 HD2 TYR 523 -9.171 9.789 18.941 946 HE1 TYR 523 HE1 TYR 523 -13.260 9.833 21.679 947 HE2 TYR 523 HE2 TYR 523 -11.302 10.517 17.950 948 HH TYR 523 HH TYR 523 -13.711 10.220 18.340 949 HA PRO 524 HA PRO 524 -8.232 4.758 18.330 950 HB2 PRO 524 HB2 PRO 524 -10.027 2.712 18.708 951 HB3 PRO 524 HB3 PRO 524 -8.359 2.682 19.295 952 HG2 PRO 524 HG2 PRO 524 -10.797 3.196 20.807 953 HG3 PRO 524 HG3 PRO 524 -9.400 2.523 21.320 954 HD2 PRO 524 HD2 PRO 524 -10.144 4.941 21.848 955 HD3 PRO 524 HD3 PRO 524 -8.604 4.405 21.939 956 H ASN 525 H ASN 525 -11.453 5.316 19.721 957 HA ASN 525 HA ASN 525 -13.519 5.612 18.838 958 HB2 ASN 525 HB2 ASN 525 -12.554 7.875 18.770 959 HB3 ASN 525 HB3 ASN 525 -12.008 7.600 17.125 960 HD21 ASN 525 HD21 ASN 525 -13.181 9.427 16.458 961 HD22 ASN 525 HD22 ASN 525 -14.895 9.377 16.261 962 H GLY 526 H GLY 526 -13.989 3.621 17.968 963 HA2 GLY 526 HA2 GLY 526 -15.139 2.571 16.199 964 HA3 GLY 526 HA3 GLY 526 -14.341 3.647 15.065 965 H LEU 527 H LEU 527 -14.375 0.559 16.459 966 HA LEU 527 HA LEU 527 -11.819 -0.115 15.138 967 HB2 LEU 527 HB2 LEU 527 -12.984 -1.402 17.623 968 HB3 LEU 527 HB3 LEU 527 -11.523 -1.895 16.798 969 HG LEU 527 HG LEU 527 -11.847 0.804 18.108 970 HD11 LEU 527 HD11 LEU 527 -12.012 -0.931 19.796 971 HD12 LEU 527 HD12 LEU 527 -10.455 -0.112 19.913 972 HD13 LEU 527 HD13 LEU 527 -10.558 -1.707 19.167 973 HD21 LEU 527 HD21 LEU 527 -10.133 0.665 16.326 974 HD22 LEU 527 HD22 LEU 527 -9.373 -0.669 17.196 975 HD23 LEU 527 HD23 LEU 527 -9.434 0.936 17.923 976 H LEU 528 H LEU 528 -12.512 -0.934 13.253 977 HA LEU 528 HA LEU 528 -14.301 -3.269 13.353 978 HB2 LEU 528 HB2 LEU 528 -13.394 -1.585 11.000 979 HB3 LEU 528 HB3 LEU 528 -14.405 -3.004 10.861 980 HG LEU 528 HG LEU 528 -15.208 -0.469 12.308 981 HD11 LEU 528 HD11 LEU 528 -16.696 -0.134 10.369 982 HD12 LEU 528 HD12 LEU 528 -15.921 -1.502 9.568 983 HD13 LEU 528 HD13 LEU 528 -14.989 -0.051 9.938 984 HD21 LEU 528 HD21 LEU 528 -17.449 -1.426 12.287 985 HD22 LEU 528 HD22 LEU 528 -16.335 -2.492 13.144 986 HD23 LEU 528 HD23 LEU 528 -16.838 -2.880 11.499 987 H SER 529 H SER 529 -11.174 -2.340 13.438 988 HA SER 529 HA SER 529 -10.063 -4.938 13.007 989 HB2 SER 529 HB2 SER 529 -8.507 -4.387 11.209 990 HB3 SER 529 HB3 SER 529 -10.157 -4.153 10.642 991 HG SER 529 HG SER 529 -8.549 -2.437 10.182 992 H GLY 530 H GLY 530 -9.439 -1.458 13.258 993 HA2 GLY 530 HA2 GLY 530 -8.483 -0.456 15.176 994 HA3 GLY 530 HA3 GLY 530 -7.699 -1.976 15.555 995 H ASP 531 H ASP 531 -6.781 -2.164 12.656 996 HA ASP 531 HA ASP 531 -4.699 -0.087 12.725 997 HB2 ASP 531 HB2 ASP 531 -4.281 -2.968 11.902 998 HB3 ASP 531 HB3 ASP 531 -3.055 -1.707 11.906 999 H GLU 532 H GLU 532 -7.154 -1.545 11.027 1000 HA GLU 532 HA GLU 532 -6.221 -0.519 8.446 1001 HB2 GLU 532 HB2 GLU 532 -8.134 -2.749 9.086 1002 HB3 GLU 532 HB3 GLU 532 -7.803 -2.159 7.483 1003 HG2 GLU 532 HG2 GLU 532 -5.465 -2.832 7.740 1004 HG3 GLU 532 HG3 GLU 532 -5.831 -3.436 9.352 1005 H ASP 533 H ASP 533 -7.948 0.485 10.837 1006 HA ASP 533 HA ASP 533 -10.437 1.187 9.495 1007 HB2 ASP 533 HB2 ASP 533 -9.504 1.596 12.346 1008 HB3 ASP 533 HB3 ASP 533 -11.073 2.109 11.741 1009 H PHE 534 H PHE 534 -7.478 2.730 10.647 1010 HA PHE 534 HA PHE 534 -8.528 5.359 9.929 1011 HB2 PHE 534 HB2 PHE 534 -6.542 6.298 11.048 1012 HB3 PHE 534 HB3 PHE 534 -7.475 5.261 12.112 1013 HD1 PHE 534 HD1 PHE 534 -4.450 5.347 9.976 1014 HD2 PHE 534 HD2 PHE 534 -6.439 3.485 13.244 1015 HE1 PHE 534 HE1 PHE 534 -2.408 4.075 10.488 1016 HE2 PHE 534 HE2 PHE 534 -4.396 2.215 13.769 1017 HZ PHE 534 HZ PHE 534 -2.377 2.509 12.389 1018 H SER 535 H SER 535 -6.902 2.939 8.377 1019 HA SER 535 HA SER 535 -5.273 4.672 6.709 1020 HB2 SER 535 HB2 SER 535 -4.572 2.627 5.581 1021 HB3 SER 535 HB3 SER 535 -4.397 2.449 7.321 1022 HG SER 535 HG SER 535 -6.568 1.426 7.180 1023 H SER 536 H SER 536 -8.480 3.715 6.831 1024 HA SER 536 HA SER 536 -8.993 3.818 3.982 1025 HB2 SER 536 HB2 SER 536 -11.329 3.528 4.599 1026 HB3 SER 536 HB3 SER 536 -10.321 2.303 5.351 1027 HG SER 536 HG SER 536 -10.713 4.612 6.822 1028 H ILE 537 H ILE 537 -9.215 5.912 6.773 1029 HA ILE 537 HA ILE 537 -10.363 8.086 5.208 1030 HB ILE 537 HB ILE 537 -10.297 9.383 7.329 1031 HG12 ILE 537 HG12 ILE 537 -9.348 6.836 8.669 1032 HG13 ILE 537 HG13 ILE 537 -8.288 8.177 8.273 1033 HG21 ILE 537 HG21 ILE 537 -12.019 8.150 8.571 1034 HG22 ILE 537 HG22 ILE 537 -11.660 6.704 7.629 1035 HG23 ILE 537 HG23 ILE 537 -12.324 8.131 6.835 1036 HD11 ILE 537 HD11 ILE 537 -8.829 8.318 10.591 1037 HD12 ILE 537 HD12 ILE 537 -10.553 8.157 10.260 1038 HD13 ILE 537 HD13 ILE 537 -9.699 9.618 9.769 1039 H ALA 538 H ALA 538 -7.280 6.962 6.361 1040 HA ALA 538 HA ALA 538 -5.940 9.395 5.554 1041 HB1 ALA 538 HB1 ALA 538 -3.910 8.389 6.317 1042 HB2 ALA 538 HB2 ALA 538 -4.661 6.797 6.368 1043 HB3 ALA 538 HB3 ALA 538 -5.164 8.043 7.507 1044 H ASP 539 H ASP 539 -7.358 7.066 3.916 1045 HA ASP 539 HA ASP 539 -5.470 6.943 1.686 1046 HB2 ASP 539 HB2 ASP 539 -6.724 4.888 2.260 1047 HB3 ASP 539 HB3 ASP 539 -8.240 5.738 1.981 1048 H MET 540 H MET 540 -8.441 8.446 2.730 1049 HA MET 540 HA MET 540 -9.049 9.873 0.343 1050 HB2 MET 540 HB2 MET 540 -9.758 10.354 3.239 1051 HB3 MET 540 HB3 MET 540 -10.367 11.337 1.917 1052 HG2 MET 540 HG2 MET 540 -10.839 8.391 2.336 1053 HG3 MET 540 HG3 MET 540 -12.007 9.685 2.577 1054 HE1 MET 540 HE1 MET 540 -12.772 10.852 -1.072 1055 HE2 MET 540 HE2 MET 540 -11.733 11.585 0.149 1056 HE3 MET 540 HE3 MET 540 -13.301 10.923 0.608 1057 H ASP 541 H ASP 541 -6.770 10.270 2.875 1058 HA ASP 541 HA ASP 541 -6.138 13.009 2.514 1059 HB2 ASP 541 HB2 ASP 541 -4.878 10.688 3.911 1060 HB3 ASP 541 HB3 ASP 541 -4.003 12.193 3.759 1061 H PHE 542 H PHE 542 -4.966 10.001 1.083 1062 HA PHE 542 HA PHE 542 -2.631 11.249 -0.077 1063 HB2 PHE 542 HB2 PHE 542 -2.671 8.881 0.763 1064 HB3 PHE 542 HB3 PHE 542 -3.651 8.466 -0.639 1065 HD1 PHE 542 HD1 PHE 542 -0.465 8.546 0.629 1066 HD2 PHE 542 HD2 PHE 542 -2.544 9.286 -2.975 1067 HE1 PHE 542 HE1 PHE 542 1.619 8.168 -0.629 1068 HE2 PHE 542 HE2 PHE 542 -0.479 8.926 -4.248 1069 HZ PHE 542 HZ PHE 542 1.514 8.458 -3.230 1070 H SER 543 H SER 543 -5.876 10.523 -1.082 1071 HA SER 543 HA SER 543 -5.377 10.267 -3.875 1072 HB2 SER 543 HB2 SER 543 -7.812 10.282 -4.112 1073 HB3 SER 543 HB3 SER 543 -7.320 9.236 -2.784 1074 HG SER 543 HG SER 543 -8.993 11.284 -2.709 1075 H ALA 544 H ALA 544 -6.118 12.993 -1.810 1076 HA ALA 544 HA ALA 544 -6.513 14.793 -4.069 1077 HB1 ALA 544 HB1 ALA 544 -6.940 16.500 -2.389 1078 HB2 ALA 544 HB2 ALA 544 -6.434 15.395 -1.112 1079 HB3 ALA 544 HB3 ALA 544 -7.889 15.053 -2.048 1080 H LEU 545 H LEU 545 -3.942 13.549 -2.310 1081 HA LEU 545 HA LEU 545 -2.212 15.873 -2.427 1082 HB2 LEU 545 HB2 LEU 545 -1.978 13.090 -1.347 1083 HB3 LEU 545 HB3 LEU 545 -0.556 14.085 -1.528 1084 HG LEU 545 HG LEU 545 -2.950 14.825 0.148 1085 HD11 LEU 545 HD11 LEU 545 -1.535 14.313 2.091 1086 HD12 LEU 545 HD12 LEU 545 -0.305 13.663 1.006 1087 HD13 LEU 545 HD13 LEU 545 -1.883 12.883 1.123 1088 HD21 LEU 545 HD21 LEU 545 -1.355 16.470 1.110 1089 HD22 LEU 545 HD22 LEU 545 -1.778 16.770 -0.572 1090 HD23 LEU 545 HD23 LEU 545 -0.221 16.042 -0.169 1091 H LEU 546 H LEU 546 -2.697 12.869 -4.199 1092 HA LEU 546 HA LEU 546 -0.229 13.209 -5.730 1093 HB2 LEU 546 HB2 LEU 546 -0.886 10.963 -4.942 1094 HB3 LEU 546 HB3 LEU 546 -2.348 11.059 -5.898 1095 HG LEU 546 HG LEU 546 -0.862 11.305 -7.919 1096 HD11 LEU 546 HD11 LEU 546 1.253 10.292 -6.027 1097 HD12 LEU 546 HD12 LEU 546 1.194 11.916 -6.709 1098 HD13 LEU 546 HD13 LEU 546 1.420 10.524 -7.771 1099 HD21 LEU 546 HD21 LEU 546 -0.778 8.752 -6.317 1100 HD22 LEU 546 HD22 LEU 546 -0.362 8.867 -8.026 1101 HD23 LEU 546 HD23 LEU 546 -2.002 9.230 -7.490 1102 H SER 547 H SER 547 -3.599 13.775 -5.990 1103 HA SER 547 HA SER 547 -3.464 14.280 -8.871 1104 HB2 SER 547 HB2 SER 547 -5.918 14.598 -8.719 1105 HB3 SER 547 HB3 SER 547 -5.413 13.042 -8.063 1106 HG SER 547 HG SER 547 -6.171 15.373 -6.645 1107 H GLN 548 H GLN 548 -1.891 15.981 -7.287 1108 HA GLN 548 HA GLN 548 -3.315 18.521 -7.096 1109 HB2 GLN 548 HB2 GLN 548 -0.601 17.586 -6.211 1110 HB3 GLN 548 HB3 GLN 548 -0.945 19.303 -6.341 1111 HG2 GLN 548 HG2 GLN 548 -2.861 18.967 -4.796 1112 HG3 GLN 548 HG3 GLN 548 -2.319 17.306 -4.559 1113 HE21 GLN 548 HE21 GLN 548 -2.444 18.557 -2.326 1114 HE22 GLN 548 HE22 GLN 548 -0.914 19.125 -1.761 1115 H ILE 549 H ILE 549 -2.012 16.892 -9.568 1116 HA ILE 549 HA ILE 549 -0.842 19.263 -10.875 1117 HB ILE 549 HB ILE 549 -0.400 16.328 -11.545 1118 HG12 ILE 549 HG12 ILE 549 1.585 18.378 -10.510 1119 HG13 ILE 549 HG13 ILE 549 0.766 17.209 -9.484 1120 HG21 ILE 549 HG21 ILE 549 -0.385 17.700 -13.573 1121 HG22 ILE 549 HG22 ILE 549 1.244 17.139 -13.197 1122 HG23 ILE 549 HG23 ILE 549 0.781 18.801 -12.835 1123 HD11 ILE 549 HD11 ILE 549 2.664 16.566 -11.735 1124 HD12 ILE 549 HD12 ILE 549 1.841 15.386 -10.714 1125 HD13 ILE 549 HD13 ILE 549 3.023 16.489 -10.009 1126 H SER 550 H SER 550 -2.012 20.189 -12.401 1127 HA SER 550 HA SER 550 -4.134 18.644 -13.741 1128 HB2 SER 550 HB2 SER 550 -4.031 21.613 -13.135 1129 HB3 SER 550 HB3 SER 550 -5.301 20.824 -14.069 1130 HG SER 550 HG SER 550 -5.420 21.185 -11.579 1131 H SER 551 H SER 551 -4.201 18.569 -15.917 1132 HA SER 551 HA SER 551 -2.075 19.982 -17.379 1133 HB2 SER 551 HB2 SER 551 -2.252 18.173 -19.067 1134 HB3 SER 551 HB3 SER 551 -1.840 17.553 -17.470 1135 HG SER 551 HG SER 551 -3.680 16.517 -17.397 Start of MODEL 10 1 H2 PRO 1 H2 PRO 1 21.672 0.190 -2.407 2 H3 PRO 1 H1 PRO 1 21.419 -0.832 -3.656 3 HA PRO 1 HA PRO 1 20.049 1.495 -2.892 4 HB2 PRO 1 HB2 PRO 1 20.058 1.061 -5.850 5 HB3 PRO 1 HB3 PRO 1 19.803 2.559 -4.919 6 HG2 PRO 1 HG2 PRO 1 22.158 1.946 -6.037 7 HG3 PRO 1 HG3 PRO 1 22.038 2.867 -4.694 8 HD2 PRO 1 HD2 PRO 1 22.999 0.230 -4.896 9 HD3 PRO 1 HD3 PRO 1 23.248 1.294 -3.682 10 H SER 2 H SER 2 17.800 1.244 -3.427 11 HA SER 2 HA SER 2 15.828 0.195 -3.696 12 HB2 SER 2 HB2 SER 2 17.337 -1.474 -5.720 13 HB3 SER 2 HB3 SER 2 15.584 -1.414 -5.561 14 HG SER 2 HG SER 2 16.732 0.023 -7.167 15 H HIS 3 H HIS 3 14.566 -1.792 -3.523 16 HA HIS 3 HA HIS 3 13.892 -3.701 -2.572 17 HB2 HIS 3 HB2 HIS 3 16.786 -4.419 -2.273 18 HB3 HIS 3 HB3 HIS 3 15.462 -5.493 -1.906 19 HD1 HIS 3 HD1 HIS 3 14.638 -6.906 -3.775 20 HD2 HIS 3 HD2 HIS 3 16.902 -3.695 -5.126 21 HE1 HIS 3 HE1 HIS 3 14.890 -7.256 -6.253 22 HE2 HIS 3 HE2 HIS 3 16.316 -5.336 -7.036 23 H SER 4 H SER 4 16.610 -2.397 -0.685 24 HA SER 4 HA SER 4 14.880 -2.603 1.679 25 HB2 SER 4 HB2 SER 4 16.411 -4.468 1.812 26 HB3 SER 4 HB3 SER 4 17.788 -3.400 1.551 27 HG SER 4 HG SER 4 16.504 -4.002 3.847 28 H GLY 5 H GLY 5 14.990 -1.064 3.189 29 HA2 GLY 5 HA2 GLY 5 17.045 0.970 3.186 30 HA3 GLY 5 HA3 GLY 5 15.464 1.534 2.668 31 H ALA 6 H ALA 6 14.182 2.308 4.191 32 HA ALA 6 HA ALA 6 13.985 1.017 6.784 33 HB1 ALA 6 HB1 ALA 6 14.290 3.042 8.082 34 HB2 ALA 6 HB2 ALA 6 14.657 3.955 6.615 35 HB3 ALA 6 HB3 ALA 6 15.749 2.679 7.160 36 H ALA 7 H ALA 7 11.872 0.957 7.395 37 HA ALA 7 HA ALA 7 10.026 3.027 6.470 38 HB1 ALA 7 HB1 ALA 7 10.006 1.371 4.686 39 HB2 ALA 7 HB2 ALA 7 8.457 1.424 5.527 40 HB3 ALA 7 HB3 ALA 7 9.590 0.116 5.851 41 H ILE 8 H ILE 8 8.017 3.093 7.559 42 HA ILE 8 HA ILE 8 7.869 1.566 10.083 43 HB ILE 8 HB ILE 8 6.721 4.294 9.415 44 HG12 ILE 8 HG12 ILE 8 8.759 3.533 11.512 45 HG13 ILE 8 HG13 ILE 8 9.163 4.194 9.944 46 HG21 ILE 8 HG21 ILE 8 6.418 2.734 11.985 47 HG22 ILE 8 HG22 ILE 8 5.137 3.067 10.819 48 HG23 ILE 8 HG23 ILE 8 5.879 4.391 11.717 49 HD11 ILE 8 HD11 ILE 8 9.239 5.849 11.763 50 HD12 ILE 8 HD12 ILE 8 7.512 5.601 12.028 51 HD13 ILE 8 HD13 ILE 8 8.085 6.273 10.502 52 H PHE 9 H PHE 9 5.991 0.478 10.578 53 HA PHE 9 HA PHE 9 3.695 0.637 8.782 54 HB2 PHE 9 HB2 PHE 9 5.153 -1.137 7.846 55 HB3 PHE 9 HB3 PHE 9 5.116 -1.978 9.386 56 HD1 PHE 9 HD1 PHE 9 3.004 -0.879 6.540 57 HD2 PHE 9 HD2 PHE 9 3.380 -3.480 9.891 58 HE1 PHE 9 HE1 PHE 9 1.018 -2.117 5.797 59 HE2 PHE 9 HE2 PHE 9 1.392 -4.725 9.150 60 HZ PHE 9 HZ PHE 9 0.206 -4.043 7.101 61 H GLU 10 H GLU 10 1.933 0.778 9.967 62 HA GLU 10 HA GLU 10 0.453 0.751 11.680 63 HB2 GLU 10 HB2 GLU 10 1.878 -1.803 12.431 64 HB3 GLU 10 HB3 GLU 10 0.365 -1.263 13.141 65 HG2 GLU 10 HG2 GLU 10 -0.738 -1.414 11.008 66 HG3 GLU 10 HG3 GLU 10 0.778 -1.838 10.217 67 H LYS 11 H LYS 11 2.673 2.350 12.005 68 HA LYS 11 HA LYS 11 3.491 3.856 13.486 69 HB2 LYS 11 HB2 LYS 11 1.717 2.453 15.484 70 HB3 LYS 11 HB3 LYS 11 2.632 3.913 15.831 71 HG2 LYS 11 HG2 LYS 11 1.410 5.087 14.055 72 HG3 LYS 11 HG3 LYS 11 0.477 3.632 13.738 73 HD2 LYS 11 HD2 LYS 11 0.535 5.015 16.411 74 HD3 LYS 11 HD3 LYS 11 -0.658 5.380 15.166 75 HE2 LYS 11 HE2 LYS 11 -0.209 2.648 16.354 76 HE3 LYS 11 HE3 LYS 11 -1.450 3.769 16.903 77 HZ1 LYS 11 HZ1 LYS 11 -1.234 2.594 14.180 78 HZ2 LYS 11 HZ2 LYS 11 -2.414 3.703 14.670 79 HZ3 LYS 11 HZ3 LYS 11 -2.365 2.161 15.364 80 H VAL 12 H VAL 12 4.169 0.599 13.722 81 HA VAL 12 HA VAL 12 6.336 1.010 15.647 82 HB VAL 12 HB VAL 12 5.406 -1.561 14.331 83 HG11 VAL 12 HG11 VAL 12 6.815 -2.710 15.981 84 HG12 VAL 12 HG12 VAL 12 7.496 -1.151 16.443 85 HG13 VAL 12 HG13 VAL 12 7.728 -1.768 14.808 86 HG21 VAL 12 HG21 VAL 12 3.745 -0.806 15.914 87 HG22 VAL 12 HG22 VAL 12 4.982 -0.599 17.155 88 HG23 VAL 12 HG23 VAL 12 4.593 -2.214 16.562 89 H SER 13 H SER 13 8.330 1.465 14.995 90 HA SER 13 HA SER 13 8.800 1.783 12.163 91 HB2 SER 13 HB2 SER 13 9.464 3.596 13.646 92 HB3 SER 13 HB3 SER 13 10.521 2.502 14.542 93 HG SER 13 HG SER 13 11.481 3.900 12.826 94 H GLY 14 H GLY 14 10.325 0.838 10.923 95 HA2 GLY 14 HA2 GLY 14 12.085 -1.195 11.996 96 HA3 GLY 14 HA3 GLY 14 10.747 -1.815 11.048 97 H ILE 15 H ILE 15 12.263 -2.688 9.627 98 HA ILE 15 HA ILE 15 13.332 -0.746 7.688 99 HB ILE 15 HB ILE 15 14.629 -3.260 8.755 100 HG12 ILE 15 HG12 ILE 15 15.807 -0.480 8.512 101 HG13 ILE 15 HG13 ILE 15 15.022 -1.091 9.952 102 HG21 ILE 15 HG21 ILE 15 14.887 -3.433 6.378 103 HG22 ILE 15 HG22 ILE 15 16.438 -2.999 7.100 104 HG23 ILE 15 HG23 ILE 15 15.476 -1.771 6.277 105 HD11 ILE 15 HD11 ILE 15 17.588 -2.085 8.741 106 HD12 ILE 15 HD12 ILE 15 16.771 -2.842 10.108 107 HD13 ILE 15 HD13 ILE 15 17.386 -1.195 10.249 108 H ILE 16 H ILE 16 13.001 -1.236 5.533 109 HA ILE 16 HA ILE 16 11.151 -3.447 5.007 110 HB ILE 16 HB ILE 16 11.162 -0.706 4.245 111 HG12 ILE 16 HG12 ILE 16 9.349 -3.013 4.271 112 HG13 ILE 16 HG13 ILE 16 9.078 -1.360 4.792 113 HG21 ILE 16 HG21 ILE 16 12.397 -1.675 2.179 114 HG22 ILE 16 HG22 ILE 16 11.050 -0.558 1.945 115 HG23 ILE 16 HG23 ILE 16 10.798 -2.297 1.735 116 HD11 ILE 16 HD11 ILE 16 7.542 -1.835 3.042 117 HD12 ILE 16 HD12 ILE 16 8.822 -2.450 1.997 118 HD13 ILE 16 HD13 ILE 16 8.754 -0.735 2.394 119 H ALA 17 H ALA 17 11.587 -5.041 3.567 120 HA ALA 17 HA ALA 17 14.006 -4.871 1.907 121 HB1 ALA 17 HB1 ALA 17 13.339 -7.225 3.675 122 HB2 ALA 17 HB2 ALA 17 14.648 -6.073 3.936 123 HB3 ALA 17 HB3 ALA 17 14.678 -7.138 2.531 124 H ILE 18 H ILE 18 13.928 -6.025 -0.037 125 HA ILE 18 HA ILE 18 11.283 -7.125 -0.735 126 HB ILE 18 HB ILE 18 13.399 -5.838 -2.465 127 HG12 ILE 18 HG12 ILE 18 10.478 -5.272 -1.996 128 HG13 ILE 18 HG13 ILE 18 11.808 -4.351 -1.326 129 HG21 ILE 18 HG21 ILE 18 10.945 -7.259 -3.488 130 HG22 ILE 18 HG22 ILE 18 12.593 -7.879 -3.599 131 HG23 ILE 18 HG23 ILE 18 12.153 -6.397 -4.448 132 HD11 ILE 18 HD11 ILE 18 12.276 -4.198 -4.015 133 HD12 ILE 18 HD12 ILE 18 11.451 -2.977 -3.047 134 HD13 ILE 18 HD13 ILE 18 10.515 -4.181 -3.933 135 H ASN 19 H ASN 19 11.063 -9.176 -1.206 136 HA ASN 19 HA ASN 19 13.362 -10.967 -1.352 137 HB2 ASN 19 HB2 ASN 19 10.399 -11.541 -1.002 138 HB3 ASN 19 HB3 ASN 19 11.678 -12.742 -0.968 139 HD21 ASN 19 HD21 ASN 19 9.776 -12.198 1.121 140 HD22 ASN 19 HD22 ASN 19 10.679 -11.697 2.506 141 H GLU 20 H GLU 20 14.123 -11.158 -3.380 142 HA GLU 20 HA GLU 20 12.236 -11.993 -5.480 143 HB2 GLU 20 HB2 GLU 20 14.823 -10.469 -5.856 144 HB3 GLU 20 HB3 GLU 20 13.856 -11.115 -7.162 145 HG2 GLU 20 HG2 GLU 20 12.014 -9.584 -5.972 146 HG3 GLU 20 HG3 GLU 20 13.464 -8.716 -5.492 147 H ASP 21 H ASP 21 13.488 -13.353 -7.231 148 HA ASP 21 HA ASP 21 14.469 -15.339 -7.752 149 HB2 ASP 21 HB2 ASP 21 16.194 -14.740 -5.373 150 HB3 ASP 21 HB3 ASP 21 16.393 -16.173 -6.361 151 H VAL 22 H VAL 22 12.589 -14.800 -5.265 152 HA VAL 22 HA VAL 22 12.330 -17.558 -4.327 153 HB VAL 22 HB VAL 22 10.752 -16.632 -2.638 154 HG11 VAL 22 HG11 VAL 22 13.107 -16.881 -2.088 155 HG12 VAL 22 HG12 VAL 22 12.421 -15.474 -1.274 156 HG13 VAL 22 HG13 VAL 22 13.433 -15.259 -2.702 157 HG21 VAL 22 HG21 VAL 22 11.504 -13.909 -3.739 158 HG22 VAL 22 HG22 VAL 22 10.564 -14.204 -2.276 159 HG23 VAL 22 HG23 VAL 22 9.911 -14.660 -3.846 160 H SER 23 H SER 23 9.719 -17.901 -3.815 161 HA SER 23 HA SER 23 8.359 -17.963 -6.359 162 HB2 SER 23 HB2 SER 23 6.542 -18.987 -5.127 163 HB3 SER 23 HB3 SER 23 8.040 -19.635 -4.474 164 HG SER 23 HG SER 23 6.993 -17.355 -3.271 165 HA PRO 24 HA PRO 24 7.010 -14.498 -7.520 166 HB2 PRO 24 HB2 PRO 24 4.442 -14.012 -6.056 167 HB3 PRO 24 HB3 PRO 24 4.819 -13.776 -7.766 168 HG2 PRO 24 HG2 PRO 24 3.525 -15.903 -6.998 169 HG3 PRO 24 HG3 PRO 24 4.656 -16.027 -8.169 170 HD2 PRO 24 HD2 PRO 24 4.804 -16.947 -5.498 171 HD3 PRO 24 HD3 PRO 24 5.546 -17.558 -6.818 172 H ALA 25 H ALA 25 7.944 -12.643 -7.144 173 HA ALA 25 HA ALA 25 9.243 -12.177 -4.790 174 HB1 ALA 25 HB1 ALA 25 9.939 -10.032 -5.717 175 HB2 ALA 25 HB2 ALA 25 8.691 -10.165 -6.957 176 HB3 ALA 25 HB3 ALA 25 10.026 -11.318 -6.919 177 H GLU 26 H GLU 26 9.196 -10.810 -3.163 178 HA GLU 26 HA GLU 26 6.551 -9.757 -2.536 179 HB2 GLU 26 HB2 GLU 26 8.165 -10.923 -0.347 180 HB3 GLU 26 HB3 GLU 26 6.451 -10.894 -0.553 181 HG2 GLU 26 HG2 GLU 26 6.536 -12.730 -2.112 182 HG3 GLU 26 HG3 GLU 26 8.293 -12.715 -2.063 183 H LEU 27 H LEU 27 6.588 -8.366 -0.542 184 HA LEU 27 HA LEU 27 9.066 -6.813 -0.242 185 HB2 LEU 27 HB2 LEU 27 7.528 -5.562 -1.614 186 HB3 LEU 27 HB3 LEU 27 6.237 -5.804 -0.504 187 HG LEU 27 HG LEU 27 7.522 -4.337 1.104 188 HD11 LEU 27 HD11 LEU 27 9.174 -2.841 0.329 189 HD12 LEU 27 HD12 LEU 27 9.062 -3.487 -1.308 190 HD13 LEU 27 HD13 LEU 27 9.700 -4.488 -0.006 191 HD21 LEU 27 HD21 LEU 27 6.467 -3.167 -1.440 192 HD22 LEU 27 HD22 LEU 27 6.863 -2.217 -0.006 193 HD23 LEU 27 HD23 LEU 27 5.600 -3.440 0.068 194 H THR 28 H THR 28 9.795 -7.220 1.737 195 HA THR 28 HA THR 28 7.861 -8.003 3.810 196 HB THR 28 HB THR 28 10.755 -8.819 3.451 197 HG1 THR 28 HG1 THR 28 9.502 -10.950 3.493 198 HG21 THR 28 HG21 THR 28 10.378 -10.315 5.401 199 HG22 THR 28 HG22 THR 28 8.830 -9.516 5.683 200 HG23 THR 28 HG23 THR 28 10.340 -8.606 5.842 201 H TRP 29 H TRP 29 7.450 -6.347 5.114 202 HA TRP 29 HA TRP 29 9.568 -4.601 6.053 203 HB2 TRP 29 HB2 TRP 29 7.343 -3.610 5.724 204 HB3 TRP 29 HB3 TRP 29 6.644 -4.760 6.852 205 HD1 TRP 29 HD1 TRP 29 8.738 -1.563 6.755 206 HE1 TRP 29 HE1 TRP 29 8.867 -0.551 9.117 207 HE3 TRP 29 HE3 TRP 29 6.499 -5.340 9.397 208 HZ2 TRP 29 HZ2 TRP 29 8.126 -1.263 11.756 209 HZ3 TRP 29 HZ3 TRP 29 6.251 -5.080 11.831 210 HH2 TRP 29 HH2 TRP 29 7.046 -3.079 12.980 211 H ARG 30 H ARG 30 10.648 -4.808 7.900 212 HA ARG 30 HA ARG 30 9.617 -6.655 9.941 213 HB2 ARG 30 HB2 ARG 30 12.496 -6.258 9.129 214 HB3 ARG 30 HB3 ARG 30 11.980 -7.121 10.564 215 HG2 ARG 30 HG2 ARG 30 10.795 -8.737 9.162 216 HG3 ARG 30 HG3 ARG 30 11.373 -7.894 7.729 217 HD2 ARG 30 HD2 ARG 30 12.875 -9.614 7.970 218 HD3 ARG 30 HD3 ARG 30 13.710 -8.273 8.738 219 HE ARG 30 HE ARG 30 12.152 -10.107 10.408 220 HH11 ARG 30 HH11 ARG 30 15.313 -8.922 9.432 221 HH12 ARG 30 HH12 ARG 30 16.127 -9.650 10.777 222 HH21 ARG 30 HH21 ARG 30 13.239 -11.049 12.158 223 HH22 ARG 30 HH22 ARG 30 14.953 -10.853 12.318 224 H SER 31 H SER 31 9.950 -6.038 12.085 225 HA SER 31 HA SER 31 10.180 -3.259 12.655 226 HB2 SER 31 HB2 SER 31 9.959 -3.927 14.975 227 HB3 SER 31 HB3 SER 31 8.830 -4.851 14.002 228 HG SER 31 HG SER 31 10.159 -6.621 14.185 229 H THR 32 H THR 32 11.850 -2.348 14.146 230 HA THR 32 HA THR 32 14.331 -2.416 12.907 231 HB THR 32 HB THR 32 15.194 -1.198 14.973 232 HG1 THR 32 HG1 THR 32 13.818 -0.815 16.599 233 HG21 THR 32 HG21 THR 32 14.064 0.839 14.406 234 HG22 THR 32 HG22 THR 32 12.691 -0.041 13.744 235 HG23 THR 32 HG23 THR 32 14.251 -0.099 12.922 236 H ASP 33 H ASP 33 13.202 -4.503 15.434 237 HA ASP 33 HA ASP 33 15.884 -5.666 15.742 238 HB2 ASP 33 HB2 ASP 33 13.325 -6.284 17.242 239 HB3 ASP 33 HB3 ASP 33 14.906 -6.972 17.589 240 H GLY 34 H GLY 34 12.695 -6.268 14.454 241 HA2 GLY 34 HA2 GLY 34 12.252 -7.639 12.593 242 HA3 GLY 34 HA3 GLY 34 13.678 -8.593 12.944 243 H ASP 35 H ASP 35 11.698 -7.887 15.649 244 HA ASP 35 HA ASP 35 10.808 -10.603 15.948 245 HB2 ASP 35 HB2 ASP 35 9.751 -9.800 18.013 246 HB3 ASP 35 HB3 ASP 35 11.402 -9.206 17.895 247 H LYS 36 H LYS 36 9.463 -7.604 14.770 248 HA LYS 36 HA LYS 36 6.907 -8.926 14.149 249 HB2 LYS 36 HB2 LYS 36 7.666 -5.986 14.094 250 HB3 LYS 36 HB3 LYS 36 6.103 -6.632 13.636 251 HG2 LYS 36 HG2 LYS 36 5.764 -7.439 15.894 252 HG3 LYS 36 HG3 LYS 36 7.349 -6.813 16.363 253 HD2 LYS 36 HD2 LYS 36 6.564 -4.560 15.581 254 HD3 LYS 36 HD3 LYS 36 4.949 -5.263 15.436 255 HE2 LYS 36 HE2 LYS 36 5.041 -4.198 17.556 256 HE3 LYS 36 HE3 LYS 36 5.121 -5.936 17.838 257 HZ1 LYS 36 HZ1 LYS 36 7.513 -5.752 18.100 258 HZ2 LYS 36 HZ2 LYS 36 6.720 -4.739 19.198 259 HZ3 LYS 36 HZ3 LYS 36 7.444 -4.086 17.817 260 H VAL 37 H VAL 37 6.297 -9.229 12.021 261 HA VAL 37 HA VAL 37 7.899 -8.079 9.894 262 HB VAL 37 HB VAL 37 9.258 -9.981 10.408 263 HG11 VAL 37 HG11 VAL 37 7.694 -11.391 11.602 264 HG12 VAL 37 HG12 VAL 37 8.488 -12.303 10.319 265 HG13 VAL 37 HG13 VAL 37 6.831 -11.741 10.105 266 HG21 VAL 37 HG21 VAL 37 7.774 -10.883 7.968 267 HG22 VAL 37 HG22 VAL 37 9.511 -10.923 8.298 268 HG23 VAL 37 HG23 VAL 37 8.705 -9.387 7.983 269 H HIS 38 H HIS 38 6.779 -7.711 8.079 270 HA HIS 38 HA HIS 38 4.220 -9.100 7.616 271 HB2 HIS 38 HB2 HIS 38 4.792 -6.136 7.351 272 HB3 HIS 38 HB3 HIS 38 3.365 -6.908 6.675 273 HD1 HIS 38 HD1 HIS 38 1.811 -8.157 8.569 274 HD2 HIS 38 HD2 HIS 38 4.462 -5.243 9.895 275 HE1 HIS 38 HE1 HIS 38 0.996 -7.494 10.855 276 HE2 HIS 38 HE2 HIS 38 2.555 -5.658 11.592 277 H THR 39 H THR 39 3.692 -9.462 5.392 278 HA THR 39 HA THR 39 5.906 -8.986 3.508 279 HB THR 39 HB THR 39 4.464 -11.609 3.946 280 HG1 THR 39 HG1 THR 39 6.364 -10.869 5.280 281 HG21 THR 39 HG21 THR 39 6.508 -10.901 1.830 282 HG22 THR 39 HG22 THR 39 4.812 -11.298 1.544 283 HG23 THR 39 HG23 THR 39 5.912 -12.526 2.172 284 H VAL 40 H VAL 40 5.354 -8.141 1.631 285 HA VAL 40 HA VAL 40 2.557 -8.299 0.683 286 HB VAL 40 HB VAL 40 4.697 -6.227 0.137 287 HG11 VAL 40 HG11 VAL 40 1.827 -5.863 -0.620 288 HG12 VAL 40 HG12 VAL 40 2.972 -6.600 -1.738 289 HG13 VAL 40 HG13 VAL 40 3.238 -4.950 -1.161 290 HG21 VAL 40 HG21 VAL 40 2.229 -6.038 1.814 291 HG22 VAL 40 HG22 VAL 40 3.279 -4.686 1.391 292 HG23 VAL 40 HG23 VAL 40 3.904 -6.013 2.368 293 H VAL 41 H VAL 41 2.490 -9.996 -0.789 294 HA VAL 41 HA VAL 41 4.673 -10.526 -2.606 295 HB VAL 41 HB VAL 41 1.863 -11.724 -2.559 296 HG11 VAL 41 HG11 VAL 41 2.823 -13.539 -3.922 297 HG12 VAL 41 HG12 VAL 41 4.356 -12.674 -3.995 298 HG13 VAL 41 HG13 VAL 41 2.922 -11.985 -4.753 299 HG21 VAL 41 HG21 VAL 41 3.078 -12.219 -0.506 300 HG22 VAL 41 HG22 VAL 41 4.475 -12.769 -1.438 301 HG23 VAL 41 HG23 VAL 41 2.958 -13.673 -1.501 302 H LEU 42 H LEU 42 4.897 -9.541 -4.577 303 HA LEU 42 HA LEU 42 3.080 -7.413 -5.163 304 HB2 LEU 42 HB2 LEU 42 5.642 -8.272 -6.475 305 HB3 LEU 42 HB3 LEU 42 4.639 -7.042 -7.188 306 HG LEU 42 HG LEU 42 6.237 -5.799 -6.071 307 HD11 LEU 42 HD11 LEU 42 5.183 -4.711 -4.209 308 HD12 LEU 42 HD12 LEU 42 4.090 -6.064 -3.996 309 HD13 LEU 42 HD13 LEU 42 3.983 -5.070 -5.445 310 HD21 LEU 42 HD21 LEU 42 7.099 -6.233 -3.854 311 HD22 LEU 42 HD22 LEU 42 7.311 -7.647 -4.890 312 HD23 LEU 42 HD23 LEU 42 6.019 -7.615 -3.689 313 H SER 43 H SER 43 3.412 -10.621 -6.440 314 HA SER 43 HA SER 43 2.074 -10.175 -8.929 315 HB2 SER 43 HB2 SER 43 1.871 -12.584 -9.060 316 HB3 SER 43 HB3 SER 43 3.445 -12.198 -8.379 317 HG SER 43 HG SER 43 1.484 -12.501 -6.488 318 H THR 44 H THR 44 1.048 -9.793 -5.834 319 HA THR 44 HA THR 44 -1.792 -10.259 -6.476 320 HB THR 44 HB THR 44 -2.257 -10.519 -4.137 321 HG1 THR 44 HG1 THR 44 -0.062 -10.503 -2.811 322 HG21 THR 44 HG21 THR 44 -1.349 -12.529 -5.196 323 HG22 THR 44 HG22 THR 44 -0.893 -12.449 -3.493 324 HG23 THR 44 HG23 THR 44 0.282 -12.027 -4.742 325 H ILE 45 H ILE 45 0.389 -7.929 -6.588 326 HA ILE 45 HA ILE 45 -1.282 -5.778 -5.442 327 HB ILE 45 HB ILE 45 1.698 -5.813 -5.995 328 HG12 ILE 45 HG12 ILE 45 1.113 -7.164 -4.028 329 HG13 ILE 45 HG13 ILE 45 2.014 -5.733 -3.562 330 HG21 ILE 45 HG21 ILE 45 0.648 -3.570 -6.318 331 HG22 ILE 45 HG22 ILE 45 1.904 -3.634 -5.084 332 HG23 ILE 45 HG23 ILE 45 0.205 -3.596 -4.609 333 HD11 ILE 45 HD11 ILE 45 -0.009 -4.695 -2.720 334 HD12 ILE 45 HD12 ILE 45 0.190 -6.293 -2.003 335 HD13 ILE 45 HD13 ILE 45 -0.973 -6.053 -3.295 336 H ASP 46 H ASP 46 -1.922 -4.113 -6.741 337 HA ASP 46 HA ASP 46 -1.413 -4.432 -9.624 338 HB2 ASP 46 HB2 ASP 46 -3.759 -4.707 -8.901 339 HB3 ASP 46 HB3 ASP 46 -3.744 -3.093 -8.217 340 H LYS 47 H LYS 47 -1.636 -1.978 -7.042 341 HA LYS 47 HA LYS 47 -0.142 -0.128 -8.763 342 HB2 LYS 47 HB2 LYS 47 -2.597 0.520 -7.137 343 HB3 LYS 47 HB3 LYS 47 -1.556 1.741 -7.822 344 HG2 LYS 47 HG2 LYS 47 -2.062 0.812 -10.076 345 HG3 LYS 47 HG3 LYS 47 -3.186 -0.283 -9.288 346 HD2 LYS 47 HD2 LYS 47 -4.466 1.624 -8.432 347 HD3 LYS 47 HD3 LYS 47 -3.349 2.720 -9.239 348 HE2 LYS 47 HE2 LYS 47 -5.282 2.545 -10.601 349 HE3 LYS 47 HE3 LYS 47 -3.990 1.656 -11.409 350 HZ1 LYS 47 HZ1 LYS 47 -6.080 0.439 -11.466 351 HZ2 LYS 47 HZ2 LYS 47 -6.172 0.462 -9.777 352 HZ3 LYS 47 HZ3 LYS 47 -4.937 -0.403 -10.544 353 H LEU 48 H LEU 48 0.676 1.824 -7.511 354 HA LEU 48 HA LEU 48 1.264 1.415 -4.677 355 HB2 LEU 48 HB2 LEU 48 3.791 2.105 -5.721 356 HB3 LEU 48 HB3 LEU 48 3.351 0.604 -4.944 357 HG LEU 48 HG LEU 48 2.706 -0.287 -7.194 358 HD11 LEU 48 HD11 LEU 48 2.753 0.973 -9.025 359 HD12 LEU 48 HD12 LEU 48 4.392 1.521 -8.668 360 HD13 LEU 48 HD13 LEU 48 3.005 2.375 -7.988 361 HD21 LEU 48 HD21 LEU 48 4.843 -0.746 -6.047 362 HD22 LEU 48 HD22 LEU 48 5.551 0.616 -6.925 363 HD23 LEU 48 HD23 LEU 48 4.944 -0.785 -7.803 364 H GLN 49 H GLN 49 1.437 3.417 -3.656 365 HA GLN 49 HA GLN 49 1.826 5.802 -5.341 366 HB2 GLN 49 HB2 GLN 49 -0.454 5.448 -3.353 367 HB3 GLN 49 HB3 GLN 49 -0.032 6.960 -4.127 368 HG2 GLN 49 HG2 GLN 49 -0.554 6.057 -6.298 369 HG3 GLN 49 HG3 GLN 49 -0.910 4.478 -5.619 370 HE21 GLN 49 HE21 GLN 49 -2.747 5.744 -7.228 371 HE22 GLN 49 HE22 GLN 49 -4.091 6.281 -6.285 372 H ALA 50 H ALA 50 3.308 7.169 -4.509 373 HA ALA 50 HA ALA 50 3.974 6.935 -1.648 374 HB1 ALA 50 HB1 ALA 50 5.790 7.531 -3.965 375 HB2 ALA 50 HB2 ALA 50 5.729 6.035 -3.023 376 HB3 ALA 50 HB3 ALA 50 6.280 7.532 -2.269 377 H THR 51 H THR 51 4.362 8.749 -0.413 378 HA THR 51 HA THR 51 3.080 11.189 -1.012 379 HB THR 51 HB THR 51 4.240 12.108 1.000 380 HG1 THR 51 HG1 THR 51 6.067 11.129 1.461 381 HG21 THR 51 HG21 THR 51 2.880 9.412 1.232 382 HG22 THR 51 HG22 THR 51 2.137 11.009 1.363 383 HG23 THR 51 HG23 THR 51 3.245 10.441 2.613 384 HA PRO 52 HA PRO 52 6.286 13.201 -3.588 385 HB2 PRO 52 HB2 PRO 52 4.807 15.661 -2.870 386 HB3 PRO 52 HB3 PRO 52 5.249 15.042 -4.461 387 HG2 PRO 52 HG2 PRO 52 2.781 14.907 -3.596 388 HG3 PRO 52 HG3 PRO 52 3.403 13.712 -4.520 389 HD2 PRO 52 HD2 PRO 52 2.950 13.642 -1.646 390 HD3 PRO 52 HD3 PRO 52 2.790 12.400 -2.695 391 H ALA 53 H ALA 53 7.839 14.980 -3.360 392 HA ALA 53 HA ALA 53 9.028 15.074 -0.767 393 HB1 ALA 53 HB1 ALA 53 9.734 16.657 -3.235 394 HB2 ALA 53 HB2 ALA 53 10.336 15.045 -2.851 395 HB3 ALA 53 HB3 ALA 53 10.755 16.411 -1.819 396 H SER 54 H SER 54 6.649 16.993 -2.264 397 HA SER 54 HA SER 54 7.128 19.299 -0.535 398 HB2 SER 54 HB2 SER 54 5.336 20.383 -1.833 399 HB3 SER 54 HB3 SER 54 6.629 19.775 -2.855 400 HG SER 54 HG SER 54 5.148 18.707 -3.868 401 H SER 55 H SER 55 5.475 16.391 -0.464 402 HA SER 55 HA SER 55 3.109 17.190 0.916 403 HB2 SER 55 HB2 SER 55 3.005 15.236 -0.414 404 HB3 SER 55 HB3 SER 55 4.359 14.494 0.436 405 HG SER 55 HG SER 55 2.089 15.298 1.874 406 H GLU 56 H GLU 56 2.661 17.315 2.999 407 HA GLU 56 HA GLU 56 4.530 17.441 5.074 408 HB2 GLU 56 HB2 GLU 56 1.625 16.721 5.335 409 HB3 GLU 56 HB3 GLU 56 2.635 17.441 6.578 410 HG2 GLU 56 HG2 GLU 56 1.281 19.167 5.722 411 HG3 GLU 56 HG3 GLU 56 2.882 19.419 5.034 412 H LYS 57 H LYS 57 3.050 14.778 3.584 413 HA LYS 57 HA LYS 57 3.389 12.940 5.785 414 HB2 LYS 57 HB2 LYS 57 2.273 12.587 3.011 415 HB3 LYS 57 HB3 LYS 57 2.221 11.403 4.258 416 HG2 LYS 57 HG2 LYS 57 0.839 14.035 4.318 417 HG3 LYS 57 HG3 LYS 57 0.105 12.508 3.919 418 HD2 LYS 57 HD2 LYS 57 0.661 11.722 6.226 419 HD3 LYS 57 HD3 LYS 57 1.215 13.373 6.586 420 HE2 LYS 57 HE2 LYS 57 -0.943 14.248 6.037 421 HE3 LYS 57 HE3 LYS 57 -1.551 12.642 5.617 422 HZ1 LYS 57 HZ1 LYS 57 -1.159 11.980 7.937 423 HZ2 LYS 57 HZ2 LYS 57 -2.255 13.264 7.830 424 HZ3 LYS 57 HZ3 LYS 57 -0.659 13.555 8.306 425 H MET 58 H MET 58 4.896 11.382 5.901 426 HA MET 58 HA MET 58 6.482 10.791 3.485 427 HB2 MET 58 HB2 MET 58 7.255 10.461 6.393 428 HB3 MET 58 HB3 MET 58 8.227 9.926 5.045 429 HG2 MET 58 HG2 MET 58 7.495 12.771 5.717 430 HG3 MET 58 HG3 MET 58 9.070 12.014 5.930 431 HE1 MET 58 HE1 MET 58 9.742 10.465 3.326 432 HE2 MET 58 HE2 MET 58 10.799 11.640 4.109 433 HE3 MET 58 HE3 MET 58 10.497 11.745 2.376 434 H MET 59 H MET 59 5.274 9.185 2.610 435 HA MET 59 HA MET 59 4.994 6.683 4.019 436 HB2 MET 59 HB2 MET 59 2.622 8.282 3.113 437 HB3 MET 59 HB3 MET 59 2.531 6.593 3.542 438 HG2 MET 59 HG2 MET 59 3.423 7.293 5.828 439 HG3 MET 59 HG3 MET 59 3.148 8.942 5.303 440 HE1 MET 59 HE1 MET 59 0.368 9.917 4.830 441 HE2 MET 59 HE2 MET 59 -0.845 8.658 4.576 442 HE3 MET 59 HE3 MET 59 0.596 8.718 3.554 443 H LEU 60 H LEU 60 4.445 4.917 2.744 444 HA LEU 60 HA LEU 60 4.360 5.339 -0.164 445 HB2 LEU 60 HB2 LEU 60 6.614 4.652 0.398 446 HB3 LEU 60 HB3 LEU 60 6.014 3.322 1.357 447 HG LEU 60 HG LEU 60 5.136 2.279 -0.734 448 HD11 LEU 60 HD11 LEU 60 6.762 4.359 -2.158 449 HD12 LEU 60 HD12 LEU 60 5.004 4.411 -1.989 450 HD13 LEU 60 HD13 LEU 60 5.760 3.074 -2.856 451 HD21 LEU 60 HD21 LEU 60 7.285 1.597 -1.662 452 HD22 LEU 60 HD22 LEU 60 7.288 1.548 0.109 453 HD23 LEU 60 HD23 LEU 60 8.085 2.879 -0.738 454 H ARG 61 H ARG 61 2.559 4.473 -0.986 455 HA ARG 61 HA ARG 61 1.075 2.525 0.622 456 HB2 ARG 61 HB2 ARG 61 0.112 4.207 -1.685 457 HB3 ARG 61 HB3 ARG 61 -0.884 3.159 -0.705 458 HG2 ARG 61 HG2 ARG 61 -0.364 4.561 1.260 459 HG3 ARG 61 HG3 ARG 61 0.523 5.647 0.197 460 HD2 ARG 61 HD2 ARG 61 -1.563 6.661 0.360 461 HD3 ARG 61 HD3 ARG 61 -1.672 5.767 -1.154 462 HE ARG 61 HE ARG 61 -2.660 4.343 1.159 463 HH11 ARG 61 HH11 ARG 61 -3.521 6.468 -1.503 464 HH12 ARG 61 HH12 ARG 61 -5.210 6.101 -1.399 465 HH21 ARG 61 HH21 ARG 61 -4.876 3.878 1.273 466 HH22 ARG 61 HH22 ARG 61 -5.975 4.637 0.172 467 H LEU 62 H LEU 62 0.264 0.652 -0.189 468 HA LEU 62 HA LEU 62 1.178 -0.244 -2.839 469 HB2 LEU 62 HB2 LEU 62 1.454 -1.539 -0.158 470 HB3 LEU 62 HB3 LEU 62 1.223 -2.550 -1.561 471 HG LEU 62 HG LEU 62 3.549 -2.507 -1.027 472 HD11 LEU 62 HD11 LEU 62 3.040 -0.771 -3.420 473 HD12 LEU 62 HD12 LEU 62 2.974 -2.534 -3.372 474 HD13 LEU 62 HD13 LEU 62 4.506 -1.701 -3.100 475 HD21 LEU 62 HD21 LEU 62 3.587 -0.353 0.227 476 HD22 LEU 62 HD22 LEU 62 3.564 0.498 -1.316 477 HD23 LEU 62 HD23 LEU 62 4.924 -0.549 -0.910 478 H ILE 63 H ILE 63 -0.569 -0.527 -4.035 479 HA ILE 63 HA ILE 63 -3.190 -0.978 -2.831 480 HB ILE 63 HB ILE 63 -2.461 -0.454 -5.716 481 HG12 ILE 63 HG12 ILE 63 -2.631 1.401 -3.467 482 HG13 ILE 63 HG13 ILE 63 -1.891 1.625 -5.036 483 HG21 ILE 63 HG21 ILE 63 -5.121 -0.088 -4.363 484 HG22 ILE 63 HG22 ILE 63 -4.702 -1.388 -5.482 485 HG23 ILE 63 HG23 ILE 63 -4.742 0.285 -6.050 486 HD11 ILE 63 HD11 ILE 63 -4.134 2.076 -5.963 487 HD12 ILE 63 HD12 ILE 63 -3.579 3.241 -4.767 488 HD13 ILE 63 HD13 ILE 63 -4.765 2.010 -4.317 489 H GLY 64 H GLY 64 -4.351 -2.835 -3.005 490 HA2 GLY 64 HA2 GLY 64 -2.938 -5.201 -3.918 491 HA3 GLY 64 HA3 GLY 64 -4.416 -5.169 -2.977 492 H LYS 65 H LYS 65 -4.005 -6.920 -5.090 493 HA LYS 65 HA LYS 65 -5.374 -5.923 -7.427 494 HB2 LYS 65 HB2 LYS 65 -3.488 -7.523 -7.577 495 HB3 LYS 65 HB3 LYS 65 -4.503 -8.734 -6.798 496 HG2 LYS 65 HG2 LYS 65 -6.071 -8.638 -8.621 497 HG3 LYS 65 HG3 LYS 65 -5.133 -7.366 -9.398 498 HD2 LYS 65 HD2 LYS 65 -3.262 -8.873 -9.674 499 HD3 LYS 65 HD3 LYS 65 -4.131 -10.147 -8.826 500 HE2 LYS 65 HE2 LYS 65 -4.285 -10.528 -11.204 501 HE3 LYS 65 HE3 LYS 65 -5.871 -10.064 -10.598 502 HZ1 LYS 65 HZ1 LYS 65 -5.468 -7.821 -11.407 503 HZ2 LYS 65 HZ2 LYS 65 -5.355 -8.947 -12.663 504 HZ3 LYS 65 HZ3 LYS 65 -3.949 -8.282 -11.993 505 H VAL 66 H VAL 66 -7.436 -5.808 -7.597 506 HA VAL 66 HA VAL 66 -9.170 -7.724 -6.198 507 HB VAL 66 HB VAL 66 -9.358 -4.744 -6.397 508 HG11 VAL 66 HG11 VAL 66 -11.648 -4.616 -5.772 509 HG12 VAL 66 HG12 VAL 66 -11.792 -6.380 -5.738 510 HG13 VAL 66 HG13 VAL 66 -11.545 -5.544 -7.272 511 HG21 VAL 66 HG21 VAL 66 -10.113 -5.104 -4.005 512 HG22 VAL 66 HG22 VAL 66 -8.439 -5.516 -4.387 513 HG23 VAL 66 HG23 VAL 66 -9.651 -6.787 -4.229 514 H ASP 67 H ASP 67 -10.894 -8.533 -7.265 515 HA ASP 67 HA ASP 67 -11.021 -8.147 -10.154 516 HB2 ASP 67 HB2 ASP 67 -11.022 -10.461 -9.208 517 HB3 ASP 67 HB3 ASP 67 -12.547 -10.101 -8.414 518 H GLU 68 H GLU 68 -12.204 -6.447 -10.760 519 HA GLU 68 HA GLU 68 -14.376 -5.487 -9.095 520 HB2 GLU 68 HB2 GLU 68 -13.112 -4.383 -11.611 521 HB3 GLU 68 HB3 GLU 68 -14.454 -3.608 -10.778 522 HG2 GLU 68 HG2 GLU 68 -13.090 -3.335 -8.785 523 HG3 GLU 68 HG3 GLU 68 -11.743 -4.163 -9.567 524 H SER 69 H SER 69 -14.210 -7.789 -11.445 525 HA SER 69 HA SER 69 -16.671 -7.281 -12.836 526 HB2 SER 69 HB2 SER 69 -16.345 -9.404 -13.872 527 HB3 SER 69 HB3 SER 69 -14.740 -8.696 -13.695 528 HG SER 69 HG SER 69 -15.838 -10.477 -11.787 529 H LYS 70 H LYS 70 -16.019 -8.209 -9.707 530 HA LYS 70 HA LYS 70 -18.402 -9.853 -9.327 531 HB2 LYS 70 HB2 LYS 70 -16.151 -9.001 -7.508 532 HB3 LYS 70 HB3 LYS 70 -17.569 -9.817 -6.894 533 HG2 LYS 70 HG2 LYS 70 -17.101 -11.707 -8.396 534 HG3 LYS 70 HG3 LYS 70 -15.641 -10.896 -8.939 535 HD2 LYS 70 HD2 LYS 70 -14.780 -10.967 -6.618 536 HD3 LYS 70 HD3 LYS 70 -16.244 -11.796 -6.102 537 HE2 LYS 70 HE2 LYS 70 -15.663 -13.735 -7.404 538 HE3 LYS 70 HE3 LYS 70 -14.309 -12.891 -8.148 539 HZ1 LYS 70 HZ1 LYS 70 -14.533 -13.588 -5.269 540 HZ2 LYS 70 HZ2 LYS 70 -13.229 -12.789 -5.991 541 HZ3 LYS 70 HZ3 LYS 70 -13.572 -14.392 -6.407 542 H LYS 71 H LYS 71 -18.690 -7.171 -10.200 543 HA LYS 71 HA LYS 71 -19.275 -5.116 -8.537 544 HB2 LYS 71 HB2 LYS 71 -20.718 -6.053 -11.007 545 HB3 LYS 71 HB3 LYS 71 -21.140 -4.550 -10.191 546 HG2 LYS 71 HG2 LYS 71 -18.770 -3.819 -10.495 547 HG3 LYS 71 HG3 LYS 71 -18.524 -5.243 -11.494 548 HD2 LYS 71 HD2 LYS 71 -20.177 -4.505 -13.060 549 HD3 LYS 71 HD3 LYS 71 -20.636 -3.154 -12.016 550 HE2 LYS 71 HE2 LYS 71 -19.215 -2.345 -13.797 551 HE3 LYS 71 HE3 LYS 71 -18.372 -2.259 -12.253 552 HZ1 LYS 71 HZ1 LYS 71 -18.005 -4.445 -14.218 553 HZ2 LYS 71 HZ2 LYS 71 -17.114 -4.196 -12.803 554 HZ3 LYS 71 HZ3 LYS 71 -16.982 -3.104 -14.088 555 H ARG 72 H ARG 72 -20.644 -4.665 -6.932 556 HA ARG 72 HA ARG 72 -22.945 -6.450 -6.493 557 HB2 ARG 72 HB2 ARG 72 -21.275 -4.826 -4.562 558 HB3 ARG 72 HB3 ARG 72 -22.764 -5.631 -4.109 559 HG2 ARG 72 HG2 ARG 72 -21.767 -7.800 -4.699 560 HG3 ARG 72 HG3 ARG 72 -20.263 -6.977 -5.114 561 HD2 ARG 72 HD2 ARG 72 -20.118 -7.911 -2.879 562 HD3 ARG 72 HD3 ARG 72 -20.093 -6.151 -2.807 563 HE ARG 72 HE ARG 72 -22.441 -7.815 -2.158 564 HH11 ARG 72 HH11 ARG 72 -20.556 -4.888 -1.675 565 HH12 ARG 72 HH12 ARG 72 -21.591 -4.294 -0.419 566 HH21 ARG 72 HH21 ARG 72 -23.780 -7.015 -0.513 567 HH22 ARG 72 HH22 ARG 72 -23.414 -5.497 0.237 568 H LYS 73 H LYS 73 -24.961 -5.568 -6.088 569 HA LYS 73 HA LYS 73 -25.227 -2.638 -6.309 570 HB2 LYS 73 HB2 LYS 73 -27.007 -4.756 -7.549 571 HB3 LYS 73 HB3 LYS 73 -27.414 -3.051 -7.472 572 HG2 LYS 73 HG2 LYS 73 -25.451 -2.513 -8.807 573 HG3 LYS 73 HG3 LYS 73 -25.042 -4.220 -8.878 574 HD2 LYS 73 HD2 LYS 73 -27.172 -4.662 -10.014 575 HD3 LYS 73 HD3 LYS 73 -27.523 -2.934 -9.995 576 HE2 LYS 73 HE2 LYS 73 -25.566 -2.487 -11.349 577 HE3 LYS 73 HE3 LYS 73 -25.117 -4.193 -11.309 578 HZ1 LYS 73 HZ1 LYS 73 -26.207 -3.635 -13.382 579 HZ2 LYS 73 HZ2 LYS 73 -27.574 -3.078 -12.553 580 HZ3 LYS 73 HZ3 LYS 73 -27.161 -4.718 -12.497 581 H ASP 74 H ASP 74 -26.664 -1.691 -4.907 582 HA ASP 74 HA ASP 74 -27.265 -3.218 -2.545 583 HB2 ASP 74 HB2 ASP 74 -27.800 -1.090 -1.505 584 HB3 ASP 74 HB3 ASP 74 -26.304 -0.945 -2.410 585 H ASN 75 H ASN 75 -29.566 -2.068 -1.488 586 HA ASN 75 HA ASN 75 -31.506 -3.849 -2.389 587 HB2 ASN 75 HB2 ASN 75 -31.730 -1.358 -0.711 588 HB3 ASN 75 HB3 ASN 75 -33.105 -2.410 -1.021 589 HD21 ASN 75 HD21 ASN 75 -32.049 -1.824 1.515 590 HD22 ASN 75 HD22 ASN 75 -31.437 -3.286 2.200 591 H GLU 76 H GLU 76 -30.947 -0.543 -3.441 592 HA GLU 76 HA GLU 76 -33.524 -0.393 -4.792 593 HB2 GLU 76 HB2 GLU 76 -31.277 1.610 -4.521 594 HB3 GLU 76 HB3 GLU 76 -32.760 1.918 -5.410 595 HG2 GLU 76 HG2 GLU 76 -34.063 1.654 -3.375 596 HG3 GLU 76 HG3 GLU 76 -32.600 1.267 -2.473 597 H GLY 77 H GLY 77 -30.399 -1.441 -5.529 598 HA2 GLY 77 HA2 GLY 77 -29.828 -2.519 -7.556 599 HA3 GLY 77 HA3 GLY 77 -31.040 -1.565 -8.387 600 H ASN 78 H ASN 78 -28.955 0.103 -6.225 601 HA ASN 78 HA ASN 78 -27.670 1.499 -8.430 602 HB2 ASN 78 HB2 ASN 78 -27.558 1.957 -5.435 603 HB3 ASN 78 HB3 ASN 78 -26.765 2.975 -6.630 604 HD21 ASN 78 HD21 ASN 78 -29.305 2.860 -4.666 605 HD22 ASN 78 HD22 ASN 78 -30.444 3.816 -5.546 606 H GLU 79 H GLU 79 -25.416 1.690 -8.675 607 HA GLU 79 HA GLU 79 -24.037 -0.789 -8.321 608 HB2 GLU 79 HB2 GLU 79 -23.870 0.942 -10.252 609 HB3 GLU 79 HB3 GLU 79 -22.742 1.788 -9.205 610 HG2 GLU 79 HG2 GLU 79 -21.316 -0.204 -9.171 611 HG3 GLU 79 HG3 GLU 79 -22.453 -1.013 -10.242 612 H VAL 80 H VAL 80 -23.001 -1.424 -6.587 613 HA VAL 80 HA VAL 80 -21.329 0.518 -5.157 614 HB VAL 80 HB VAL 80 -22.808 -1.747 -3.787 615 HG11 VAL 80 HG11 VAL 80 -21.912 -0.778 -1.713 616 HG12 VAL 80 HG12 VAL 80 -20.991 0.381 -2.675 617 HG13 VAL 80 HG13 VAL 80 -20.638 -1.343 -2.795 618 HG21 VAL 80 HG21 VAL 80 -24.105 -0.074 -2.612 619 HG22 VAL 80 HG22 VAL 80 -24.313 0.127 -4.356 620 HG23 VAL 80 HG23 VAL 80 -23.254 1.216 -3.461 621 H VAL 81 H VAL 81 -19.402 0.033 -5.930 622 HA VAL 81 HA VAL 81 -18.811 -2.755 -6.509 623 HB VAL 81 HB VAL 81 -17.425 -0.300 -7.565 624 HG11 VAL 81 HG11 VAL 81 -16.420 -1.824 -9.248 625 HG12 VAL 81 HG12 VAL 81 -17.047 -3.188 -8.321 626 HG13 VAL 81 HG13 VAL 81 -15.860 -2.100 -7.598 627 HG21 VAL 81 HG21 VAL 81 -18.523 -0.769 -9.705 628 HG22 VAL 81 HG22 VAL 81 -19.689 -0.430 -8.425 629 HG23 VAL 81 HG23 VAL 81 -19.413 -2.092 -8.950 630 HA PRO 82 HA PRO 82 -16.052 -2.874 -2.950 631 HB2 PRO 82 HB2 PRO 82 -14.849 -5.249 -3.455 632 HB3 PRO 82 HB3 PRO 82 -16.496 -5.140 -2.828 633 HG2 PRO 82 HG2 PRO 82 -15.642 -5.507 -5.614 634 HG3 PRO 82 HG3 PRO 82 -16.776 -6.347 -4.791 635 HD2 PRO 82 HD2 PRO 82 -17.529 -4.443 -6.353 636 HD3 PRO 82 HD3 PRO 82 -18.298 -4.642 -4.926 637 H LYS 83 H LYS 83 -14.233 -1.851 -2.701 638 HA LYS 83 HA LYS 83 -12.476 -1.497 -5.001 639 HB2 LYS 83 HB2 LYS 83 -12.705 0.136 -2.476 640 HB3 LYS 83 HB3 LYS 83 -11.598 0.498 -3.785 641 HG2 LYS 83 HG2 LYS 83 -14.592 0.460 -3.999 642 HG3 LYS 83 HG3 LYS 83 -13.607 1.895 -3.813 643 HD2 LYS 83 HD2 LYS 83 -12.532 1.482 -5.959 644 HD3 LYS 83 HD3 LYS 83 -13.441 -0.014 -6.141 645 HE2 LYS 83 HE2 LYS 83 -15.536 1.356 -6.075 646 HE3 LYS 83 HE3 LYS 83 -14.526 2.803 -6.151 647 HZ1 LYS 83 HZ1 LYS 83 -15.331 2.180 -8.340 648 HZ2 LYS 83 HZ2 LYS 83 -14.635 0.644 -8.197 649 HZ3 LYS 83 HZ3 LYS 83 -13.648 2.015 -8.273 650 HA PRO 84 HA PRO 84 -8.984 -3.678 -3.272 651 HB2 PRO 84 HB2 PRO 84 -6.854 -2.246 -4.095 652 HB3 PRO 84 HB3 PRO 84 -7.782 -3.273 -5.185 653 HG2 PRO 84 HG2 PRO 84 -7.917 -0.366 -4.858 654 HG3 PRO 84 HG3 PRO 84 -7.904 -1.234 -6.242 655 HD2 PRO 84 HD2 PRO 84 -10.328 -0.440 -5.210 656 HD3 PRO 84 HD3 PRO 84 -10.241 -1.874 -5.988 657 H GLN 85 H GLN 85 -7.506 -3.726 -1.649 658 HA GLN 85 HA GLN 85 -7.620 -1.534 0.272 659 HB2 GLN 85 HB2 GLN 85 -6.519 -4.341 0.521 660 HB3 GLN 85 HB3 GLN 85 -6.515 -3.154 1.818 661 HG2 GLN 85 HG2 GLN 85 -8.944 -3.106 1.811 662 HG3 GLN 85 HG3 GLN 85 -8.978 -4.234 0.463 663 HE21 GLN 85 HE21 GLN 85 -8.632 -3.846 3.852 664 HE22 GLN 85 HE22 GLN 85 -8.553 -5.521 4.268 665 H ARG 86 H ARG 86 -5.843 -0.462 1.073 666 HA ARG 86 HA ARG 86 -3.442 -0.621 -0.650 667 HB2 ARG 86 HB2 ARG 86 -4.827 1.751 0.610 668 HB3 ARG 86 HB3 ARG 86 -3.176 1.844 0.018 669 HG2 ARG 86 HG2 ARG 86 -4.472 2.657 -1.744 670 HG3 ARG 86 HG3 ARG 86 -4.100 1.001 -2.206 671 HD2 ARG 86 HD2 ARG 86 -6.246 0.304 -1.988 672 HD3 ARG 86 HD3 ARG 86 -6.593 1.423 -0.671 673 HE ARG 86 HE ARG 86 -6.300 2.437 -3.413 674 HH11 ARG 86 HH11 ARG 86 -8.338 1.959 -0.588 675 HH12 ARG 86 HH12 ARG 86 -9.602 2.979 -1.189 676 HH21 ARG 86 HH21 ARG 86 -7.968 3.764 -4.173 677 HH22 ARG 86 HH22 ARG 86 -9.392 3.997 -3.216 678 H HIS 87 H HIS 87 -1.566 -1.065 0.319 679 HA HIS 87 HA HIS 87 -1.403 -1.120 3.246 680 HB2 HIS 87 HB2 HIS 87 0.481 -2.262 1.162 681 HB3 HIS 87 HB3 HIS 87 0.626 -2.489 2.897 682 HD1 HIS 87 HD1 HIS 87 -1.432 -3.890 3.999 683 HD2 HIS 87 HD2 HIS 87 -0.964 -4.162 -0.123 684 HE1 HIS 87 HE1 HIS 87 -2.667 -5.973 3.317 685 HE2 HIS 87 HE2 HIS 87 -2.317 -6.151 0.828 686 H MET 88 H MET 88 -0.606 0.670 4.201 687 HA MET 88 HA MET 88 1.233 2.379 2.664 688 HB2 MET 88 HB2 MET 88 0.022 3.341 5.222 689 HB3 MET 88 HB3 MET 88 0.389 4.214 3.754 690 HG2 MET 88 HG2 MET 88 -1.534 2.933 2.682 691 HG3 MET 88 HG3 MET 88 -1.966 2.495 4.315 692 HE1 MET 88 HE1 MET 88 -1.541 4.700 6.137 693 HE2 MET 88 HE2 MET 88 -2.128 6.307 5.738 694 HE3 MET 88 HE3 MET 88 -0.558 5.765 5.132 695 H PHE 89 H PHE 89 3.187 2.883 3.322 696 HA PHE 89 HA PHE 89 4.137 1.989 5.969 697 HB2 PHE 89 HB2 PHE 89 5.669 2.222 3.358 698 HB3 PHE 89 HB3 PHE 89 6.414 1.895 4.912 699 HD1 PHE 89 HD1 PHE 89 4.521 0.506 2.136 700 HD2 PHE 89 HD2 PHE 89 6.073 -0.267 6.018 701 HE1 PHE 89 HE1 PHE 89 4.203 -1.910 1.784 702 HE2 PHE 89 HE2 PHE 89 5.750 -2.675 5.689 703 HZ PHE 89 HZ PHE 89 4.799 -3.489 3.513 704 H SER 90 H SER 90 5.924 3.450 6.841 705 HA SER 90 HA SER 90 5.657 6.187 5.799 706 HB2 SER 90 HB2 SER 90 5.784 5.296 8.651 707 HB3 SER 90 HB3 SER 90 6.115 6.954 8.173 708 HG SER 90 HG SER 90 4.045 7.165 7.480 709 H PHE 91 H PHE 91 7.428 7.457 5.670 710 HA PHE 91 HA PHE 91 10.015 6.043 5.823 711 HB2 PHE 91 HB2 PHE 91 8.756 7.576 3.564 712 HB3 PHE 91 HB3 PHE 91 10.503 7.433 3.671 713 HD1 PHE 91 HD1 PHE 91 7.558 5.139 4.027 714 HD2 PHE 91 HD2 PHE 91 11.402 5.813 2.330 715 HE1 PHE 91 HE1 PHE 91 7.442 2.958 2.891 716 HE2 PHE 91 HE2 PHE 91 11.284 3.635 1.192 717 HZ PHE 91 HZ PHE 91 9.298 2.209 1.473 718 H ASN 92 H ASN 92 11.875 7.684 5.353 719 HA ASN 92 HA ASN 92 11.378 10.211 6.787 720 HB2 ASN 92 HB2 ASN 92 13.851 8.461 6.904 721 HB3 ASN 92 HB3 ASN 92 13.699 10.038 7.668 722 HD21 ASN 92 HD21 ASN 92 13.292 6.728 8.035 723 HD22 ASN 92 HD22 ASN 92 12.412 6.740 9.521 724 H ASN 93 H ASN 93 12.574 8.693 3.949 725 HA ASN 93 HA ASN 93 13.495 11.263 2.879 726 HB2 ASN 93 HB2 ASN 93 15.480 9.909 3.682 727 HB3 ASN 93 HB3 ASN 93 15.074 8.715 2.455 728 HD21 ASN 93 HD21 ASN 93 17.525 9.955 2.512 729 HD22 ASN 93 HD22 ASN 93 17.676 10.999 1.144 730 H ARG 94 H ARG 94 13.161 11.549 0.694 731 HA ARG 94 HA ARG 94 11.179 9.863 -0.535 732 HB2 ARG 94 HB2 ARG 94 11.026 11.514 -2.256 733 HB3 ARG 94 HB3 ARG 94 11.135 12.337 -0.706 734 HG2 ARG 94 HG2 ARG 94 13.514 12.783 -1.122 735 HG3 ARG 94 HG3 ARG 94 13.386 11.974 -2.682 736 HD2 ARG 94 HD2 ARG 94 11.667 13.654 -3.332 737 HD3 ARG 94 HD3 ARG 94 11.971 14.493 -1.818 738 HE ARG 94 HE ARG 94 13.989 15.258 -2.643 739 HH11 ARG 94 HH11 ARG 94 12.597 12.997 -4.945 740 HH12 ARG 94 HH12 ARG 94 13.705 13.427 -6.206 741 HH21 ARG 94 HH21 ARG 94 15.422 15.804 -4.309 742 HH22 ARG 94 HH22 ARG 94 15.300 15.014 -5.845 743 H THR 95 H THR 95 14.591 10.047 -0.664 744 HA THR 95 HA THR 95 14.934 9.020 -3.319 745 HB THR 95 HB THR 95 17.316 8.706 -2.658 746 HG1 THR 95 HG1 THR 95 16.550 9.806 -0.145 747 HG21 THR 95 HG21 THR 95 17.860 11.071 -2.254 748 HG22 THR 95 HG22 THR 95 16.176 11.389 -1.835 749 HG23 THR 95 HG23 THR 95 16.601 10.911 -3.479 750 H VAL 96 H VAL 96 14.494 7.601 -0.137 751 HA VAL 96 HA VAL 96 15.282 4.941 -0.910 752 HB VAL 96 HB VAL 96 13.579 5.765 1.468 753 HG11 VAL 96 HG11 VAL 96 14.015 3.605 2.404 754 HG12 VAL 96 HG12 VAL 96 15.135 3.207 1.103 755 HG13 VAL 96 HG13 VAL 96 13.414 3.350 0.764 756 HG21 VAL 96 HG21 VAL 96 15.576 5.639 2.813 757 HG22 VAL 96 HG22 VAL 96 15.853 6.763 1.480 758 HG23 VAL 96 HG23 VAL 96 16.529 5.138 1.415 759 H MET 97 H MET 97 12.057 6.359 -0.136 760 HA MET 97 HA MET 97 10.425 4.273 -0.906 761 HB2 MET 97 HB2 MET 97 8.626 5.878 -1.224 762 HB3 MET 97 HB3 MET 97 9.586 6.316 0.177 763 HG2 MET 97 HG2 MET 97 10.692 8.028 -1.068 764 HG3 MET 97 HG3 MET 97 9.803 7.604 -2.524 765 HE1 MET 97 HE1 MET 97 8.065 9.722 1.196 766 HE2 MET 97 HE2 MET 97 9.745 9.236 0.969 767 HE3 MET 97 HE3 MET 97 8.512 8.019 1.290 768 H ASP 98 H ASP 98 11.782 6.767 -3.060 769 HA ASP 98 HA ASP 98 10.525 5.747 -5.423 770 HB2 ASP 98 HB2 ASP 98 12.876 7.600 -4.947 771 HB3 ASP 98 HB3 ASP 98 12.373 7.138 -6.565 772 H ASN 99 H ASN 99 13.343 4.769 -3.663 773 HA ASN 99 HA ASN 99 14.412 3.176 -5.843 774 HB2 ASN 99 HB2 ASN 99 15.349 4.036 -3.212 775 HB3 ASN 99 HB3 ASN 99 15.721 2.354 -3.541 776 HD21 ASN 99 HD21 ASN 99 16.909 5.357 -3.724 777 HD22 ASN 99 HD22 ASN 99 18.028 5.175 -5.026 778 H ILE 100 H ILE 100 12.393 2.696 -2.984 779 HA ILE 100 HA ILE 100 12.277 -0.176 -3.297 780 HB ILE 100 HB ILE 100 10.463 1.667 -1.699 781 HG12 ILE 100 HG12 ILE 100 12.725 1.668 -0.769 782 HG13 ILE 100 HG13 ILE 100 11.625 0.862 0.309 783 HG21 ILE 100 HG21 ILE 100 10.656 -1.309 -1.312 784 HG22 ILE 100 HG22 ILE 100 9.466 -0.566 -2.373 785 HG23 ILE 100 HG23 ILE 100 9.462 -0.185 -0.650 786 HD11 ILE 100 HD11 ILE 100 13.760 -0.261 0.262 787 HD12 ILE 100 HD12 ILE 100 13.649 -0.460 -1.488 788 HD13 ILE 100 HD13 ILE 100 12.516 -1.304 -0.432 789 H LYS 101 H LYS 101 9.953 2.501 -3.841 790 HA LYS 101 HA LYS 101 7.893 1.229 -5.132 791 HB2 LYS 101 HB2 LYS 101 7.847 3.565 -4.432 792 HB3 LYS 101 HB3 LYS 101 9.001 3.973 -5.693 793 HG2 LYS 101 HG2 LYS 101 7.319 3.214 -7.378 794 HG3 LYS 101 HG3 LYS 101 6.178 3.012 -6.051 795 HD2 LYS 101 HD2 LYS 101 6.394 5.404 -5.513 796 HD3 LYS 101 HD3 LYS 101 7.528 5.584 -6.847 797 HE2 LYS 101 HE2 LYS 101 5.803 4.998 -8.440 798 HE3 LYS 101 HE3 LYS 101 4.652 4.723 -7.131 799 HZ1 LYS 101 HZ1 LYS 101 4.861 7.069 -6.534 800 HZ2 LYS 101 HZ2 LYS 101 4.322 6.888 -8.125 801 HZ3 LYS 101 HZ3 LYS 101 5.930 7.315 -7.824 802 H MET 102 H MET 102 10.867 2.475 -6.630 803 HA MET 102 HA MET 102 10.310 1.871 -9.296 804 HB2 MET 102 HB2 MET 102 12.183 3.220 -8.620 805 HB3 MET 102 HB3 MET 102 12.936 1.846 -7.864 806 HG2 MET 102 HG2 MET 102 13.156 0.761 -10.062 807 HG3 MET 102 HG3 MET 102 12.395 2.158 -10.803 808 HE1 MET 102 HE1 MET 102 16.579 2.247 -8.822 809 HE2 MET 102 HE2 MET 102 15.707 0.747 -9.111 810 HE3 MET 102 HE3 MET 102 15.092 1.909 -7.939 811 H THR 103 H THR 103 12.217 -0.192 -7.039 812 HA THR 103 HA THR 103 12.399 -2.458 -8.617 813 HB THR 103 HB THR 103 12.023 -2.476 -5.605 814 HG1 THR 103 HG1 THR 103 14.356 -2.183 -7.215 815 HG21 THR 103 HG21 THR 103 13.464 -4.538 -5.759 816 HG22 THR 103 HG22 THR 103 13.246 -4.487 -7.507 817 HG23 THR 103 HG23 THR 103 11.854 -4.725 -6.450 818 H LEU 104 H LEU 104 9.929 -1.948 -6.078 819 HA LEU 104 HA LEU 104 8.129 -3.932 -6.484 820 HB2 LEU 104 HB2 LEU 104 7.558 -0.988 -6.041 821 HB3 LEU 104 HB3 LEU 104 6.369 -2.243 -5.824 822 HG LEU 104 HG LEU 104 8.896 -1.962 -4.202 823 HD11 LEU 104 HD11 LEU 104 6.169 -0.874 -3.885 824 HD12 LEU 104 HD12 LEU 104 7.711 -0.266 -3.282 825 HD13 LEU 104 HD13 LEU 104 6.900 -1.583 -2.449 826 HD21 LEU 104 HD21 LEU 104 6.521 -3.611 -3.460 827 HD22 LEU 104 HD22 LEU 104 8.178 -3.713 -2.866 828 HD23 LEU 104 HD23 LEU 104 7.792 -4.279 -4.489 829 H GLN 105 H GLN 105 7.912 -0.768 -8.100 830 HA GLN 105 HA GLN 105 5.926 -1.353 -9.952 831 HB2 GLN 105 HB2 GLN 105 6.827 0.918 -9.460 832 HB3 GLN 105 HB3 GLN 105 8.258 0.534 -10.393 833 HG2 GLN 105 HG2 GLN 105 6.985 0.396 -12.415 834 HG3 GLN 105 HG3 GLN 105 5.471 0.523 -11.522 835 HE21 GLN 105 HE21 GLN 105 5.545 2.248 -13.408 836 HE22 GLN 105 HE22 GLN 105 5.979 3.837 -12.883 837 H GLN 106 H GLN 106 9.375 -2.090 -10.170 838 HA GLN 106 HA GLN 106 9.297 -2.905 -12.921 839 HB2 GLN 106 HB2 GLN 106 11.357 -3.244 -10.759 840 HB3 GLN 106 HB3 GLN 106 11.572 -3.841 -12.397 841 HG2 GLN 106 HG2 GLN 106 11.237 -0.952 -11.570 842 HG3 GLN 106 HG3 GLN 106 12.688 -1.736 -12.111 843 HE21 GLN 106 HE21 GLN 106 10.686 0.455 -13.088 844 HE22 GLN 106 HE22 GLN 106 10.593 0.132 -14.783 845 H ILE 107 H ILE 107 8.607 -4.369 -9.882 846 HA ILE 107 HA ILE 107 8.766 -7.101 -10.816 847 HB ILE 107 HB ILE 107 7.808 -5.919 -8.190 848 HG12 ILE 107 HG12 ILE 107 10.306 -7.535 -8.775 849 HG13 ILE 107 HG13 ILE 107 10.268 -5.797 -8.763 850 HG21 ILE 107 HG21 ILE 107 8.162 -8.843 -8.855 851 HG22 ILE 107 HG22 ILE 107 6.621 -8.010 -8.654 852 HG23 ILE 107 HG23 ILE 107 7.720 -8.163 -7.286 853 HD11 ILE 107 HD11 ILE 107 9.816 -5.729 -6.421 854 HD12 ILE 107 HD12 ILE 107 11.206 -6.782 -6.702 855 HD13 ILE 107 HD13 ILE 107 9.623 -7.479 -6.368 856 H ILE 108 H ILE 108 6.159 -4.762 -10.075 857 HA ILE 108 HA ILE 108 4.028 -6.638 -10.461 858 HB ILE 108 HB ILE 108 3.907 -3.604 -10.446 859 HG12 ILE 108 HG12 ILE 108 3.130 -5.537 -8.283 860 HG13 ILE 108 HG13 ILE 108 4.732 -4.859 -8.387 861 HG21 ILE 108 HG21 ILE 108 1.940 -4.652 -11.565 862 HG22 ILE 108 HG22 ILE 108 1.512 -3.836 -10.057 863 HG23 ILE 108 HG23 ILE 108 1.655 -5.599 -10.101 864 HD11 ILE 108 HD11 ILE 108 3.304 -3.708 -6.771 865 HD12 ILE 108 HD12 ILE 108 2.225 -3.247 -8.086 866 HD13 ILE 108 HD13 ILE 108 3.884 -2.654 -8.055 867 H SER 109 H SER 109 5.627 -4.294 -12.516 868 HA SER 109 HA SER 109 3.968 -4.473 -14.792 869 HB2 SER 109 HB2 SER 109 5.834 -3.526 -16.034 870 HB3 SER 109 HB3 SER 109 5.697 -2.733 -14.465 871 HG SER 109 HG SER 109 7.819 -3.895 -15.475 872 H ARG 110 H ARG 110 6.274 -6.706 -13.498 873 HA ARG 110 HA ARG 110 6.525 -8.364 -15.835 874 HB2 ARG 110 HB2 ARG 110 7.098 -8.861 -12.922 875 HB3 ARG 110 HB3 ARG 110 7.351 -10.075 -14.169 876 HG2 ARG 110 HG2 ARG 110 8.960 -8.654 -15.266 877 HG3 ARG 110 HG3 ARG 110 8.667 -7.367 -14.101 878 HD2 ARG 110 HD2 ARG 110 9.463 -8.828 -12.299 879 HD3 ARG 110 HD3 ARG 110 9.758 -10.096 -13.487 880 HE ARG 110 HE ARG 110 11.231 -8.038 -14.428 881 HH11 ARG 110 HH11 ARG 110 11.112 -9.582 -11.273 882 HH12 ARG 110 HH12 ARG 110 12.771 -9.241 -10.919 883 HH21 ARG 110 HH21 ARG 110 13.400 -7.609 -13.941 884 HH22 ARG 110 HH22 ARG 110 14.065 -8.127 -12.427 885 H TYR 111 H TYR 111 4.582 -8.471 -12.877 886 HA TYR 111 HA TYR 111 2.997 -10.736 -13.742 887 HB2 TYR 111 HB2 TYR 111 2.594 -8.868 -11.398 888 HB3 TYR 111 HB3 TYR 111 1.721 -10.367 -11.681 889 HD1 TYR 111 HD1 TYR 111 4.653 -8.892 -10.251 890 HD2 TYR 111 HD2 TYR 111 3.052 -12.550 -11.733 891 HE1 TYR 111 HE1 TYR 111 6.396 -10.140 -9.050 892 HE2 TYR 111 HE2 TYR 111 4.794 -13.803 -10.539 893 HH TYR 111 HH TYR 111 7.047 -13.411 -9.646 894 H LYS 112 H LYS 112 3.062 -7.593 -14.633 895 HA LYS 112 HA LYS 112 0.212 -7.130 -14.952 896 HB2 LYS 112 HB2 LYS 112 1.569 -5.252 -14.355 897 HB3 LYS 112 HB3 LYS 112 2.694 -5.566 -15.668 898 HG2 LYS 112 HG2 LYS 112 1.330 -3.678 -16.235 899 HG3 LYS 112 HG3 LYS 112 0.890 -5.020 -17.269 900 HD2 LYS 112 HD2 LYS 112 -1.023 -5.478 -15.672 901 HD3 LYS 112 HD3 LYS 112 -0.635 -3.942 -14.901 902 HE2 LYS 112 HE2 LYS 112 -2.434 -3.551 -16.427 903 HE3 LYS 112 HE3 LYS 112 -0.983 -2.830 -17.121 904 HZ1 LYS 112 HZ1 LYS 112 -2.236 -5.398 -17.900 905 HZ2 LYS 112 HZ2 LYS 112 -0.742 -4.864 -18.477 906 HZ3 LYS 112 HZ3 LYS 112 -2.144 -3.986 -18.825 907 H ASP 113 H ASP 113 2.969 -8.229 -16.754 908 HA ASP 113 HA ASP 113 1.534 -8.321 -19.283 909 HB2 ASP 113 HB2 ASP 113 4.378 -8.905 -18.467 910 HB3 ASP 113 HB3 ASP 113 3.769 -9.221 -20.077 911 H ALA 114 H ALA 114 2.234 -10.302 -16.587 912 HA ALA 114 HA ALA 114 2.168 -12.837 -17.937 913 HB1 ALA 114 HB1 ALA 114 3.464 -12.438 -15.860 914 HB2 ALA 114 HB2 ALA 114 2.385 -13.830 -15.771 915 HB3 ALA 114 HB3 ALA 114 1.937 -12.316 -14.987 916 H ASP 115 H ASP 115 -0.205 -10.676 -17.050 917 HA ASP 115 HA ASP 115 -2.257 -12.779 -16.869 918 HB2 ASP 115 HB2 ASP 115 -2.053 -11.441 -14.809 919 HB3 ASP 115 HB3 ASP 115 -2.372 -9.976 -15.725 920 H1 GLY 519 H1 GLY 519 -31.231 -6.792 18.454 921 H2 GLY 519 H2 GLY 519 -30.299 -8.199 18.568 922 H3 GLY 519 H3 GLY 519 -31.987 -8.301 18.572 923 HA2 GLY 519 HA2 GLY 519 -31.121 -8.955 16.423 924 HA3 GLY 519 HA3 GLY 519 -32.087 -7.492 16.305 925 H SER 520 H SER 520 -28.997 -8.916 15.878 926 HA SER 520 HA SER 520 -27.820 -6.324 15.135 927 HB2 SER 520 HB2 SER 520 -26.473 -7.403 16.801 928 HB3 SER 520 HB3 SER 520 -26.522 -8.937 15.935 929 HG SER 520 HG SER 520 -24.547 -7.798 15.623 930 HA PRO 521 HA PRO 521 -28.229 -7.714 10.876 931 HB2 PRO 521 HB2 PRO 521 -26.858 -5.683 9.676 932 HB3 PRO 521 HB3 PRO 521 -28.499 -5.513 10.296 933 HG2 PRO 521 HG2 PRO 521 -25.984 -4.690 11.514 934 HG3 PRO 521 HG3 PRO 521 -27.419 -3.910 11.505 935 HD2 PRO 521 HD2 PRO 521 -26.541 -5.194 13.543 936 HD3 PRO 521 HD3 PRO 521 -28.132 -4.963 13.259 937 H GLY 522 H GLY 522 -25.172 -7.289 12.461 938 HA2 GLY 522 HA2 GLY 522 -23.815 -9.435 11.663 939 HA3 GLY 522 HA3 GLY 522 -23.626 -8.402 10.254 940 H TYR 523 H TYR 523 -21.430 -9.291 11.632 941 HA TYR 523 HA TYR 523 -20.500 -6.884 13.048 942 HB2 TYR 523 HB2 TYR 523 -19.621 -9.758 13.439 943 HB3 TYR 523 HB3 TYR 523 -18.843 -8.378 14.196 944 HD1 TYR 523 HD1 TYR 523 -21.766 -10.577 14.221 945 HD2 TYR 523 HD2 TYR 523 -19.946 -7.185 16.041 946 HE1 TYR 523 HE1 TYR 523 -23.320 -10.764 16.116 947 HE2 TYR 523 HE2 TYR 523 -21.497 -7.367 17.940 948 HH TYR 523 HH TYR 523 -23.720 -8.311 18.417 949 HA PRO 524 HA PRO 524 -17.662 -6.491 9.580 950 HB2 PRO 524 HB2 PRO 524 -16.107 -4.477 10.517 951 HB3 PRO 524 HB3 PRO 524 -17.746 -4.218 9.904 952 HG2 PRO 524 HG2 PRO 524 -16.851 -4.430 12.695 953 HG3 PRO 524 HG3 PRO 524 -17.930 -3.384 12.056 954 HD2 PRO 524 HD2 PRO 524 -18.701 -5.507 13.363 955 HD3 PRO 524 HD3 PRO 524 -19.609 -4.871 12.163 956 H ASN 525 H ASN 525 -15.634 -7.168 8.979 957 HA ASN 525 HA ASN 525 -14.080 -8.565 11.035 958 HB2 ASN 525 HB2 ASN 525 -14.050 -8.798 8.016 959 HB3 ASN 525 HB3 ASN 525 -12.982 -9.697 9.083 960 HD21 ASN 525 HD21 ASN 525 -15.943 -9.714 7.479 961 HD22 ASN 525 HD22 ASN 525 -16.656 -11.070 8.276 962 H GLY 526 H GLY 526 -11.978 -8.140 11.481 963 HA2 GLY 526 HA2 GLY 526 -9.840 -7.195 10.516 964 HA3 GLY 526 HA3 GLY 526 -10.800 -5.765 10.176 965 H LEU 527 H LEU 527 -10.370 -4.180 11.536 966 HA LEU 527 HA LEU 527 -10.100 -4.769 14.398 967 HB2 LEU 527 HB2 LEU 527 -8.412 -2.811 12.849 968 HB3 LEU 527 HB3 LEU 527 -8.398 -3.015 14.578 969 HG LEU 527 HG LEU 527 -7.591 -5.215 12.677 970 HD11 LEU 527 HD11 LEU 527 -5.223 -4.610 13.477 971 HD12 LEU 527 HD12 LEU 527 -5.911 -3.016 13.838 972 HD13 LEU 527 HD13 LEU 527 -5.954 -3.650 12.193 973 HD21 LEU 527 HD21 LEU 527 -6.614 -6.275 14.563 974 HD22 LEU 527 HD22 LEU 527 -8.273 -5.841 14.977 975 HD23 LEU 527 HD23 LEU 527 -6.930 -4.876 15.586 976 H LEU 528 H LEU 528 -11.202 -3.462 15.731 977 HA LEU 528 HA LEU 528 -12.903 -1.430 14.618 978 HB2 LEU 528 HB2 LEU 528 -13.759 -2.930 16.359 979 HB3 LEU 528 HB3 LEU 528 -12.530 -2.365 17.468 980 HG LEU 528 HG LEU 528 -13.587 -0.134 17.509 981 HD11 LEU 528 HD11 LEU 528 -14.537 -0.119 15.278 982 HD12 LEU 528 HD12 LEU 528 -15.794 0.171 16.479 983 HD13 LEU 528 HD13 LEU 528 -15.650 -1.414 15.720 984 HD21 LEU 528 HD21 LEU 528 -15.604 -0.726 18.743 985 HD22 LEU 528 HD22 LEU 528 -14.280 -1.809 19.171 986 HD23 LEU 528 HD23 LEU 528 -15.549 -2.360 18.077 987 H SER 529 H SER 529 -11.744 0.259 13.928 988 HA SER 529 HA SER 529 -10.507 2.147 13.879 989 HB2 SER 529 HB2 SER 529 -10.683 2.061 16.903 990 HB3 SER 529 HB3 SER 529 -10.099 3.431 15.962 991 HG SER 529 HG SER 529 -12.125 3.992 15.957 992 H GLY 530 H GLY 530 -9.057 0.285 13.132 993 HA2 GLY 530 HA2 GLY 530 -6.621 0.150 14.798 994 HA3 GLY 530 HA3 GLY 530 -7.158 -1.141 13.729 995 H ASP 531 H ASP 531 -6.743 -1.015 11.533 996 HA ASP 531 HA ASP 531 -5.131 1.262 10.609 997 HB2 ASP 531 HB2 ASP 531 -4.480 -1.670 10.301 998 HB3 ASP 531 HB3 ASP 531 -3.734 -0.421 9.310 999 H GLU 532 H GLU 532 -7.773 -0.662 10.121 1000 HA GLU 532 HA GLU 532 -7.796 -0.379 7.219 1001 HB2 GLU 532 HB2 GLU 532 -9.513 -2.041 9.042 1002 HB3 GLU 532 HB3 GLU 532 -9.603 -2.028 7.304 1003 HG2 GLU 532 HG2 GLU 532 -7.248 -2.902 8.936 1004 HG3 GLU 532 HG3 GLU 532 -8.401 -3.976 8.155 1005 H ASP 533 H ASP 533 -8.714 1.371 9.705 1006 HA ASP 533 HA ASP 533 -11.286 2.238 8.556 1007 HB2 ASP 533 HB2 ASP 533 -10.305 2.270 11.416 1008 HB3 ASP 533 HB3 ASP 533 -11.722 3.168 10.890 1009 H PHE 534 H PHE 534 -8.079 3.229 9.433 1010 HA PHE 534 HA PHE 534 -8.763 6.067 9.173 1011 HB2 PHE 534 HB2 PHE 534 -6.259 4.724 10.205 1012 HB3 PHE 534 HB3 PHE 534 -6.432 6.463 10.026 1013 HD1 PHE 534 HD1 PHE 534 -6.943 3.656 12.160 1014 HD2 PHE 534 HD2 PHE 534 -8.311 7.605 11.341 1015 HE1 PHE 534 HE1 PHE 534 -7.906 3.789 14.419 1016 HE2 PHE 534 HE2 PHE 534 -9.276 7.743 13.598 1017 HZ PHE 534 HZ PHE 534 -9.075 5.834 15.142 1018 H SER 535 H SER 535 -7.455 3.548 7.343 1019 HA SER 535 HA SER 535 -5.803 5.221 5.659 1020 HB2 SER 535 HB2 SER 535 -5.348 3.181 4.393 1021 HB3 SER 535 HB3 SER 535 -5.092 2.913 6.112 1022 HG SER 535 HG SER 535 -6.927 1.787 4.399 1023 H SER 536 H SER 536 -9.066 4.698 5.900 1024 HA SER 536 HA SER 536 -9.691 4.878 3.070 1025 HB2 SER 536 HB2 SER 536 -12.039 4.889 3.800 1026 HB3 SER 536 HB3 SER 536 -11.154 3.563 4.550 1027 HG SER 536 HG SER 536 -12.522 4.783 6.001 1028 H ILE 537 H ILE 537 -9.662 6.953 5.914 1029 HA ILE 537 HA ILE 537 -10.465 9.283 4.382 1030 HB ILE 537 HB ILE 537 -10.287 10.533 6.481 1031 HG12 ILE 537 HG12 ILE 537 -9.450 7.983 7.877 1032 HG13 ILE 537 HG13 ILE 537 -8.293 9.182 7.323 1033 HG21 ILE 537 HG21 ILE 537 -11.991 9.393 7.848 1034 HG22 ILE 537 HG22 ILE 537 -11.768 7.931 6.887 1035 HG23 ILE 537 HG23 ILE 537 -12.400 9.395 6.131 1036 HD11 ILE 537 HD11 ILE 537 -9.566 10.845 8.784 1037 HD12 ILE 537 HD12 ILE 537 -8.601 9.617 9.607 1038 HD13 ILE 537 HD13 ILE 537 -10.351 9.434 9.495 1039 H ALA 538 H ALA 538 -7.553 7.727 5.445 1040 HA ALA 538 HA ALA 538 -5.901 9.973 4.693 1041 HB1 ALA 538 HB1 ALA 538 -5.343 8.364 6.562 1042 HB2 ALA 538 HB2 ALA 538 -4.045 8.717 5.426 1043 HB3 ALA 538 HB3 ALA 538 -4.931 7.200 5.304 1044 H ASP 539 H ASP 539 -7.680 7.982 2.994 1045 HA ASP 539 HA ASP 539 -5.901 7.564 0.720 1046 HB2 ASP 539 HB2 ASP 539 -7.558 5.818 1.223 1047 HB3 ASP 539 HB3 ASP 539 -8.859 6.994 1.111 1048 H MET 540 H MET 540 -8.435 9.658 1.867 1049 HA MET 540 HA MET 540 -8.679 11.267 -0.493 1050 HB2 MET 540 HB2 MET 540 -9.473 11.684 2.395 1051 HB3 MET 540 HB3 MET 540 -9.785 12.871 1.136 1052 HG2 MET 540 HG2 MET 540 -11.221 11.338 -0.030 1053 HG3 MET 540 HG3 MET 540 -10.785 10.031 1.067 1054 HE1 MET 540 HE1 MET 540 -13.688 13.502 1.954 1055 HE2 MET 540 HE2 MET 540 -13.054 13.057 0.370 1056 HE3 MET 540 HE3 MET 540 -12.007 13.844 1.550 1057 H ASP 541 H ASP 541 -6.514 11.106 2.177 1058 HA ASP 541 HA ASP 541 -5.406 13.710 2.016 1059 HB2 ASP 541 HB2 ASP 541 -4.516 11.143 3.291 1060 HB3 ASP 541 HB3 ASP 541 -3.556 12.596 3.372 1061 H PHE 542 H PHE 542 -4.755 10.662 0.393 1062 HA PHE 542 HA PHE 542 -2.035 11.341 -0.266 1063 HB2 PHE 542 HB2 PHE 542 -3.435 8.986 -0.003 1064 HB3 PHE 542 HB3 PHE 542 -3.177 9.093 -1.739 1065 HD1 PHE 542 HD1 PHE 542 -1.332 9.383 1.484 1066 HD2 PHE 542 HD2 PHE 542 -1.222 8.342 -2.640 1067 HE1 PHE 542 HE1 PHE 542 0.967 8.560 1.751 1068 HE2 PHE 542 HE2 PHE 542 1.078 7.531 -2.369 1069 HZ PHE 542 HZ PHE 542 2.159 7.623 -0.182 1070 H SER 543 H SER 543 -5.102 11.297 -2.017 1071 HA SER 543 HA SER 543 -3.905 11.699 -4.611 1072 HB2 SER 543 HB2 SER 543 -6.198 11.884 -5.411 1073 HB3 SER 543 HB3 SER 543 -6.087 10.549 -4.271 1074 HG SER 543 HG SER 543 -7.593 11.507 -3.189 1075 H ALA 544 H ALA 544 -5.021 13.766 -2.040 1076 HA ALA 544 HA ALA 544 -5.100 16.185 -3.610 1077 HB1 ALA 544 HB1 ALA 544 -6.498 15.934 -1.615 1078 HB2 ALA 544 HB2 ALA 544 -5.413 17.317 -1.469 1079 HB3 ALA 544 HB3 ALA 544 -5.050 15.818 -0.614 1080 H LEU 545 H LEU 545 -2.733 14.413 -1.781 1081 HA LEU 545 HA LEU 545 -0.737 16.504 -1.807 1082 HB2 LEU 545 HB2 LEU 545 -0.628 13.591 -1.052 1083 HB3 LEU 545 HB3 LEU 545 0.705 14.697 -0.890 1084 HG LEU 545 HG LEU 545 -1.892 15.125 0.546 1085 HD11 LEU 545 HD11 LEU 545 -1.024 12.960 1.221 1086 HD12 LEU 545 HD12 LEU 545 -0.797 14.141 2.508 1087 HD13 LEU 545 HD13 LEU 545 0.567 13.670 1.496 1088 HD21 LEU 545 HD21 LEU 545 -0.513 17.100 0.427 1089 HD22 LEU 545 HD22 LEU 545 0.902 16.182 0.937 1090 HD23 LEU 545 HD23 LEU 545 -0.428 16.448 2.064 1091 H LEU 546 H LEU 546 -1.463 13.510 -3.495 1092 HA LEU 546 HA LEU 546 0.955 13.314 -4.963 1093 HB2 LEU 546 HB2 LEU 546 -1.557 11.876 -4.684 1094 HB3 LEU 546 HB3 LEU 546 -1.001 11.886 -6.335 1095 HG LEU 546 HG LEU 546 0.443 10.797 -3.953 1096 HD11 LEU 546 HD11 LEU 546 -1.284 9.312 -4.775 1097 HD12 LEU 546 HD12 LEU 546 0.293 8.661 -5.218 1098 HD13 LEU 546 HD13 LEU 546 -0.693 9.483 -6.426 1099 HD21 LEU 546 HD21 LEU 546 1.389 11.082 -6.789 1100 HD22 LEU 546 HD22 LEU 546 2.194 10.119 -5.551 1101 HD23 LEU 546 HD23 LEU 546 2.060 11.867 -5.359 1102 H SER 547 H SER 547 -2.109 14.864 -5.540 1103 HA SER 547 HA SER 547 -1.043 15.986 -8.043 1104 HB2 SER 547 HB2 SER 547 -3.933 15.393 -7.333 1105 HB3 SER 547 HB3 SER 547 -3.420 16.262 -8.778 1106 HG SER 547 HG SER 547 -3.357 14.320 -9.596 1107 H GLN 548 H GLN 548 -0.023 17.543 -6.593 1108 HA GLN 548 HA GLN 548 -1.816 19.521 -5.398 1109 HB2 GLN 548 HB2 GLN 548 1.125 18.960 -5.117 1110 HB3 GLN 548 HB3 GLN 548 0.475 20.523 -4.647 1111 HG2 GLN 548 HG2 GLN 548 -0.931 19.523 -3.001 1112 HG3 GLN 548 HG3 GLN 548 -0.519 17.898 -3.551 1113 HE21 GLN 548 HE21 GLN 548 2.289 19.299 -3.909 1114 HE22 GLN 548 HE22 GLN 548 2.985 19.103 -2.340 1115 H ILE 549 H ILE 549 -2.488 19.989 -7.652 1116 HA ILE 549 HA ILE 549 -0.652 21.818 -9.034 1117 HB ILE 549 HB ILE 549 -2.034 21.578 -11.040 1118 HG12 ILE 549 HG12 ILE 549 -3.601 19.414 -9.609 1119 HG13 ILE 549 HG13 ILE 549 -4.212 21.045 -9.843 1120 HG21 ILE 549 HG21 ILE 549 -1.470 19.235 -11.554 1121 HG22 ILE 549 HG22 ILE 549 -1.128 18.969 -9.845 1122 HG23 ILE 549 HG23 ILE 549 -0.153 20.110 -10.772 1123 HD11 ILE 549 HD11 ILE 549 -3.492 19.094 -12.022 1124 HD12 ILE 549 HD12 ILE 549 -4.100 20.732 -12.265 1125 HD13 ILE 549 HD13 ILE 549 -5.120 19.518 -11.492 1126 H SER 550 H SER 550 -3.483 21.793 -7.141 1127 HA SER 550 HA SER 550 -4.177 24.527 -7.990 1128 HB2 SER 550 HB2 SER 550 -5.857 22.451 -6.560 1129 HB3 SER 550 HB3 SER 550 -6.373 24.110 -6.855 1130 HG SER 550 HG SER 550 -6.624 23.683 -8.937 1131 H SER 551 H SER 551 -4.153 26.185 -6.561 1132 HA SER 551 HA SER 551 -3.177 25.596 -3.847 1133 HB2 SER 551 HB2 SER 551 -1.516 26.851 -5.045 1134 HB3 SER 551 HB3 SER 551 -2.715 28.011 -5.613 1135 HG SER 551 HG SER 551 -2.077 29.087 -3.915 Start of MODEL 11 1 H2 PRO 1 H2 PRO 1 18.844 2.907 -6.790 2 H3 PRO 1 H1 PRO 1 19.892 2.376 -5.657 3 HA PRO 1 HA PRO 1 17.808 1.093 -6.735 4 HB2 PRO 1 HB2 PRO 1 20.220 -0.586 -7.328 5 HB3 PRO 1 HB3 PRO 1 18.589 -0.666 -8.032 6 HG2 PRO 1 HG2 PRO 1 20.347 0.506 -9.439 7 HG3 PRO 1 HG3 PRO 1 18.979 1.361 -9.184 8 HD2 PRO 1 HD2 PRO 1 21.460 1.614 -7.217 9 HD3 PRO 1 HD3 PRO 1 20.893 2.915 -8.024 10 H SER 2 H SER 2 17.088 0.523 -4.792 11 HA SER 2 HA SER 2 18.754 -1.164 -3.095 12 HB2 SER 2 HB2 SER 2 18.865 1.273 -2.318 13 HB3 SER 2 HB3 SER 2 17.161 1.111 -1.897 14 HG SER 2 HG SER 2 19.352 0.238 -0.566 15 H HIS 3 H HIS 3 17.703 -2.923 -2.580 16 HA HIS 3 HA HIS 3 14.821 -3.161 -2.849 17 HB2 HIS 3 HB2 HIS 3 16.942 -5.138 -2.019 18 HB3 HIS 3 HB3 HIS 3 15.266 -5.540 -2.195 19 HD1 HIS 3 HD1 HIS 3 16.942 -7.198 -3.885 20 HD2 HIS 3 HD2 HIS 3 15.771 -3.406 -5.122 21 HE1 HIS 3 HE1 HIS 3 17.161 -7.212 -6.389 22 HE2 HIS 3 HE2 HIS 3 16.383 -4.931 -7.121 23 H SER 4 H SER 4 16.850 -2.060 -0.480 24 HA SER 4 HA SER 4 14.874 -2.483 1.615 25 HB2 SER 4 HB2 SER 4 16.427 -3.370 3.226 26 HB3 SER 4 HB3 SER 4 16.491 -4.397 1.794 27 HG SER 4 HG SER 4 18.293 -2.255 2.101 28 H GLY 5 H GLY 5 14.915 -0.996 3.259 29 HA2 GLY 5 HA2 GLY 5 16.970 1.048 3.353 30 HA3 GLY 5 HA3 GLY 5 15.392 1.598 2.821 31 H ALA 6 H ALA 6 14.173 2.433 4.354 32 HA ALA 6 HA ALA 6 13.928 1.095 6.929 33 HB1 ALA 6 HB1 ALA 6 14.642 4.022 6.747 34 HB2 ALA 6 HB2 ALA 6 15.682 2.728 7.349 35 HB3 ALA 6 HB3 ALA 6 14.207 3.146 8.219 36 H ALA 7 H ALA 7 11.816 1.004 7.493 37 HA ALA 7 HA ALA 7 9.952 3.046 6.521 38 HB1 ALA 7 HB1 ALA 7 9.918 1.384 4.779 39 HB2 ALA 7 HB2 ALA 7 8.400 1.327 5.677 40 HB3 ALA 7 HB3 ALA 7 9.637 0.109 5.962 41 H ILE 8 H ILE 8 7.965 3.160 7.648 42 HA ILE 8 HA ILE 8 7.879 1.700 10.211 43 HB ILE 8 HB ILE 8 6.582 4.359 9.528 44 HG12 ILE 8 HG12 ILE 8 8.849 3.859 11.460 45 HG13 ILE 8 HG13 ILE 8 9.105 4.364 9.806 46 HG21 ILE 8 HG21 ILE 8 6.668 2.905 12.177 47 HG22 ILE 8 HG22 ILE 8 5.249 3.103 11.151 48 HG23 ILE 8 HG23 ILE 8 5.995 4.512 11.903 49 HD11 ILE 8 HD11 ILE 8 8.005 6.457 10.231 50 HD12 ILE 8 HD12 ILE 8 9.245 6.195 11.456 51 HD13 ILE 8 HD13 ILE 8 7.546 5.926 11.849 52 H PHE 9 H PHE 9 6.054 0.602 10.803 53 HA PHE 9 HA PHE 9 3.656 0.682 9.145 54 HB2 PHE 9 HB2 PHE 9 5.059 -1.055 8.089 55 HB3 PHE 9 HB3 PHE 9 5.207 -1.883 9.630 56 HD1 PHE 9 HD1 PHE 9 3.282 -1.496 6.638 57 HD2 PHE 9 HD2 PHE 9 3.093 -2.850 10.672 58 HE1 PHE 9 HE1 PHE 9 1.271 -2.803 6.102 59 HE2 PHE 9 HE2 PHE 9 1.086 -4.164 10.139 60 HZ PHE 9 HZ PHE 9 0.184 -4.167 7.856 61 H GLU 10 H GLU 10 1.912 0.627 10.385 62 HA GLU 10 HA GLU 10 0.539 0.578 12.186 63 HB2 GLU 10 HB2 GLU 10 0.453 -1.408 13.522 64 HB3 GLU 10 HB3 GLU 10 0.851 -1.877 11.875 65 HG2 GLU 10 HG2 GLU 10 3.054 -2.371 12.417 66 HG3 GLU 10 HG3 GLU 10 2.994 -1.453 13.920 67 H LYS 11 H LYS 11 2.702 2.296 12.351 68 HA LYS 11 HA LYS 11 3.628 3.819 13.742 69 HB2 LYS 11 HB2 LYS 11 1.890 2.487 15.782 70 HB3 LYS 11 HB3 LYS 11 2.972 3.810 16.191 71 HG2 LYS 11 HG2 LYS 11 1.599 5.335 15.321 72 HG3 LYS 11 HG3 LYS 11 1.354 4.391 13.850 73 HD2 LYS 11 HD2 LYS 11 0.052 3.433 16.346 74 HD3 LYS 11 HD3 LYS 11 -0.587 4.873 15.558 75 HE2 LYS 11 HE2 LYS 11 -1.300 3.733 13.706 76 HE3 LYS 11 HE3 LYS 11 -0.056 2.495 13.866 77 HZ1 LYS 11 HZ1 LYS 11 -2.257 1.614 14.338 78 HZ2 LYS 11 HZ2 LYS 11 -2.475 2.744 15.578 79 HZ3 LYS 11 HZ3 LYS 11 -1.286 1.550 15.721 80 H VAL 12 H VAL 12 4.343 0.598 13.920 81 HA VAL 12 HA VAL 12 6.615 0.935 15.730 82 HB VAL 12 HB VAL 12 5.799 -1.512 14.109 83 HG11 VAL 12 HG11 VAL 12 8.173 -1.592 14.650 84 HG12 VAL 12 HG12 VAL 12 7.287 -2.775 15.615 85 HG13 VAL 12 HG13 VAL 12 7.817 -1.260 16.347 86 HG21 VAL 12 HG21 VAL 12 4.126 -0.984 15.787 87 HG22 VAL 12 HG22 VAL 12 5.379 -0.902 17.026 88 HG23 VAL 12 HG23 VAL 12 5.019 -2.437 16.237 89 H SER 13 H SER 13 8.492 1.689 14.994 90 HA SER 13 HA SER 13 8.915 2.010 12.166 91 HB2 SER 13 HB2 SER 13 9.589 3.839 13.606 92 HB3 SER 13 HB3 SER 13 10.645 2.768 14.527 93 HG SER 13 HG SER 13 11.842 2.463 12.549 94 H GLY 14 H GLY 14 10.346 1.005 10.876 95 HA2 GLY 14 HA2 GLY 14 12.063 -1.081 11.945 96 HA3 GLY 14 HA3 GLY 14 10.690 -1.638 11.010 97 H ILE 15 H ILE 15 12.213 -2.599 9.636 98 HA ILE 15 HA ILE 15 13.356 -0.737 7.663 99 HB ILE 15 HB ILE 15 14.563 -3.285 8.763 100 HG12 ILE 15 HG12 ILE 15 15.796 -0.521 8.667 101 HG13 ILE 15 HG13 ILE 15 14.941 -1.168 10.049 102 HG21 ILE 15 HG21 ILE 15 15.525 -1.732 6.368 103 HG22 ILE 15 HG22 ILE 15 14.930 -3.394 6.401 104 HG23 ILE 15 HG23 ILE 15 16.452 -2.984 7.195 105 HD11 ILE 15 HD11 ILE 15 16.655 -2.954 10.213 106 HD12 ILE 15 HD12 ILE 15 17.279 -1.322 10.454 107 HD13 ILE 15 HD13 ILE 15 17.546 -2.147 8.921 108 H ILE 16 H ILE 16 12.976 -1.235 5.530 109 HA ILE 16 HA ILE 16 11.142 -3.468 5.024 110 HB ILE 16 HB ILE 16 11.042 -0.735 4.319 111 HG12 ILE 16 HG12 ILE 16 9.293 -3.101 3.656 112 HG13 ILE 16 HG13 ILE 16 9.115 -1.972 4.985 113 HG21 ILE 16 HG21 ILE 16 12.377 -1.580 2.245 114 HG22 ILE 16 HG22 ILE 16 11.012 -0.481 2.031 115 HG23 ILE 16 HG23 ILE 16 10.804 -2.215 1.731 116 HD11 ILE 16 HD11 ILE 16 8.546 -1.511 2.074 117 HD12 ILE 16 HD12 ILE 16 8.705 -0.188 3.224 118 HD13 ILE 16 HD13 ILE 16 7.443 -1.394 3.445 119 H ALA 17 H ALA 17 11.584 -5.034 3.534 120 HA ALA 17 HA ALA 17 14.008 -4.801 1.887 121 HB1 ALA 17 HB1 ALA 17 14.636 -6.033 3.915 122 HB2 ALA 17 HB2 ALA 17 14.726 -7.054 2.478 123 HB3 ALA 17 HB3 ALA 17 13.365 -7.212 3.588 124 H ILE 18 H ILE 18 13.966 -5.935 -0.076 125 HA ILE 18 HA ILE 18 11.326 -7.000 -0.815 126 HB ILE 18 HB ILE 18 13.508 -5.924 -2.612 127 HG12 ILE 18 HG12 ILE 18 10.703 -4.916 -2.250 128 HG13 ILE 18 HG13 ILE 18 12.032 -4.317 -1.283 129 HG21 ILE 18 HG21 ILE 18 12.367 -7.846 -3.642 130 HG22 ILE 18 HG22 ILE 18 12.089 -6.334 -4.503 131 HG23 ILE 18 HG23 ILE 18 10.830 -7.000 -3.461 132 HD11 ILE 18 HD11 ILE 18 13.119 -3.658 -3.468 133 HD12 ILE 18 HD12 ILE 18 11.686 -2.749 -2.991 134 HD13 ILE 18 HD13 ILE 18 11.562 -4.001 -4.233 135 H ASN 19 H ASN 19 11.055 -9.023 -1.287 136 HA ASN 19 HA ASN 19 13.295 -10.883 -1.388 137 HB2 ASN 19 HB2 ASN 19 10.305 -11.352 -1.082 138 HB3 ASN 19 HB3 ASN 19 11.529 -12.608 -1.068 139 HD21 ASN 19 HD21 ASN 19 9.792 -12.350 1.048 140 HD22 ASN 19 HD22 ASN 19 10.653 -11.794 2.438 141 H GLU 20 H GLU 20 14.093 -11.044 -3.401 142 HA GLU 20 HA GLU 20 12.250 -11.895 -5.534 143 HB2 GLU 20 HB2 GLU 20 14.826 -10.346 -5.885 144 HB3 GLU 20 HB3 GLU 20 13.849 -10.971 -7.195 145 HG2 GLU 20 HG2 GLU 20 12.006 -9.477 -6.414 146 HG3 GLU 20 HG3 GLU 20 13.126 -8.803 -5.239 147 H ASP 21 H ASP 21 13.541 -13.259 -7.247 148 HA ASP 21 HA ASP 21 14.598 -15.227 -7.748 149 HB2 ASP 21 HB2 ASP 21 16.226 -14.718 -5.245 150 HB3 ASP 21 HB3 ASP 21 16.534 -16.011 -6.389 151 H VAL 22 H VAL 22 12.593 -14.679 -5.337 152 HA VAL 22 HA VAL 22 12.421 -17.412 -4.302 153 HB VAL 22 HB VAL 22 10.847 -16.443 -2.615 154 HG11 VAL 22 HG11 VAL 22 12.586 -15.248 -1.322 155 HG12 VAL 22 HG12 VAL 22 13.591 -15.199 -2.775 156 HG13 VAL 22 HG13 VAL 22 13.167 -16.749 -2.045 157 HG21 VAL 22 HG21 VAL 22 10.041 -14.468 -3.855 158 HG22 VAL 22 HG22 VAL 22 11.652 -13.754 -3.764 159 HG23 VAL 22 HG23 VAL 22 10.715 -14.008 -2.292 160 H SER 23 H SER 23 9.822 -17.772 -3.725 161 HA SER 23 HA SER 23 8.429 -17.961 -6.242 162 HB2 SER 23 HB2 SER 23 6.647 -18.955 -4.937 163 HB3 SER 23 HB3 SER 23 8.165 -19.549 -4.275 164 HG SER 23 HG SER 23 6.780 -18.890 -2.613 165 HA PRO 24 HA PRO 24 7.079 -14.534 -7.538 166 HB2 PRO 24 HB2 PRO 24 4.479 -14.059 -6.128 167 HB3 PRO 24 HB3 PRO 24 4.880 -13.862 -7.839 168 HG2 PRO 24 HG2 PRO 24 3.615 -15.992 -7.021 169 HG3 PRO 24 HG3 PRO 24 4.753 -16.121 -8.186 170 HD2 PRO 24 HD2 PRO 24 4.897 -16.995 -5.505 171 HD3 PRO 24 HD3 PRO 24 5.681 -17.595 -6.806 172 H ALA 25 H ALA 25 7.957 -12.636 -7.204 173 HA ALA 25 HA ALA 25 9.231 -12.103 -4.851 174 HB1 ALA 25 HB1 ALA 25 8.660 -10.143 -7.060 175 HB2 ALA 25 HB2 ALA 25 10.018 -11.267 -6.988 176 HB3 ALA 25 HB3 ALA 25 9.892 -9.958 -5.812 177 H GLU 26 H GLU 26 9.124 -10.784 -3.225 178 HA GLU 26 HA GLU 26 6.480 -9.698 -2.634 179 HB2 GLU 26 HB2 GLU 26 8.080 -10.925 -0.449 180 HB3 GLU 26 HB3 GLU 26 6.363 -10.816 -0.622 181 HG2 GLU 26 HG2 GLU 26 6.309 -12.659 -2.145 182 HG3 GLU 26 HG3 GLU 26 8.063 -12.686 -2.232 183 H LEU 27 H LEU 27 6.511 -8.230 -0.680 184 HA LEU 27 HA LEU 27 9.140 -7.008 -0.180 185 HB2 LEU 27 HB2 LEU 27 7.810 -5.332 -1.302 186 HB3 LEU 27 HB3 LEU 27 6.442 -5.654 -0.282 187 HG LEU 27 HG LEU 27 8.274 -4.911 1.584 188 HD11 LEU 27 HD11 LEU 27 8.778 -3.132 -0.788 189 HD12 LEU 27 HD12 LEU 27 9.905 -4.347 -0.186 190 HD13 LEU 27 HD13 LEU 27 9.466 -2.978 0.833 191 HD21 LEU 27 HD21 LEU 27 5.952 -4.153 1.354 192 HD22 LEU 27 HD22 LEU 27 6.442 -3.085 0.038 193 HD23 LEU 27 HD23 LEU 27 7.059 -2.819 1.665 194 H THR 28 H THR 28 9.829 -7.275 1.833 195 HA THR 28 HA THR 28 7.869 -8.170 3.842 196 HB THR 28 HB THR 28 10.781 -8.975 3.581 197 HG1 THR 28 HG1 THR 28 9.248 -11.079 3.548 198 HG21 THR 28 HG21 THR 28 8.699 -9.811 5.617 199 HG22 THR 28 HG22 THR 28 10.175 -8.888 5.945 200 HG23 THR 28 HG23 THR 28 10.280 -10.570 5.416 201 H TRP 29 H TRP 29 7.447 -6.454 5.086 202 HA TRP 29 HA TRP 29 9.562 -4.711 6.025 203 HB2 TRP 29 HB2 TRP 29 7.348 -3.713 5.629 204 HB3 TRP 29 HB3 TRP 29 6.623 -4.823 6.783 205 HD1 TRP 29 HD1 TRP 29 8.773 -1.661 6.628 206 HE1 TRP 29 HE1 TRP 29 8.884 -0.589 8.964 207 HE3 TRP 29 HE3 TRP 29 6.418 -5.321 9.321 208 HZ2 TRP 29 HZ2 TRP 29 8.083 -1.213 11.599 209 HZ3 TRP 29 HZ3 TRP 29 6.133 -4.998 11.742 210 HH2 TRP 29 HH2 TRP 29 6.947 -2.984 12.853 211 H ARG 30 H ARG 30 10.624 -4.889 7.875 212 HA ARG 30 HA ARG 30 9.557 -6.656 9.970 213 HB2 ARG 30 HB2 ARG 30 12.442 -6.344 9.139 214 HB3 ARG 30 HB3 ARG 30 11.914 -7.158 10.597 215 HG2 ARG 30 HG2 ARG 30 10.687 -8.782 9.242 216 HG3 ARG 30 HG3 ARG 30 11.278 -7.990 7.787 217 HD2 ARG 30 HD2 ARG 30 12.643 -9.870 8.202 218 HD3 ARG 30 HD3 ARG 30 13.594 -8.444 8.583 219 HE ARG 30 HE ARG 30 12.212 -9.725 10.801 220 HH11 ARG 30 HH11 ARG 30 15.258 -9.327 9.091 221 HH12 ARG 30 HH12 ARG 30 16.207 -9.905 10.419 222 HH21 ARG 30 HH21 ARG 30 13.478 -10.480 12.520 223 HH22 ARG 30 HH22 ARG 30 15.200 -10.556 12.356 224 H SER 31 H SER 31 9.909 -5.965 12.106 225 HA SER 31 HA SER 31 10.056 -3.158 12.513 226 HB2 SER 31 HB2 SER 31 9.908 -3.716 14.906 227 HB3 SER 31 HB3 SER 31 8.706 -4.582 13.967 228 HG SER 31 HG SER 31 9.881 -6.432 14.193 229 H THR 32 H THR 32 11.703 -2.173 14.154 230 HA THR 32 HA THR 32 14.200 -2.231 12.903 231 HB THR 32 HB THR 32 13.724 -1.343 15.746 232 HG1 THR 32 HG1 THR 32 13.180 -0.177 13.260 233 HG21 THR 32 HG21 THR 32 15.871 -0.480 13.808 234 HG22 THR 32 HG22 THR 32 16.110 -1.648 15.107 235 HG23 THR 32 HG23 THR 32 15.690 0.023 15.490 236 H ASP 33 H ASP 33 13.059 -4.264 15.497 237 HA ASP 33 HA ASP 33 15.696 -5.516 15.756 238 HB2 ASP 33 HB2 ASP 33 13.164 -5.889 17.368 239 HB3 ASP 33 HB3 ASP 33 14.624 -6.833 17.615 240 H GLY 34 H GLY 34 12.469 -6.127 14.540 241 HA2 GLY 34 HA2 GLY 34 12.073 -7.469 12.642 242 HA3 GLY 34 HA3 GLY 34 13.507 -8.405 12.995 243 H ASP 35 H ASP 35 11.448 -7.839 15.693 244 HA ASP 35 HA ASP 35 10.554 -10.583 15.778 245 HB2 ASP 35 HB2 ASP 35 9.433 -9.912 17.883 246 HB3 ASP 35 HB3 ASP 35 11.128 -9.441 17.862 247 H LYS 36 H LYS 36 9.268 -7.482 14.835 248 HA LYS 36 HA LYS 36 6.668 -8.667 14.150 249 HB2 LYS 36 HB2 LYS 36 7.656 -5.812 14.276 250 HB3 LYS 36 HB3 LYS 36 6.121 -6.248 13.555 251 HG2 LYS 36 HG2 LYS 36 5.344 -7.098 15.670 252 HG3 LYS 36 HG3 LYS 36 6.915 -6.767 16.405 253 HD2 LYS 36 HD2 LYS 36 6.468 -4.359 15.461 254 HD3 LYS 36 HD3 LYS 36 4.783 -4.876 15.537 255 HE2 LYS 36 HE2 LYS 36 5.163 -3.842 17.590 256 HE3 LYS 36 HE3 LYS 36 5.280 -5.563 17.943 257 HZ1 LYS 36 HZ1 LYS 36 7.576 -3.720 17.534 258 HZ2 LYS 36 HZ2 LYS 36 7.695 -5.377 17.852 259 HZ3 LYS 36 HZ3 LYS 36 7.053 -4.334 19.020 260 H VAL 37 H VAL 37 6.142 -9.074 12.055 261 HA VAL 37 HA VAL 37 7.763 -7.979 9.905 262 HB VAL 37 HB VAL 37 9.103 -9.880 10.527 263 HG11 VAL 37 HG11 VAL 37 7.493 -11.270 11.675 264 HG12 VAL 37 HG12 VAL 37 8.316 -12.201 10.424 265 HG13 VAL 37 HG13 VAL 37 6.672 -11.623 10.154 266 HG21 VAL 37 HG21 VAL 37 9.423 -10.857 8.437 267 HG22 VAL 37 HG22 VAL 37 8.658 -9.307 8.075 268 HG23 VAL 37 HG23 VAL 37 7.706 -10.790 8.039 269 H HIS 38 H HIS 38 6.653 -7.665 8.075 270 HA HIS 38 HA HIS 38 4.112 -9.092 7.633 271 HB2 HIS 38 HB2 HIS 38 4.656 -6.137 7.227 272 HB3 HIS 38 HB3 HIS 38 3.215 -6.961 6.648 273 HD1 HIS 38 HD1 HIS 38 1.558 -7.861 8.516 274 HD2 HIS 38 HD2 HIS 38 4.587 -5.362 9.875 275 HE1 HIS 38 HE1 HIS 38 0.854 -7.142 10.821 276 HE2 HIS 38 HE2 HIS 38 2.745 -5.702 11.657 277 H THR 39 H THR 39 3.583 -9.480 5.406 278 HA THR 39 HA THR 39 5.813 -9.053 3.528 279 HB THR 39 HB THR 39 4.291 -11.646 3.892 280 HG1 THR 39 HG1 THR 39 6.321 -10.772 5.212 281 HG21 THR 39 HG21 THR 39 5.830 -12.582 2.209 282 HG22 THR 39 HG22 THR 39 6.505 -10.975 1.943 283 HG23 THR 39 HG23 THR 39 4.824 -11.306 1.522 284 H VAL 40 H VAL 40 5.332 -8.595 1.472 285 HA VAL 40 HA VAL 40 2.509 -8.485 0.612 286 HB VAL 40 HB VAL 40 4.644 -6.422 -0.013 287 HG11 VAL 40 HG11 VAL 40 2.961 -5.081 -1.050 288 HG12 VAL 40 HG12 VAL 40 1.704 -6.218 -0.581 289 HG13 VAL 40 HG13 VAL 40 2.904 -6.688 -1.788 290 HG21 VAL 40 HG21 VAL 40 3.269 -4.867 1.351 291 HG22 VAL 40 HG22 VAL 40 4.059 -6.145 2.276 292 HG23 VAL 40 HG23 VAL 40 2.337 -6.259 1.903 293 H VAL 41 H VAL 41 2.426 -10.128 -0.904 294 HA VAL 41 HA VAL 41 4.626 -10.631 -2.713 295 HB VAL 41 HB VAL 41 1.824 -11.843 -2.648 296 HG11 VAL 41 HG11 VAL 41 4.279 -12.724 -4.188 297 HG12 VAL 41 HG12 VAL 41 2.804 -12.047 -4.878 298 HG13 VAL 41 HG13 VAL 41 2.763 -13.619 -4.080 299 HG21 VAL 41 HG21 VAL 41 4.471 -12.901 -1.631 300 HG22 VAL 41 HG22 VAL 41 2.959 -13.812 -1.677 301 HG23 VAL 41 HG23 VAL 41 3.099 -12.386 -0.647 302 H LEU 42 H LEU 42 4.870 -9.576 -4.643 303 HA LEU 42 HA LEU 42 3.031 -7.477 -5.228 304 HB2 LEU 42 HB2 LEU 42 5.580 -8.317 -6.582 305 HB3 LEU 42 HB3 LEU 42 4.559 -7.087 -7.270 306 HG LEU 42 HG LEU 42 6.234 -5.892 -6.172 307 HD11 LEU 42 HD11 LEU 42 5.163 -4.635 -4.499 308 HD12 LEU 42 HD12 LEU 42 4.127 -5.979 -4.048 309 HD13 LEU 42 HD13 LEU 42 3.899 -5.175 -5.602 310 HD21 LEU 42 HD21 LEU 42 7.197 -7.755 -4.913 311 HD22 LEU 42 HD22 LEU 42 5.886 -7.620 -3.739 312 HD23 LEU 42 HD23 LEU 42 7.034 -6.297 -3.933 313 H SER 43 H SER 43 3.405 -10.678 -6.499 314 HA SER 43 HA SER 43 2.078 -10.290 -8.994 315 HB2 SER 43 HB2 SER 43 1.910 -12.698 -9.091 316 HB3 SER 43 HB3 SER 43 3.460 -12.293 -8.365 317 HG SER 43 HG SER 43 2.852 -13.149 -6.530 318 H THR 44 H THR 44 1.024 -9.906 -5.896 319 HA THR 44 HA THR 44 -1.811 -10.350 -6.577 320 HB THR 44 HB THR 44 -2.283 -10.535 -4.192 321 HG1 THR 44 HG1 THR 44 -0.163 -9.175 -3.785 322 HG21 THR 44 HG21 THR 44 0.076 -12.263 -4.922 323 HG22 THR 44 HG22 THR 44 -1.613 -12.603 -5.313 324 HG23 THR 44 HG23 THR 44 -1.081 -12.597 -3.631 325 H ILE 45 H ILE 45 0.350 -8.033 -6.709 326 HA ILE 45 HA ILE 45 -1.279 -5.892 -5.499 327 HB ILE 45 HB ILE 45 1.698 -6.023 -6.023 328 HG12 ILE 45 HG12 ILE 45 0.834 -7.206 -3.978 329 HG13 ILE 45 HG13 ILE 45 2.017 -5.954 -3.650 330 HG21 ILE 45 HG21 ILE 45 2.001 -3.808 -5.217 331 HG22 ILE 45 HG22 ILE 45 0.290 -3.651 -4.816 332 HG23 ILE 45 HG23 ILE 45 0.794 -3.749 -6.504 333 HD11 ILE 45 HD11 ILE 45 0.166 -6.033 -2.013 334 HD12 ILE 45 HD12 ILE 45 -0.957 -5.625 -3.295 335 HD13 ILE 45 HD13 ILE 45 0.295 -4.476 -2.826 336 H ASP 46 H ASP 46 -1.777 -4.093 -6.714 337 HA ASP 46 HA ASP 46 -1.393 -4.401 -9.615 338 HB2 ASP 46 HB2 ASP 46 -3.707 -4.729 -8.870 339 HB3 ASP 46 HB3 ASP 46 -3.717 -3.152 -8.117 340 H LYS 47 H LYS 47 -1.666 -1.931 -7.035 341 HA LYS 47 HA LYS 47 -0.094 -0.116 -8.706 342 HB2 LYS 47 HB2 LYS 47 -2.609 0.488 -7.135 343 HB3 LYS 47 HB3 LYS 47 -1.545 1.741 -7.750 344 HG2 LYS 47 HG2 LYS 47 -1.895 0.913 -9.995 345 HG3 LYS 47 HG3 LYS 47 -2.963 -0.316 -9.363 346 HD2 LYS 47 HD2 LYS 47 -4.169 1.838 -8.325 347 HD3 LYS 47 HD3 LYS 47 -3.437 2.589 -9.740 348 HE2 LYS 47 HE2 LYS 47 -5.473 1.965 -10.594 349 HE3 LYS 47 HE3 LYS 47 -4.498 0.560 -11.006 350 HZ1 LYS 47 HZ1 LYS 47 -6.285 0.772 -8.643 351 HZ2 LYS 47 HZ2 LYS 47 -5.337 -0.570 -9.043 352 HZ3 LYS 47 HZ3 LYS 47 -6.611 -0.103 -10.054 353 H LEU 48 H LEU 48 0.762 1.806 -7.407 354 HA LEU 48 HA LEU 48 1.239 1.360 -4.551 355 HB2 LEU 48 HB2 LEU 48 3.790 2.058 -5.337 356 HB3 LEU 48 HB3 LEU 48 3.297 0.445 -4.893 357 HG LEU 48 HG LEU 48 2.821 0.026 -7.330 358 HD11 LEU 48 HD11 LEU 48 3.394 2.796 -7.522 359 HD12 LEU 48 HD12 LEU 48 2.989 1.667 -8.812 360 HD13 LEU 48 HD13 LEU 48 4.678 1.916 -8.354 361 HD21 LEU 48 HD21 LEU 48 4.807 -0.780 -6.136 362 HD22 LEU 48 HD22 LEU 48 5.646 0.712 -6.588 363 HD23 LEU 48 HD23 LEU 48 5.114 -0.418 -7.832 364 H GLN 49 H GLN 49 1.315 3.361 -3.485 365 HA GLN 49 HA GLN 49 1.663 5.774 -5.149 366 HB2 GLN 49 HB2 GLN 49 -0.622 5.293 -3.197 367 HB3 GLN 49 HB3 GLN 49 -0.213 6.856 -3.857 368 HG2 GLN 49 HG2 GLN 49 -0.692 6.105 -6.100 369 HG3 GLN 49 HG3 GLN 49 -1.010 4.473 -5.526 370 HE21 GLN 49 HE21 GLN 49 -2.933 5.602 -7.035 371 HE22 GLN 49 HE22 GLN 49 -4.281 6.093 -6.074 372 H ALA 50 H ALA 50 3.281 6.981 -4.384 373 HA ALA 50 HA ALA 50 3.888 6.908 -1.495 374 HB1 ALA 50 HB1 ALA 50 6.217 7.129 -2.025 375 HB2 ALA 50 HB2 ALA 50 5.845 7.372 -3.733 376 HB3 ALA 50 HB3 ALA 50 5.543 5.808 -2.979 377 H THR 51 H THR 51 4.775 8.784 -0.487 378 HA THR 51 HA THR 51 3.425 11.209 -1.160 379 HB THR 51 HB THR 51 5.098 12.108 0.718 380 HG1 THR 51 HG1 THR 51 5.929 9.670 0.524 381 HG21 THR 51 HG21 THR 51 3.472 11.132 2.444 382 HG22 THR 51 HG22 THR 51 2.670 10.343 1.090 383 HG23 THR 51 HG23 THR 51 2.765 12.106 1.154 384 HA PRO 52 HA PRO 52 6.620 13.065 -3.877 385 HB2 PRO 52 HB2 PRO 52 5.162 15.554 -3.204 386 HB3 PRO 52 HB3 PRO 52 5.577 14.891 -4.785 387 HG2 PRO 52 HG2 PRO 52 3.121 14.782 -3.878 388 HG3 PRO 52 HG3 PRO 52 3.727 13.558 -4.773 389 HD2 PRO 52 HD2 PRO 52 3.301 13.593 -1.921 390 HD3 PRO 52 HD3 PRO 52 3.122 12.325 -2.935 391 H ALA 53 H ALA 53 8.215 14.808 -3.693 392 HA ALA 53 HA ALA 53 9.332 15.021 -1.058 393 HB1 ALA 53 HB1 ALA 53 11.162 16.206 -2.156 394 HB2 ALA 53 HB2 ALA 53 10.219 16.296 -3.643 395 HB3 ALA 53 HB3 ALA 53 10.746 14.729 -3.026 396 H SER 54 H SER 54 7.033 16.829 -2.698 397 HA SER 54 HA SER 54 7.538 19.288 -1.200 398 HB2 SER 54 HB2 SER 54 5.740 20.244 -2.513 399 HB3 SER 54 HB3 SER 54 6.890 19.446 -3.577 400 HG SER 54 HG SER 54 4.311 18.607 -2.801 401 H SER 55 H SER 55 5.778 16.406 -0.995 402 HA SER 55 HA SER 55 3.492 17.259 0.437 403 HB2 SER 55 HB2 SER 55 3.385 15.231 -0.773 404 HB3 SER 55 HB3 SER 55 4.756 14.551 0.102 405 HG SER 55 HG SER 55 2.602 15.432 1.621 406 H GLU 56 H GLU 56 3.024 17.358 2.535 407 HA GLU 56 HA GLU 56 4.983 17.680 4.541 408 HB2 GLU 56 HB2 GLU 56 3.040 17.612 6.091 409 HB3 GLU 56 HB3 GLU 56 2.865 18.764 4.781 410 HG2 GLU 56 HG2 GLU 56 1.680 16.002 4.711 411 HG3 GLU 56 HG3 GLU 56 0.832 17.396 5.376 412 H LYS 57 H LYS 57 3.526 14.934 3.230 413 HA LYS 57 HA LYS 57 3.690 13.281 5.602 414 HB2 LYS 57 HB2 LYS 57 2.591 12.849 2.846 415 HB3 LYS 57 HB3 LYS 57 2.591 11.638 4.091 416 HG2 LYS 57 HG2 LYS 57 1.173 13.045 5.459 417 HG3 LYS 57 HG3 LYS 57 1.191 14.278 4.220 418 HD2 LYS 57 HD2 LYS 57 -0.180 13.093 2.828 419 HD3 LYS 57 HD3 LYS 57 0.266 11.540 3.544 420 HE2 LYS 57 HE2 LYS 57 -0.809 12.356 5.657 421 HE3 LYS 57 HE3 LYS 57 -1.477 13.687 4.717 422 HZ1 LYS 57 HZ1 LYS 57 -2.591 12.078 3.289 423 HZ2 LYS 57 HZ2 LYS 57 -3.068 11.884 4.900 424 HZ3 LYS 57 HZ3 LYS 57 -1.973 10.800 4.208 425 H MET 58 H MET 58 4.791 11.340 5.701 426 HA MET 58 HA MET 58 6.598 10.669 3.476 427 HB2 MET 58 HB2 MET 58 7.155 10.256 6.423 428 HB3 MET 58 HB3 MET 58 8.212 9.797 5.111 429 HG2 MET 58 HG2 MET 58 8.626 12.095 4.557 430 HG3 MET 58 HG3 MET 58 7.407 12.638 5.705 431 HE1 MET 58 HE1 MET 58 7.817 11.188 8.345 432 HE2 MET 58 HE2 MET 58 7.782 12.948 8.230 433 HE3 MET 58 HE3 MET 58 9.060 12.149 9.146 434 H MET 59 H MET 59 5.408 9.075 2.533 435 HA MET 59 HA MET 59 4.786 6.664 3.990 436 HB2 MET 59 HB2 MET 59 2.410 6.702 3.476 437 HB3 MET 59 HB3 MET 59 2.835 8.064 4.475 438 HG2 MET 59 HG2 MET 59 2.699 9.536 2.656 439 HG3 MET 59 HG3 MET 59 2.583 8.244 1.484 440 HE1 MET 59 HE1 MET 59 -1.221 7.173 1.905 441 HE2 MET 59 HE2 MET 59 0.128 6.377 2.730 442 HE3 MET 59 HE3 MET 59 0.294 6.881 1.044 443 H LEU 60 H LEU 60 4.115 4.911 2.685 444 HA LEU 60 HA LEU 60 4.247 5.231 -0.222 445 HB2 LEU 60 HB2 LEU 60 6.486 4.576 0.369 446 HB3 LEU 60 HB3 LEU 60 5.902 3.327 1.439 447 HG LEU 60 HG LEU 60 5.054 2.086 -0.549 448 HD11 LEU 60 HD11 LEU 60 4.854 4.088 -1.994 449 HD12 LEU 60 HD12 LEU 60 5.646 2.703 -2.741 450 HD13 LEU 60 HD13 LEU 60 6.611 4.069 -2.170 451 HD21 LEU 60 HD21 LEU 60 7.231 1.393 -1.435 452 HD22 LEU 60 HD22 LEU 60 7.212 1.465 0.333 453 HD23 LEU 60 HD23 LEU 60 7.990 2.755 -0.592 454 H ARG 61 H ARG 61 2.437 4.349 -1.039 455 HA ARG 61 HA ARG 61 0.955 2.407 0.587 456 HB2 ARG 61 HB2 ARG 61 -0.288 4.391 -0.067 457 HB3 ARG 61 HB3 ARG 61 0.042 4.093 -1.747 458 HG2 ARG 61 HG2 ARG 61 -1.318 2.035 -1.611 459 HG3 ARG 61 HG3 ARG 61 -1.682 2.450 0.057 460 HD2 ARG 61 HD2 ARG 61 -2.455 4.055 -2.362 461 HD3 ARG 61 HD3 ARG 61 -3.515 3.070 -1.362 462 HE ARG 61 HE ARG 61 -2.672 5.731 -0.832 463 HH11 ARG 61 HH11 ARG 61 -3.560 2.721 0.752 464 HH12 ARG 61 HH12 ARG 61 -4.047 3.498 2.220 465 HH21 ARG 61 HH21 ARG 61 -3.323 6.724 1.114 466 HH22 ARG 61 HH22 ARG 61 -3.917 5.756 2.421 467 H LEU 62 H LEU 62 0.201 0.489 -0.235 468 HA LEU 62 HA LEU 62 1.200 -0.392 -2.859 469 HB2 LEU 62 HB2 LEU 62 1.459 -1.661 -0.169 470 HB3 LEU 62 HB3 LEU 62 1.261 -2.695 -1.561 471 HG LEU 62 HG LEU 62 3.442 -0.732 -1.793 472 HD11 LEU 62 HD11 LEU 62 3.591 -1.197 0.572 473 HD12 LEU 62 HD12 LEU 62 4.955 -1.890 -0.306 474 HD13 LEU 62 HD13 LEU 62 3.638 -2.928 0.240 475 HD21 LEU 62 HD21 LEU 62 3.481 -3.726 -2.128 476 HD22 LEU 62 HD22 LEU 62 4.677 -2.565 -2.706 477 HD23 LEU 62 HD23 LEU 62 3.057 -2.593 -3.405 478 H ILE 63 H ILE 63 -0.584 -0.558 -4.052 479 HA ILE 63 HA ILE 63 -3.174 -1.129 -2.867 480 HB ILE 63 HB ILE 63 -2.396 -0.427 -5.706 481 HG12 ILE 63 HG12 ILE 63 -3.613 1.265 -3.518 482 HG13 ILE 63 HG13 ILE 63 -2.060 1.502 -4.290 483 HG21 ILE 63 HG21 ILE 63 -5.164 -0.612 -4.536 484 HG22 ILE 63 HG22 ILE 63 -4.466 -1.692 -5.744 485 HG23 ILE 63 HG23 ILE 63 -4.767 0.002 -6.144 486 HD11 ILE 63 HD11 ILE 63 -3.655 3.133 -5.042 487 HD12 ILE 63 HD12 ILE 63 -4.748 1.859 -5.582 488 HD13 ILE 63 HD13 ILE 63 -3.184 2.078 -6.373 489 H GLY 64 H GLY 64 -4.370 -2.947 -3.151 490 HA2 GLY 64 HA2 GLY 64 -2.888 -5.297 -4.021 491 HA3 GLY 64 HA3 GLY 64 -4.338 -5.292 -3.041 492 H LYS 65 H LYS 65 -3.970 -7.062 -5.116 493 HA LYS 65 HA LYS 65 -5.475 -6.111 -7.397 494 HB2 LYS 65 HB2 LYS 65 -3.532 -7.646 -7.638 495 HB3 LYS 65 HB3 LYS 65 -4.486 -8.889 -6.833 496 HG2 LYS 65 HG2 LYS 65 -6.127 -8.807 -8.583 497 HG3 LYS 65 HG3 LYS 65 -5.246 -7.513 -9.391 498 HD2 LYS 65 HD2 LYS 65 -3.309 -9.014 -9.637 499 HD3 LYS 65 HD3 LYS 65 -4.245 -10.316 -8.910 500 HE2 LYS 65 HE2 LYS 65 -5.858 -10.164 -10.746 501 HE3 LYS 65 HE3 LYS 65 -4.936 -8.844 -11.457 502 HZ1 LYS 65 HZ1 LYS 65 -4.462 -10.948 -12.536 503 HZ2 LYS 65 HZ2 LYS 65 -3.969 -11.626 -11.066 504 HZ3 LYS 65 HZ3 LYS 65 -3.080 -10.363 -11.755 505 H VAL 66 H VAL 66 -7.533 -5.982 -7.264 506 HA VAL 66 HA VAL 66 -9.078 -8.121 -5.986 507 HB VAL 66 HB VAL 66 -9.328 -5.169 -5.600 508 HG11 VAL 66 HG11 VAL 66 -11.552 -5.824 -6.519 509 HG12 VAL 66 HG12 VAL 66 -11.600 -5.223 -4.861 510 HG13 VAL 66 HG13 VAL 66 -11.717 -6.958 -5.175 511 HG21 VAL 66 HG21 VAL 66 -8.288 -6.417 -3.864 512 HG22 VAL 66 HG22 VAL 66 -9.589 -7.604 -3.858 513 HG23 VAL 66 HG23 VAL 66 -9.896 -5.970 -3.286 514 H ASP 67 H ASP 67 -10.966 -8.751 -6.948 515 HA ASP 67 HA ASP 67 -11.356 -7.935 -9.730 516 HB2 ASP 67 HB2 ASP 67 -11.200 -10.368 -9.187 517 HB3 ASP 67 HB3 ASP 67 -12.664 -10.221 -8.220 518 H GLU 68 H GLU 68 -12.472 -6.062 -9.724 519 HA GLU 68 HA GLU 68 -14.788 -5.689 -8.009 520 HB2 GLU 68 HB2 GLU 68 -13.550 -3.906 -10.125 521 HB3 GLU 68 HB3 GLU 68 -14.941 -3.458 -9.152 522 HG2 GLU 68 HG2 GLU 68 -13.568 -3.664 -7.124 523 HG3 GLU 68 HG3 GLU 68 -12.173 -4.061 -8.127 524 H SER 69 H SER 69 -14.271 -7.255 -10.874 525 HA SER 69 HA SER 69 -16.695 -6.681 -12.264 526 HB2 SER 69 HB2 SER 69 -16.041 -8.309 -13.766 527 HB3 SER 69 HB3 SER 69 -14.482 -7.926 -13.037 528 HG SER 69 HG SER 69 -14.604 -9.760 -11.817 529 H LYS 70 H LYS 70 -16.014 -8.375 -9.396 530 HA LYS 70 HA LYS 70 -18.447 -9.965 -9.491 531 HB2 LYS 70 HB2 LYS 70 -16.404 -9.690 -7.285 532 HB3 LYS 70 HB3 LYS 70 -17.785 -10.764 -7.251 533 HG2 LYS 70 HG2 LYS 70 -16.891 -11.989 -9.138 534 HG3 LYS 70 HG3 LYS 70 -15.522 -10.905 -9.238 535 HD2 LYS 70 HD2 LYS 70 -14.803 -11.622 -6.990 536 HD3 LYS 70 HD3 LYS 70 -16.184 -12.711 -6.896 537 HE2 LYS 70 HE2 LYS 70 -15.305 -13.978 -8.810 538 HE3 LYS 70 HE3 LYS 70 -13.930 -12.875 -8.899 539 HZ1 LYS 70 HZ1 LYS 70 -14.584 -14.683 -6.633 540 HZ2 LYS 70 HZ2 LYS 70 -13.301 -13.581 -6.655 541 HZ3 LYS 70 HZ3 LYS 70 -13.319 -14.881 -7.739 542 H LYS 71 H LYS 71 -20.187 -9.638 -8.243 543 HA LYS 71 HA LYS 71 -20.587 -6.904 -7.259 544 HB2 LYS 71 HB2 LYS 71 -22.667 -8.977 -8.005 545 HB3 LYS 71 HB3 LYS 71 -22.990 -7.317 -7.548 546 HG2 LYS 71 HG2 LYS 71 -21.433 -8.128 -9.978 547 HG3 LYS 71 HG3 LYS 71 -23.146 -7.720 -9.966 548 HD2 LYS 71 HD2 LYS 71 -22.571 -5.478 -9.089 549 HD3 LYS 71 HD3 LYS 71 -20.860 -5.896 -9.199 550 HE2 LYS 71 HE2 LYS 71 -21.193 -6.316 -11.617 551 HE3 LYS 71 HE3 LYS 71 -22.836 -5.694 -11.465 552 HZ1 LYS 71 HZ1 LYS 71 -21.897 -3.573 -10.714 553 HZ2 LYS 71 HZ2 LYS 71 -21.353 -3.977 -12.263 554 HZ3 LYS 71 HZ3 LYS 71 -20.332 -4.180 -10.930 555 H ARG 72 H ARG 72 -20.856 -6.491 -5.131 556 HA ARG 72 HA ARG 72 -21.961 -8.643 -3.446 557 HB2 ARG 72 HB2 ARG 72 -19.613 -8.108 -2.837 558 HB3 ARG 72 HB3 ARG 72 -20.058 -6.437 -2.622 559 HG2 ARG 72 HG2 ARG 72 -21.411 -6.991 -0.709 560 HG3 ARG 72 HG3 ARG 72 -21.156 -8.711 -0.992 561 HD2 ARG 72 HD2 ARG 72 -18.779 -8.421 -0.609 562 HD3 ARG 72 HD3 ARG 72 -19.027 -6.707 -0.283 563 HE ARG 72 HE ARG 72 -19.679 -8.940 1.462 564 HH11 ARG 72 HH11 ARG 72 -20.039 -5.490 0.886 565 HH12 ARG 72 HH12 ARG 72 -20.475 -5.148 2.528 566 HH21 ARG 72 HH21 ARG 72 -20.250 -8.465 3.601 567 HH22 ARG 72 HH22 ARG 72 -20.592 -6.829 4.062 568 H LYS 73 H LYS 73 -23.770 -8.128 -2.282 569 HA LYS 73 HA LYS 73 -24.661 -5.313 -2.332 570 HB2 LYS 73 HB2 LYS 73 -26.335 -7.833 -2.487 571 HB3 LYS 73 HB3 LYS 73 -27.005 -6.241 -2.178 572 HG2 LYS 73 HG2 LYS 73 -25.958 -5.500 -4.338 573 HG3 LYS 73 HG3 LYS 73 -25.627 -7.200 -4.648 574 HD2 LYS 73 HD2 LYS 73 -27.994 -7.711 -4.512 575 HD3 LYS 73 HD3 LYS 73 -28.351 -6.024 -4.139 576 HE2 LYS 73 HE2 LYS 73 -27.482 -5.348 -6.318 577 HE3 LYS 73 HE3 LYS 73 -27.086 -7.027 -6.685 578 HZ1 LYS 73 HZ1 LYS 73 -29.821 -5.962 -6.218 579 HZ2 LYS 73 HZ2 LYS 73 -29.437 -7.569 -6.577 580 HZ3 LYS 73 HZ3 LYS 73 -29.161 -6.358 -7.725 581 H ASP 74 H ASP 74 -25.214 -4.421 -0.426 582 HA ASP 74 HA ASP 74 -24.537 -5.792 2.002 583 HB2 ASP 74 HB2 ASP 74 -25.181 -3.009 1.208 584 HB3 ASP 74 HB3 ASP 74 -25.405 -3.451 2.881 585 H ASN 75 H ASN 75 -26.238 -5.090 3.976 586 HA ASN 75 HA ASN 75 -28.246 -7.008 3.798 587 HB2 ASN 75 HB2 ASN 75 -27.879 -4.689 5.682 588 HB3 ASN 75 HB3 ASN 75 -29.209 -5.828 5.857 589 HD21 ASN 75 HD21 ASN 75 -27.238 -5.405 7.792 590 HD22 ASN 75 HD22 ASN 75 -26.318 -6.858 7.964 591 H GLU 76 H GLU 76 -28.449 -3.565 3.049 592 HA GLU 76 HA GLU 76 -31.292 -3.440 2.843 593 HB2 GLU 76 HB2 GLU 76 -30.819 -1.269 1.685 594 HB3 GLU 76 HB3 GLU 76 -30.073 -1.426 3.270 595 HG2 GLU 76 HG2 GLU 76 -28.595 -2.024 0.726 596 HG3 GLU 76 HG3 GLU 76 -28.663 -0.415 1.425 597 H GLY 77 H GLY 77 -28.805 -4.546 0.719 598 HA2 GLY 77 HA2 GLY 77 -29.212 -5.818 -1.233 599 HA3 GLY 77 HA3 GLY 77 -30.770 -5.034 -1.402 600 H ASN 78 H ASN 78 -28.233 -2.891 -0.681 601 HA ASN 78 HA ASN 78 -28.316 -1.712 -3.313 602 HB2 ASN 78 HB2 ASN 78 -28.215 -0.412 -1.110 603 HB3 ASN 78 HB3 ASN 78 -26.526 -0.872 -1.025 604 HD21 ASN 78 HD21 ASN 78 -25.872 1.268 -1.068 605 HD22 ASN 78 HD22 ASN 78 -25.915 2.221 -2.508 606 H GLU 79 H GLU 79 -26.520 -1.382 -4.697 607 HA GLU 79 HA GLU 79 -24.770 -3.658 -4.823 608 HB2 GLU 79 HB2 GLU 79 -25.737 -2.602 -6.861 609 HB3 GLU 79 HB3 GLU 79 -24.797 -1.152 -6.533 610 HG2 GLU 79 HG2 GLU 79 -22.739 -2.438 -6.831 611 HG3 GLU 79 HG3 GLU 79 -23.703 -3.873 -7.177 612 H VAL 80 H VAL 80 -23.190 -3.758 -3.410 613 HA VAL 80 HA VAL 80 -21.398 -1.440 -3.161 614 HB VAL 80 HB VAL 80 -22.453 -1.928 -0.993 615 HG11 VAL 80 HG11 VAL 80 -21.226 -4.669 -1.282 616 HG12 VAL 80 HG12 VAL 80 -22.947 -4.283 -1.312 617 HG13 VAL 80 HG13 VAL 80 -22.018 -4.052 0.169 618 HG21 VAL 80 HG21 VAL 80 -19.583 -2.847 -0.854 619 HG22 VAL 80 HG22 VAL 80 -20.512 -2.021 0.397 620 HG23 VAL 80 HG23 VAL 80 -20.057 -1.159 -1.077 621 H VAL 81 H VAL 81 -19.891 -1.817 -4.627 622 HA VAL 81 HA VAL 81 -19.074 -4.530 -5.176 623 HB VAL 81 HB VAL 81 -18.441 -1.972 -6.645 624 HG11 VAL 81 HG11 VAL 81 -17.625 -3.430 -8.491 625 HG12 VAL 81 HG12 VAL 81 -17.662 -4.787 -7.363 626 HG13 VAL 81 HG13 VAL 81 -16.601 -3.405 -7.054 627 HG21 VAL 81 HG21 VAL 81 -19.913 -2.838 -8.412 628 HG22 VAL 81 HG22 VAL 81 -20.767 -2.581 -6.890 629 HG23 VAL 81 HG23 VAL 81 -20.318 -4.213 -7.384 630 HA PRO 82 HA PRO 82 -15.749 -4.266 -2.259 631 HB2 PRO 82 HB2 PRO 82 -14.630 -6.571 -3.788 632 HB3 PRO 82 HB3 PRO 82 -14.939 -6.423 -2.055 633 HG2 PRO 82 HG2 PRO 82 -16.580 -7.813 -3.435 634 HG3 PRO 82 HG3 PRO 82 -17.224 -6.722 -2.404 635 HD2 PRO 82 HD2 PRO 82 -16.826 -6.301 -5.315 636 HD3 PRO 82 HD3 PRO 82 -18.225 -6.059 -4.508 637 H LYS 83 H LYS 83 -14.019 -3.130 -2.089 638 HA LYS 83 HA LYS 83 -12.583 -2.355 -4.505 639 HB2 LYS 83 HB2 LYS 83 -12.638 -1.067 -1.789 640 HB3 LYS 83 HB3 LYS 83 -11.772 -0.456 -3.166 641 HG2 LYS 83 HG2 LYS 83 -14.728 -0.804 -3.044 642 HG3 LYS 83 HG3 LYS 83 -13.850 0.672 -2.811 643 HD2 LYS 83 HD2 LYS 83 -12.957 0.518 -5.104 644 HD3 LYS 83 HD3 LYS 83 -13.935 -0.929 -5.332 645 HE2 LYS 83 HE2 LYS 83 -15.965 0.433 -4.880 646 HE3 LYS 83 HE3 LYS 83 -14.940 1.864 -4.808 647 HZ1 LYS 83 HZ1 LYS 83 -15.966 1.609 -6.981 648 HZ2 LYS 83 HZ2 LYS 83 -15.253 0.085 -7.165 649 HZ3 LYS 83 HZ3 LYS 83 -14.284 1.469 -7.097 650 HA PRO 84 HA PRO 84 -8.719 -4.302 -3.444 651 HB2 PRO 84 HB2 PRO 84 -6.847 -2.519 -4.187 652 HB3 PRO 84 HB3 PRO 84 -7.766 -3.473 -5.349 653 HG2 PRO 84 HG2 PRO 84 -8.193 -0.687 -4.539 654 HG3 PRO 84 HG3 PRO 84 -8.189 -1.314 -6.047 655 HD2 PRO 84 HD2 PRO 84 -10.621 -1.033 -4.777 656 HD3 PRO 84 HD3 PRO 84 -10.409 -2.335 -5.740 657 H GLN 85 H GLN 85 -7.128 -4.438 -1.946 658 HA GLN 85 HA GLN 85 -7.309 -2.598 0.318 659 HB2 GLN 85 HB2 GLN 85 -7.483 -5.073 0.669 660 HB3 GLN 85 HB3 GLN 85 -5.813 -5.221 0.146 661 HG2 GLN 85 HG2 GLN 85 -5.085 -3.853 2.020 662 HG3 GLN 85 HG3 GLN 85 -6.754 -3.637 2.525 663 HE21 GLN 85 HE21 GLN 85 -5.311 -4.518 4.446 664 HE22 GLN 85 HE22 GLN 85 -5.467 -6.217 4.714 665 H ARG 86 H ARG 86 -5.680 -1.342 1.036 666 HA ARG 86 HA ARG 86 -3.284 -1.181 -0.702 667 HB2 ARG 86 HB2 ARG 86 -4.640 1.165 0.642 668 HB3 ARG 86 HB3 ARG 86 -3.379 1.211 -0.581 669 HG2 ARG 86 HG2 ARG 86 -4.931 0.320 -2.237 670 HG3 ARG 86 HG3 ARG 86 -6.185 0.195 -1.013 671 HD2 ARG 86 HD2 ARG 86 -6.015 2.661 -0.689 672 HD3 ARG 86 HD3 ARG 86 -4.918 2.718 -2.067 673 HE ARG 86 HE ARG 86 -6.704 2.285 -3.489 674 HH11 ARG 86 HH11 ARG 86 -7.799 2.151 -0.152 675 HH12 ARG 86 HH12 ARG 86 -9.477 2.171 -0.584 676 HH21 ARG 86 HH21 ARG 86 -8.905 2.314 -4.027 677 HH22 ARG 86 HH22 ARG 86 -10.100 2.264 -2.776 678 H HIS 87 H HIS 87 -1.324 -1.043 0.274 679 HA HIS 87 HA HIS 87 -1.254 -1.140 3.223 680 HB2 HIS 87 HB2 HIS 87 0.664 -2.363 1.228 681 HB3 HIS 87 HB3 HIS 87 0.822 -2.468 2.969 682 HD1 HIS 87 HD1 HIS 87 -1.289 -3.779 4.160 683 HD2 HIS 87 HD2 HIS 87 -0.663 -4.426 0.100 684 HE1 HIS 87 HE1 HIS 87 -2.472 -5.935 3.630 685 HE2 HIS 87 HE2 HIS 87 -2.008 -6.349 1.190 686 H MET 88 H MET 88 -0.470 0.677 4.143 687 HA MET 88 HA MET 88 1.278 2.466 2.592 688 HB2 MET 88 HB2 MET 88 -0.126 2.915 5.240 689 HB3 MET 88 HB3 MET 88 0.798 4.099 4.359 690 HG2 MET 88 HG2 MET 88 -0.804 3.962 2.482 691 HG3 MET 88 HG3 MET 88 -1.747 2.845 3.432 692 HE1 MET 88 HE1 MET 88 -2.978 4.940 6.418 693 HE2 MET 88 HE2 MET 88 -1.394 4.160 6.438 694 HE3 MET 88 HE3 MET 88 -2.780 3.337 5.713 695 H PHE 89 H PHE 89 3.275 3.196 3.364 696 HA PHE 89 HA PHE 89 4.329 2.104 5.877 697 HB2 PHE 89 HB2 PHE 89 5.728 1.936 3.202 698 HB3 PHE 89 HB3 PHE 89 6.548 1.719 4.731 699 HD1 PHE 89 HD1 PHE 89 4.224 0.255 2.334 700 HD2 PHE 89 HD2 PHE 89 6.275 -0.308 6.014 701 HE1 PHE 89 HE1 PHE 89 3.689 -2.133 2.239 702 HE2 PHE 89 HE2 PHE 89 5.734 -2.707 5.946 703 HZ PHE 89 HZ PHE 89 4.442 -3.625 4.059 704 H SER 90 H SER 90 5.239 3.713 7.041 705 HA SER 90 HA SER 90 5.563 6.332 5.834 706 HB2 SER 90 HB2 SER 90 5.665 5.310 8.642 707 HB3 SER 90 HB3 SER 90 6.231 6.928 8.266 708 HG SER 90 HG SER 90 4.206 7.449 8.407 709 H PHE 91 H PHE 91 7.443 7.536 5.772 710 HA PHE 91 HA PHE 91 9.960 6.003 5.911 711 HB2 PHE 91 HB2 PHE 91 8.772 7.534 3.629 712 HB3 PHE 91 HB3 PHE 91 10.520 7.472 3.789 713 HD1 PHE 91 HD1 PHE 91 7.513 5.299 3.593 714 HD2 PHE 91 HD2 PHE 91 11.702 5.655 2.911 715 HE1 PHE 91 HE1 PHE 91 7.513 3.102 2.480 716 HE2 PHE 91 HE2 PHE 91 11.698 3.461 1.795 717 HZ PHE 91 HZ PHE 91 9.638 2.220 1.515 718 H ASN 92 H ASN 92 11.891 7.575 5.501 719 HA ASN 92 HA ASN 92 11.456 10.095 6.965 720 HB2 ASN 92 HB2 ASN 92 13.892 8.290 7.020 721 HB3 ASN 92 HB3 ASN 92 13.782 9.853 7.820 722 HD21 ASN 92 HD21 ASN 92 13.314 6.549 8.116 723 HD22 ASN 92 HD22 ASN 92 12.442 6.541 9.607 724 H ASN 93 H ASN 93 12.622 8.593 4.102 725 HA ASN 93 HA ASN 93 13.520 11.176 3.041 726 HB2 ASN 93 HB2 ASN 93 15.503 9.753 3.821 727 HB3 ASN 93 HB3 ASN 93 15.103 8.659 2.504 728 HD21 ASN 93 HD21 ASN 93 17.549 9.737 2.523 729 HD22 ASN 93 HD22 ASN 93 17.708 10.939 1.293 730 H ARG 94 H ARG 94 13.133 11.488 0.874 731 HA ARG 94 HA ARG 94 11.186 9.778 -0.367 732 HB2 ARG 94 HB2 ARG 94 12.465 12.371 -1.179 733 HB3 ARG 94 HB3 ARG 94 11.429 11.475 -2.280 734 HG2 ARG 94 HG2 ARG 94 10.113 13.151 -1.225 735 HG3 ARG 94 HG3 ARG 94 9.618 11.592 -0.574 736 HD2 ARG 94 HD2 ARG 94 10.891 11.986 1.438 737 HD3 ARG 94 HD3 ARG 94 11.554 13.472 0.774 738 HE ARG 94 HE ARG 94 8.678 13.435 0.937 739 HH11 ARG 94 HH11 ARG 94 11.629 14.256 2.657 740 HH12 ARG 94 HH12 ARG 94 10.836 15.374 3.715 741 HH21 ARG 94 HH21 ARG 94 7.662 14.904 2.334 742 HH22 ARG 94 HH22 ARG 94 8.594 15.739 3.533 743 H THR 95 H THR 95 14.595 10.006 -0.497 744 HA THR 95 HA THR 95 14.945 9.048 -3.181 745 HB THR 95 HB THR 95 17.329 8.842 -2.603 746 HG1 THR 95 HG1 THR 95 16.320 9.183 0.014 747 HG21 THR 95 HG21 THR 95 16.131 11.383 -1.474 748 HG22 THR 95 HG22 THR 95 16.488 11.087 -3.176 749 HG23 THR 95 HG23 THR 95 17.802 11.173 -2.001 750 H VAL 96 H VAL 96 14.400 7.546 -0.090 751 HA VAL 96 HA VAL 96 15.271 4.911 -0.936 752 HB VAL 96 HB VAL 96 13.529 5.570 1.467 753 HG11 VAL 96 HG11 VAL 96 13.627 3.177 0.710 754 HG12 VAL 96 HG12 VAL 96 14.192 3.454 2.355 755 HG13 VAL 96 HG13 VAL 96 15.356 3.204 1.052 756 HG21 VAL 96 HG21 VAL 96 15.654 6.817 1.574 757 HG22 VAL 96 HG22 VAL 96 16.535 5.299 1.405 758 HG23 VAL 96 HG23 VAL 96 15.535 5.584 2.832 759 H MET 97 H MET 97 12.054 6.251 -0.015 760 HA MET 97 HA MET 97 10.410 4.206 -0.840 761 HB2 MET 97 HB2 MET 97 8.600 5.771 -0.955 762 HB3 MET 97 HB3 MET 97 9.673 6.286 0.334 763 HG2 MET 97 HG2 MET 97 10.603 7.981 -1.069 764 HG3 MET 97 HG3 MET 97 9.595 7.479 -2.418 765 HE1 MET 97 HE1 MET 97 8.736 8.128 1.507 766 HE2 MET 97 HE2 MET 97 8.260 9.817 1.316 767 HE3 MET 97 HE3 MET 97 9.900 9.307 0.908 768 H ASP 98 H ASP 98 11.747 6.757 -2.908 769 HA ASP 98 HA ASP 98 10.360 5.941 -5.269 770 HB2 ASP 98 HB2 ASP 98 12.735 7.729 -4.726 771 HB3 ASP 98 HB3 ASP 98 12.258 7.343 -6.372 772 H ASN 99 H ASN 99 13.287 4.861 -3.735 773 HA ASN 99 HA ASN 99 14.186 3.355 -6.059 774 HB2 ASN 99 HB2 ASN 99 15.296 4.152 -3.468 775 HB3 ASN 99 HB3 ASN 99 15.672 2.486 -3.864 776 HD21 ASN 99 HD21 ASN 99 16.692 5.591 -4.132 777 HD22 ASN 99 HD22 ASN 99 17.754 5.442 -5.486 778 H ILE 100 H ILE 100 12.509 2.712 -2.978 779 HA ILE 100 HA ILE 100 12.397 -0.134 -3.300 780 HB ILE 100 HB ILE 100 10.442 1.612 -1.757 781 HG12 ILE 100 HG12 ILE 100 12.641 2.035 -0.839 782 HG13 ILE 100 HG13 ILE 100 11.733 1.070 0.289 783 HG21 ILE 100 HG21 ILE 100 9.725 -0.746 -2.232 784 HG22 ILE 100 HG22 ILE 100 9.766 -0.291 -0.532 785 HG23 ILE 100 HG23 ILE 100 11.059 -1.282 -1.213 786 HD11 ILE 100 HD11 ILE 100 13.012 -0.906 -0.415 787 HD12 ILE 100 HD12 ILE 100 14.040 0.378 0.228 788 HD13 ILE 100 HD13 ILE 100 13.947 0.110 -1.515 789 H LYS 101 H LYS 101 9.975 2.442 -3.834 790 HA LYS 101 HA LYS 101 7.982 1.123 -5.179 791 HB2 LYS 101 HB2 LYS 101 7.902 3.457 -4.425 792 HB3 LYS 101 HB3 LYS 101 9.027 3.903 -5.698 793 HG2 LYS 101 HG2 LYS 101 7.389 3.305 -7.389 794 HG3 LYS 101 HG3 LYS 101 6.276 2.765 -6.134 795 HD2 LYS 101 HD2 LYS 101 6.152 5.050 -5.256 796 HD3 LYS 101 HD3 LYS 101 7.300 5.579 -6.482 797 HE2 LYS 101 HE2 LYS 101 5.628 4.777 -8.205 798 HE3 LYS 101 HE3 LYS 101 4.473 4.632 -6.880 799 HZ1 LYS 101 HZ1 LYS 101 4.787 6.990 -6.414 800 HZ2 LYS 101 HZ2 LYS 101 4.250 6.752 -8.001 801 HZ3 LYS 101 HZ3 LYS 101 5.874 7.118 -7.704 802 H MET 102 H MET 102 10.938 2.502 -6.580 803 HA MET 102 HA MET 102 10.495 2.032 -9.283 804 HB2 MET 102 HB2 MET 102 12.352 3.336 -8.500 805 HB3 MET 102 HB3 MET 102 13.034 1.975 -7.661 806 HG2 MET 102 HG2 MET 102 12.913 1.127 -10.286 807 HG3 MET 102 HG3 MET 102 13.327 2.837 -10.398 808 HE1 MET 102 HE1 MET 102 16.070 -0.562 -9.241 809 HE2 MET 102 HE2 MET 102 14.751 -0.523 -10.411 810 HE3 MET 102 HE3 MET 102 14.398 -0.590 -8.684 811 H THR 103 H THR 103 12.173 -0.171 -6.985 812 HA THR 103 HA THR 103 12.436 -2.353 -8.731 813 HB THR 103 HB THR 103 12.099 -2.492 -5.718 814 HG1 THR 103 HG1 THR 103 14.646 -2.679 -6.576 815 HG21 THR 103 HG21 THR 103 13.461 -4.545 -5.889 816 HG22 THR 103 HG22 THR 103 13.457 -4.395 -7.646 817 HG23 THR 103 HG23 THR 103 11.949 -4.700 -6.784 818 H LEU 104 H LEU 104 9.984 -1.899 -6.156 819 HA LEU 104 HA LEU 104 8.214 -3.901 -6.563 820 HB2 LEU 104 HB2 LEU 104 7.624 -0.980 -6.023 821 HB3 LEU 104 HB3 LEU 104 6.423 -2.233 -5.860 822 HG LEU 104 HG LEU 104 8.925 -1.934 -4.205 823 HD11 LEU 104 HD11 LEU 104 6.947 -1.825 -2.438 824 HD12 LEU 104 HD12 LEU 104 6.074 -1.191 -3.834 825 HD13 LEU 104 HD13 LEU 104 7.535 -0.393 -3.265 826 HD21 LEU 104 HD21 LEU 104 6.730 -3.833 -3.546 827 HD22 LEU 104 HD22 LEU 104 8.426 -3.861 -3.058 828 HD23 LEU 104 HD23 LEU 104 7.975 -4.322 -4.697 829 H GLN 105 H GLN 105 7.920 -0.716 -8.093 830 HA GLN 105 HA GLN 105 5.875 -1.129 -9.888 831 HB2 GLN 105 HB2 GLN 105 6.939 1.046 -9.413 832 HB3 GLN 105 HB3 GLN 105 8.343 0.572 -10.341 833 HG2 GLN 105 HG2 GLN 105 6.798 2.073 -11.559 834 HG3 GLN 105 HG3 GLN 105 7.082 0.538 -12.372 835 HE21 GLN 105 HE21 GLN 105 5.305 -0.150 -13.322 836 HE22 GLN 105 HE22 GLN 105 3.704 -0.058 -12.683 837 H GLN 106 H GLN 106 9.214 -2.121 -10.261 838 HA GLN 106 HA GLN 106 8.918 -2.846 -13.048 839 HB2 GLN 106 HB2 GLN 106 11.169 -3.070 -11.052 840 HB3 GLN 106 HB3 GLN 106 11.272 -3.793 -12.647 841 HG2 GLN 106 HG2 GLN 106 10.999 -1.631 -13.683 842 HG3 GLN 106 HG3 GLN 106 10.823 -0.856 -12.123 843 HE21 GLN 106 HE21 GLN 106 12.683 0.268 -13.597 844 HE22 GLN 106 HE22 GLN 106 14.280 -0.214 -13.149 845 H ILE 107 H ILE 107 8.510 -4.339 -9.978 846 HA ILE 107 HA ILE 107 8.642 -7.065 -10.920 847 HB ILE 107 HB ILE 107 7.796 -5.851 -8.269 848 HG12 ILE 107 HG12 ILE 107 10.211 -7.554 -8.953 849 HG13 ILE 107 HG13 ILE 107 10.228 -5.809 -8.904 850 HG21 ILE 107 HG21 ILE 107 6.517 -7.908 -8.669 851 HG22 ILE 107 HG22 ILE 107 7.646 -8.069 -7.327 852 HG23 ILE 107 HG23 ILE 107 8.025 -8.797 -8.891 853 HD11 ILE 107 HD11 ILE 107 11.200 -6.906 -6.897 854 HD12 ILE 107 HD12 ILE 107 9.589 -7.512 -6.515 855 HD13 ILE 107 HD13 ILE 107 9.888 -5.776 -6.551 856 H ILE 108 H ILE 108 6.037 -4.744 -10.124 857 HA ILE 108 HA ILE 108 3.901 -6.625 -10.431 858 HB ILE 108 HB ILE 108 3.797 -3.591 -10.520 859 HG12 ILE 108 HG12 ILE 108 2.827 -5.324 -8.287 860 HG13 ILE 108 HG13 ILE 108 4.527 -4.955 -8.405 861 HG21 ILE 108 HG21 ILE 108 1.530 -5.571 -10.195 862 HG22 ILE 108 HG22 ILE 108 1.843 -4.616 -11.646 863 HG23 ILE 108 HG23 ILE 108 1.384 -3.808 -10.141 864 HD11 ILE 108 HD11 ILE 108 2.376 -2.876 -8.252 865 HD12 ILE 108 HD12 ILE 108 4.120 -2.628 -8.158 866 HD13 ILE 108 HD13 ILE 108 3.280 -3.486 -6.869 867 H SER 109 H SER 109 5.490 -4.357 -12.576 868 HA SER 109 HA SER 109 3.796 -4.628 -14.827 869 HB2 SER 109 HB2 SER 109 5.591 -3.621 -16.096 870 HB3 SER 109 HB3 SER 109 5.484 -2.820 -14.528 871 HG SER 109 HG SER 109 7.218 -4.270 -13.864 872 H ARG 110 H ARG 110 6.109 -6.782 -13.457 873 HA ARG 110 HA ARG 110 6.468 -8.441 -15.788 874 HB2 ARG 110 HB2 ARG 110 7.029 -8.907 -12.852 875 HB3 ARG 110 HB3 ARG 110 7.338 -10.118 -14.085 876 HG2 ARG 110 HG2 ARG 110 8.949 -8.660 -15.155 877 HG3 ARG 110 HG3 ARG 110 8.587 -7.380 -14.005 878 HD2 ARG 110 HD2 ARG 110 9.398 -8.793 -12.179 879 HD3 ARG 110 HD3 ARG 110 9.755 -10.078 -13.332 880 HE ARG 110 HE ARG 110 11.176 -8.023 -14.317 881 HH11 ARG 110 HH11 ARG 110 11.018 -9.355 -11.067 882 HH12 ARG 110 HH12 ARG 110 12.644 -8.900 -10.682 883 HH21 ARG 110 HH21 ARG 110 13.300 -7.443 -13.788 884 HH22 ARG 110 HH22 ARG 110 13.934 -7.820 -12.221 885 H TYR 111 H TYR 111 4.412 -8.496 -12.898 886 HA TYR 111 HA TYR 111 2.930 -10.835 -13.798 887 HB2 TYR 111 HB2 TYR 111 2.380 -9.030 -11.434 888 HB3 TYR 111 HB3 TYR 111 1.686 -10.616 -11.735 889 HD1 TYR 111 HD1 TYR 111 4.423 -8.828 -10.271 890 HD2 TYR 111 HD2 TYR 111 3.250 -12.636 -11.772 891 HE1 TYR 111 HE1 TYR 111 6.281 -9.876 -9.056 892 HE2 TYR 111 HE2 TYR 111 5.111 -13.690 -10.563 893 HH TYR 111 HH TYR 111 7.303 -13.051 -9.650 894 H LYS 112 H LYS 112 2.942 -7.686 -14.653 895 HA LYS 112 HA LYS 112 0.079 -7.272 -14.965 896 HB2 LYS 112 HB2 LYS 112 1.526 -5.413 -14.312 897 HB3 LYS 112 HB3 LYS 112 2.474 -5.614 -15.777 898 HG2 LYS 112 HG2 LYS 112 1.006 -3.741 -16.046 899 HG3 LYS 112 HG3 LYS 112 0.465 -5.036 -17.094 900 HD2 LYS 112 HD2 LYS 112 -1.307 -5.614 -15.520 901 HD3 LYS 112 HD3 LYS 112 -0.734 -4.382 -14.399 902 HE2 LYS 112 HE2 LYS 112 -2.644 -3.498 -15.532 903 HE3 LYS 112 HE3 LYS 112 -1.223 -2.666 -16.160 904 HZ1 LYS 112 HZ1 LYS 112 -1.264 -4.175 -18.070 905 HZ2 LYS 112 HZ2 LYS 112 -2.682 -3.263 -17.952 906 HZ3 LYS 112 HZ3 LYS 112 -2.681 -4.886 -17.481 907 H ASP 113 H ASP 113 2.905 -8.157 -16.809 908 HA ASP 113 HA ASP 113 1.487 -8.237 -19.344 909 HB2 ASP 113 HB2 ASP 113 4.345 -8.707 -18.513 910 HB3 ASP 113 HB3 ASP 113 3.774 -9.017 -20.140 911 H ALA 114 H ALA 114 2.164 -10.282 -16.722 912 HA ALA 114 HA ALA 114 2.377 -12.774 -18.092 913 HB1 ALA 114 HB1 ALA 114 2.274 -13.791 -15.901 914 HB2 ALA 114 HB2 ALA 114 1.725 -12.269 -15.200 915 HB3 ALA 114 HB3 ALA 114 3.351 -12.395 -15.870 916 H ASP 115 H ASP 115 -0.251 -10.796 -17.408 917 HA ASP 115 HA ASP 115 -2.155 -13.027 -17.543 918 HB2 ASP 115 HB2 ASP 115 -2.362 -11.494 -15.584 919 HB3 ASP 115 HB3 ASP 115 -2.747 -10.185 -16.690 920 H1 GLY 519 H1 GLY 519 -13.431 8.401 18.551 921 H2 GLY 519 H2 GLY 519 -13.741 10.064 18.611 922 H3 GLY 519 H3 GLY 519 -13.327 9.229 20.023 923 HA2 GLY 519 HA2 GLY 519 -11.560 9.659 17.676 924 HA3 GLY 519 HA3 GLY 519 -11.450 10.513 19.208 925 H SER 520 H SER 520 -10.793 9.361 21.087 926 HA SER 520 HA SER 520 -9.268 6.914 20.484 927 HB2 SER 520 HB2 SER 520 -7.713 8.662 20.992 928 HB3 SER 520 HB3 SER 520 -8.654 9.180 22.389 929 HG SER 520 HG SER 520 -8.130 7.168 23.371 930 HA PRO 521 HA PRO 521 -12.083 5.066 23.492 931 HB2 PRO 521 HB2 PRO 521 -11.041 2.544 23.452 932 HB3 PRO 521 HB3 PRO 521 -12.088 3.182 22.187 933 HG2 PRO 521 HG2 PRO 521 -9.189 2.921 22.209 934 HG3 PRO 521 HG3 PRO 521 -10.228 2.679 20.972 935 HD2 PRO 521 HD2 PRO 521 -8.772 4.780 21.198 936 HD3 PRO 521 HD3 PRO 521 -10.186 4.756 20.382 937 H GLY 522 H GLY 522 -8.605 5.101 23.828 938 HA2 GLY 522 HA2 GLY 522 -7.804 5.856 26.044 939 HA3 GLY 522 HA3 GLY 522 -8.903 4.676 26.741 940 H TYR 523 H TYR 523 -8.443 2.420 26.450 941 HA TYR 523 HA TYR 523 -5.560 1.904 26.187 942 HB2 TYR 523 HB2 TYR 523 -7.697 0.364 27.677 943 HB3 TYR 523 HB3 TYR 523 -6.027 -0.162 27.522 944 HD1 TYR 523 HD1 TYR 523 -8.329 2.046 29.255 945 HD2 TYR 523 HD2 TYR 523 -4.214 1.142 28.636 946 HE1 TYR 523 HE1 TYR 523 -7.745 3.349 31.258 947 HE2 TYR 523 HE2 TYR 523 -3.624 2.439 30.640 948 HH TYR 523 HH TYR 523 -5.914 3.469 32.908 949 HA PRO 524 HA PRO 524 -6.763 -0.280 22.326 950 HB2 PRO 524 HB2 PRO 524 -3.840 -0.855 22.351 951 HB3 PRO 524 HB3 PRO 524 -4.851 -0.251 21.033 952 HG2 PRO 524 HG2 PRO 524 -3.293 1.410 22.266 953 HG3 PRO 524 HG3 PRO 524 -4.820 1.893 21.949 954 HD2 PRO 524 HD2 PRO 524 -3.821 0.888 24.517 955 HD3 PRO 524 HD3 PRO 524 -4.736 2.222 24.292 956 H ASN 525 H ASN 525 -7.053 -2.414 21.790 957 HA ASN 525 HA ASN 525 -6.125 -4.412 23.750 958 HB2 ASN 525 HB2 ASN 525 -8.697 -4.384 22.154 959 HB3 ASN 525 HB3 ASN 525 -8.176 -5.709 23.188 960 HD21 ASN 525 HD21 ASN 525 -9.953 -2.899 23.022 961 HD22 ASN 525 HD22 ASN 525 -10.167 -2.614 24.711 962 H GLY 526 H GLY 526 -6.677 -3.724 20.338 963 HA2 GLY 526 HA2 GLY 526 -4.591 -4.951 19.197 964 HA3 GLY 526 HA3 GLY 526 -5.657 -6.315 19.497 965 H LEU 527 H LEU 527 -6.003 -6.796 17.348 966 HA LEU 527 HA LEU 527 -7.544 -4.803 15.843 967 HB2 LEU 527 HB2 LEU 527 -6.296 -6.909 14.234 968 HB3 LEU 527 HB3 LEU 527 -6.469 -5.212 13.896 969 HG LEU 527 HG LEU 527 -4.429 -5.770 15.923 970 HD11 LEU 527 HD11 LEU 527 -4.000 -6.888 13.172 971 HD12 LEU 527 HD12 LEU 527 -4.154 -7.812 14.664 972 HD13 LEU 527 HD13 LEU 527 -2.779 -6.734 14.435 973 HD21 LEU 527 HD21 LEU 527 -3.049 -4.355 14.409 974 HD22 LEU 527 HD22 LEU 527 -4.555 -3.602 14.940 975 HD23 LEU 527 HD23 LEU 527 -4.434 -4.273 13.315 976 H LEU 528 H LEU 528 -8.478 -6.862 17.732 977 HA LEU 528 HA LEU 528 -9.854 -8.833 16.125 978 HB2 LEU 528 HB2 LEU 528 -9.905 -8.176 19.076 979 HB3 LEU 528 HB3 LEU 528 -10.883 -9.441 18.366 980 HG LEU 528 HG LEU 528 -7.857 -9.377 18.386 981 HD11 LEU 528 HD11 LEU 528 -9.786 -11.047 19.995 982 HD12 LEU 528 HD12 LEU 528 -8.737 -9.774 20.617 983 HD13 LEU 528 HD13 LEU 528 -8.035 -11.251 19.960 984 HD21 LEU 528 HD21 LEU 528 -9.792 -11.478 17.428 985 HD22 LEU 528 HD22 LEU 528 -8.049 -11.692 17.575 986 HD23 LEU 528 HD23 LEU 528 -8.700 -10.520 16.429 987 H SER 529 H SER 529 -10.349 -5.705 16.242 988 HA SER 529 HA SER 529 -13.277 -5.911 16.104 989 HB2 SER 529 HB2 SER 529 -13.479 -3.687 17.215 990 HB3 SER 529 HB3 SER 529 -12.830 -4.933 18.276 991 HG SER 529 HG SER 529 -11.028 -3.369 16.821 992 H GLY 530 H GLY 530 -10.333 -4.192 15.195 993 HA2 GLY 530 HA2 GLY 530 -10.388 -3.813 12.654 994 HA3 GLY 530 HA3 GLY 530 -11.790 -2.823 13.031 995 H ASP 531 H ASP 531 -8.335 -3.071 13.111 996 HA ASP 531 HA ASP 531 -8.162 -0.236 13.892 997 HB2 ASP 531 HB2 ASP 531 -7.214 -1.910 15.569 998 HB3 ASP 531 HB3 ASP 531 -5.986 -2.282 14.366 999 H GLU 532 H GLU 532 -7.725 -2.486 11.499 1000 HA GLU 532 HA GLU 532 -5.656 -0.999 10.080 1001 HB2 GLU 532 HB2 GLU 532 -6.872 -3.714 9.646 1002 HB3 GLU 532 HB3 GLU 532 -5.715 -2.987 8.568 1003 HG2 GLU 532 HG2 GLU 532 -4.068 -2.953 10.355 1004 HG3 GLU 532 HG3 GLU 532 -5.248 -3.642 11.462 1005 H ASP 533 H ASP 533 -8.758 -0.691 10.410 1006 HA ASP 533 HA ASP 533 -9.558 -0.465 7.609 1007 HB2 ASP 533 HB2 ASP 533 -11.091 -0.307 10.209 1008 HB3 ASP 533 HB3 ASP 533 -11.827 0.062 8.655 1009 H PHE 534 H PHE 534 -7.957 1.457 9.716 1010 HA PHE 534 HA PHE 534 -9.315 3.965 9.138 1011 HB2 PHE 534 HB2 PHE 534 -6.842 3.325 10.757 1012 HB3 PHE 534 HB3 PHE 534 -7.451 4.957 10.522 1013 HD1 PHE 534 HD1 PHE 534 -7.601 2.039 12.531 1014 HD2 PHE 534 HD2 PHE 534 -9.881 5.407 11.271 1015 HE1 PHE 534 HE1 PHE 534 -9.083 1.763 14.479 1016 HE2 PHE 534 HE2 PHE 534 -11.366 5.134 13.213 1017 HZ PHE 534 HZ PHE 534 -10.966 3.312 14.820 1018 H SER 535 H SER 535 -7.217 2.062 7.455 1019 HA SER 535 HA SER 535 -5.625 4.169 6.285 1020 HB2 SER 535 HB2 SER 535 -4.624 2.423 4.929 1021 HB3 SER 535 HB3 SER 535 -4.671 1.908 6.609 1022 HG SER 535 HG SER 535 -5.822 0.270 5.992 1023 H SER 536 H SER 536 -8.750 3.064 5.868 1024 HA SER 536 HA SER 536 -8.980 3.549 3.025 1025 HB2 SER 536 HB2 SER 536 -11.381 3.159 3.363 1026 HB3 SER 536 HB3 SER 536 -10.432 1.890 4.131 1027 HG SER 536 HG SER 536 -12.008 3.873 5.272 1028 H ILE 537 H ILE 537 -9.610 5.267 6.018 1029 HA ILE 537 HA ILE 537 -10.538 7.643 4.635 1030 HB ILE 537 HB ILE 537 -10.725 8.658 6.871 1031 HG12 ILE 537 HG12 ILE 537 -9.707 6.037 8.002 1032 HG13 ILE 537 HG13 ILE 537 -8.732 7.490 7.861 1033 HG21 ILE 537 HG21 ILE 537 -12.454 7.225 7.860 1034 HG22 ILE 537 HG22 ILE 537 -11.960 5.905 6.800 1035 HG23 ILE 537 HG23 ILE 537 -12.643 7.380 6.111 1036 HD11 ILE 537 HD11 ILE 537 -10.424 8.621 9.369 1037 HD12 ILE 537 HD12 ILE 537 -9.442 7.358 10.113 1038 HD13 ILE 537 HD13 ILE 537 -11.109 7.020 9.649 1039 H ALA 538 H ALA 538 -7.571 6.301 5.785 1040 HA ALA 538 HA ALA 538 -6.141 8.797 5.446 1041 HB1 ALA 538 HB1 ALA 538 -5.566 7.007 7.180 1042 HB2 ALA 538 HB2 ALA 538 -4.236 7.718 6.271 1043 HB3 ALA 538 HB3 ALA 538 -4.845 6.124 5.834 1044 H ASP 539 H ASP 539 -7.501 6.755 3.414 1045 HA ASP 539 HA ASP 539 -5.480 6.918 1.298 1046 HB2 ASP 539 HB2 ASP 539 -6.582 4.751 1.524 1047 HB3 ASP 539 HB3 ASP 539 -8.163 5.512 1.385 1048 H MET 540 H MET 540 -8.576 8.138 2.330 1049 HA MET 540 HA MET 540 -9.194 9.731 0.043 1050 HB2 MET 540 HB2 MET 540 -10.073 9.817 2.917 1051 HB3 MET 540 HB3 MET 540 -10.730 10.878 1.693 1052 HG2 MET 540 HG2 MET 540 -11.558 8.948 0.442 1053 HG3 MET 540 HG3 MET 540 -10.883 7.868 1.658 1054 HE1 MET 540 HE1 MET 540 -12.962 11.283 1.941 1055 HE2 MET 540 HE2 MET 540 -14.568 10.583 2.145 1056 HE3 MET 540 HE3 MET 540 -13.664 10.304 0.656 1057 H ASP 541 H ASP 541 -7.040 9.999 2.663 1058 HA ASP 541 HA ASP 541 -6.625 12.844 2.523 1059 HB2 ASP 541 HB2 ASP 541 -5.323 10.602 4.038 1060 HB3 ASP 541 HB3 ASP 541 -4.752 12.254 4.135 1061 H PHE 542 H PHE 542 -5.189 9.977 1.075 1062 HA PHE 542 HA PHE 542 -2.699 11.316 0.469 1063 HB2 PHE 542 HB2 PHE 542 -2.814 8.868 1.011 1064 HB3 PHE 542 HB3 PHE 542 -3.545 8.610 -0.571 1065 HD1 PHE 542 HD1 PHE 542 -1.020 11.129 -0.143 1066 HD2 PHE 542 HD2 PHE 542 -1.682 7.107 -1.241 1067 HE1 PHE 542 HE1 PHE 542 1.247 11.047 -1.112 1068 HE2 PHE 542 HE2 PHE 542 0.567 6.987 -2.203 1069 HZ PHE 542 HZ PHE 542 1.972 8.769 -2.249 1070 H SER 543 H SER 543 -5.576 10.298 -1.335 1071 HA SER 543 HA SER 543 -4.495 10.566 -3.926 1072 HB2 SER 543 HB2 SER 543 -6.773 10.341 -4.726 1073 HB3 SER 543 HB3 SER 543 -6.517 9.248 -3.370 1074 HG SER 543 HG SER 543 -8.505 10.420 -3.242 1075 H ALA 544 H ALA 544 -6.044 12.947 -1.850 1076 HA ALA 544 HA ALA 544 -6.153 14.961 -3.942 1077 HB1 ALA 544 HB1 ALA 544 -6.671 15.217 -0.979 1078 HB2 ALA 544 HB2 ALA 544 -7.889 14.900 -2.216 1079 HB3 ALA 544 HB3 ALA 544 -7.023 16.436 -2.205 1080 H LEU 545 H LEU 545 -4.045 13.974 -1.387 1081 HA LEU 545 HA LEU 545 -2.326 16.309 -1.492 1082 HB2 LEU 545 HB2 LEU 545 -2.313 13.726 0.026 1083 HB3 LEU 545 HB3 LEU 545 -0.973 14.838 0.101 1084 HG LEU 545 HG LEU 545 -3.777 15.322 1.079 1085 HD11 LEU 545 HD11 LEU 545 -2.709 15.499 3.294 1086 HD12 LEU 545 HD12 LEU 545 -1.187 15.003 2.563 1087 HD13 LEU 545 HD13 LEU 545 -2.565 13.897 2.579 1088 HD21 LEU 545 HD21 LEU 545 -3.050 17.463 1.964 1089 HD22 LEU 545 HD22 LEU 545 -2.906 17.419 0.207 1090 HD23 LEU 545 HD23 LEU 545 -1.469 17.239 1.216 1091 H LEU 546 H LEU 546 -2.719 13.499 -3.289 1092 HA LEU 546 HA LEU 546 0.108 13.208 -3.981 1093 HB2 LEU 546 HB2 LEU 546 -1.018 11.199 -3.273 1094 HB3 LEU 546 HB3 LEU 546 -2.298 11.459 -4.413 1095 HG LEU 546 HG LEU 546 -0.797 10.919 -6.256 1096 HD11 LEU 546 HD11 LEU 546 1.323 11.674 -5.249 1097 HD12 LEU 546 HD12 LEU 546 1.426 10.010 -5.824 1098 HD13 LEU 546 HD13 LEU 546 1.235 10.338 -4.104 1099 HD21 LEU 546 HD21 LEU 546 -0.556 8.556 -5.739 1100 HD22 LEU 546 HD22 LEU 546 -2.103 9.178 -5.162 1101 HD23 LEU 546 HD23 LEU 546 -0.778 8.905 -4.020 1102 H SER 547 H SER 547 -3.017 13.974 -5.340 1103 HA SER 547 HA SER 547 -1.762 14.643 -7.912 1104 HB2 SER 547 HB2 SER 547 -3.689 13.107 -8.066 1105 HB3 SER 547 HB3 SER 547 -4.703 14.299 -7.254 1106 HG SER 547 HG SER 547 -3.396 15.337 -9.405 1107 H GLN 548 H GLN 548 -0.926 16.631 -7.601 1108 HA GLN 548 HA GLN 548 -2.690 18.735 -6.536 1109 HB2 GLN 548 HB2 GLN 548 0.334 18.562 -6.480 1110 HB3 GLN 548 HB3 GLN 548 -0.586 19.962 -5.955 1111 HG2 GLN 548 HG2 GLN 548 -1.657 18.573 -4.217 1112 HG3 GLN 548 HG3 GLN 548 -0.666 17.210 -4.735 1113 HE21 GLN 548 HE21 GLN 548 1.108 16.887 -3.613 1114 HE22 GLN 548 HE22 GLN 548 1.976 18.076 -2.709 1115 H ILE 549 H ILE 549 -3.572 18.857 -8.701 1116 HA ILE 549 HA ILE 549 -1.872 20.400 -10.560 1117 HB ILE 549 HB ILE 549 -4.239 18.638 -11.272 1118 HG12 ILE 549 HG12 ILE 549 -1.336 18.146 -12.003 1119 HG13 ILE 549 HG13 ILE 549 -2.115 17.399 -10.620 1120 HG21 ILE 549 HG21 ILE 549 -2.395 20.171 -13.103 1121 HG22 ILE 549 HG22 ILE 549 -4.094 20.524 -12.788 1122 HG23 ILE 549 HG23 ILE 549 -3.642 19.037 -13.621 1123 HD11 ILE 549 HD11 ILE 549 -3.693 16.276 -12.158 1124 HD12 ILE 549 HD12 ILE 549 -2.011 15.842 -12.457 1125 HD13 ILE 549 HD13 ILE 549 -2.829 16.985 -13.522 1126 H SER 550 H SER 550 -2.433 22.454 -10.794 1127 HA SER 550 HA SER 550 -5.232 23.251 -10.321 1128 HB2 SER 550 HB2 SER 550 -4.385 25.401 -9.419 1129 HB3 SER 550 HB3 SER 550 -3.854 24.021 -8.458 1130 HG SER 550 HG SER 550 -1.900 24.666 -8.821 1131 H SER 551 H SER 551 -2.222 23.970 -12.051 1132 HA SER 551 HA SER 551 -3.790 25.440 -14.063 1133 HB2 SER 551 HB2 SER 551 -2.198 26.936 -13.035 1134 HB3 SER 551 HB3 SER 551 -0.889 25.779 -13.260 1135 HG SER 551 HG SER 551 -0.622 27.047 -14.967 Start of MODEL 12 1 H2 PRO 1 H2 PRO 1 18.835 3.363 -6.152 2 H3 PRO 1 H1 PRO 1 20.142 2.476 -5.741 3 HA PRO 1 HA PRO 1 17.613 1.689 -6.619 4 HB2 PRO 1 HB2 PRO 1 19.820 -0.045 -7.681 5 HB3 PRO 1 HB3 PRO 1 18.137 0.102 -8.231 6 HG2 PRO 1 HG2 PRO 1 20.052 1.371 -9.492 7 HG3 PRO 1 HG3 PRO 1 18.598 2.086 -9.289 8 HD2 PRO 1 HD2 PRO 1 21.052 2.665 -7.810 9 HD3 PRO 1 HD3 PRO 1 19.869 3.726 -8.186 10 H SER 2 H SER 2 17.031 0.903 -4.691 11 HA SER 2 HA SER 2 18.749 -1.076 -3.388 12 HB2 SER 2 HB2 SER 2 19.102 1.135 -2.272 13 HB3 SER 2 HB3 SER 2 17.383 1.170 -1.879 14 HG SER 2 HG SER 2 19.432 -0.363 -0.797 15 H HIS 3 H HIS 3 17.707 -2.780 -2.593 16 HA HIS 3 HA HIS 3 14.813 -2.996 -2.898 17 HB2 HIS 3 HB2 HIS 3 16.906 -5.019 -2.098 18 HB3 HIS 3 HB3 HIS 3 15.226 -5.387 -2.325 19 HD1 HIS 3 HD1 HIS 3 16.916 -7.023 -4.030 20 HD2 HIS 3 HD2 HIS 3 15.837 -3.174 -5.174 21 HE1 HIS 3 HE1 HIS 3 17.206 -6.959 -6.526 22 HE2 HIS 3 HE2 HIS 3 16.619 -4.601 -7.187 23 H SER 4 H SER 4 16.815 -1.881 -0.528 24 HA SER 4 HA SER 4 14.868 -2.398 1.577 25 HB2 SER 4 HB2 SER 4 16.488 -3.225 3.171 26 HB3 SER 4 HB3 SER 4 16.524 -4.259 1.744 27 HG SER 4 HG SER 4 18.280 -2.208 1.528 28 H GLY 5 H GLY 5 14.940 -0.963 3.303 29 HA2 GLY 5 HA2 GLY 5 16.913 1.143 3.407 30 HA3 GLY 5 HA3 GLY 5 15.330 1.668 2.863 31 H ALA 6 H ALA 6 14.121 2.504 4.397 32 HA ALA 6 HA ALA 6 13.860 1.138 6.959 33 HB1 ALA 6 HB1 ALA 6 14.114 3.182 8.263 34 HB2 ALA 6 HB2 ALA 6 14.537 4.076 6.797 35 HB3 ALA 6 HB3 ALA 6 15.596 2.793 7.389 36 H ALA 7 H ALA 7 11.751 1.046 7.550 37 HA ALA 7 HA ALA 7 9.862 3.044 6.542 38 HB1 ALA 7 HB1 ALA 7 9.609 0.098 5.996 39 HB2 ALA 7 HB2 ALA 7 9.850 1.379 4.809 40 HB3 ALA 7 HB3 ALA 7 8.340 1.282 5.713 41 H ILE 8 H ILE 8 7.850 3.115 7.627 42 HA ILE 8 HA ILE 8 7.715 1.644 10.187 43 HB ILE 8 HB ILE 8 6.475 4.340 9.542 44 HG12 ILE 8 HG12 ILE 8 8.798 3.744 11.381 45 HG13 ILE 8 HG13 ILE 8 8.969 4.368 9.756 46 HG21 ILE 8 HG21 ILE 8 5.143 3.096 11.169 47 HG22 ILE 8 HG22 ILE 8 5.936 4.471 11.934 48 HG23 ILE 8 HG23 ILE 8 6.575 2.844 12.167 49 HD11 ILE 8 HD11 ILE 8 9.199 6.090 11.491 50 HD12 ILE 8 HD12 ILE 8 7.540 5.770 12.002 51 HD13 ILE 8 HD13 ILE 8 7.859 6.413 10.391 52 H PHE 9 H PHE 9 5.856 0.562 10.698 53 HA PHE 9 HA PHE 9 3.526 0.718 8.944 54 HB2 PHE 9 HB2 PHE 9 5.011 -1.034 7.986 55 HB3 PHE 9 HB3 PHE 9 4.954 -1.900 9.508 56 HD1 PHE 9 HD1 PHE 9 2.944 -0.807 6.606 57 HD2 PHE 9 HD2 PHE 9 3.146 -3.357 10.011 58 HE1 PHE 9 HE1 PHE 9 0.947 -2.007 5.821 59 HE2 PHE 9 HE2 PHE 9 1.157 -4.567 9.225 60 HZ PHE 9 HZ PHE 9 0.077 -3.932 7.124 61 H GLU 10 H GLU 10 1.855 0.974 10.221 62 HA GLU 10 HA GLU 10 0.410 0.949 11.965 63 HB2 GLU 10 HB2 GLU 10 1.729 -1.697 12.563 64 HB3 GLU 10 HB3 GLU 10 0.293 -1.109 13.386 65 HG2 GLU 10 HG2 GLU 10 -0.941 -1.110 11.317 66 HG3 GLU 10 HG3 GLU 10 0.502 -1.579 10.420 67 H LYS 11 H LYS 11 2.649 2.468 12.291 68 HA LYS 11 HA LYS 11 3.537 3.900 13.802 69 HB2 LYS 11 HB2 LYS 11 1.856 2.436 15.808 70 HB3 LYS 11 HB3 LYS 11 2.829 3.851 16.179 71 HG2 LYS 11 HG2 LYS 11 1.558 5.154 14.535 72 HG3 LYS 11 HG3 LYS 11 0.571 3.732 14.186 73 HD2 LYS 11 HD2 LYS 11 -0.161 3.688 16.540 74 HD3 LYS 11 HD3 LYS 11 0.817 5.125 16.827 75 HE2 LYS 11 HE2 LYS 11 -0.551 6.392 15.243 76 HE3 LYS 11 HE3 LYS 11 -1.529 4.957 14.944 77 HZ1 LYS 11 HZ1 LYS 11 -1.277 6.363 17.551 78 HZ2 LYS 11 HZ2 LYS 11 -2.223 4.992 17.260 79 HZ3 LYS 11 HZ3 LYS 11 -2.603 6.457 16.504 80 H VAL 12 H VAL 12 4.160 0.598 13.945 81 HA VAL 12 HA VAL 12 6.424 0.920 15.764 82 HB VAL 12 HB VAL 12 5.406 -1.567 14.360 83 HG11 VAL 12 HG11 VAL 12 7.720 -1.898 14.623 84 HG12 VAL 12 HG12 VAL 12 6.918 -2.807 15.903 85 HG13 VAL 12 HG13 VAL 12 7.691 -1.265 16.267 86 HG21 VAL 12 HG21 VAL 12 3.885 -0.869 16.117 87 HG22 VAL 12 HG22 VAL 12 5.219 -0.805 17.269 88 HG23 VAL 12 HG23 VAL 12 4.728 -2.352 16.580 89 H SER 13 H SER 13 8.327 1.553 15.044 90 HA SER 13 HA SER 13 8.753 1.856 12.211 91 HB2 SER 13 HB2 SER 13 9.428 3.717 13.542 92 HB3 SER 13 HB3 SER 13 10.372 2.688 14.618 93 HG SER 13 HG SER 13 11.129 2.514 11.989 94 H GLY 14 H GLY 14 10.225 0.894 10.932 95 HA2 GLY 14 HA2 GLY 14 12.016 -1.124 12.001 96 HA3 GLY 14 HA3 GLY 14 10.673 -1.740 11.057 97 H ILE 15 H ILE 15 12.254 -2.627 9.684 98 HA ILE 15 HA ILE 15 13.325 -0.701 7.732 99 HB ILE 15 HB ILE 15 14.638 -3.200 8.823 100 HG12 ILE 15 HG12 ILE 15 15.774 -0.397 8.742 101 HG13 ILE 15 HG13 ILE 15 14.896 -1.051 10.108 102 HG21 ILE 15 HG21 ILE 15 15.538 -1.596 6.436 103 HG22 ILE 15 HG22 ILE 15 15.048 -3.292 6.469 104 HG23 ILE 15 HG23 ILE 15 16.534 -2.787 7.275 105 HD11 ILE 15 HD11 ILE 15 17.216 -1.155 10.591 106 HD12 ILE 15 HD12 ILE 15 17.560 -1.961 9.063 107 HD13 ILE 15 HD13 ILE 15 16.652 -2.806 10.319 108 H ILE 16 H ILE 16 12.952 -1.177 5.596 109 HA ILE 16 HA ILE 16 11.170 -3.447 5.079 110 HB ILE 16 HB ILE 16 11.068 -0.707 4.344 111 HG12 ILE 16 HG12 ILE 16 9.362 -3.086 4.331 112 HG13 ILE 16 HG13 ILE 16 9.000 -1.444 4.828 113 HG21 ILE 16 HG21 ILE 16 10.975 -0.518 2.044 114 HG22 ILE 16 HG22 ILE 16 10.779 -2.259 1.802 115 HG23 ILE 16 HG23 ILE 16 12.358 -1.602 2.261 116 HD11 ILE 16 HD11 ILE 16 8.726 -0.869 2.399 117 HD12 ILE 16 HD12 ILE 16 7.527 -1.974 3.056 118 HD13 ILE 16 HD13 ILE 16 8.840 -2.596 2.053 119 H ALA 17 H ALA 17 11.609 -5.001 3.578 120 HA ALA 17 HA ALA 17 14.013 -4.741 1.907 121 HB1 ALA 17 HB1 ALA 17 14.717 -7.019 2.452 122 HB2 ALA 17 HB2 ALA 17 13.386 -7.163 3.599 123 HB3 ALA 17 HB3 ALA 17 14.681 -6.002 3.893 124 H ILE 18 H ILE 18 13.933 -5.824 -0.076 125 HA ILE 18 HA ILE 18 11.287 -6.892 -0.816 126 HB ILE 18 HB ILE 18 13.476 -5.721 -2.539 127 HG12 ILE 18 HG12 ILE 18 10.580 -4.952 -2.307 128 HG13 ILE 18 HG13 ILE 18 11.822 -4.227 -1.316 129 HG21 ILE 18 HG21 ILE 18 12.589 -7.713 -3.652 130 HG22 ILE 18 HG22 ILE 18 12.182 -6.229 -4.510 131 HG23 ILE 18 HG23 ILE 18 10.960 -7.045 -3.530 132 HD11 ILE 18 HD11 ILE 18 11.416 -3.996 -4.282 133 HD12 ILE 18 HD12 ILE 18 12.912 -3.503 -3.479 134 HD13 ILE 18 HD13 ILE 18 11.388 -2.717 -3.062 135 H ASN 19 H ASN 19 11.030 -8.919 -1.337 136 HA ASN 19 HA ASN 19 13.296 -10.760 -1.410 137 HB2 ASN 19 HB2 ASN 19 10.871 -10.859 -0.072 138 HB3 ASN 19 HB3 ASN 19 10.595 -11.903 -1.455 139 HD21 ASN 19 HD21 ASN 19 10.379 -13.295 0.606 140 HD22 ASN 19 HD22 ASN 19 11.794 -14.183 1.043 141 H GLU 20 H GLU 20 14.079 -10.953 -3.413 142 HA GLU 20 HA GLU 20 12.235 -11.849 -5.526 143 HB2 GLU 20 HB2 GLU 20 14.778 -10.252 -5.913 144 HB3 GLU 20 HB3 GLU 20 13.801 -10.911 -7.209 145 HG2 GLU 20 HG2 GLU 20 11.948 -9.448 -6.496 146 HG3 GLU 20 HG3 GLU 20 12.984 -8.780 -5.244 147 H ASP 21 H ASP 21 13.530 -13.207 -7.235 148 HA ASP 21 HA ASP 21 14.616 -15.160 -7.728 149 HB2 ASP 21 HB2 ASP 21 16.259 -14.633 -5.237 150 HB3 ASP 21 HB3 ASP 21 16.586 -15.889 -6.415 151 H VAL 22 H VAL 22 12.629 -14.617 -5.307 152 HA VAL 22 HA VAL 22 12.501 -17.340 -4.240 153 HB VAL 22 HB VAL 22 10.956 -16.387 -2.534 154 HG11 VAL 22 HG11 VAL 22 12.675 -15.080 -1.311 155 HG12 VAL 22 HG12 VAL 22 13.647 -15.047 -2.786 156 HG13 VAL 22 HG13 VAL 22 13.290 -16.585 -1.997 157 HG21 VAL 22 HG21 VAL 22 10.041 -14.474 -3.795 158 HG22 VAL 22 HG22 VAL 22 11.621 -13.692 -3.754 159 HG23 VAL 22 HG23 VAL 22 10.730 -13.955 -2.257 160 H SER 23 H SER 23 9.904 -17.716 -3.630 161 HA SER 23 HA SER 23 8.497 -17.960 -6.134 162 HB2 SER 23 HB2 SER 23 6.735 -18.953 -4.799 163 HB3 SER 23 HB3 SER 23 8.264 -19.519 -4.141 164 HG SER 23 HG SER 23 6.318 -18.114 -2.933 165 HA PRO 24 HA PRO 24 7.032 -14.578 -7.464 166 HB2 PRO 24 HB2 PRO 24 4.457 -14.124 -6.000 167 HB3 PRO 24 HB3 PRO 24 4.807 -13.956 -7.724 168 HG2 PRO 24 HG2 PRO 24 3.609 -16.095 -6.841 169 HG3 PRO 24 HG3 PRO 24 4.737 -16.233 -8.013 170 HD2 PRO 24 HD2 PRO 24 4.937 -17.005 -5.300 171 HD3 PRO 24 HD3 PRO 24 5.691 -17.657 -6.594 172 H ALA 25 H ALA 25 7.886 -12.656 -7.182 173 HA ALA 25 HA ALA 25 9.207 -12.106 -4.850 174 HB1 ALA 25 HB1 ALA 25 9.976 -11.307 -7.003 175 HB2 ALA 25 HB2 ALA 25 9.862 -9.975 -5.852 176 HB3 ALA 25 HB3 ALA 25 8.619 -10.184 -7.085 177 H GLU 26 H GLU 26 9.124 -10.748 -3.240 178 HA GLU 26 HA GLU 26 6.471 -9.695 -2.635 179 HB2 GLU 26 HB2 GLU 26 7.840 -10.662 -0.285 180 HB3 GLU 26 HB3 GLU 26 6.260 -11.058 -0.872 181 HG2 GLU 26 HG2 GLU 26 7.203 -12.795 -2.311 182 HG3 GLU 26 HG3 GLU 26 8.812 -12.388 -1.736 183 H LEU 27 H LEU 27 6.504 -8.298 -0.634 184 HA LEU 27 HA LEU 27 8.994 -6.770 -0.312 185 HB2 LEU 27 HB2 LEU 27 7.459 -5.483 -1.651 186 HB3 LEU 27 HB3 LEU 27 6.172 -5.736 -0.538 187 HG LEU 27 HG LEU 27 7.550 -4.334 1.090 188 HD11 LEU 27 HD11 LEU 27 9.657 -4.380 -0.128 189 HD12 LEU 27 HD12 LEU 27 9.096 -2.749 0.234 190 HD13 LEU 27 HD13 LEU 27 8.918 -3.400 -1.396 191 HD21 LEU 27 HD21 LEU 27 6.273 -3.112 -1.324 192 HD22 LEU 27 HD22 LEU 27 6.770 -2.185 0.092 193 HD23 LEU 27 HD23 LEU 27 5.544 -3.436 0.246 194 H THR 28 H THR 28 9.739 -7.169 1.653 195 HA THR 28 HA THR 28 7.831 -8.061 3.709 196 HB THR 28 HB THR 28 10.743 -8.820 3.342 197 HG1 THR 28 HG1 THR 28 9.681 -10.089 1.953 198 HG21 THR 28 HG21 THR 28 8.740 -9.802 5.389 199 HG22 THR 28 HG22 THR 28 10.136 -8.773 5.723 200 HG23 THR 28 HG23 THR 28 10.374 -10.426 5.159 201 H TRP 29 H TRP 29 7.461 -6.560 5.187 202 HA TRP 29 HA TRP 29 9.561 -4.713 6.007 203 HB2 TRP 29 HB2 TRP 29 7.358 -3.718 5.655 204 HB3 TRP 29 HB3 TRP 29 6.632 -4.852 6.780 205 HD1 TRP 29 HD1 TRP 29 8.660 -1.632 6.679 206 HE1 TRP 29 HE1 TRP 29 8.777 -0.613 9.036 207 HE3 TRP 29 HE3 TRP 29 6.548 -5.463 9.334 208 HZ2 TRP 29 HZ2 TRP 29 8.053 -1.328 11.678 209 HZ3 TRP 29 HZ3 TRP 29 6.306 -5.209 11.768 210 HH2 TRP 29 HH2 TRP 29 7.049 -3.189 12.909 211 H ARG 30 H ARG 30 10.809 -5.098 7.674 212 HA ARG 30 HA ARG 30 9.904 -6.809 9.853 213 HB2 ARG 30 HB2 ARG 30 12.657 -5.930 9.030 214 HB3 ARG 30 HB3 ARG 30 12.311 -6.970 10.399 215 HG2 ARG 30 HG2 ARG 30 11.360 -8.597 8.891 216 HG3 ARG 30 HG3 ARG 30 11.703 -7.559 7.551 217 HD2 ARG 30 HD2 ARG 30 14.075 -7.661 8.056 218 HD3 ARG 30 HD3 ARG 30 13.723 -8.784 9.363 219 HE ARG 30 HE ARG 30 13.685 -9.338 6.514 220 HH11 ARG 30 HH11 ARG 30 12.899 -10.522 9.728 221 HH12 ARG 30 HH12 ARG 30 12.807 -12.175 9.221 222 HH21 ARG 30 HH21 ARG 30 13.561 -11.508 5.875 223 HH22 ARG 30 HH22 ARG 30 13.184 -12.732 7.044 224 H SER 31 H SER 31 10.509 -6.171 12.008 225 HA SER 31 HA SER 31 10.185 -3.361 12.539 226 HB2 SER 31 HB2 SER 31 10.242 -3.996 14.891 227 HB3 SER 31 HB3 SER 31 9.263 -5.159 14.006 228 HG SER 31 HG SER 31 11.753 -5.493 15.208 229 H THR 32 H THR 32 11.910 -2.333 14.210 230 HA THR 32 HA THR 32 14.291 -2.010 12.775 231 HB THR 32 HB THR 32 14.039 -1.445 15.725 232 HG1 THR 32 HG1 THR 32 12.336 -0.388 14.773 233 HG21 THR 32 HG21 THR 32 16.308 -1.302 14.715 234 HG22 THR 32 HG22 THR 32 15.715 0.248 15.317 235 HG23 THR 32 HG23 THR 32 15.693 -0.092 13.587 236 H ASP 33 H ASP 33 13.553 -4.294 15.332 237 HA ASP 33 HA ASP 33 16.217 -5.495 15.055 238 HB2 ASP 33 HB2 ASP 33 13.943 -6.104 16.962 239 HB3 ASP 33 HB3 ASP 33 15.468 -6.981 16.929 240 H GLY 34 H GLY 34 12.874 -5.903 14.215 241 HA2 GLY 34 HA2 GLY 34 12.109 -7.118 12.360 242 HA3 GLY 34 HA3 GLY 34 13.521 -8.149 12.441 243 H ASP 35 H ASP 35 11.912 -7.572 15.425 244 HA ASP 35 HA ASP 35 11.061 -10.256 15.785 245 HB2 ASP 35 HB2 ASP 35 10.582 -7.679 17.269 246 HB3 ASP 35 HB3 ASP 35 9.731 -9.143 17.737 247 H LYS 36 H LYS 36 9.524 -7.396 14.504 248 HA LYS 36 HA LYS 36 7.044 -8.906 13.989 249 HB2 LYS 36 HB2 LYS 36 7.587 -5.926 13.989 250 HB3 LYS 36 HB3 LYS 36 6.078 -6.647 13.472 251 HG2 LYS 36 HG2 LYS 36 5.747 -7.546 15.721 252 HG3 LYS 36 HG3 LYS 36 7.268 -6.802 16.229 253 HD2 LYS 36 HD2 LYS 36 6.390 -4.605 15.623 254 HD3 LYS 36 HD3 LYS 36 4.861 -5.349 15.142 255 HE2 LYS 36 HE2 LYS 36 4.736 -6.255 17.511 256 HE3 LYS 36 HE3 LYS 36 6.044 -5.143 17.897 257 HZ1 LYS 36 HZ1 LYS 36 3.379 -4.376 16.829 258 HZ2 LYS 36 HZ2 LYS 36 4.639 -3.304 17.179 259 HZ3 LYS 36 HZ3 LYS 36 3.902 -4.177 18.426 260 H VAL 37 H VAL 37 6.444 -9.294 11.884 261 HA VAL 37 HA VAL 37 7.980 -8.079 9.717 262 HB VAL 37 HB VAL 37 7.901 -11.086 10.070 263 HG11 VAL 37 HG11 VAL 37 9.466 -11.214 8.201 264 HG12 VAL 37 HG12 VAL 37 9.342 -9.467 7.978 265 HG13 VAL 37 HG13 VAL 37 7.930 -10.492 7.720 266 HG21 VAL 37 HG21 VAL 37 9.372 -10.029 11.706 267 HG22 VAL 37 HG22 VAL 37 10.263 -9.249 10.398 268 HG23 VAL 37 HG23 VAL 37 10.268 -11.008 10.546 269 H HIS 38 H HIS 38 6.780 -7.691 7.964 270 HA HIS 38 HA HIS 38 4.261 -9.170 7.534 271 HB2 HIS 38 HB2 HIS 38 4.770 -6.205 7.139 272 HB3 HIS 38 HB3 HIS 38 3.317 -7.039 6.607 273 HD1 HIS 38 HD1 HIS 38 1.573 -7.642 8.397 274 HD2 HIS 38 HD2 HIS 38 4.949 -5.760 9.920 275 HE1 HIS 38 HE1 HIS 38 0.983 -7.015 10.758 276 HE2 HIS 38 HE2 HIS 38 3.030 -5.848 11.653 277 H THR 39 H THR 39 3.684 -9.518 5.301 278 HA THR 39 HA THR 39 5.899 -9.094 3.403 279 HB THR 39 HB THR 39 4.385 -11.681 3.821 280 HG1 THR 39 HG1 THR 39 6.260 -12.410 4.668 281 HG21 THR 39 HG21 THR 39 6.531 -11.032 1.789 282 HG22 THR 39 HG22 THR 39 4.831 -11.338 1.431 283 HG23 THR 39 HG23 THR 39 5.842 -12.629 2.082 284 H VAL 40 H VAL 40 5.324 -8.168 1.564 285 HA VAL 40 HA VAL 40 2.527 -8.344 0.625 286 HB VAL 40 HB VAL 40 4.669 -6.268 0.122 287 HG11 VAL 40 HG11 VAL 40 3.259 -4.990 -1.216 288 HG12 VAL 40 HG12 VAL 40 1.824 -5.875 -0.706 289 HG13 VAL 40 HG13 VAL 40 2.979 -6.634 -1.806 290 HG21 VAL 40 HG21 VAL 40 2.143 -6.096 1.713 291 HG22 VAL 40 HG22 VAL 40 3.223 -4.749 1.358 292 HG23 VAL 40 HG23 VAL 40 3.794 -6.102 2.333 293 H VAL 41 H VAL 41 2.442 -10.033 -0.842 294 HA VAL 41 HA VAL 41 4.609 -10.568 -2.677 295 HB VAL 41 HB VAL 41 1.810 -11.785 -2.548 296 HG11 VAL 41 HG11 VAL 41 2.746 -13.593 -3.951 297 HG12 VAL 41 HG12 VAL 41 4.245 -12.677 -4.112 298 HG13 VAL 41 HG13 VAL 41 2.747 -12.039 -4.786 299 HG21 VAL 41 HG21 VAL 41 4.478 -12.816 -1.557 300 HG22 VAL 41 HG22 VAL 41 2.965 -13.728 -1.552 301 HG23 VAL 41 HG23 VAL 41 3.125 -12.281 -0.557 302 H LEU 42 H LEU 42 4.826 -9.576 -4.632 303 HA LEU 42 HA LEU 42 3.031 -7.446 -5.220 304 HB2 LEU 42 HB2 LEU 42 5.528 -8.393 -6.594 305 HB3 LEU 42 HB3 LEU 42 4.538 -7.141 -7.293 306 HG LEU 42 HG LEU 42 6.262 -5.983 -6.227 307 HD11 LEU 42 HD11 LEU 42 5.243 -4.643 -4.613 308 HD12 LEU 42 HD12 LEU 42 4.217 -5.954 -4.048 309 HD13 LEU 42 HD13 LEU 42 3.924 -5.224 -5.628 310 HD21 LEU 42 HD21 LEU 42 7.064 -6.380 -3.983 311 HD22 LEU 42 HD22 LEU 42 7.181 -7.854 -4.948 312 HD23 LEU 42 HD23 LEU 42 5.883 -7.670 -3.768 313 H SER 43 H SER 43 3.328 -10.672 -6.525 314 HA SER 43 HA SER 43 1.883 -10.239 -8.945 315 HB2 SER 43 HB2 SER 43 1.646 -12.645 -9.053 316 HB3 SER 43 HB3 SER 43 3.265 -12.273 -8.465 317 HG SER 43 HG SER 43 1.477 -13.813 -7.332 318 H THR 44 H THR 44 0.938 -9.815 -5.840 319 HA THR 44 HA THR 44 -1.913 -10.300 -6.422 320 HB THR 44 HB THR 44 -2.319 -10.402 -4.021 321 HG1 THR 44 HG1 THR 44 -0.922 -9.397 -2.790 322 HG21 THR 44 HG21 THR 44 0.005 -12.166 -4.768 323 HG22 THR 44 HG22 THR 44 -1.698 -12.507 -5.091 324 HG23 THR 44 HG23 THR 44 -1.109 -12.451 -3.429 325 H ILE 45 H ILE 45 0.278 -7.981 -6.598 326 HA ILE 45 HA ILE 45 -1.341 -5.803 -5.438 327 HB ILE 45 HB ILE 45 1.627 -5.903 -6.040 328 HG12 ILE 45 HG12 ILE 45 1.078 -7.236 -4.071 329 HG13 ILE 45 HG13 ILE 45 1.963 -5.800 -3.597 330 HG21 ILE 45 HG21 ILE 45 0.614 -3.634 -6.345 331 HG22 ILE 45 HG22 ILE 45 1.907 -3.729 -5.152 332 HG23 ILE 45 HG23 ILE 45 0.223 -3.650 -4.623 333 HD11 ILE 45 HD11 ILE 45 0.144 -6.391 -2.041 334 HD12 ILE 45 HD12 ILE 45 -1.023 -6.144 -3.333 335 HD13 ILE 45 HD13 ILE 45 -0.064 -4.786 -2.743 336 H ASP 46 H ASP 46 -1.856 -4.035 -6.709 337 HA ASP 46 HA ASP 46 -1.466 -4.428 -9.596 338 HB2 ASP 46 HB2 ASP 46 -3.789 -4.667 -8.850 339 HB3 ASP 46 HB3 ASP 46 -3.753 -3.066 -8.149 340 H LYS 47 H LYS 47 -1.722 -1.840 -7.117 341 HA LYS 47 HA LYS 47 0.063 -0.204 -8.803 342 HB2 LYS 47 HB2 LYS 47 -2.372 0.821 -7.343 343 HB3 LYS 47 HB3 LYS 47 -1.162 1.850 -8.064 344 HG2 LYS 47 HG2 LYS 47 -1.720 0.993 -10.284 345 HG3 LYS 47 HG3 LYS 47 -2.923 -0.076 -9.562 346 HD2 LYS 47 HD2 LYS 47 -4.165 1.872 -8.731 347 HD3 LYS 47 HD3 LYS 47 -2.964 2.944 -9.453 348 HE2 LYS 47 HE2 LYS 47 -3.540 2.184 -11.659 349 HE3 LYS 47 HE3 LYS 47 -4.660 0.987 -11.008 350 HZ1 LYS 47 HZ1 LYS 47 -6.009 2.811 -10.134 351 HZ2 LYS 47 HZ2 LYS 47 -5.825 2.948 -11.809 352 HZ3 LYS 47 HZ3 LYS 47 -4.927 3.942 -10.777 353 H LEU 48 H LEU 48 0.816 1.813 -7.482 354 HA LEU 48 HA LEU 48 1.185 1.328 -4.631 355 HB2 LEU 48 HB2 LEU 48 3.788 2.023 -5.446 356 HB3 LEU 48 HB3 LEU 48 3.287 0.484 -4.794 357 HG LEU 48 HG LEU 48 2.811 -0.266 -7.141 358 HD11 LEU 48 HD11 LEU 48 3.316 2.464 -7.719 359 HD12 LEU 48 HD12 LEU 48 2.912 1.161 -8.834 360 HD13 LEU 48 HD13 LEU 48 4.603 1.502 -8.450 361 HD21 LEU 48 HD21 LEU 48 4.842 -0.834 -5.876 362 HD22 LEU 48 HD22 LEU 48 5.629 0.584 -6.582 363 HD23 LEU 48 HD23 LEU 48 5.091 -0.738 -7.616 364 H GLN 49 H GLN 49 1.246 3.308 -3.548 365 HA GLN 49 HA GLN 49 1.608 5.732 -5.197 366 HB2 GLN 49 HB2 GLN 49 -0.626 5.251 -3.191 367 HB3 GLN 49 HB3 GLN 49 -0.307 6.771 -3.988 368 HG2 GLN 49 HG2 GLN 49 -0.801 5.796 -6.147 369 HG3 GLN 49 HG3 GLN 49 -1.056 4.219 -5.404 370 HE21 GLN 49 HE21 GLN 49 -2.917 5.619 -7.016 371 HE22 GLN 49 HE22 GLN 49 -4.296 5.986 -6.043 372 H ALA 50 H ALA 50 3.270 6.884 -4.424 373 HA ALA 50 HA ALA 50 3.859 6.819 -1.533 374 HB1 ALA 50 HB1 ALA 50 6.187 7.159 -2.096 375 HB2 ALA 50 HB2 ALA 50 5.771 7.312 -3.805 376 HB3 ALA 50 HB3 ALA 50 5.548 5.771 -2.976 377 H THR 51 H THR 51 4.702 8.711 -0.505 378 HA THR 51 HA THR 51 3.285 11.099 -1.175 379 HB THR 51 HB THR 51 4.857 12.070 0.715 380 HG1 THR 51 HG1 THR 51 6.284 10.414 1.002 381 HG21 THR 51 HG21 THR 51 2.599 10.094 1.084 382 HG22 THR 51 HG22 THR 51 2.533 11.858 1.153 383 HG23 THR 51 HG23 THR 51 3.330 10.948 2.438 384 HA PRO 52 HA PRO 52 6.444 12.940 -3.940 385 HB2 PRO 52 HB2 PRO 52 4.849 15.379 -3.379 386 HB3 PRO 52 HB3 PRO 52 5.361 14.705 -4.927 387 HG2 PRO 52 HG2 PRO 52 2.882 14.487 -4.130 388 HG3 PRO 52 HG3 PRO 52 3.591 13.265 -4.949 389 HD2 PRO 52 HD2 PRO 52 3.052 13.373 -2.094 390 HD3 PRO 52 HD3 PRO 52 2.985 12.055 -3.057 391 H ALA 53 H ALA 53 8.025 14.661 -3.772 392 HA ALA 53 HA ALA 53 9.008 15.120 -1.127 393 HB1 ALA 53 HB1 ALA 53 9.920 16.330 -3.736 394 HB2 ALA 53 HB2 ALA 53 10.503 14.814 -3.046 395 HB3 ALA 53 HB3 ALA 53 10.811 16.338 -2.215 396 H SER 54 H SER 54 6.689 16.696 -2.988 397 HA SER 54 HA SER 54 6.952 19.266 -1.638 398 HB2 SER 54 HB2 SER 54 5.069 19.956 -3.021 399 HB3 SER 54 HB3 SER 54 6.321 19.226 -4.015 400 HG SER 54 HG SER 54 4.622 17.332 -3.184 401 H SER 55 H SER 55 5.345 16.272 -1.287 402 HA SER 55 HA SER 55 3.101 17.128 0.234 403 HB2 SER 55 HB2 SER 55 2.863 15.075 -0.861 404 HB3 SER 55 HB3 SER 55 4.368 14.447 -0.200 405 HG SER 55 HG SER 55 2.559 15.237 1.703 406 H GLU 56 H GLU 56 2.795 17.333 2.360 407 HA GLU 56 HA GLU 56 4.895 17.724 4.199 408 HB2 GLU 56 HB2 GLU 56 2.068 17.044 4.921 409 HB3 GLU 56 HB3 GLU 56 3.198 18.021 5.840 410 HG2 GLU 56 HG2 GLU 56 1.647 19.512 4.878 411 HG3 GLU 56 HG3 GLU 56 3.122 19.667 3.929 412 H LYS 57 H LYS 57 3.430 14.917 3.088 413 HA LYS 57 HA LYS 57 3.696 13.373 5.523 414 HB2 LYS 57 HB2 LYS 57 2.474 12.837 2.842 415 HB3 LYS 57 HB3 LYS 57 2.525 11.675 4.133 416 HG2 LYS 57 HG2 LYS 57 1.292 13.415 5.507 417 HG3 LYS 57 HG3 LYS 57 1.011 14.232 3.989 418 HD2 LYS 57 HD2 LYS 57 -0.110 12.246 3.125 419 HD3 LYS 57 HD3 LYS 57 0.135 11.448 4.682 420 HE2 LYS 57 HE2 LYS 57 -1.284 14.057 4.304 421 HE3 LYS 57 HE3 LYS 57 -2.108 12.503 4.414 422 HZ1 LYS 57 HZ1 LYS 57 -2.097 13.624 6.552 423 HZ2 LYS 57 HZ2 LYS 57 -0.408 13.703 6.538 424 HZ3 LYS 57 HZ3 LYS 57 -1.183 12.203 6.632 425 H MET 58 H MET 58 4.747 11.395 5.634 426 HA MET 58 HA MET 58 6.541 10.683 3.412 427 HB2 MET 58 HB2 MET 58 7.119 10.334 6.363 428 HB3 MET 58 HB3 MET 58 8.170 9.852 5.052 429 HG2 MET 58 HG2 MET 58 8.506 12.167 4.424 430 HG3 MET 58 HG3 MET 58 7.367 12.692 5.659 431 HE1 MET 58 HE1 MET 58 9.258 12.254 8.966 432 HE2 MET 58 HE2 MET 58 8.017 11.204 8.283 433 HE3 MET 58 HE3 MET 58 7.873 12.955 8.129 434 H MET 59 H MET 59 5.377 9.066 2.506 435 HA MET 59 HA MET 59 4.820 6.652 3.985 436 HB2 MET 59 HB2 MET 59 2.493 6.621 3.749 437 HB3 MET 59 HB3 MET 59 2.833 8.232 4.315 438 HG2 MET 59 HG2 MET 59 2.894 8.599 1.668 439 HG3 MET 59 HG3 MET 59 1.724 7.303 1.748 440 HE1 MET 59 HE1 MET 59 0.240 8.390 4.732 441 HE2 MET 59 HE2 MET 59 -0.493 7.566 3.360 442 HE3 MET 59 HE3 MET 59 -1.138 9.116 3.893 443 H LEU 60 H LEU 60 4.276 4.870 2.680 444 HA LEU 60 HA LEU 60 4.364 5.220 -0.230 445 HB2 LEU 60 HB2 LEU 60 6.600 4.581 0.293 446 HB3 LEU 60 HB3 LEU 60 6.063 3.376 1.437 447 HG LEU 60 HG LEU 60 5.067 2.159 -0.605 448 HD11 LEU 60 HD11 LEU 60 6.028 2.608 -2.714 449 HD12 LEU 60 HD12 LEU 60 7.064 3.877 -2.040 450 HD13 LEU 60 HD13 LEU 60 5.311 4.099 -2.104 451 HD21 LEU 60 HD21 LEU 60 8.053 2.417 -0.306 452 HD22 LEU 60 HD22 LEU 60 7.219 1.153 -1.229 453 HD23 LEU 60 HD23 LEU 60 7.001 1.263 0.523 454 H ARG 61 H ARG 61 2.576 4.322 -1.062 455 HA ARG 61 HA ARG 61 1.114 2.376 0.575 456 HB2 ARG 61 HB2 ARG 61 -0.189 4.302 0.064 457 HB3 ARG 61 HB3 ARG 61 0.179 4.185 -1.639 458 HG2 ARG 61 HG2 ARG 61 -1.085 2.104 -1.762 459 HG3 ARG 61 HG3 ARG 61 -1.469 2.243 -0.059 460 HD2 ARG 61 HD2 ARG 61 -2.222 4.252 -2.171 461 HD3 ARG 61 HD3 ARG 61 -3.298 3.010 -1.541 462 HE ARG 61 HE ARG 61 -2.425 4.387 0.672 463 HH11 ARG 61 HH11 ARG 61 -4.191 5.263 -2.232 464 HH12 ARG 61 HH12 ARG 61 -4.996 6.596 -1.474 465 HH21 ARG 61 HH21 ARG 61 -3.492 6.128 1.639 466 HH22 ARG 61 HH22 ARG 61 -4.602 7.082 0.715 467 H LEU 62 H LEU 62 0.275 0.516 -0.241 468 HA LEU 62 HA LEU 62 1.194 -0.402 -2.881 469 HB2 LEU 62 HB2 LEU 62 1.474 -1.642 -0.182 470 HB3 LEU 62 HB3 LEU 62 1.188 -2.698 -1.545 471 HG LEU 62 HG LEU 62 3.518 -2.719 -1.097 472 HD11 LEU 62 HD11 LEU 62 3.044 -0.927 -3.452 473 HD12 LEU 62 HD12 LEU 62 2.896 -2.683 -3.434 474 HD13 LEU 62 HD13 LEU 62 4.469 -1.928 -3.170 475 HD21 LEU 62 HD21 LEU 62 3.661 -0.606 0.190 476 HD22 LEU 62 HD22 LEU 62 3.602 0.284 -1.328 477 HD23 LEU 62 HD23 LEU 62 4.954 -0.799 -0.995 478 H ILE 63 H ILE 63 -0.655 -0.479 -4.030 479 HA ILE 63 HA ILE 63 -3.209 -1.059 -2.760 480 HB ILE 63 HB ILE 63 -2.545 -0.278 -5.603 481 HG12 ILE 63 HG12 ILE 63 -4.027 1.400 -3.585 482 HG13 ILE 63 HG13 ILE 63 -2.289 1.499 -3.774 483 HG21 ILE 63 HG21 ILE 63 -4.592 -1.579 -5.617 484 HG22 ILE 63 HG22 ILE 63 -4.940 0.117 -5.955 485 HG23 ILE 63 HG23 ILE 63 -5.270 -0.549 -4.355 486 HD11 ILE 63 HD11 ILE 63 -3.391 3.288 -4.942 487 HD12 ILE 63 HD12 ILE 63 -4.334 2.126 -5.880 488 HD13 ILE 63 HD13 ILE 63 -2.581 2.216 -6.081 489 H GLY 64 H GLY 64 -4.463 -2.846 -3.112 490 HA2 GLY 64 HA2 GLY 64 -3.013 -5.194 -4.039 491 HA3 GLY 64 HA3 GLY 64 -4.473 -5.191 -3.071 492 H LYS 65 H LYS 65 -4.165 -6.921 -5.140 493 HA LYS 65 HA LYS 65 -5.592 -5.929 -7.462 494 HB2 LYS 65 HB2 LYS 65 -3.723 -7.485 -7.736 495 HB3 LYS 65 HB3 LYS 65 -4.574 -8.693 -6.785 496 HG2 LYS 65 HG2 LYS 65 -6.322 -8.802 -8.458 497 HG3 LYS 65 HG3 LYS 65 -5.509 -7.559 -9.409 498 HD2 LYS 65 HD2 LYS 65 -3.579 -9.012 -9.675 499 HD3 LYS 65 HD3 LYS 65 -4.360 -10.250 -8.703 500 HE2 LYS 65 HE2 LYS 65 -6.154 -10.402 -10.374 501 HE3 LYS 65 HE3 LYS 65 -5.362 -9.156 -11.333 502 HZ1 LYS 65 HZ1 LYS 65 -3.477 -10.639 -11.614 503 HZ2 LYS 65 HZ2 LYS 65 -4.896 -11.371 -12.171 504 HZ3 LYS 65 HZ3 LYS 65 -4.237 -11.828 -10.681 505 H VAL 66 H VAL 66 -7.706 -6.205 -7.865 506 HA VAL 66 HA VAL 66 -9.246 -7.996 -6.120 507 HB VAL 66 HB VAL 66 -10.370 -5.519 -7.408 508 HG11 VAL 66 HG11 VAL 66 -12.307 -5.962 -5.921 509 HG12 VAL 66 HG12 VAL 66 -11.575 -7.510 -5.495 510 HG13 VAL 66 HG13 VAL 66 -12.063 -7.191 -7.161 511 HG21 VAL 66 HG21 VAL 66 -8.874 -4.835 -5.667 512 HG22 VAL 66 HG22 VAL 66 -9.564 -6.019 -4.561 513 HG23 VAL 66 HG23 VAL 66 -10.533 -4.643 -5.092 514 H ASP 67 H ASP 67 -10.408 -9.561 -7.030 515 HA ASP 67 HA ASP 67 -10.979 -9.460 -9.899 516 HB2 ASP 67 HB2 ASP 67 -10.038 -11.567 -8.910 517 HB3 ASP 67 HB3 ASP 67 -11.498 -11.714 -7.941 518 H GLU 68 H GLU 68 -12.534 -7.827 -9.861 519 HA GLU 68 HA GLU 68 -14.536 -7.563 -7.903 520 HB2 GLU 68 HB2 GLU 68 -14.141 -6.314 -10.604 521 HB3 GLU 68 HB3 GLU 68 -15.567 -5.958 -9.641 522 HG2 GLU 68 HG2 GLU 68 -14.153 -5.120 -7.826 523 HG3 GLU 68 HG3 GLU 68 -12.714 -5.515 -8.770 524 H SER 69 H SER 69 -14.420 -9.886 -10.265 525 HA SER 69 HA SER 69 -17.224 -10.132 -10.834 526 HB2 SER 69 HB2 SER 69 -16.643 -12.249 -11.863 527 HB3 SER 69 HB3 SER 69 -15.430 -11.051 -12.313 528 HG SER 69 HG SER 69 -15.116 -12.854 -10.148 529 H LYS 70 H LYS 70 -15.494 -10.577 -8.036 530 HA LYS 70 HA LYS 70 -17.046 -12.804 -6.980 531 HB2 LYS 70 HB2 LYS 70 -14.863 -11.089 -5.782 532 HB3 LYS 70 HB3 LYS 70 -15.717 -12.327 -4.876 533 HG2 LYS 70 HG2 LYS 70 -14.923 -14.023 -6.476 534 HG3 LYS 70 HG3 LYS 70 -14.046 -12.771 -7.347 535 HD2 LYS 70 HD2 LYS 70 -12.725 -12.322 -5.280 536 HD3 LYS 70 HD3 LYS 70 -13.549 -13.667 -4.497 537 HE2 LYS 70 HE2 LYS 70 -12.550 -15.243 -5.996 538 HE3 LYS 70 HE3 LYS 70 -11.930 -13.951 -7.026 539 HZ1 LYS 70 HZ1 LYS 70 -10.195 -14.886 -5.629 540 HZ2 LYS 70 HZ2 LYS 70 -11.069 -14.497 -4.234 541 HZ3 LYS 70 HZ3 LYS 70 -10.471 -13.266 -5.228 542 H LYS 71 H LYS 71 -18.338 -10.293 -7.771 543 HA LYS 71 HA LYS 71 -19.016 -8.463 -5.876 544 HB2 LYS 71 HB2 LYS 71 -20.841 -9.675 -7.928 545 HB3 LYS 71 HB3 LYS 71 -21.192 -8.240 -7.011 546 HG2 LYS 71 HG2 LYS 71 -19.222 -7.170 -7.949 547 HG3 LYS 71 HG3 LYS 71 -19.008 -8.589 -8.961 548 HD2 LYS 71 HD2 LYS 71 -21.270 -8.290 -9.863 549 HD3 LYS 71 HD3 LYS 71 -21.417 -6.826 -8.880 550 HE2 LYS 71 HE2 LYS 71 -19.401 -5.942 -10.027 551 HE3 LYS 71 HE3 LYS 71 -19.494 -7.368 -11.061 552 HZ1 LYS 71 HZ1 LYS 71 -20.522 -5.448 -12.123 553 HZ2 LYS 71 HZ2 LYS 71 -21.608 -5.303 -10.834 554 HZ3 LYS 71 HZ3 LYS 71 -21.662 -6.666 -11.836 555 H ARG 72 H ARG 72 -19.954 -8.401 -3.998 556 HA ARG 72 HA ARG 72 -21.529 -10.707 -3.079 557 HB2 ARG 72 HB2 ARG 72 -19.920 -8.613 -1.603 558 HB3 ARG 72 HB3 ARG 72 -20.964 -9.767 -0.797 559 HG2 ARG 72 HG2 ARG 72 -19.605 -11.611 -1.752 560 HG3 ARG 72 HG3 ARG 72 -18.512 -10.401 -2.428 561 HD2 ARG 72 HD2 ARG 72 -19.009 -11.106 0.444 562 HD3 ARG 72 HD3 ARG 72 -17.478 -11.029 -0.431 563 HE ARG 72 HE ARG 72 -17.919 -8.530 -0.485 564 HH11 ARG 72 HH11 ARG 72 -19.096 -10.548 2.139 565 HH12 ARG 72 HH12 ARG 72 -19.090 -9.253 3.289 566 HH21 ARG 72 HH21 ARG 72 -17.919 -6.853 1.034 567 HH22 ARG 72 HH22 ARG 72 -18.425 -7.162 2.662 568 H LYS 73 H LYS 73 -23.494 -10.324 -1.945 569 HA LYS 73 HA LYS 73 -24.597 -7.595 -2.154 570 HB2 LYS 73 HB2 LYS 73 -26.035 -10.201 -2.728 571 HB3 LYS 73 HB3 LYS 73 -26.834 -8.647 -2.563 572 HG2 LYS 73 HG2 LYS 73 -25.540 -7.785 -4.448 573 HG3 LYS 73 HG3 LYS 73 -24.785 -9.362 -4.625 574 HD2 LYS 73 HD2 LYS 73 -26.973 -10.361 -5.047 575 HD3 LYS 73 HD3 LYS 73 -27.725 -8.772 -4.889 576 HE2 LYS 73 HE2 LYS 73 -26.400 -7.955 -6.778 577 HE3 LYS 73 HE3 LYS 73 -25.652 -9.545 -6.940 578 HZ1 LYS 73 HZ1 LYS 73 -27.453 -9.249 -8.523 579 HZ2 LYS 73 HZ2 LYS 73 -28.548 -8.967 -7.265 580 HZ3 LYS 73 HZ3 LYS 73 -27.822 -10.486 -7.428 581 H ASP 74 H ASP 74 -25.802 -6.905 -0.413 582 HA ASP 74 HA ASP 74 -25.249 -8.277 2.061 583 HB2 ASP 74 HB2 ASP 74 -25.989 -6.244 3.164 584 HB3 ASP 74 HB3 ASP 74 -24.910 -5.837 1.841 585 H ASN 75 H ASN 75 -27.384 -7.587 3.734 586 HA ASN 75 HA ASN 75 -28.937 -9.885 3.532 587 HB2 ASN 75 HB2 ASN 75 -29.315 -7.352 5.108 588 HB3 ASN 75 HB3 ASN 75 -30.430 -8.707 5.252 589 HD21 ASN 75 HD21 ASN 75 -28.863 -7.656 7.343 590 HD22 ASN 75 HD22 ASN 75 -27.756 -8.882 7.851 591 H GLU 76 H GLU 76 -29.639 -6.694 2.219 592 HA GLU 76 HA GLU 76 -32.419 -7.416 1.699 593 HB2 GLU 76 HB2 GLU 76 -30.926 -4.829 1.250 594 HB3 GLU 76 HB3 GLU 76 -32.624 -5.068 0.875 595 HG2 GLU 76 HG2 GLU 76 -31.520 -5.499 3.635 596 HG3 GLU 76 HG3 GLU 76 -32.060 -3.921 3.068 597 H GLY 77 H GLY 77 -29.416 -7.394 0.045 598 HA2 GLY 77 HA2 GLY 77 -29.195 -8.589 -2.022 599 HA3 GLY 77 HA3 GLY 77 -30.802 -8.048 -2.470 600 H ASN 78 H ASN 78 -28.653 -5.742 -1.059 601 HA ASN 78 HA ASN 78 -28.442 -4.301 -3.582 602 HB2 ASN 78 HB2 ASN 78 -27.497 -3.508 -0.812 603 HB3 ASN 78 HB3 ASN 78 -27.531 -2.464 -2.228 604 HD21 ASN 78 HD21 ASN 78 -29.062 -3.095 0.544 605 HD22 ASN 78 HD22 ASN 78 -30.666 -2.596 0.142 606 H GLU 79 H GLU 79 -26.449 -3.631 -4.485 607 HA GLU 79 HA GLU 79 -24.514 -5.739 -4.467 608 HB2 GLU 79 HB2 GLU 79 -25.214 -4.495 -6.521 609 HB3 GLU 79 HB3 GLU 79 -24.411 -3.068 -5.895 610 HG2 GLU 79 HG2 GLU 79 -22.279 -4.206 -6.037 611 HG3 GLU 79 HG3 GLU 79 -23.092 -5.670 -6.586 612 H VAL 80 H VAL 80 -22.950 -5.942 -3.063 613 HA VAL 80 HA VAL 80 -21.431 -3.552 -2.280 614 HB VAL 80 HB VAL 80 -21.905 -5.966 -0.504 615 HG11 VAL 80 HG11 VAL 80 -20.331 -3.447 0.010 616 HG12 VAL 80 HG12 VAL 80 -19.668 -5.064 -0.220 617 HG13 VAL 80 HG13 VAL 80 -20.658 -4.712 1.196 618 HG21 VAL 80 HG21 VAL 80 -23.856 -4.446 -0.636 619 HG22 VAL 80 HG22 VAL 80 -22.828 -3.130 -0.063 620 HG23 VAL 80 HG23 VAL 80 -23.139 -4.520 0.977 621 H VAL 81 H VAL 81 -19.764 -3.655 -3.606 622 HA VAL 81 HA VAL 81 -18.564 -6.245 -4.169 623 HB VAL 81 HB VAL 81 -18.168 -3.643 -5.640 624 HG11 VAL 81 HG11 VAL 81 -16.238 -5.015 -5.984 625 HG12 VAL 81 HG12 VAL 81 -17.209 -5.034 -7.458 626 HG13 VAL 81 HG13 VAL 81 -17.241 -6.416 -6.363 627 HG21 VAL 81 HG21 VAL 81 -19.563 -4.593 -7.424 628 HG22 VAL 81 HG22 VAL 81 -20.451 -4.398 -5.912 629 HG23 VAL 81 HG23 VAL 81 -19.890 -5.996 -6.404 630 HA PRO 82 HA PRO 82 -15.299 -5.292 -1.263 631 HB2 PRO 82 HB2 PRO 82 -13.517 -7.238 -1.988 632 HB3 PRO 82 HB3 PRO 82 -14.945 -7.548 -0.996 633 HG2 PRO 82 HG2 PRO 82 -14.616 -7.949 -3.878 634 HG3 PRO 82 HG3 PRO 82 -15.311 -8.949 -2.790 635 HD2 PRO 82 HD2 PRO 82 -16.768 -7.493 -4.290 636 HD3 PRO 82 HD3 PRO 82 -17.214 -7.769 -2.744 637 H LYS 83 H LYS 83 -13.654 -3.981 -1.212 638 HA LYS 83 HA LYS 83 -12.581 -2.990 -3.746 639 HB2 LYS 83 HB2 LYS 83 -12.507 -1.825 -0.960 640 HB3 LYS 83 HB3 LYS 83 -11.844 -1.055 -2.370 641 HG2 LYS 83 HG2 LYS 83 -14.725 -1.725 -2.003 642 HG3 LYS 83 HG3 LYS 83 -13.981 -0.175 -1.762 643 HD2 LYS 83 HD2 LYS 83 -13.266 -0.185 -4.153 644 HD3 LYS 83 HD3 LYS 83 -14.216 -1.654 -4.348 645 HE2 LYS 83 HE2 LYS 83 -16.239 -0.406 -3.668 646 HE3 LYS 83 HE3 LYS 83 -15.276 1.066 -3.569 647 HZ1 LYS 83 HZ1 LYS 83 -16.464 0.934 -5.664 648 HZ2 LYS 83 HZ2 LYS 83 -15.732 -0.548 -6.023 649 HZ3 LYS 83 HZ3 LYS 83 -14.795 0.858 -5.935 650 HA PRO 84 HA PRO 84 -8.449 -4.488 -3.078 651 HB2 PRO 84 HB2 PRO 84 -6.814 -2.490 -3.850 652 HB3 PRO 84 HB3 PRO 84 -7.728 -3.465 -4.999 653 HG2 PRO 84 HG2 PRO 84 -8.280 -0.764 -4.046 654 HG3 PRO 84 HG3 PRO 84 -8.423 -1.363 -5.559 655 HD2 PRO 84 HD2 PRO 84 -10.673 -1.255 -3.915 656 HD3 PRO 84 HD3 PRO 84 -10.566 -2.424 -5.051 657 H GLN 85 H GLN 85 -6.718 -4.493 -1.715 658 HA GLN 85 HA GLN 85 -6.955 -2.788 0.648 659 HB2 GLN 85 HB2 GLN 85 -5.330 -5.286 0.159 660 HB3 GLN 85 HB3 GLN 85 -5.315 -4.380 1.662 661 HG2 GLN 85 HG2 GLN 85 -7.670 -4.836 1.996 662 HG3 GLN 85 HG3 GLN 85 -7.743 -5.674 0.452 663 HE21 GLN 85 HE21 GLN 85 -8.614 -7.359 1.947 664 HE22 GLN 85 HE22 GLN 85 -7.482 -8.449 2.662 665 H ARG 86 H ARG 86 -5.537 -1.280 1.210 666 HA ARG 86 HA ARG 86 -3.201 -0.863 -0.556 667 HB2 ARG 86 HB2 ARG 86 -4.800 1.220 0.964 668 HB3 ARG 86 HB3 ARG 86 -3.398 1.546 -0.042 669 HG2 ARG 86 HG2 ARG 86 -4.558 1.046 -2.019 670 HG3 ARG 86 HG3 ARG 86 -5.855 0.229 -1.151 671 HD2 ARG 86 HD2 ARG 86 -6.593 2.339 -0.206 672 HD3 ARG 86 HD3 ARG 86 -5.254 3.181 -0.990 673 HE ARG 86 HE ARG 86 -6.811 1.805 -2.911 674 HH11 ARG 86 HH11 ARG 86 -6.926 4.678 -0.891 675 HH12 ARG 86 HH12 ARG 86 -8.001 5.521 -1.955 676 HH21 ARG 86 HH21 ARG 86 -8.221 2.930 -4.285 677 HH22 ARG 86 HH22 ARG 86 -8.731 4.533 -3.872 678 H HIS 87 H HIS 87 -1.340 -1.333 0.410 679 HA HIS 87 HA HIS 87 -1.118 -1.195 3.330 680 HB2 HIS 87 HB2 HIS 87 1.027 -2.317 1.546 681 HB3 HIS 87 HB3 HIS 87 0.618 -2.762 3.195 682 HD1 HIS 87 HD1 HIS 87 -1.428 -4.388 3.493 683 HD2 HIS 87 HD2 HIS 87 -0.267 -3.722 -0.443 684 HE1 HIS 87 HE1 HIS 87 -2.512 -6.216 2.149 685 HE2 HIS 87 HE2 HIS 87 -1.743 -5.833 -0.216 686 H MET 88 H MET 88 -0.341 0.615 4.169 687 HA MET 88 HA MET 88 1.436 2.317 2.553 688 HB2 MET 88 HB2 MET 88 -0.412 3.033 4.836 689 HB3 MET 88 HB3 MET 88 0.610 4.159 3.998 690 HG2 MET 88 HG2 MET 88 -0.671 3.557 1.877 691 HG3 MET 88 HG3 MET 88 -1.807 2.732 2.933 692 HE1 MET 88 HE1 MET 88 -2.197 4.425 5.483 693 HE2 MET 88 HE2 MET 88 -3.484 3.793 4.453 694 HE3 MET 88 HE3 MET 88 -3.505 5.486 4.947 695 H PHE 89 H PHE 89 3.373 2.946 3.261 696 HA PHE 89 HA PHE 89 4.247 2.127 5.961 697 HB2 PHE 89 HB2 PHE 89 5.867 2.015 3.406 698 HB3 PHE 89 HB3 PHE 89 6.488 1.678 5.007 699 HD1 PHE 89 HD1 PHE 89 4.377 0.458 2.285 700 HD2 PHE 89 HD2 PHE 89 6.093 -0.436 6.065 701 HE1 PHE 89 HE1 PHE 89 3.811 -1.905 1.956 702 HE2 PHE 89 HE2 PHE 89 5.520 -2.810 5.766 703 HZ PHE 89 HZ PHE 89 4.379 -3.549 3.710 704 H SER 90 H SER 90 5.177 3.758 7.130 705 HA SER 90 HA SER 90 5.492 6.360 5.885 706 HB2 SER 90 HB2 SER 90 5.715 5.407 8.714 707 HB3 SER 90 HB3 SER 90 6.110 7.054 8.257 708 HG SER 90 HG SER 90 3.980 7.038 8.855 709 H PHE 91 H PHE 91 7.359 7.542 5.737 710 HA PHE 91 HA PHE 91 9.878 6.016 5.897 711 HB2 PHE 91 HB2 PHE 91 8.660 7.495 3.604 712 HB3 PHE 91 HB3 PHE 91 10.409 7.486 3.753 713 HD1 PHE 91 HD1 PHE 91 7.556 5.057 3.881 714 HD2 PHE 91 HD2 PHE 91 11.551 5.857 2.632 715 HE1 PHE 91 HE1 PHE 91 7.653 2.871 2.745 716 HE2 PHE 91 HE2 PHE 91 11.641 3.673 1.503 717 HZ PHE 91 HZ PHE 91 9.686 2.182 1.561 718 H ASN 92 H ASN 92 11.806 7.588 5.441 719 HA ASN 92 HA ASN 92 11.381 10.115 6.884 720 HB2 ASN 92 HB2 ASN 92 13.798 8.295 7.066 721 HB3 ASN 92 HB3 ASN 92 13.688 9.883 7.806 722 HD21 ASN 92 HD21 ASN 92 13.144 6.590 8.179 723 HD22 ASN 92 HD22 ASN 92 12.270 6.635 9.669 724 H ASN 93 H ASN 93 12.567 8.611 4.055 725 HA ASN 93 HA ASN 93 13.530 11.182 3.029 726 HB2 ASN 93 HB2 ASN 93 15.486 9.752 3.860 727 HB3 ASN 93 HB3 ASN 93 15.117 8.659 2.531 728 HD21 ASN 93 HD21 ASN 93 17.560 9.987 2.849 729 HD22 ASN 93 HD22 ASN 93 17.757 11.095 1.538 730 H ARG 94 H ARG 94 13.207 11.501 0.856 731 HA ARG 94 HA ARG 94 11.276 9.811 -0.442 732 HB2 ARG 94 HB2 ARG 94 12.541 12.438 -1.096 733 HB3 ARG 94 HB3 ARG 94 11.715 11.539 -2.360 734 HG2 ARG 94 HG2 ARG 94 10.236 13.185 -1.362 735 HG3 ARG 94 HG3 ARG 94 9.659 11.553 -1.034 736 HD2 ARG 94 HD2 ARG 94 10.477 11.655 1.215 737 HD3 ARG 94 HD3 ARG 94 11.298 13.175 0.902 738 HE ARG 94 HE ARG 94 8.371 13.018 0.730 739 HH11 ARG 94 HH11 ARG 94 11.240 14.412 2.205 740 HH12 ARG 94 HH12 ARG 94 10.353 15.643 3.040 741 HH21 ARG 94 HH21 ARG 94 7.232 14.641 1.832 742 HH22 ARG 94 HH22 ARG 94 8.088 15.772 2.828 743 H THR 95 H THR 95 14.684 10.024 -0.473 744 HA THR 95 HA THR 95 15.097 9.014 -3.136 745 HB THR 95 HB THR 95 17.477 8.826 -2.476 746 HG1 THR 95 HG1 THR 95 16.386 9.347 0.083 747 HG21 THR 95 HG21 THR 95 16.218 11.423 -1.561 748 HG22 THR 95 HG22 THR 95 16.664 11.022 -3.220 749 HG23 THR 95 HG23 THR 95 17.914 11.196 -1.988 750 H VAL 96 H VAL 96 14.439 7.601 -0.041 751 HA VAL 96 HA VAL 96 15.371 4.950 -0.772 752 HB VAL 96 HB VAL 96 13.638 5.785 1.586 753 HG11 VAL 96 HG11 VAL 96 15.152 3.196 1.264 754 HG12 VAL 96 HG12 VAL 96 13.449 3.366 0.854 755 HG13 VAL 96 HG13 VAL 96 13.983 3.620 2.517 756 HG21 VAL 96 HG21 VAL 96 15.624 5.606 2.948 757 HG22 VAL 96 HG22 VAL 96 15.935 6.730 1.621 758 HG23 VAL 96 HG23 VAL 96 16.576 5.090 1.554 759 H MET 97 H MET 97 12.127 6.355 -0.065 760 HA MET 97 HA MET 97 10.523 4.247 -0.842 761 HB2 MET 97 HB2 MET 97 8.718 5.854 -1.213 762 HB3 MET 97 HB3 MET 97 9.632 6.259 0.227 763 HG2 MET 97 HG2 MET 97 10.780 7.995 -0.942 764 HG3 MET 97 HG3 MET 97 9.940 7.605 -2.436 765 HE1 MET 97 HE1 MET 97 8.550 8.005 1.364 766 HE2 MET 97 HE2 MET 97 8.146 9.719 1.250 767 HE3 MET 97 HE3 MET 97 9.815 9.189 1.049 768 H ASP 98 H ASP 98 11.881 6.747 -2.983 769 HA ASP 98 HA ASP 98 10.647 5.768 -5.362 770 HB2 ASP 98 HB2 ASP 98 13.002 7.580 -4.801 771 HB3 ASP 98 HB3 ASP 98 12.612 7.095 -6.445 772 H ASN 99 H ASN 99 13.410 4.704 -3.576 773 HA ASN 99 HA ASN 99 14.517 3.125 -5.749 774 HB2 ASN 99 HB2 ASN 99 15.266 3.478 -2.846 775 HB3 ASN 99 HB3 ASN 99 16.053 2.289 -3.869 776 HD21 ASN 99 HD21 ASN 99 17.658 4.111 -2.755 777 HD22 ASN 99 HD22 ASN 99 18.172 5.293 -3.906 778 H ILE 100 H ILE 100 12.454 2.634 -2.924 779 HA ILE 100 HA ILE 100 12.339 -0.238 -3.224 780 HB ILE 100 HB ILE 100 10.505 1.626 -1.671 781 HG12 ILE 100 HG12 ILE 100 12.750 1.639 -0.701 782 HG13 ILE 100 HG13 ILE 100 11.630 0.843 0.365 783 HG21 ILE 100 HG21 ILE 100 9.498 -0.211 -0.602 784 HG22 ILE 100 HG22 ILE 100 10.685 -1.342 -1.250 785 HG23 ILE 100 HG23 ILE 100 9.501 -0.603 -2.322 786 HD11 ILE 100 HD11 ILE 100 12.536 -1.329 -0.324 787 HD12 ILE 100 HD12 ILE 100 13.773 -0.274 0.365 788 HD13 ILE 100 HD13 ILE 100 13.681 -0.504 -1.383 789 H LYS 101 H LYS 101 10.032 2.431 -3.807 790 HA LYS 101 HA LYS 101 7.979 1.150 -5.102 791 HB2 LYS 101 HB2 LYS 101 7.916 3.468 -4.356 792 HB3 LYS 101 HB3 LYS 101 9.068 3.912 -5.607 793 HG2 LYS 101 HG2 LYS 101 7.450 3.350 -7.327 794 HG3 LYS 101 HG3 LYS 101 6.312 2.815 -6.095 795 HD2 LYS 101 HD2 LYS 101 6.198 5.091 -5.200 796 HD3 LYS 101 HD3 LYS 101 7.370 5.617 -6.403 797 HE2 LYS 101 HE2 LYS 101 5.704 4.820 -8.151 798 HE3 LYS 101 HE3 LYS 101 4.531 4.733 -6.837 799 HZ1 LYS 101 HZ1 LYS 101 6.023 7.159 -7.686 800 HZ2 LYS 101 HZ2 LYS 101 4.920 7.088 -6.406 801 HZ3 LYS 101 HZ3 LYS 101 4.390 6.841 -7.993 802 H MET 102 H MET 102 10.934 2.454 -6.595 803 HA MET 102 HA MET 102 10.384 1.937 -9.278 804 HB2 MET 102 HB2 MET 102 12.253 3.251 -8.595 805 HB3 MET 102 HB3 MET 102 12.984 1.887 -7.802 806 HG2 MET 102 HG2 MET 102 12.819 0.882 -10.273 807 HG3 MET 102 HG3 MET 102 12.884 2.594 -10.662 808 HE1 MET 102 HE1 MET 102 14.696 -0.480 -9.119 809 HE2 MET 102 HE2 MET 102 16.331 -0.125 -9.673 810 HE3 MET 102 HE3 MET 102 15.027 -0.307 -10.843 811 H THR 103 H THR 103 12.231 -0.201 -7.071 812 HA THR 103 HA THR 103 12.388 -2.424 -8.733 813 HB THR 103 HB THR 103 12.118 -2.484 -5.710 814 HG1 THR 103 HG1 THR 103 14.320 -2.021 -7.437 815 HG21 THR 103 HG21 THR 103 13.420 -4.464 -7.599 816 HG22 THR 103 HG22 THR 103 11.901 -4.717 -6.740 817 HG23 THR 103 HG23 THR 103 13.408 -4.571 -5.840 818 H LEU 104 H LEU 104 9.974 -1.933 -6.120 819 HA LEU 104 HA LEU 104 8.198 -3.944 -6.492 820 HB2 LEU 104 HB2 LEU 104 7.665 -1.016 -5.936 821 HB3 LEU 104 HB3 LEU 104 6.406 -2.221 -5.842 822 HG LEU 104 HG LEU 104 8.884 -2.208 -4.130 823 HD11 LEU 104 HD11 LEU 104 7.795 -0.447 -3.192 824 HD12 LEU 104 HD12 LEU 104 6.892 -1.735 -2.408 825 HD13 LEU 104 HD13 LEU 104 6.230 -0.931 -3.832 826 HD21 LEU 104 HD21 LEU 104 6.356 -3.692 -3.557 827 HD22 LEU 104 HD22 LEU 104 7.980 -3.967 -2.928 828 HD23 LEU 104 HD23 LEU 104 7.599 -4.405 -4.588 829 H GLN 105 H GLN 105 7.873 -0.764 -8.053 830 HA GLN 105 HA GLN 105 5.836 -1.265 -9.856 831 HB2 GLN 105 HB2 GLN 105 6.798 0.964 -9.405 832 HB3 GLN 105 HB3 GLN 105 8.237 0.530 -10.303 833 HG2 GLN 105 HG2 GLN 105 6.960 0.368 -12.350 834 HG3 GLN 105 HG3 GLN 105 5.466 0.662 -11.469 835 HE21 GLN 105 HE21 GLN 105 5.589 2.301 -13.366 836 HE22 GLN 105 HE22 GLN 105 6.187 3.863 -12.941 837 H GLN 106 H GLN 106 9.198 -2.165 -10.158 838 HA GLN 106 HA GLN 106 8.996 -2.889 -12.954 839 HB2 GLN 106 HB2 GLN 106 11.201 -3.041 -10.896 840 HB3 GLN 106 HB3 GLN 106 11.369 -3.769 -12.485 841 HG2 GLN 106 HG2 GLN 106 10.785 -0.871 -11.988 842 HG3 GLN 106 HG3 GLN 106 12.389 -1.500 -12.335 843 HE21 GLN 106 HE21 GLN 106 10.185 0.271 -13.674 844 HE22 GLN 106 HE22 GLN 106 10.224 -0.255 -15.318 845 H ILE 107 H ILE 107 8.531 -4.382 -9.896 846 HA ILE 107 HA ILE 107 8.670 -7.105 -10.834 847 HB ILE 107 HB ILE 107 7.735 -5.889 -8.217 848 HG12 ILE 107 HG12 ILE 107 10.166 -7.590 -8.845 849 HG13 ILE 107 HG13 ILE 107 10.185 -5.851 -8.732 850 HG21 ILE 107 HG21 ILE 107 6.459 -7.930 -8.654 851 HG22 ILE 107 HG22 ILE 107 7.566 -8.126 -7.298 852 HG23 ILE 107 HG23 ILE 107 7.963 -8.828 -8.869 853 HD11 ILE 107 HD11 ILE 107 9.754 -5.894 -6.397 854 HD12 ILE 107 HD12 ILE 107 11.066 -7.031 -6.725 855 HD13 ILE 107 HD13 ILE 107 9.432 -7.626 -6.435 856 H ILE 108 H ILE 108 6.039 -4.788 -10.075 857 HA ILE 108 HA ILE 108 3.928 -6.686 -10.432 858 HB ILE 108 HB ILE 108 3.802 -3.654 -10.433 859 HG12 ILE 108 HG12 ILE 108 2.812 -5.521 -8.310 860 HG13 ILE 108 HG13 ILE 108 4.487 -5.033 -8.346 861 HG21 ILE 108 HG21 ILE 108 1.532 -5.652 -10.261 862 HG22 ILE 108 HG22 ILE 108 1.886 -4.633 -11.656 863 HG23 ILE 108 HG23 ILE 108 1.378 -3.896 -10.134 864 HD11 ILE 108 HD11 ILE 108 3.894 -2.745 -8.041 865 HD12 ILE 108 HD12 ILE 108 3.109 -3.714 -6.798 866 HD13 ILE 108 HD13 ILE 108 2.180 -3.128 -8.176 867 H SER 109 H SER 109 5.411 -4.280 -12.531 868 HA SER 109 HA SER 109 3.713 -4.509 -14.762 869 HB2 SER 109 HB2 SER 109 5.519 -3.504 -16.049 870 HB3 SER 109 HB3 SER 109 5.402 -2.724 -14.473 871 HG SER 109 HG SER 109 7.283 -4.698 -15.269 872 H ARG 110 H ARG 110 6.048 -6.725 -13.534 873 HA ARG 110 HA ARG 110 6.282 -8.338 -15.918 874 HB2 ARG 110 HB2 ARG 110 8.046 -8.410 -14.221 875 HB3 ARG 110 HB3 ARG 110 6.897 -8.974 -13.019 876 HG2 ARG 110 HG2 ARG 110 8.255 -10.795 -13.804 877 HG3 ARG 110 HG3 ARG 110 6.585 -11.037 -14.301 878 HD2 ARG 110 HD2 ARG 110 7.132 -10.171 -16.530 879 HD3 ARG 110 HD3 ARG 110 8.809 -9.957 -16.032 880 HE ARG 110 HE ARG 110 8.313 -12.585 -15.544 881 HH11 ARG 110 HH11 ARG 110 8.008 -10.584 -18.417 882 HH12 ARG 110 HH12 ARG 110 8.300 -11.900 -19.504 883 HH21 ARG 110 HH21 ARG 110 8.692 -14.290 -16.987 884 HH22 ARG 110 HH22 ARG 110 8.684 -13.996 -18.693 885 H TYR 111 H TYR 111 4.454 -8.514 -12.883 886 HA TYR 111 HA TYR 111 2.872 -10.787 -13.716 887 HB2 TYR 111 HB2 TYR 111 2.475 -8.920 -11.370 888 HB3 TYR 111 HB3 TYR 111 1.621 -10.431 -11.640 889 HD1 TYR 111 HD1 TYR 111 4.470 -8.929 -10.141 890 HD2 TYR 111 HD2 TYR 111 3.066 -12.582 -11.821 891 HE1 TYR 111 HE1 TYR 111 6.244 -10.152 -8.961 892 HE2 TYR 111 HE2 TYR 111 4.841 -13.810 -10.648 893 HH TYR 111 HH TYR 111 7.050 -13.368 -9.686 894 H LYS 112 H LYS 112 2.858 -7.634 -14.609 895 HA LYS 112 HA LYS 112 -0.012 -7.214 -14.805 896 HB2 LYS 112 HB2 LYS 112 1.513 -5.378 -14.190 897 HB3 LYS 112 HB3 LYS 112 2.326 -5.538 -15.739 898 HG2 LYS 112 HG2 LYS 112 0.346 -4.816 -16.902 899 HG3 LYS 112 HG3 LYS 112 -0.578 -4.837 -15.414 900 HD2 LYS 112 HD2 LYS 112 0.719 -2.987 -14.527 901 HD3 LYS 112 HD3 LYS 112 1.783 -3.023 -15.928 902 HE2 LYS 112 HE2 LYS 112 0.257 -1.177 -16.164 903 HE3 LYS 112 HE3 LYS 112 -0.155 -2.401 -17.359 904 HZ1 LYS 112 HZ1 LYS 112 -1.555 -2.051 -14.763 905 HZ2 LYS 112 HZ2 LYS 112 -1.990 -3.109 -16.009 906 HZ3 LYS 112 HZ3 LYS 112 -2.104 -1.440 -16.242 907 H ASP 113 H ASP 113 2.710 -8.148 -16.769 908 HA ASP 113 HA ASP 113 1.214 -8.128 -19.258 909 HB2 ASP 113 HB2 ASP 113 4.061 -8.742 -18.494 910 HB3 ASP 113 HB3 ASP 113 3.443 -9.086 -20.098 911 H ALA 114 H ALA 114 2.461 -10.404 -16.870 912 HA ALA 114 HA ALA 114 2.241 -12.615 -16.517 913 HB1 ALA 114 HB1 ALA 114 -0.361 -12.330 -18.011 914 HB2 ALA 114 HB2 ALA 114 -0.116 -11.910 -16.318 915 HB3 ALA 114 HB3 ALA 114 0.060 -13.585 -16.845 916 H ASP 115 H ASP 115 3.970 -13.325 -17.667 917 HA ASP 115 HA ASP 115 3.492 -14.342 -20.377 918 HB2 ASP 115 HB2 ASP 115 5.420 -12.859 -20.157 919 HB3 ASP 115 HB3 ASP 115 6.114 -13.904 -18.929 920 H1 GLY 519 H1 GLY 519 9.692 11.854 22.110 921 H2 GLY 519 H2 GLY 519 9.059 11.665 23.666 922 H3 GLY 519 H3 GLY 519 8.484 10.706 22.397 923 HA2 GLY 519 HA2 GLY 519 10.647 9.646 22.176 924 HA3 GLY 519 HA3 GLY 519 11.239 10.639 23.500 925 H SER 520 H SER 520 9.073 8.030 22.608 926 HA SER 520 HA SER 520 8.948 7.202 25.436 927 HB2 SER 520 HB2 SER 520 6.721 7.733 24.780 928 HB3 SER 520 HB3 SER 520 6.909 6.927 23.223 929 HG SER 520 HG SER 520 6.080 5.268 24.200 930 HA PRO 521 HA PRO 521 11.251 3.617 23.993 931 HB2 PRO 521 HB2 PRO 521 11.054 2.081 26.239 932 HB3 PRO 521 HB3 PRO 521 12.134 3.468 26.104 933 HG2 PRO 521 HG2 PRO 521 9.519 3.300 27.379 934 HG3 PRO 521 HG3 PRO 521 10.854 4.091 27.888 935 HD2 PRO 521 HD2 PRO 521 8.867 5.286 26.796 936 HD3 PRO 521 HD3 PRO 521 10.394 5.861 26.715 937 H GLY 522 H GLY 522 7.931 3.463 24.972 938 HA2 GLY 522 HA2 GLY 522 6.709 2.003 23.219 939 HA3 GLY 522 HA3 GLY 522 7.644 0.714 23.961 940 H TYR 523 H TYR 523 6.060 -0.475 24.871 941 HA TYR 523 HA TYR 523 4.418 -1.167 26.265 942 HB2 TYR 523 HB2 TYR 523 5.322 1.152 27.991 943 HB3 TYR 523 HB3 TYR 523 4.341 -0.204 28.531 944 HD1 TYR 523 HD1 TYR 523 7.673 1.020 27.972 945 HD2 TYR 523 HD2 TYR 523 5.380 -2.530 28.489 946 HE1 TYR 523 HE1 TYR 523 9.724 -0.220 28.525 947 HE2 TYR 523 HE2 TYR 523 7.424 -3.776 29.047 948 HH TYR 523 HH TYR 523 10.378 -2.251 29.737 949 HA PRO 524 HA PRO 524 1.200 1.833 24.765 950 HB2 PRO 524 HB2 PRO 524 -0.511 -0.036 23.777 951 HB3 PRO 524 HB3 PRO 524 0.834 0.625 22.838 952 HG2 PRO 524 HG2 PRO 524 0.699 -1.946 24.244 953 HG3 PRO 524 HG3 PRO 524 1.371 -1.617 22.793 954 HD2 PRO 524 HD2 PRO 524 2.822 -1.842 24.956 955 HD3 PRO 524 HD3 PRO 524 3.282 -0.889 23.713 956 H ASN 525 H ASN 525 -0.259 2.583 26.147 957 HA ASN 525 HA ASN 525 -1.845 0.717 27.769 958 HB2 ASN 525 HB2 ASN 525 0.101 1.676 29.096 959 HB3 ASN 525 HB3 ASN 525 -0.640 3.257 28.903 960 HD21 ASN 525 HD21 ASN 525 -0.131 2.289 31.380 961 HD22 ASN 525 HD22 ASN 525 -1.606 1.896 32.188 962 H GLY 526 H GLY 526 -3.944 1.102 27.550 963 HA2 GLY 526 HA2 GLY 526 -5.717 2.819 27.880 964 HA3 GLY 526 HA3 GLY 526 -4.813 3.814 26.751 965 H LEU 527 H LEU 527 -4.217 2.039 24.752 966 HA LEU 527 HA LEU 527 -6.816 1.100 23.819 967 HB2 LEU 527 HB2 LEU 527 -4.868 2.720 22.195 968 HB3 LEU 527 HB3 LEU 527 -6.250 1.912 21.521 969 HG LEU 527 HG LEU 527 -6.893 3.856 23.637 970 HD11 LEU 527 HD11 LEU 527 -5.012 5.021 22.654 971 HD12 LEU 527 HD12 LEU 527 -6.537 5.837 22.311 972 HD13 LEU 527 HD13 LEU 527 -5.749 4.879 21.061 973 HD21 LEU 527 HD21 LEU 527 -7.913 3.322 20.864 974 HD22 LEU 527 HD22 LEU 527 -8.545 4.595 21.914 975 HD23 LEU 527 HD23 LEU 527 -8.671 2.904 22.401 976 H LEU 528 H LEU 528 -6.888 -0.694 22.607 977 HA LEU 528 HA LEU 528 -4.369 -1.990 21.842 978 HB2 LEU 528 HB2 LEU 528 -5.191 -3.042 23.918 979 HB3 LEU 528 HB3 LEU 528 -6.738 -3.346 23.165 980 HG LEU 528 HG LEU 528 -5.567 -4.874 21.542 981 HD11 LEU 528 HD11 LEU 528 -3.350 -5.729 22.177 982 HD12 LEU 528 HD12 LEU 528 -3.239 -4.486 23.423 983 HD13 LEU 528 HD13 LEU 528 -3.303 -4.026 21.723 984 HD21 LEU 528 HD21 LEU 528 -5.295 -6.706 23.187 985 HD22 LEU 528 HD22 LEU 528 -6.788 -5.790 23.396 986 HD23 LEU 528 HD23 LEU 528 -5.425 -5.516 24.482 987 H SER 529 H SER 529 -4.542 -1.553 19.702 988 HA SER 529 HA SER 529 -5.224 -1.560 17.541 989 HB2 SER 529 HB2 SER 529 -6.930 -3.914 18.388 990 HB3 SER 529 HB3 SER 529 -6.559 -3.470 16.724 991 HG SER 529 HG SER 529 -4.496 -4.084 17.003 992 H GLY 530 H GLY 530 -6.645 0.087 19.468 993 HA2 GLY 530 HA2 GLY 530 -9.346 0.252 18.295 994 HA3 GLY 530 HA3 GLY 530 -8.876 0.903 19.858 995 H ASP 531 H ASP 531 -6.328 1.772 18.176 996 HA ASP 531 HA ASP 531 -7.529 4.214 17.044 997 HB2 ASP 531 HB2 ASP 531 -5.747 5.559 18.034 998 HB3 ASP 531 HB3 ASP 531 -6.590 4.675 19.299 999 H GLU 532 H GLU 532 -6.151 1.534 16.163 1000 HA GLU 532 HA GLU 532 -3.992 2.546 14.504 1001 HB2 GLU 532 HB2 GLU 532 -5.033 -0.218 15.061 1002 HB3 GLU 532 HB3 GLU 532 -3.726 0.122 13.959 1003 HG2 GLU 532 HG2 GLU 532 -2.400 1.008 15.772 1004 HG3 GLU 532 HG3 GLU 532 -3.740 0.785 16.889 1005 H ASP 533 H ASP 533 -7.054 2.792 14.150 1006 HA ASP 533 HA ASP 533 -7.402 1.681 11.467 1007 HB2 ASP 533 HB2 ASP 533 -9.138 1.402 13.306 1008 HB3 ASP 533 HB3 ASP 533 -9.468 3.122 13.142 1009 H PHE 534 H PHE 534 -5.912 4.314 12.466 1010 HA PHE 534 HA PHE 534 -7.307 6.444 11.182 1011 HB2 PHE 534 HB2 PHE 534 -5.513 7.854 11.815 1012 HB3 PHE 534 HB3 PHE 534 -5.684 6.686 13.115 1013 HD1 PHE 534 HD1 PHE 534 -3.416 8.297 10.980 1014 HD2 PHE 534 HD2 PHE 534 -4.112 4.579 12.928 1015 HE1 PHE 534 HE1 PHE 534 -1.024 7.746 10.780 1016 HE2 PHE 534 HE2 PHE 534 -1.723 4.026 12.738 1017 HZ PHE 534 HZ PHE 534 -0.176 5.609 11.664 1018 H SER 535 H SER 535 -5.579 3.929 9.859 1019 HA SER 535 HA SER 535 -4.408 5.350 7.640 1020 HB2 SER 535 HB2 SER 535 -3.709 3.167 6.845 1021 HB3 SER 535 HB3 SER 535 -3.351 3.307 8.562 1022 HG SER 535 HG SER 535 -4.671 1.393 7.434 1023 H SER 536 H SER 536 -7.514 4.464 8.391 1024 HA SER 536 HA SER 536 -8.401 3.902 5.680 1025 HB2 SER 536 HB2 SER 536 -10.641 3.719 6.671 1026 HB3 SER 536 HB3 SER 536 -9.482 2.754 7.584 1027 HG SER 536 HG SER 536 -9.338 4.793 8.925 1028 H ILE 537 H ILE 537 -8.367 6.541 7.984 1029 HA ILE 537 HA ILE 537 -9.748 8.331 6.148 1030 HB ILE 537 HB ILE 537 -8.705 8.748 8.959 1031 HG12 ILE 537 HG12 ILE 537 -11.566 8.796 7.955 1032 HG13 ILE 537 HG13 ILE 537 -10.802 7.387 8.670 1033 HG21 ILE 537 HG21 ILE 537 -8.451 10.863 7.806 1034 HG22 ILE 537 HG22 ILE 537 -9.777 10.961 8.963 1035 HG23 ILE 537 HG23 ILE 537 -10.121 10.787 7.242 1036 HD11 ILE 537 HD11 ILE 537 -11.425 10.005 10.034 1037 HD12 ILE 537 HD12 ILE 537 -10.509 8.694 10.773 1038 HD13 ILE 537 HD13 ILE 537 -12.193 8.441 10.312 1039 H ALA 538 H ALA 538 -6.516 7.561 7.204 1040 HA ALA 538 HA ALA 538 -5.365 9.862 5.902 1041 HB1 ALA 538 HB1 ALA 538 -4.344 8.891 7.938 1042 HB2 ALA 538 HB2 ALA 538 -3.219 9.003 6.585 1043 HB3 ALA 538 HB3 ALA 538 -3.939 7.451 7.005 1044 H ASP 539 H ASP 539 -6.786 7.261 4.749 1045 HA ASP 539 HA ASP 539 -5.029 6.837 2.435 1046 HB2 ASP 539 HB2 ASP 539 -5.984 4.829 3.533 1047 HB3 ASP 539 HB3 ASP 539 -7.606 5.447 3.257 1048 H MET 540 H MET 540 -8.048 8.255 3.441 1049 HA MET 540 HA MET 540 -8.907 9.138 0.853 1050 HB2 MET 540 HB2 MET 540 -9.592 10.096 3.639 1051 HB3 MET 540 HB3 MET 540 -10.383 10.651 2.174 1052 HG2 MET 540 HG2 MET 540 -11.286 8.471 1.758 1053 HG3 MET 540 HG3 MET 540 -10.320 7.774 3.054 1054 HE1 MET 540 HE1 MET 540 -13.718 7.337 4.812 1055 HE2 MET 540 HE2 MET 540 -12.143 6.629 4.455 1056 HE3 MET 540 HE3 MET 540 -13.282 6.949 3.149 1057 H ASP 541 H ASP 541 -6.585 10.130 3.133 1058 HA ASP 541 HA ASP 541 -6.303 12.864 2.466 1059 HB2 ASP 541 HB2 ASP 541 -4.752 10.846 4.003 1060 HB3 ASP 541 HB3 ASP 541 -3.969 12.351 3.580 1061 H PHE 542 H PHE 542 -4.931 9.899 1.115 1062 HA PHE 542 HA PHE 542 -2.669 11.209 -0.062 1063 HB2 PHE 542 HB2 PHE 542 -2.746 8.793 0.643 1064 HB3 PHE 542 HB3 PHE 542 -3.698 8.478 -0.804 1065 HD1 PHE 542 HD1 PHE 542 -0.483 8.735 0.545 1066 HD2 PHE 542 HD2 PHE 542 -2.605 9.174 -3.082 1067 HE1 PHE 542 HE1 PHE 542 1.615 8.448 -0.691 1068 HE2 PHE 542 HE2 PHE 542 -0.519 8.901 -4.342 1069 HZ PHE 542 HZ PHE 542 1.511 8.614 -3.292 1070 H SER 543 H SER 543 -5.920 10.872 -1.067 1071 HA SER 543 HA SER 543 -5.444 10.776 -3.897 1072 HB2 SER 543 HB2 SER 543 -7.868 11.013 -4.111 1073 HB3 SER 543 HB3 SER 543 -7.471 9.812 -2.886 1074 HG SER 543 HG SER 543 -8.273 12.498 -2.448 1075 H ALA 544 H ALA 544 -5.479 13.289 -1.586 1076 HA ALA 544 HA ALA 544 -6.109 15.385 -3.511 1077 HB1 ALA 544 HB1 ALA 544 -5.354 15.592 -0.598 1078 HB2 ALA 544 HB2 ALA 544 -6.998 15.553 -1.236 1079 HB3 ALA 544 HB3 ALA 544 -5.935 16.908 -1.617 1080 H LEU 545 H LEU 545 -3.331 13.786 -2.259 1081 HA LEU 545 HA LEU 545 -1.485 15.961 -2.732 1082 HB2 LEU 545 HB2 LEU 545 -1.052 13.098 -1.930 1083 HB3 LEU 545 HB3 LEU 545 0.201 14.297 -2.036 1084 HG LEU 545 HG LEU 545 -2.113 14.402 -0.120 1085 HD11 LEU 545 HD11 LEU 545 -0.502 13.886 1.589 1086 HD12 LEU 545 HD12 LEU 545 0.793 13.830 0.396 1087 HD13 LEU 545 HD13 LEU 545 -0.486 12.617 0.373 1088 HD21 LEU 545 HD21 LEU 545 0.301 16.185 -0.426 1089 HD22 LEU 545 HD22 LEU 545 -0.798 16.217 0.953 1090 HD23 LEU 545 HD23 LEU 545 -1.390 16.640 -0.653 1091 H LEU 546 H LEU 546 -2.340 12.872 -4.238 1092 HA LEU 546 HA LEU 546 -0.155 13.045 -6.150 1093 HB2 LEU 546 HB2 LEU 546 -0.834 10.888 -5.125 1094 HB3 LEU 546 HB3 LEU 546 -2.383 11.013 -5.923 1095 HG LEU 546 HG LEU 546 -1.170 11.001 -8.112 1096 HD11 LEU 546 HD11 LEU 546 1.113 10.213 -8.190 1097 HD12 LEU 546 HD12 LEU 546 1.182 10.167 -6.425 1098 HD13 LEU 546 HD13 LEU 546 1.023 11.711 -7.261 1099 HD21 LEU 546 HD21 LEU 546 -0.685 8.565 -8.069 1100 HD22 LEU 546 HD22 LEU 546 -2.233 8.986 -7.336 1101 HD23 LEU 546 HD23 LEU 546 -0.854 8.604 -6.312 1102 H SER 547 H SER 547 -3.429 13.939 -5.933 1103 HA SER 547 HA SER 547 -3.643 14.405 -8.824 1104 HB2 SER 547 HB2 SER 547 -5.733 14.715 -6.647 1105 HB3 SER 547 HB3 SER 547 -6.013 14.926 -8.374 1106 HG SER 547 HG SER 547 -5.499 12.731 -8.662 1107 H GLN 548 H GLN 548 -4.108 16.167 -5.742 1108 HA GLN 548 HA GLN 548 -4.041 18.353 -5.156 1109 HB2 GLN 548 HB2 GLN 548 -1.612 17.942 -6.816 1110 HB3 GLN 548 HB3 GLN 548 -2.026 19.598 -6.403 1111 HG2 GLN 548 HG2 GLN 548 -2.058 18.943 -4.016 1112 HG3 GLN 548 HG3 GLN 548 -1.487 17.339 -4.475 1113 HE21 GLN 548 HE21 GLN 548 0.631 17.086 -5.168 1114 HE22 GLN 548 HE22 GLN 548 1.832 18.311 -4.957 1115 H ILE 549 H ILE 549 -5.874 19.321 -5.760 1116 HA ILE 549 HA ILE 549 -5.934 20.650 -8.395 1117 HB ILE 549 HB ILE 549 -8.262 19.696 -6.699 1118 HG12 ILE 549 HG12 ILE 549 -7.526 18.830 -9.514 1119 HG13 ILE 549 HG13 ILE 549 -7.054 17.946 -8.074 1120 HG21 ILE 549 HG21 ILE 549 -9.751 20.500 -8.486 1121 HG22 ILE 549 HG22 ILE 549 -8.368 21.233 -9.297 1122 HG23 ILE 549 HG23 ILE 549 -8.867 21.814 -7.708 1123 HD11 ILE 549 HD11 ILE 549 -9.434 17.546 -7.569 1124 HD12 ILE 549 HD12 ILE 549 -8.958 16.899 -9.139 1125 HD13 ILE 549 HD13 ILE 549 -9.875 18.402 -9.048 1126 H SER 550 H SER 550 -5.766 22.779 -8.355 1127 HA SER 550 HA SER 550 -6.513 24.243 -5.908 1128 HB2 SER 550 HB2 SER 550 -4.118 24.362 -6.187 1129 HB3 SER 550 HB3 SER 550 -4.289 24.811 -7.882 1130 HG SER 550 HG SER 550 -4.937 26.346 -5.592 1131 H SER 551 H SER 551 -7.896 25.902 -6.066 1132 HA SER 551 HA SER 551 -8.866 26.624 -8.750 1133 HB2 SER 551 HB2 SER 551 -10.557 25.519 -7.334 1134 HB3 SER 551 HB3 SER 551 -10.336 26.757 -6.100 1135 HG SER 551 HG SER 551 -10.824 28.010 -8.368 Start of MODEL 13 1 H2 PRO 1 H2 PRO 1 19.128 1.482 -7.329 2 H3 PRO 1 H1 PRO 1 20.428 0.564 -6.968 3 HA PRO 1 HA PRO 1 17.686 0.032 -6.706 4 HB2 PRO 1 HB2 PRO 1 19.314 -2.401 -7.301 5 HB3 PRO 1 HB3 PRO 1 17.572 -2.125 -7.516 6 HG2 PRO 1 HG2 PRO 1 19.306 -1.933 -9.535 7 HG3 PRO 1 HG3 PRO 1 17.933 -1.051 -9.485 8 HD2 PRO 1 HD2 PRO 1 20.589 -0.135 -9.123 9 HD3 PRO 1 HD3 PRO 1 19.275 0.753 -9.515 10 H SER 2 H SER 2 17.352 -0.554 -4.635 11 HA SER 2 HA SER 2 19.688 -1.328 -3.016 12 HB2 SER 2 HB2 SER 2 18.760 0.014 -1.144 13 HB3 SER 2 HB3 SER 2 19.176 1.007 -2.539 14 HG SER 2 HG SER 2 17.014 1.153 -3.059 15 H HIS 3 H HIS 3 16.166 -1.454 -3.379 16 HA HIS 3 HA HIS 3 14.598 -3.015 -2.887 17 HB2 HIS 3 HB2 HIS 3 16.925 -4.811 -2.225 18 HB3 HIS 3 HB3 HIS 3 15.272 -5.340 -2.304 19 HD1 HIS 3 HD1 HIS 3 17.240 -6.702 -4.119 20 HD2 HIS 3 HD2 HIS 3 15.162 -3.274 -5.221 21 HE1 HIS 3 HE1 HIS 3 17.238 -6.697 -6.634 22 HE2 HIS 3 HE2 HIS 3 16.039 -4.579 -7.277 23 H SER 4 H SER 4 16.955 -2.257 -0.462 24 HA SER 4 HA SER 4 14.894 -2.560 1.593 25 HB2 SER 4 HB2 SER 4 16.369 -4.514 1.793 26 HB3 SER 4 HB3 SER 4 17.769 -3.452 1.913 27 HG SER 4 HG SER 4 17.239 -2.956 3.924 28 H GLY 5 H GLY 5 14.829 -1.016 3.126 29 HA2 GLY 5 HA2 GLY 5 16.994 0.925 3.351 30 HA3 GLY 5 HA3 GLY 5 15.442 1.533 2.809 31 H ALA 6 H ALA 6 14.249 2.394 4.346 32 HA ALA 6 HA ALA 6 13.943 1.012 6.900 33 HB1 ALA 6 HB1 ALA 6 14.636 3.947 6.760 34 HB2 ALA 6 HB2 ALA 6 15.700 2.658 7.330 35 HB3 ALA 6 HB3 ALA 6 14.223 3.036 8.215 36 H ALA 7 H ALA 7 11.828 0.936 7.459 37 HA ALA 7 HA ALA 7 9.992 3.005 6.505 38 HB1 ALA 7 HB1 ALA 7 9.980 1.353 4.735 39 HB2 ALA 7 HB2 ALA 7 8.433 1.358 5.583 40 HB3 ALA 7 HB3 ALA 7 9.606 0.085 5.900 41 H ILE 8 H ILE 8 7.958 3.057 7.563 42 HA ILE 8 HA ILE 8 7.808 1.561 10.105 43 HB ILE 8 HB ILE 8 6.598 4.264 9.430 44 HG12 ILE 8 HG12 ILE 8 8.737 3.645 11.469 45 HG13 ILE 8 HG13 ILE 8 9.092 4.186 9.844 46 HG21 ILE 8 HG21 ILE 8 5.136 3.010 10.938 47 HG22 ILE 8 HG22 ILE 8 5.878 4.376 11.770 48 HG23 ILE 8 HG23 ILE 8 6.490 2.744 12.040 49 HD11 ILE 8 HD11 ILE 8 7.472 5.740 11.842 50 HD12 ILE 8 HD12 ILE 8 8.037 6.297 10.266 51 HD13 ILE 8 HD13 ILE 8 9.197 5.965 11.550 52 H PHE 9 H PHE 9 5.953 0.444 10.576 53 HA PHE 9 HA PHE 9 3.654 0.597 8.774 54 HB2 PHE 9 HB2 PHE 9 5.182 -1.181 7.892 55 HB3 PHE 9 HB3 PHE 9 5.024 -2.035 9.417 56 HD1 PHE 9 HD1 PHE 9 3.179 -0.898 6.416 57 HD2 PHE 9 HD2 PHE 9 3.170 -3.441 9.831 58 HE1 PHE 9 HE1 PHE 9 1.207 -2.068 5.536 59 HE2 PHE 9 HE2 PHE 9 1.197 -4.616 8.955 60 HZ PHE 9 HZ PHE 9 0.212 -3.930 6.803 61 H GLU 10 H GLU 10 1.895 0.751 9.956 62 HA GLU 10 HA GLU 10 0.414 0.740 11.668 63 HB2 GLU 10 HB2 GLU 10 1.820 -1.826 12.408 64 HB3 GLU 10 HB3 GLU 10 0.327 -1.270 13.148 65 HG2 GLU 10 HG2 GLU 10 -0.645 -1.244 10.812 66 HG3 GLU 10 HG3 GLU 10 0.789 -2.136 10.312 67 H LYS 11 H LYS 11 2.643 2.327 11.990 68 HA LYS 11 HA LYS 11 3.426 3.852 13.469 69 HB2 LYS 11 HB2 LYS 11 1.828 2.431 15.600 70 HB3 LYS 11 HB3 LYS 11 2.541 4.033 15.725 71 HG2 LYS 11 HG2 LYS 11 1.087 4.809 13.907 72 HG3 LYS 11 HG3 LYS 11 0.358 3.214 13.808 73 HD2 LYS 11 HD2 LYS 11 -0.457 3.450 16.102 74 HD3 LYS 11 HD3 LYS 11 0.275 5.051 16.206 75 HE2 LYS 11 HE2 LYS 11 -2.059 5.328 15.754 76 HE3 LYS 11 HE3 LYS 11 -1.157 5.757 14.304 77 HZ1 LYS 11 HZ1 LYS 11 -3.089 4.405 13.778 78 HZ2 LYS 11 HZ2 LYS 11 -2.531 3.167 14.785 79 HZ3 LYS 11 HZ3 LYS 11 -1.666 3.575 13.390 80 H VAL 12 H VAL 12 4.143 0.580 13.747 81 HA VAL 12 HA VAL 12 6.333 1.043 15.631 82 HB VAL 12 HB VAL 12 5.455 -1.534 14.287 83 HG11 VAL 12 HG11 VAL 12 7.580 -1.111 16.361 84 HG12 VAL 12 HG12 VAL 12 7.801 -1.661 14.701 85 HG13 VAL 12 HG13 VAL 12 6.952 -2.677 15.858 86 HG21 VAL 12 HG21 VAL 12 3.826 -0.793 15.941 87 HG22 VAL 12 HG22 VAL 12 5.099 -0.673 17.157 88 HG23 VAL 12 HG23 VAL 12 4.666 -2.245 16.485 89 H SER 13 H SER 13 8.331 1.513 14.982 90 HA SER 13 HA SER 13 8.813 1.820 12.149 91 HB2 SER 13 HB2 SER 13 9.481 3.667 13.547 92 HB3 SER 13 HB3 SER 13 10.459 2.599 14.557 93 HG SER 13 HG SER 13 10.941 2.937 11.789 94 H GLY 14 H GLY 14 10.230 0.792 10.904 95 HA2 GLY 14 HA2 GLY 14 12.016 -1.210 12.021 96 HA3 GLY 14 HA3 GLY 14 10.682 -1.835 11.071 97 H ILE 15 H ILE 15 12.261 -2.732 9.696 98 HA ILE 15 HA ILE 15 13.357 -0.805 7.756 99 HB ILE 15 HB ILE 15 14.630 -3.298 8.889 100 HG12 ILE 15 HG12 ILE 15 16.110 -0.722 8.548 101 HG13 ILE 15 HG13 ILE 15 14.916 -0.838 9.821 102 HG21 ILE 15 HG21 ILE 15 16.487 -3.062 7.277 103 HG22 ILE 15 HG22 ILE 15 15.533 -1.866 6.399 104 HG23 ILE 15 HG23 ILE 15 14.960 -3.530 6.528 105 HD11 ILE 15 HD11 ILE 15 16.164 -2.787 10.735 106 HD12 ILE 15 HD12 ILE 15 17.052 -1.264 10.760 107 HD13 ILE 15 HD13 ILE 15 17.419 -2.473 9.532 108 H ILE 16 H ILE 16 12.991 -1.253 5.618 109 HA ILE 16 HA ILE 16 11.188 -3.493 5.056 110 HB ILE 16 HB ILE 16 11.128 -0.751 4.344 111 HG12 ILE 16 HG12 ILE 16 9.402 -3.113 4.289 112 HG13 ILE 16 HG13 ILE 16 9.047 -1.471 4.794 113 HG21 ILE 16 HG21 ILE 16 12.453 -1.555 2.285 114 HG22 ILE 16 HG22 ILE 16 11.017 -0.563 2.026 115 HG23 ILE 16 HG23 ILE 16 10.931 -2.312 1.787 116 HD11 ILE 16 HD11 ILE 16 7.590 -1.948 3.008 117 HD12 ILE 16 HD12 ILE 16 8.887 -2.623 2.025 118 HD13 ILE 16 HD13 ILE 16 8.834 -0.892 2.344 119 H ALA 17 H ALA 17 11.648 -5.058 3.587 120 HA ALA 17 HA ALA 17 14.031 -4.788 1.893 121 HB1 ALA 17 HB1 ALA 17 13.449 -7.207 3.603 122 HB2 ALA 17 HB2 ALA 17 14.747 -6.041 3.863 123 HB3 ALA 17 HB3 ALA 17 14.756 -7.066 2.427 124 H ILE 18 H ILE 18 13.866 -5.705 -0.127 125 HA ILE 18 HA ILE 18 11.272 -6.892 -0.822 126 HB ILE 18 HB ILE 18 13.454 -5.835 -2.638 127 HG12 ILE 18 HG12 ILE 18 10.676 -4.767 -2.168 128 HG13 ILE 18 HG13 ILE 18 12.091 -4.156 -1.332 129 HG21 ILE 18 HG21 ILE 18 12.297 -7.708 -3.687 130 HG22 ILE 18 HG22 ILE 18 11.935 -6.187 -4.499 131 HG23 ILE 18 HG23 ILE 18 10.747 -6.911 -3.410 132 HD11 ILE 18 HD11 ILE 18 13.003 -3.670 -3.677 133 HD12 ILE 18 HD12 ILE 18 11.724 -2.633 -3.048 134 HD13 ILE 18 HD13 ILE 18 11.336 -3.898 -4.219 135 H ASN 19 H ASN 19 11.038 -8.942 -1.262 136 HA ASN 19 HA ASN 19 13.334 -10.741 -1.323 137 HB2 ASN 19 HB2 ASN 19 10.970 -10.855 0.075 138 HB3 ASN 19 HB3 ASN 19 10.626 -11.904 -1.291 139 HD21 ASN 19 HD21 ASN 19 10.538 -13.157 0.954 140 HD22 ASN 19 HD22 ASN 19 11.952 -14.097 1.270 141 H GLU 20 H GLU 20 14.097 -10.949 -3.341 142 HA GLU 20 HA GLU 20 12.247 -11.949 -5.401 143 HB2 GLU 20 HB2 GLU 20 14.776 -10.352 -5.861 144 HB3 GLU 20 HB3 GLU 20 13.795 -11.058 -7.126 145 HG2 GLU 20 HG2 GLU 20 11.953 -9.566 -6.490 146 HG3 GLU 20 HG3 GLU 20 12.960 -8.878 -5.226 147 H ASP 21 H ASP 21 13.563 -13.340 -7.088 148 HA ASP 21 HA ASP 21 14.634 -15.305 -7.511 149 HB2 ASP 21 HB2 ASP 21 16.255 -14.707 -5.055 150 HB3 ASP 21 HB3 ASP 21 16.571 -16.021 -6.169 151 H VAL 22 H VAL 22 12.700 -14.712 -5.064 152 HA VAL 22 HA VAL 22 12.426 -17.457 -4.079 153 HB VAL 22 HB VAL 22 10.709 -16.413 -2.508 154 HG11 VAL 22 HG11 VAL 22 13.550 -15.439 -2.281 155 HG12 VAL 22 HG12 VAL 22 12.949 -17.022 -1.780 156 HG13 VAL 22 HG13 VAL 22 12.388 -15.564 -0.959 157 HG21 VAL 22 HG21 VAL 22 10.279 -14.315 -3.724 158 HG22 VAL 22 HG22 VAL 22 11.942 -13.803 -3.427 159 HG23 VAL 22 HG23 VAL 22 10.826 -14.000 -2.076 160 H SER 23 H SER 23 9.806 -17.740 -3.584 161 HA SER 23 HA SER 23 8.513 -17.912 -6.142 162 HB2 SER 23 HB2 SER 23 6.692 -18.882 -4.890 163 HB3 SER 23 HB3 SER 23 8.178 -19.452 -4.134 164 HG SER 23 HG SER 23 7.342 -17.123 -3.041 165 HA PRO 24 HA PRO 24 6.979 -14.503 -7.463 166 HB2 PRO 24 HB2 PRO 24 4.443 -14.064 -5.930 167 HB3 PRO 24 HB3 PRO 24 4.750 -13.885 -7.661 168 HG2 PRO 24 HG2 PRO 24 3.567 -16.022 -6.761 169 HG3 PRO 24 HG3 PRO 24 4.659 -16.152 -7.969 170 HD2 PRO 24 HD2 PRO 24 4.953 -16.955 -5.258 171 HD3 PRO 24 HD3 PRO 24 5.672 -17.594 -6.577 172 H ALA 25 H ALA 25 7.872 -12.591 -7.163 173 HA ALA 25 HA ALA 25 9.210 -12.070 -4.835 174 HB1 ALA 25 HB1 ALA 25 9.982 -11.245 -6.969 175 HB2 ALA 25 HB2 ALA 25 9.849 -9.917 -5.814 176 HB3 ALA 25 HB3 ALA 25 8.616 -10.133 -7.055 177 H GLU 26 H GLU 26 9.149 -10.726 -3.214 178 HA GLU 26 HA GLU 26 6.505 -9.676 -2.577 179 HB2 GLU 26 HB2 GLU 26 8.152 -10.871 -0.414 180 HB3 GLU 26 HB3 GLU 26 6.431 -10.800 -0.571 181 HG2 GLU 26 HG2 GLU 26 6.380 -12.652 -2.054 182 HG3 GLU 26 HG3 GLU 26 8.130 -12.624 -2.232 183 H LEU 27 H LEU 27 6.558 -8.310 -0.554 184 HA LEU 27 HA LEU 27 9.042 -6.769 -0.245 185 HB2 LEU 27 HB2 LEU 27 7.440 -5.493 -1.559 186 HB3 LEU 27 HB3 LEU 27 6.210 -5.740 -0.382 187 HG LEU 27 HG LEU 27 7.628 -4.332 1.180 188 HD11 LEU 27 HD11 LEU 27 9.217 -2.816 0.320 189 HD12 LEU 27 HD12 LEU 27 8.967 -3.404 -1.323 190 HD13 LEU 27 HD13 LEU 27 9.711 -4.452 -0.115 191 HD21 LEU 27 HD21 LEU 27 6.889 -2.178 0.146 192 HD22 LEU 27 HD22 LEU 27 5.639 -3.398 0.365 193 HD23 LEU 27 HD23 LEU 27 6.332 -3.130 -1.232 194 H THR 28 H THR 28 9.797 -7.235 1.722 195 HA THR 28 HA THR 28 7.872 -8.040 3.796 196 HB THR 28 HB THR 28 10.786 -8.833 3.544 197 HG1 THR 28 HG1 THR 28 8.406 -9.940 2.627 198 HG21 THR 28 HG21 THR 28 10.091 -8.830 5.885 199 HG22 THR 28 HG22 THR 28 10.239 -10.491 5.307 200 HG23 THR 28 HG23 THR 28 8.643 -9.758 5.474 201 H TRP 29 H TRP 29 7.480 -6.422 5.137 202 HA TRP 29 HA TRP 29 9.604 -4.682 6.091 203 HB2 TRP 29 HB2 TRP 29 7.425 -3.642 5.765 204 HB3 TRP 29 HB3 TRP 29 6.658 -4.838 6.795 205 HD1 TRP 29 HD1 TRP 29 8.708 -1.632 6.949 206 HE1 TRP 29 HE1 TRP 29 8.732 -0.735 9.360 207 HE3 TRP 29 HE3 TRP 29 6.478 -5.588 9.325 208 HZ2 TRP 29 HZ2 TRP 29 7.909 -1.582 11.924 209 HZ3 TRP 29 HZ3 TRP 29 6.140 -5.453 11.762 210 HH2 TRP 29 HH2 TRP 29 6.842 -3.488 13.027 211 H ARG 30 H ARG 30 10.703 -4.964 7.908 212 HA ARG 30 HA ARG 30 9.663 -6.825 9.933 213 HB2 ARG 30 HB2 ARG 30 12.551 -6.479 9.112 214 HB3 ARG 30 HB3 ARG 30 11.994 -7.430 10.476 215 HG2 ARG 30 HG2 ARG 30 10.763 -8.893 8.958 216 HG3 ARG 30 HG3 ARG 30 11.363 -7.955 7.596 217 HD2 ARG 30 HD2 ARG 30 13.014 -9.478 9.570 218 HD3 ARG 30 HD3 ARG 30 12.670 -9.986 7.924 219 HE ARG 30 HE ARG 30 14.529 -7.915 8.773 220 HH11 ARG 30 HH11 ARG 30 12.902 -9.463 6.068 221 HH12 ARG 30 HH12 ARG 30 14.019 -8.842 4.897 222 HH21 ARG 30 HH21 ARG 30 15.972 -7.116 7.221 223 HH22 ARG 30 HH22 ARG 30 15.753 -7.517 5.550 224 H SER 31 H SER 31 10.389 -6.338 12.140 225 HA SER 31 HA SER 31 10.217 -3.562 12.731 226 HB2 SER 31 HB2 SER 31 10.364 -4.212 15.055 227 HB3 SER 31 HB3 SER 31 9.389 -5.405 14.206 228 HG SER 31 HG SER 31 10.989 -6.267 15.682 229 H THR 32 H THR 32 11.959 -2.471 14.238 230 HA THR 32 HA THR 32 14.327 -2.168 12.789 231 HB THR 32 HB THR 32 15.251 -1.142 14.986 232 HG1 THR 32 HG1 THR 32 12.495 -1.458 15.656 233 HG21 THR 32 HG21 THR 32 14.349 0.106 13.026 234 HG22 THR 32 HG22 THR 32 14.045 0.907 14.570 235 HG23 THR 32 HG23 THR 32 12.745 0.030 13.763 236 H ASP 33 H ASP 33 13.628 -4.400 15.405 237 HA ASP 33 HA ASP 33 16.309 -5.576 15.158 238 HB2 ASP 33 HB2 ASP 33 14.050 -6.232 17.068 239 HB3 ASP 33 HB3 ASP 33 15.620 -7.025 17.055 240 H GLY 34 H GLY 34 12.942 -6.130 14.441 241 HA2 GLY 34 HA2 GLY 34 12.268 -7.347 12.519 242 HA3 GLY 34 HA3 GLY 34 13.664 -8.390 12.696 243 H ASP 35 H ASP 35 11.925 -7.714 15.598 244 HA ASP 35 HA ASP 35 11.045 -10.390 15.934 245 HB2 ASP 35 HB2 ASP 35 10.064 -9.617 18.009 246 HB3 ASP 35 HB3 ASP 35 11.654 -8.904 17.824 247 H LYS 36 H LYS 36 9.547 -7.500 14.677 248 HA LYS 36 HA LYS 36 7.046 -8.981 14.178 249 HB2 LYS 36 HB2 LYS 36 7.628 -6.022 14.183 250 HB3 LYS 36 HB3 LYS 36 6.108 -6.693 13.656 251 HG2 LYS 36 HG2 LYS 36 5.411 -7.114 15.768 252 HG3 LYS 36 HG3 LYS 36 7.032 -7.458 16.355 253 HD2 LYS 36 HD2 LYS 36 6.258 -4.716 15.514 254 HD3 LYS 36 HD3 LYS 36 5.825 -5.300 17.124 255 HE2 LYS 36 HE2 LYS 36 8.573 -5.901 16.576 256 HE3 LYS 36 HE3 LYS 36 8.255 -4.204 16.263 257 HZ1 LYS 36 HZ1 LYS 36 7.346 -3.982 18.486 258 HZ2 LYS 36 HZ2 LYS 36 8.936 -4.559 18.550 259 HZ3 LYS 36 HZ3 LYS 36 7.641 -5.619 18.794 260 H VAL 37 H VAL 37 6.282 -9.163 12.071 261 HA VAL 37 HA VAL 37 7.860 -8.074 9.894 262 HB VAL 37 HB VAL 37 9.161 -10.039 10.443 263 HG11 VAL 37 HG11 VAL 37 7.511 -11.436 11.530 264 HG12 VAL 37 HG12 VAL 37 8.307 -12.326 10.232 265 HG13 VAL 37 HG13 VAL 37 6.679 -11.691 9.994 266 HG21 VAL 37 HG21 VAL 37 9.426 -10.935 8.303 267 HG22 VAL 37 HG22 VAL 37 8.743 -9.329 8.034 268 HG23 VAL 37 HG23 VAL 37 7.713 -10.756 7.918 269 H HIS 38 H HIS 38 6.739 -7.751 8.063 270 HA HIS 38 HA HIS 38 4.160 -9.107 7.638 271 HB2 HIS 38 HB2 HIS 38 4.697 -6.137 7.311 272 HB3 HIS 38 HB3 HIS 38 3.229 -6.949 6.783 273 HD1 HIS 38 HD1 HIS 38 1.562 -7.704 8.635 274 HD2 HIS 38 HD2 HIS 38 4.857 -5.602 10.051 275 HE1 HIS 38 HE1 HIS 38 1.000 -7.090 11.008 276 HE2 HIS 38 HE2 HIS 38 3.045 -5.900 11.873 277 H THR 39 H THR 39 3.629 -9.456 5.409 278 HA THR 39 HA THR 39 5.847 -8.954 3.534 279 HB THR 39 HB THR 39 4.401 -11.587 3.908 280 HG1 THR 39 HG1 THR 39 6.290 -10.808 5.299 281 HG21 THR 39 HG21 THR 39 6.541 -10.858 1.898 282 HG22 THR 39 HG22 THR 39 4.854 -11.212 1.524 283 HG23 THR 39 HG23 THR 39 5.899 -12.476 2.173 284 H VAL 40 H VAL 40 5.309 -8.136 1.641 285 HA VAL 40 HA VAL 40 2.514 -8.288 0.688 286 HB VAL 40 HB VAL 40 4.564 -6.238 -0.152 287 HG11 VAL 40 HG11 VAL 40 2.307 -6.538 -1.405 288 HG12 VAL 40 HG12 VAL 40 2.847 -4.913 -0.973 289 HG13 VAL 40 HG13 VAL 40 1.626 -5.721 0.007 290 HG21 VAL 40 HG21 VAL 40 2.696 -5.991 2.172 291 HG22 VAL 40 HG22 VAL 40 3.677 -4.691 1.494 292 HG23 VAL 40 HG23 VAL 40 4.457 -6.089 2.233 293 H VAL 41 H VAL 41 2.446 -9.978 -0.778 294 HA VAL 41 HA VAL 41 4.636 -10.511 -2.591 295 HB VAL 41 HB VAL 41 1.845 -11.747 -2.479 296 HG11 VAL 41 HG11 VAL 41 4.299 -12.638 -4.015 297 HG12 VAL 41 HG12 VAL 41 2.812 -11.997 -4.707 298 HG13 VAL 41 HG13 VAL 41 2.795 -13.550 -3.872 299 HG21 VAL 41 HG21 VAL 41 4.513 -12.757 -1.461 300 HG22 VAL 41 HG22 VAL 41 3.005 -13.680 -1.464 301 HG23 VAL 41 HG23 VAL 41 3.149 -12.227 -0.474 302 H LEU 42 H LEU 42 4.857 -9.518 -4.552 303 HA LEU 42 HA LEU 42 3.016 -7.435 -5.170 304 HB2 LEU 42 HB2 LEU 42 5.535 -8.315 -6.557 305 HB3 LEU 42 HB3 LEU 42 4.518 -7.066 -7.216 306 HG LEU 42 HG LEU 42 6.310 -5.973 -6.124 307 HD11 LEU 42 HD11 LEU 42 5.243 -4.567 -4.577 308 HD12 LEU 42 HD12 LEU 42 4.100 -5.817 -4.114 309 HD13 LEU 42 HD13 LEU 42 3.999 -5.078 -5.713 310 HD21 LEU 42 HD21 LEU 42 7.070 -7.840 -4.733 311 HD22 LEU 42 HD22 LEU 42 5.713 -7.554 -3.638 312 HD23 LEU 42 HD23 LEU 42 6.964 -6.327 -3.830 313 H SER 43 H SER 43 3.358 -10.666 -6.379 314 HA SER 43 HA SER 43 1.994 -10.304 -8.861 315 HB2 SER 43 HB2 SER 43 1.817 -12.719 -8.924 316 HB3 SER 43 HB3 SER 43 3.388 -12.296 -8.258 317 HG SER 43 HG SER 43 2.819 -13.040 -6.340 318 H THR 44 H THR 44 0.993 -9.875 -5.757 319 HA THR 44 HA THR 44 -1.852 -10.325 -6.381 320 HB THR 44 HB THR 44 -2.288 -10.460 -3.988 321 HG1 THR 44 HG1 THR 44 0.459 -9.817 -3.754 322 HG21 THR 44 HG21 THR 44 0.055 -12.213 -4.711 323 HG22 THR 44 HG22 THR 44 -1.639 -12.552 -5.082 324 HG23 THR 44 HG23 THR 44 -1.091 -12.515 -3.404 325 H ILE 45 H ILE 45 0.331 -8.021 -6.564 326 HA ILE 45 HA ILE 45 -1.295 -5.839 -5.417 327 HB ILE 45 HB ILE 45 1.678 -5.918 -5.991 328 HG12 ILE 45 HG12 ILE 45 1.091 -7.240 -4.007 329 HG13 ILE 45 HG13 ILE 45 2.012 -5.816 -3.562 330 HG21 ILE 45 HG21 ILE 45 1.936 -3.733 -5.135 331 HG22 ILE 45 HG22 ILE 45 0.257 -3.669 -4.592 332 HG23 ILE 45 HG23 ILE 45 0.626 -3.660 -6.316 333 HD11 ILE 45 HD11 ILE 45 -0.974 -6.120 -3.263 334 HD12 ILE 45 HD12 ILE 45 -0.011 -4.740 -2.737 335 HD13 ILE 45 HD13 ILE 45 0.208 -6.315 -1.977 336 H ASP 46 H ASP 46 -1.790 -4.076 -6.702 337 HA ASP 46 HA ASP 46 -1.366 -4.471 -9.588 338 HB2 ASP 46 HB2 ASP 46 -3.701 -4.735 -8.832 339 HB3 ASP 46 HB3 ASP 46 -3.687 -3.109 -8.189 340 H LYS 47 H LYS 47 -1.640 -1.931 -7.081 341 HA LYS 47 HA LYS 47 -0.066 -0.160 -8.795 342 HB2 LYS 47 HB2 LYS 47 -2.555 0.513 -7.210 343 HB3 LYS 47 HB3 LYS 47 -1.503 1.722 -7.924 344 HG2 LYS 47 HG2 LYS 47 -1.916 0.745 -10.109 345 HG3 LYS 47 HG3 LYS 47 -3.007 -0.399 -9.366 346 HD2 LYS 47 HD2 LYS 47 -4.476 1.418 -8.649 347 HD3 LYS 47 HD3 LYS 47 -3.362 2.599 -9.330 348 HE2 LYS 47 HE2 LYS 47 -5.001 2.434 -10.962 349 HE3 LYS 47 HE3 LYS 47 -3.746 1.357 -11.557 350 HZ1 LYS 47 HZ1 LYS 47 -5.940 0.352 -11.742 351 HZ2 LYS 47 HZ2 LYS 47 -6.168 0.491 -10.072 352 HZ3 LYS 47 HZ3 LYS 47 -4.959 -0.526 -10.677 353 H LEU 48 H LEU 48 0.833 1.755 -7.569 354 HA LEU 48 HA LEU 48 1.267 1.397 -4.695 355 HB2 LEU 48 HB2 LEU 48 3.706 1.932 -6.371 356 HB3 LEU 48 HB3 LEU 48 3.619 1.329 -4.739 357 HG LEU 48 HG LEU 48 2.740 -0.337 -7.072 358 HD11 LEU 48 HD11 LEU 48 4.860 -0.424 -7.761 359 HD12 LEU 48 HD12 LEU 48 5.193 -1.302 -6.264 360 HD13 LEU 48 HD13 LEU 48 5.445 0.440 -6.342 361 HD21 LEU 48 HD21 LEU 48 3.707 -1.006 -4.316 362 HD22 LEU 48 HD22 LEU 48 3.143 -2.135 -5.547 363 HD23 LEU 48 HD23 LEU 48 2.016 -0.982 -4.830 364 H GLN 49 H GLN 49 1.450 3.388 -3.663 365 HA GLN 49 HA GLN 49 1.877 5.782 -5.322 366 HB2 GLN 49 HB2 GLN 49 -0.433 5.398 -3.386 367 HB3 GLN 49 HB3 GLN 49 0.023 6.942 -4.076 368 HG2 GLN 49 HG2 GLN 49 -0.424 6.051 -6.329 369 HG3 GLN 49 HG3 GLN 49 -0.954 4.535 -5.615 370 HE21 GLN 49 HE21 GLN 49 -2.192 7.004 -7.162 371 HE22 GLN 49 HE22 GLN 49 -3.679 7.247 -6.321 372 H ALA 50 H ALA 50 3.490 6.956 -4.490 373 HA ALA 50 HA ALA 50 4.028 6.811 -1.595 374 HB1 ALA 50 HB1 ALA 50 5.903 7.389 -3.875 375 HB2 ALA 50 HB2 ALA 50 5.821 5.900 -2.925 376 HB3 ALA 50 HB3 ALA 50 6.348 7.403 -2.168 377 H THR 51 H THR 51 4.378 8.659 -0.384 378 HA THR 51 HA THR 51 3.126 11.077 -1.106 379 HB THR 51 HB THR 51 4.149 12.072 0.905 380 HG1 THR 51 HG1 THR 51 6.164 10.823 0.695 381 HG21 THR 51 HG21 THR 51 2.915 9.327 1.157 382 HG22 THR 51 HG22 THR 51 2.143 10.902 1.373 383 HG23 THR 51 HG23 THR 51 3.300 10.309 2.565 384 HA PRO 52 HA PRO 52 6.373 12.952 -3.753 385 HB2 PRO 52 HB2 PRO 52 4.816 15.389 -3.034 386 HB3 PRO 52 HB3 PRO 52 5.383 14.846 -4.615 387 HG2 PRO 52 HG2 PRO 52 2.878 14.575 -3.949 388 HG3 PRO 52 HG3 PRO 52 3.619 13.403 -4.812 389 HD2 PRO 52 HD2 PRO 52 2.935 13.322 -1.985 390 HD3 PRO 52 HD3 PRO 52 2.947 12.065 -3.027 391 H ALA 53 H ALA 53 8.002 14.616 -3.532 392 HA ALA 53 HA ALA 53 9.091 14.858 -0.906 393 HB1 ALA 53 HB1 ALA 53 10.480 14.658 -2.927 394 HB2 ALA 53 HB2 ALA 53 10.895 16.080 -1.971 395 HB3 ALA 53 HB3 ALA 53 9.938 16.255 -3.442 396 H SER 54 H SER 54 6.794 16.682 -2.580 397 HA SER 54 HA SER 54 7.230 19.117 -1.021 398 HB2 SER 54 HB2 SER 54 5.436 20.070 -2.386 399 HB3 SER 54 HB3 SER 54 6.669 19.348 -3.418 400 HG SER 54 HG SER 54 4.033 18.724 -3.155 401 H SER 55 H SER 55 5.427 16.229 -0.930 402 HA SER 55 HA SER 55 3.115 17.097 0.449 403 HB2 SER 55 HB2 SER 55 3.047 15.061 -0.783 404 HB3 SER 55 HB3 SER 55 4.348 14.361 0.183 405 HG SER 55 HG SER 55 1.784 15.142 1.125 406 H GLU 56 H GLU 56 2.637 17.311 2.500 407 HA GLU 56 HA GLU 56 4.362 17.650 4.634 408 HB2 GLU 56 HB2 GLU 56 1.960 18.300 4.489 409 HB3 GLU 56 HB3 GLU 56 1.529 16.624 4.766 410 HG2 GLU 56 HG2 GLU 56 2.546 16.702 6.944 411 HG3 GLU 56 HG3 GLU 56 3.096 18.340 6.666 412 H LYS 57 H LYS 57 2.992 14.787 3.350 413 HA LYS 57 HA LYS 57 3.445 13.127 5.666 414 HB2 LYS 57 HB2 LYS 57 2.088 12.839 3.024 415 HB3 LYS 57 HB3 LYS 57 2.385 11.452 4.022 416 HG2 LYS 57 HG2 LYS 57 1.082 12.485 5.797 417 HG3 LYS 57 HG3 LYS 57 0.763 13.850 4.769 418 HD2 LYS 57 HD2 LYS 57 -0.538 12.515 3.288 419 HD3 LYS 57 HD3 LYS 57 -0.045 11.034 4.119 420 HE2 LYS 57 HE2 LYS 57 -2.245 11.668 4.829 421 HE3 LYS 57 HE3 LYS 57 -1.112 11.839 6.168 422 HZ1 LYS 57 HZ1 LYS 57 -2.108 14.066 4.469 423 HZ2 LYS 57 HZ2 LYS 57 -1.013 14.219 5.748 424 HZ3 LYS 57 HZ3 LYS 57 -2.604 13.734 6.053 425 H MET 58 H MET 58 4.876 11.474 5.830 426 HA MET 58 HA MET 58 6.454 10.767 3.440 427 HB2 MET 58 HB2 MET 58 7.224 10.466 6.349 428 HB3 MET 58 HB3 MET 58 8.164 9.876 5.009 429 HG2 MET 58 HG2 MET 58 7.581 12.741 5.712 430 HG3 MET 58 HG3 MET 58 9.137 11.914 5.760 431 HE1 MET 58 HE1 MET 58 10.214 11.668 2.081 432 HE2 MET 58 HE2 MET 58 9.575 10.414 3.139 433 HE3 MET 58 HE3 MET 58 10.711 11.603 3.772 434 H MET 59 H MET 59 5.215 9.178 2.600 435 HA MET 59 HA MET 59 4.948 6.695 4.033 436 HB2 MET 59 HB2 MET 59 2.544 8.199 3.065 437 HB3 MET 59 HB3 MET 59 2.507 6.550 3.618 438 HG2 MET 59 HG2 MET 59 2.918 7.198 5.852 439 HG3 MET 59 HG3 MET 59 3.486 8.779 5.357 440 HE1 MET 59 HE1 MET 59 0.364 9.954 7.327 441 HE2 MET 59 HE2 MET 59 2.088 9.561 7.436 442 HE3 MET 59 HE3 MET 59 0.871 8.321 7.768 443 H LEU 60 H LEU 60 4.506 4.926 2.775 444 HA LEU 60 HA LEU 60 4.470 5.340 -0.135 445 HB2 LEU 60 HB2 LEU 60 6.705 4.702 0.440 446 HB3 LEU 60 HB3 LEU 60 6.136 3.432 1.479 447 HG LEU 60 HG LEU 60 5.276 2.251 -0.565 448 HD11 LEU 60 HD11 LEU 60 6.952 4.206 -2.076 449 HD12 LEU 60 HD12 LEU 60 5.196 4.298 -1.941 450 HD13 LEU 60 HD13 LEU 60 5.945 2.895 -2.704 451 HD21 LEU 60 HD21 LEU 60 7.440 1.458 -1.352 452 HD22 LEU 60 HD22 LEU 60 7.409 1.577 0.413 453 HD23 LEU 60 HD23 LEU 60 8.234 2.815 -0.540 454 H ARG 61 H ARG 61 2.693 4.455 -1.005 455 HA ARG 61 HA ARG 61 1.193 2.500 0.581 456 HB2 ARG 61 HB2 ARG 61 0.318 4.354 -1.618 457 HB3 ARG 61 HB3 ARG 61 -0.713 3.105 -0.968 458 HG2 ARG 61 HG2 ARG 61 -0.407 4.184 1.285 459 HG3 ARG 61 HG3 ARG 61 0.347 5.525 0.432 460 HD2 ARG 61 HD2 ARG 61 -1.636 6.103 -0.661 461 HD3 ARG 61 HD3 ARG 61 -2.363 4.525 -0.374 462 HE ARG 61 HE ARG 61 -2.382 6.802 1.389 463 HH11 ARG 61 HH11 ARG 61 -2.641 3.302 1.298 464 HH12 ARG 61 HH12 ARG 61 -3.605 3.223 2.735 465 HH21 ARG 61 HH21 ARG 61 -3.645 6.673 3.268 466 HH22 ARG 61 HH22 ARG 61 -4.173 5.128 3.846 467 H LEU 62 H LEU 62 0.352 0.653 -0.256 468 HA LEU 62 HA LEU 62 1.273 -0.253 -2.900 469 HB2 LEU 62 HB2 LEU 62 1.370 -1.663 -0.241 470 HB3 LEU 62 HB3 LEU 62 1.358 -2.557 -1.742 471 HG LEU 62 HG LEU 62 3.480 -0.626 -1.819 472 HD11 LEU 62 HD11 LEU 62 3.377 -0.642 0.584 473 HD12 LEU 62 HD12 LEU 62 4.852 -1.430 0.016 474 HD13 LEU 62 HD13 LEU 62 3.498 -2.402 0.599 475 HD21 LEU 62 HD21 LEU 62 4.888 -2.492 -2.266 476 HD22 LEU 62 HD22 LEU 62 3.348 -2.792 -3.081 477 HD23 LEU 62 HD23 LEU 62 3.723 -3.619 -1.574 478 H ILE 63 H ILE 63 -0.540 -0.347 -4.081 479 HA ILE 63 HA ILE 63 -3.134 -0.883 -2.876 480 HB ILE 63 HB ILE 63 -2.366 -0.189 -5.722 481 HG12 ILE 63 HG12 ILE 63 -3.889 1.554 -3.783 482 HG13 ILE 63 HG13 ILE 63 -2.152 1.656 -3.972 483 HG21 ILE 63 HG21 ILE 63 -5.141 -0.385 -4.572 484 HG22 ILE 63 HG22 ILE 63 -4.421 -1.494 -5.740 485 HG23 ILE 63 HG23 ILE 63 -4.729 0.185 -6.190 486 HD11 ILE 63 HD11 ILE 63 -2.421 2.317 -6.281 487 HD12 ILE 63 HD12 ILE 63 -3.302 3.394 -5.200 488 HD13 ILE 63 HD13 ILE 63 -4.174 2.174 -6.130 489 H GLY 64 H GLY 64 -4.231 -2.758 -2.998 490 HA2 GLY 64 HA2 GLY 64 -2.788 -5.082 -3.958 491 HA3 GLY 64 HA3 GLY 64 -4.214 -5.090 -2.944 492 H LYS 65 H LYS 65 -4.021 -6.905 -4.923 493 HA LYS 65 HA LYS 65 -5.468 -5.961 -7.248 494 HB2 LYS 65 HB2 LYS 65 -3.612 -7.555 -7.503 495 HB3 LYS 65 HB3 LYS 65 -4.528 -8.733 -6.566 496 HG2 LYS 65 HG2 LYS 65 -6.240 -8.797 -8.227 497 HG3 LYS 65 HG3 LYS 65 -5.453 -7.521 -9.154 498 HD2 LYS 65 HD2 LYS 65 -3.529 -8.959 -9.534 499 HD3 LYS 65 HD3 LYS 65 -4.273 -10.236 -8.578 500 HE2 LYS 65 HE2 LYS 65 -4.586 -10.683 -10.938 501 HE3 LYS 65 HE3 LYS 65 -6.139 -10.305 -10.205 502 HZ1 LYS 65 HZ1 LYS 65 -5.968 -8.069 -11.091 503 HZ2 LYS 65 HZ2 LYS 65 -5.848 -9.207 -12.338 504 HZ3 LYS 65 HZ3 LYS 65 -4.459 -8.422 -11.771 505 H VAL 66 H VAL 66 -7.519 -5.761 -7.170 506 HA VAL 66 HA VAL 66 -9.173 -7.792 -5.845 507 HB VAL 66 HB VAL 66 -9.253 -4.839 -5.550 508 HG11 VAL 66 HG11 VAL 66 -11.444 -5.304 -6.678 509 HG12 VAL 66 HG12 VAL 66 -11.571 -4.626 -5.056 510 HG13 VAL 66 HG13 VAL 66 -11.850 -6.351 -5.318 511 HG21 VAL 66 HG21 VAL 66 -9.932 -7.198 -3.818 512 HG22 VAL 66 HG22 VAL 66 -10.108 -5.529 -3.296 513 HG23 VAL 66 HG23 VAL 66 -8.512 -6.157 -3.716 514 H ASP 67 H ASP 67 -11.109 -8.348 -6.832 515 HA ASP 67 HA ASP 67 -11.205 -7.879 -9.710 516 HB2 ASP 67 HB2 ASP 67 -11.370 -10.200 -8.764 517 HB3 ASP 67 HB3 ASP 67 -12.918 -9.755 -8.052 518 H GLU 68 H GLU 68 -12.026 -5.834 -9.938 519 HA GLU 68 HA GLU 68 -14.498 -5.079 -8.605 520 HB2 GLU 68 HB2 GLU 68 -12.692 -3.604 -10.539 521 HB3 GLU 68 HB3 GLU 68 -14.191 -2.928 -9.922 522 HG2 GLU 68 HG2 GLU 68 -13.315 -3.065 -7.643 523 HG3 GLU 68 HG3 GLU 68 -11.813 -3.747 -8.266 524 H SER 69 H SER 69 -13.763 -6.819 -11.351 525 HA SER 69 HA SER 69 -15.850 -5.992 -13.100 526 HB2 SER 69 HB2 SER 69 -15.304 -7.850 -14.410 527 HB3 SER 69 HB3 SER 69 -13.786 -7.526 -13.574 528 HG SER 69 HG SER 69 -14.340 -9.741 -13.500 529 H LYS 70 H LYS 70 -15.773 -7.811 -10.198 530 HA LYS 70 HA LYS 70 -18.543 -8.688 -10.509 531 HB2 LYS 70 HB2 LYS 70 -16.550 -9.181 -8.287 532 HB3 LYS 70 HB3 LYS 70 -18.203 -9.774 -8.292 533 HG2 LYS 70 HG2 LYS 70 -17.744 -11.132 -10.239 534 HG3 LYS 70 HG3 LYS 70 -16.133 -10.452 -10.368 535 HD2 LYS 70 HD2 LYS 70 -15.563 -11.466 -8.177 536 HD3 LYS 70 HD3 LYS 70 -17.177 -12.167 -8.092 537 HE2 LYS 70 HE2 LYS 70 -16.729 -13.524 -10.050 538 HE3 LYS 70 HE3 LYS 70 -15.151 -12.765 -10.251 539 HZ1 LYS 70 HZ1 LYS 70 -15.987 -14.432 -7.939 540 HZ2 LYS 70 HZ2 LYS 70 -14.477 -13.693 -8.118 541 HZ3 LYS 70 HZ3 LYS 70 -14.950 -14.917 -9.186 542 H LYS 71 H LYS 71 -20.151 -7.597 -9.652 543 HA LYS 71 HA LYS 71 -19.594 -5.356 -7.876 544 HB2 LYS 71 HB2 LYS 71 -22.215 -5.812 -9.273 545 HB3 LYS 71 HB3 LYS 71 -21.666 -4.358 -8.460 546 HG2 LYS 71 HG2 LYS 71 -19.795 -4.331 -10.224 547 HG3 LYS 71 HG3 LYS 71 -20.802 -5.470 -11.097 548 HD2 LYS 71 HD2 LYS 71 -22.639 -3.882 -11.109 549 HD3 LYS 71 HD3 LYS 71 -21.649 -2.755 -10.167 550 HE2 LYS 71 HE2 LYS 71 -20.013 -2.705 -11.963 551 HE3 LYS 71 HE3 LYS 71 -21.005 -3.796 -12.918 552 HZ1 LYS 71 HZ1 LYS 71 -21.799 -1.066 -12.047 553 HZ2 LYS 71 HZ2 LYS 71 -22.761 -2.125 -12.947 554 HZ3 LYS 71 HZ3 LYS 71 -21.333 -1.507 -13.612 555 H ARG 72 H ARG 72 -20.564 -5.100 -5.906 556 HA ARG 72 HA ARG 72 -22.197 -7.344 -4.914 557 HB2 ARG 72 HB2 ARG 72 -20.393 -5.379 -3.482 558 HB3 ARG 72 HB3 ARG 72 -21.508 -6.426 -2.630 559 HG2 ARG 72 HG2 ARG 72 -20.320 -8.388 -3.491 560 HG3 ARG 72 HG3 ARG 72 -19.205 -7.329 -4.355 561 HD2 ARG 72 HD2 ARG 72 -18.204 -8.074 -2.276 562 HD3 ARG 72 HD3 ARG 72 -18.507 -6.340 -2.217 563 HE ARG 72 HE ARG 72 -20.142 -8.380 -0.850 564 HH11 ARG 72 HH11 ARG 72 -18.912 -5.092 -1.045 565 HH12 ARG 72 HH12 ARG 72 -19.627 -4.615 0.459 566 HH21 ARG 72 HH21 ARG 72 -21.065 -7.727 1.116 567 HH22 ARG 72 HH22 ARG 72 -20.843 -6.105 1.678 568 H LYS 73 H LYS 73 -24.078 -6.757 -3.603 569 HA LYS 73 HA LYS 73 -24.993 -3.981 -4.003 570 HB2 LYS 73 HB2 LYS 73 -26.639 -6.510 -4.334 571 HB3 LYS 73 HB3 LYS 73 -27.322 -4.892 -4.264 572 HG2 LYS 73 HG2 LYS 73 -26.036 -4.271 -6.253 573 HG3 LYS 73 HG3 LYS 73 -25.393 -5.908 -6.335 574 HD2 LYS 73 HD2 LYS 73 -27.695 -6.762 -6.595 575 HD3 LYS 73 HD3 LYS 73 -28.286 -5.097 -6.585 576 HE2 LYS 73 HE2 LYS 73 -26.946 -4.612 -8.579 577 HE3 LYS 73 HE3 LYS 73 -26.355 -6.275 -8.579 578 HZ1 LYS 73 HZ1 LYS 73 -28.624 -7.039 -8.927 579 HZ2 LYS 73 HZ2 LYS 73 -28.149 -5.987 -10.162 580 HZ3 LYS 73 HZ3 LYS 73 -29.185 -5.443 -8.941 581 H ASP 74 H ASP 74 -26.162 -3.089 -2.326 582 HA ASP 74 HA ASP 74 -25.780 -4.366 0.251 583 HB2 ASP 74 HB2 ASP 74 -26.247 -2.179 1.220 584 HB3 ASP 74 HB3 ASP 74 -25.074 -2.021 -0.075 585 H ASN 75 H ASN 75 -27.826 -3.263 1.805 586 HA ASN 75 HA ASN 75 -29.760 -5.256 1.633 587 HB2 ASN 75 HB2 ASN 75 -29.719 -2.644 3.126 588 HB3 ASN 75 HB3 ASN 75 -31.077 -3.757 3.258 589 HD21 ASN 75 HD21 ASN 75 -29.504 -2.952 5.415 590 HD22 ASN 75 HD22 ASN 75 -28.642 -4.323 6.016 591 H GLU 76 H GLU 76 -29.806 -2.084 0.136 592 HA GLU 76 HA GLU 76 -32.654 -2.290 -0.462 593 HB2 GLU 76 HB2 GLU 76 -30.648 -0.078 -0.870 594 HB3 GLU 76 HB3 GLU 76 -32.285 0.000 -1.505 595 HG2 GLU 76 HG2 GLU 76 -33.151 -0.255 0.798 596 HG3 GLU 76 HG3 GLU 76 -31.494 -0.220 1.393 597 H GLY 77 H GLY 77 -29.655 -2.955 -1.990 598 HA2 GLY 77 HA2 GLY 77 -29.574 -4.285 -3.971 599 HA3 GLY 77 HA3 GLY 77 -31.081 -3.553 -4.491 600 H ASN 78 H ASN 78 -28.543 -1.546 -3.221 601 HA ASN 78 HA ASN 78 -28.141 -0.329 -5.842 602 HB2 ASN 78 HB2 ASN 78 -27.187 0.479 -3.083 603 HB3 ASN 78 HB3 ASN 78 -26.811 1.368 -4.556 604 HD21 ASN 78 HD21 ASN 78 -28.734 1.388 -1.961 605 HD22 ASN 78 HD22 ASN 78 -30.112 2.214 -2.595 606 H GLU 79 H GLU 79 -26.168 -0.212 -6.899 607 HA GLU 79 HA GLU 79 -24.538 -2.544 -6.583 608 HB2 GLU 79 HB2 GLU 79 -24.454 -0.184 -8.470 609 HB3 GLU 79 HB3 GLU 79 -23.241 -1.457 -8.516 610 HG2 GLU 79 HG2 GLU 79 -25.022 -3.085 -8.964 611 HG3 GLU 79 HG3 GLU 79 -26.191 -1.766 -8.964 612 H VAL 80 H VAL 80 -23.335 -2.545 -4.781 613 HA VAL 80 HA VAL 80 -21.333 -0.417 -4.453 614 HB VAL 80 HB VAL 80 -22.124 -2.531 -2.426 615 HG11 VAL 80 HG11 VAL 80 -20.775 -1.222 -0.848 616 HG12 VAL 80 HG12 VAL 80 -20.292 -0.155 -2.166 617 HG13 VAL 80 HG13 VAL 80 -19.810 -1.851 -2.183 618 HG21 VAL 80 HG21 VAL 80 -23.184 -0.762 -1.137 619 HG22 VAL 80 HG22 VAL 80 -23.922 -0.870 -2.741 620 HG23 VAL 80 HG23 VAL 80 -22.768 0.418 -2.381 621 H VAL 81 H VAL 81 -19.654 -0.932 -5.721 622 HA VAL 81 HA VAL 81 -18.986 -3.729 -6.080 623 HB VAL 81 HB VAL 81 -17.830 -1.413 -7.619 624 HG11 VAL 81 HG11 VAL 81 -17.435 -3.089 -9.394 625 HG12 VAL 81 HG12 VAL 81 -17.951 -4.349 -8.271 626 HG13 VAL 81 HG13 VAL 81 -16.515 -3.382 -7.916 627 HG21 VAL 81 HG21 VAL 81 -20.223 -1.299 -7.896 628 HG22 VAL 81 HG22 VAL 81 -20.288 -3.011 -8.316 629 HG23 VAL 81 HG23 VAL 81 -19.478 -1.870 -9.389 630 HA PRO 82 HA PRO 82 -15.761 -3.644 -2.998 631 HB2 PRO 82 HB2 PRO 82 -14.255 -5.751 -3.872 632 HB3 PRO 82 HB3 PRO 82 -15.774 -5.935 -2.983 633 HG2 PRO 82 HG2 PRO 82 -15.368 -5.977 -5.893 634 HG3 PRO 82 HG3 PRO 82 -16.165 -7.070 -4.978 635 HD2 PRO 82 HD2 PRO 82 -17.597 -5.297 -6.162 636 HD3 PRO 82 HD3 PRO 82 -17.945 -5.587 -4.593 637 H LYS 83 H LYS 83 -14.082 -2.411 -2.786 638 HA LYS 83 HA LYS 83 -12.420 -1.742 -5.090 639 HB2 LYS 83 HB2 LYS 83 -12.729 -0.352 -2.432 640 HB3 LYS 83 HB3 LYS 83 -11.639 0.186 -3.694 641 HG2 LYS 83 HG2 LYS 83 -14.627 0.004 -3.938 642 HG3 LYS 83 HG3 LYS 83 -13.721 1.467 -3.614 643 HD2 LYS 83 HD2 LYS 83 -12.519 1.086 -5.803 644 HD3 LYS 83 HD3 LYS 83 -13.693 -0.188 -6.125 645 HE2 LYS 83 HE2 LYS 83 -15.507 1.502 -5.880 646 HE3 LYS 83 HE3 LYS 83 -14.262 2.740 -5.710 647 HZ1 LYS 83 HZ1 LYS 83 -15.103 2.623 -7.976 648 HZ2 LYS 83 HZ2 LYS 83 -14.650 0.997 -8.087 649 HZ3 LYS 83 HZ3 LYS 83 -13.465 2.194 -7.926 650 HA PRO 84 HA PRO 84 -8.784 -3.848 -3.562 651 HB2 PRO 84 HB2 PRO 84 -6.752 -2.232 -4.292 652 HB3 PRO 84 HB3 PRO 84 -7.636 -3.224 -5.450 653 HG2 PRO 84 HG2 PRO 84 -7.942 -0.367 -4.889 654 HG3 PRO 84 HG3 PRO 84 -7.908 -1.119 -6.338 655 HD2 PRO 84 HD2 PRO 84 -10.310 -0.530 -5.213 656 HD3 PRO 84 HD3 PRO 84 -10.168 -1.883 -6.118 657 H GLN 85 H GLN 85 -7.273 -3.915 -1.939 658 HA GLN 85 HA GLN 85 -7.535 -1.878 0.136 659 HB2 GLN 85 HB2 GLN 85 -6.265 -4.624 0.198 660 HB3 GLN 85 HB3 GLN 85 -6.337 -3.530 1.573 661 HG2 GLN 85 HG2 GLN 85 -8.765 -3.625 1.549 662 HG3 GLN 85 HG3 GLN 85 -8.726 -4.653 0.126 663 HE21 GLN 85 HE21 GLN 85 -9.259 -4.739 3.338 664 HE22 GLN 85 HE22 GLN 85 -8.769 -6.358 3.690 665 H ARG 86 H ARG 86 -5.864 -0.687 0.951 666 HA ARG 86 HA ARG 86 -3.442 -0.617 -0.748 667 HB2 ARG 86 HB2 ARG 86 -4.719 1.736 0.669 668 HB3 ARG 86 HB3 ARG 86 -3.404 1.783 -0.498 669 HG2 ARG 86 HG2 ARG 86 -4.893 1.052 -2.261 670 HG3 ARG 86 HG3 ARG 86 -6.208 0.860 -1.110 671 HD2 ARG 86 HD2 ARG 86 -6.151 3.270 -0.652 672 HD3 ARG 86 HD3 ARG 86 -4.851 3.455 -1.830 673 HE ARG 86 HE ARG 86 -7.026 2.180 -3.065 674 HH11 ARG 86 HH11 ARG 86 -6.194 5.363 -1.827 675 HH12 ARG 86 HH12 ARG 86 -7.260 6.185 -2.918 676 HH21 ARG 86 HH21 ARG 86 -8.408 3.280 -4.474 677 HH22 ARG 86 HH22 ARG 86 -8.513 5.007 -4.410 678 H HIS 87 H HIS 87 -1.599 -1.039 0.235 679 HA HIS 87 HA HIS 87 -1.447 -1.081 3.163 680 HB2 HIS 87 HB2 HIS 87 0.445 -2.228 1.092 681 HB3 HIS 87 HB3 HIS 87 0.583 -2.447 2.830 682 HD1 HIS 87 HD1 HIS 87 -1.477 -3.846 3.929 683 HD2 HIS 87 HD2 HIS 87 -0.993 -4.135 -0.189 684 HE1 HIS 87 HE1 HIS 87 -2.707 -5.932 3.250 685 HE2 HIS 87 HE2 HIS 87 -2.467 -6.042 0.744 686 H MET 88 H MET 88 -0.635 0.694 4.128 687 HA MET 88 HA MET 88 1.254 2.376 2.618 688 HB2 MET 88 HB2 MET 88 -0.870 3.442 3.389 689 HB3 MET 88 HB3 MET 88 -0.394 3.118 5.038 690 HG2 MET 88 HG2 MET 88 1.507 4.581 4.848 691 HG3 MET 88 HG3 MET 88 1.169 4.818 3.153 692 HE1 MET 88 HE1 MET 88 0.214 5.996 6.825 693 HE2 MET 88 HE2 MET 88 -0.946 4.743 6.380 694 HE3 MET 88 HE3 MET 88 -1.484 6.409 6.562 695 H PHE 89 H PHE 89 3.205 2.798 3.276 696 HA PHE 89 HA PHE 89 4.101 1.948 5.956 697 HB2 PHE 89 HB2 PHE 89 5.585 2.096 3.317 698 HB3 PHE 89 HB3 PHE 89 6.421 1.986 4.855 699 HD1 PHE 89 HD1 PHE 89 4.445 0.187 2.371 700 HD2 PHE 89 HD2 PHE 89 6.357 -0.071 6.160 701 HE1 PHE 89 HE1 PHE 89 4.289 -2.269 2.285 702 HE2 PHE 89 HE2 PHE 89 6.200 -2.521 6.095 703 HZ PHE 89 HZ PHE 89 5.144 -3.618 4.095 704 H SER 90 H SER 90 5.848 3.427 6.866 705 HA SER 90 HA SER 90 5.606 6.159 5.800 706 HB2 SER 90 HB2 SER 90 5.746 5.307 8.666 707 HB3 SER 90 HB3 SER 90 5.973 6.970 8.148 708 HG SER 90 HG SER 90 3.731 5.892 8.732 709 H PHE 91 H PHE 91 7.372 7.350 5.556 710 HA PHE 91 HA PHE 91 9.958 5.998 5.950 711 HB2 PHE 91 HB2 PHE 91 8.826 7.337 3.511 712 HB3 PHE 91 HB3 PHE 91 10.561 7.271 3.751 713 HD1 PHE 91 HD1 PHE 91 7.656 4.924 4.047 714 HD2 PHE 91 HD2 PHE 91 11.621 5.571 2.624 715 HE1 PHE 91 HE1 PHE 91 7.627 2.716 2.961 716 HE2 PHE 91 HE2 PHE 91 11.597 3.358 1.539 717 HZ PHE 91 HZ PHE 91 9.581 1.940 1.705 718 H ASN 92 H ASN 92 11.833 7.636 5.490 719 HA ASN 92 HA ASN 92 11.218 10.207 6.791 720 HB2 ASN 92 HB2 ASN 92 13.694 8.484 7.066 721 HB3 ASN 92 HB3 ASN 92 13.570 10.124 7.688 722 HD21 ASN 92 HD21 ASN 92 13.097 6.870 8.338 723 HD22 ASN 92 HD22 ASN 92 12.198 7.024 9.804 724 H ASN 93 H ASN 93 12.603 8.598 4.083 725 HA ASN 93 HA ASN 93 13.408 11.171 2.914 726 HB2 ASN 93 HB2 ASN 93 15.409 9.823 3.791 727 HB3 ASN 93 HB3 ASN 93 15.066 8.683 2.497 728 HD21 ASN 93 HD21 ASN 93 17.463 10.130 2.801 729 HD22 ASN 93 HD22 ASN 93 17.628 11.184 1.441 730 H ARG 94 H ARG 94 12.877 11.434 0.808 731 HA ARG 94 HA ARG 94 11.101 9.596 -0.457 732 HB2 ARG 94 HB2 ARG 94 10.940 11.199 -2.245 733 HB3 ARG 94 HB3 ARG 94 10.906 12.051 -0.709 734 HG2 ARG 94 HG2 ARG 94 12.851 13.128 -1.112 735 HG3 ARG 94 HG3 ARG 94 13.558 11.764 -1.973 736 HD2 ARG 94 HD2 ARG 94 11.290 13.093 -3.301 737 HD3 ARG 94 HD3 ARG 94 12.754 14.053 -3.148 738 HE ARG 94 HE ARG 94 12.721 11.398 -4.435 739 HH11 ARG 94 HH11 ARG 94 13.771 14.751 -4.398 740 HH12 ARG 94 HH12 ARG 94 14.730 14.586 -5.831 741 HH21 ARG 94 HH21 ARG 94 13.981 11.207 -6.310 742 HH22 ARG 94 HH22 ARG 94 14.848 12.580 -6.911 743 H THR 95 H THR 95 14.512 9.990 -0.518 744 HA THR 95 HA THR 95 15.005 8.999 -3.158 745 HB THR 95 HB THR 95 17.380 8.834 -2.422 746 HG1 THR 95 HG1 THR 95 16.604 8.386 -0.122 747 HG21 THR 95 HG21 THR 95 16.036 11.417 -1.595 748 HG22 THR 95 HG22 THR 95 16.553 11.001 -3.228 749 HG23 THR 95 HG23 THR 95 17.752 11.221 -1.955 750 H VAL 96 H VAL 96 14.385 7.507 -0.083 751 HA VAL 96 HA VAL 96 15.272 4.866 -0.918 752 HB VAL 96 HB VAL 96 13.600 5.669 1.489 753 HG11 VAL 96 HG11 VAL 96 14.950 3.022 0.955 754 HG12 VAL 96 HG12 VAL 96 13.229 3.323 0.747 755 HG13 VAL 96 HG13 VAL 96 13.953 3.444 2.348 756 HG21 VAL 96 HG21 VAL 96 15.921 6.515 1.563 757 HG22 VAL 96 HG22 VAL 96 16.508 4.864 1.378 758 HG23 VAL 96 HG23 VAL 96 15.596 5.318 2.818 759 H MET 97 H MET 97 12.098 6.364 -0.171 760 HA MET 97 HA MET 97 10.400 4.330 -0.945 761 HB2 MET 97 HB2 MET 97 10.026 7.312 -1.153 762 HB3 MET 97 HB3 MET 97 8.735 6.167 -1.494 763 HG2 MET 97 HG2 MET 97 9.100 5.284 0.800 764 HG3 MET 97 HG3 MET 97 10.216 6.627 1.044 765 HE1 MET 97 HE1 MET 97 8.806 9.099 -0.374 766 HE2 MET 97 HE2 MET 97 9.581 9.048 1.206 767 HE3 MET 97 HE3 MET 97 7.958 9.719 1.042 768 H ASP 98 H ASP 98 11.764 6.837 -2.995 769 HA ASP 98 HA ASP 98 10.462 5.987 -5.390 770 HB2 ASP 98 HB2 ASP 98 12.878 7.745 -4.877 771 HB3 ASP 98 HB3 ASP 98 12.281 7.413 -6.497 772 H ASN 99 H ASN 99 13.287 4.862 -3.746 773 HA ASN 99 HA ASN 99 14.287 3.371 -6.039 774 HB2 ASN 99 HB2 ASN 99 15.282 4.150 -3.405 775 HB3 ASN 99 HB3 ASN 99 15.642 2.473 -3.764 776 HD21 ASN 99 HD21 ASN 99 16.833 5.476 -3.923 777 HD22 ASN 99 HD22 ASN 99 17.917 5.319 -5.258 778 H ILE 100 H ILE 100 12.581 2.663 -2.961 779 HA ILE 100 HA ILE 100 12.464 -0.165 -3.336 780 HB ILE 100 HB ILE 100 10.627 1.641 -1.719 781 HG12 ILE 100 HG12 ILE 100 12.916 1.593 -0.826 782 HG13 ILE 100 HG13 ILE 100 11.792 0.847 0.274 783 HG21 ILE 100 HG21 ILE 100 9.593 -0.566 -2.405 784 HG22 ILE 100 HG22 ILE 100 9.619 -0.210 -0.681 785 HG23 ILE 100 HG23 ILE 100 10.789 -1.340 -1.368 786 HD11 ILE 100 HD11 ILE 100 12.605 -1.362 -0.454 787 HD12 ILE 100 HD12 ILE 100 13.874 -0.355 0.252 788 HD13 ILE 100 HD13 ILE 100 13.779 -0.559 -1.500 789 H LYS 101 H LYS 101 10.041 2.408 -3.906 790 HA LYS 101 HA LYS 101 8.065 1.002 -5.219 791 HB2 LYS 101 HB2 LYS 101 7.848 3.310 -4.460 792 HB3 LYS 101 HB3 LYS 101 8.985 3.832 -5.694 793 HG2 LYS 101 HG2 LYS 101 7.399 3.082 -7.432 794 HG3 LYS 101 HG3 LYS 101 6.260 2.642 -6.161 795 HD2 LYS 101 HD2 LYS 101 6.109 4.955 -5.449 796 HD3 LYS 101 HD3 LYS 101 7.358 5.408 -6.599 797 HE2 LYS 101 HE2 LYS 101 5.725 4.466 -8.377 798 HE3 LYS 101 HE3 LYS 101 4.514 4.638 -7.110 799 HZ1 LYS 101 HZ1 LYS 101 6.227 6.820 -8.178 800 HZ2 LYS 101 HZ2 LYS 101 5.061 6.990 -6.965 801 HZ3 LYS 101 HZ3 LYS 101 4.590 6.586 -8.538 802 H MET 102 H MET 102 10.954 2.500 -6.627 803 HA MET 102 HA MET 102 10.580 2.015 -9.322 804 HB2 MET 102 HB2 MET 102 12.447 3.277 -8.416 805 HB3 MET 102 HB3 MET 102 13.116 1.844 -7.697 806 HG2 MET 102 HG2 MET 102 13.385 0.940 -10.042 807 HG3 MET 102 HG3 MET 102 12.933 2.553 -10.595 808 HE1 MET 102 HE1 MET 102 15.397 1.174 -7.714 809 HE2 MET 102 HE2 MET 102 16.900 1.355 -8.619 810 HE3 MET 102 HE3 MET 102 15.644 0.265 -9.205 811 H THR 103 H THR 103 12.177 -0.229 -7.008 812 HA THR 103 HA THR 103 12.428 -2.398 -8.780 813 HB THR 103 HB THR 103 12.178 -2.432 -5.758 814 HG1 THR 103 HG1 THR 103 14.627 -2.975 -6.766 815 HG21 THR 103 HG21 THR 103 13.259 -4.645 -5.856 816 HG22 THR 103 HG22 THR 103 13.190 -4.600 -7.616 817 HG23 THR 103 HG23 THR 103 11.700 -4.663 -6.677 818 H LEU 104 H LEU 104 9.984 -1.929 -6.196 819 HA LEU 104 HA LEU 104 8.191 -3.913 -6.621 820 HB2 LEU 104 HB2 LEU 104 7.566 -0.993 -6.107 821 HB3 LEU 104 HB3 LEU 104 6.425 -2.287 -5.866 822 HG LEU 104 HG LEU 104 8.989 -1.946 -4.316 823 HD11 LEU 104 HD11 LEU 104 7.027 -1.648 -2.504 824 HD12 LEU 104 HD12 LEU 104 6.244 -0.934 -3.914 825 HD13 LEU 104 HD13 LEU 104 7.783 -0.300 -3.338 826 HD21 LEU 104 HD21 LEU 104 8.432 -3.768 -3.047 827 HD22 LEU 104 HD22 LEU 104 7.845 -4.291 -4.624 828 HD23 LEU 104 HD23 LEU 104 6.718 -3.639 -3.427 829 H GLN 105 H GLN 105 7.935 -0.716 -8.135 830 HA GLN 105 HA GLN 105 5.930 -1.073 -9.979 831 HB2 GLN 105 HB2 GLN 105 7.126 1.056 -9.471 832 HB3 GLN 105 HB3 GLN 105 8.460 0.521 -10.467 833 HG2 GLN 105 HG2 GLN 105 7.152 2.014 -11.762 834 HG3 GLN 105 HG3 GLN 105 6.879 0.393 -12.391 835 HE21 GLN 105 HE21 GLN 105 4.857 0.209 -13.032 836 HE22 GLN 105 HE22 GLN 105 3.464 0.780 -12.185 837 H GLN 106 H GLN 106 9.254 -2.145 -10.288 838 HA GLN 106 HA GLN 106 8.987 -2.920 -13.064 839 HB2 GLN 106 HB2 GLN 106 11.194 -3.148 -11.018 840 HB3 GLN 106 HB3 GLN 106 11.313 -3.922 -12.585 841 HG2 GLN 106 HG2 GLN 106 11.059 -1.760 -13.679 842 HG3 GLN 106 HG3 GLN 106 10.987 -0.956 -12.120 843 HE21 GLN 106 HE21 GLN 106 12.803 0.132 -13.443 844 HE22 GLN 106 HE22 GLN 106 14.399 -0.457 -13.149 845 H ILE 107 H ILE 107 8.473 -4.347 -9.979 846 HA ILE 107 HA ILE 107 8.576 -7.087 -10.887 847 HB ILE 107 HB ILE 107 7.756 -5.844 -8.244 848 HG12 ILE 107 HG12 ILE 107 10.139 -7.579 -8.964 849 HG13 ILE 107 HG13 ILE 107 10.182 -5.838 -8.869 850 HG21 ILE 107 HG21 ILE 107 7.577 -8.067 -7.300 851 HG22 ILE 107 HG22 ILE 107 7.933 -8.794 -8.869 852 HG23 ILE 107 HG23 ILE 107 6.440 -7.884 -8.636 853 HD11 ILE 107 HD11 ILE 107 9.853 -5.867 -6.510 854 HD12 ILE 107 HD12 ILE 107 11.150 -7.003 -6.896 855 HD13 ILE 107 HD13 ILE 107 9.535 -7.599 -6.526 856 H ILE 108 H ILE 108 5.976 -4.736 -10.094 857 HA ILE 108 HA ILE 108 3.844 -6.619 -10.409 858 HB ILE 108 HB ILE 108 3.749 -3.586 -10.501 859 HG12 ILE 108 HG12 ILE 108 2.642 -5.379 -8.365 860 HG13 ILE 108 HG13 ILE 108 4.323 -4.917 -8.343 861 HG21 ILE 108 HG21 ILE 108 1.873 -4.578 -11.781 862 HG22 ILE 108 HG22 ILE 108 1.315 -3.783 -10.304 863 HG23 ILE 108 HG23 ILE 108 1.444 -5.546 -10.366 864 HD11 ILE 108 HD11 ILE 108 3.742 -2.600 -8.143 865 HD12 ILE 108 HD12 ILE 108 2.926 -3.526 -6.886 866 HD13 ILE 108 HD13 ILE 108 2.031 -2.983 -8.302 867 H SER 109 H SER 109 5.448 -4.379 -12.579 868 HA SER 109 HA SER 109 3.781 -4.671 -14.843 869 HB2 SER 109 HB2 SER 109 5.635 -3.751 -16.116 870 HB3 SER 109 HB3 SER 109 5.482 -2.885 -14.586 871 HG SER 109 HG SER 109 7.589 -4.232 -15.557 872 H ARG 110 H ARG 110 6.091 -6.825 -13.431 873 HA ARG 110 HA ARG 110 6.400 -8.558 -15.707 874 HB2 ARG 110 HB2 ARG 110 8.061 -8.558 -13.895 875 HB3 ARG 110 HB3 ARG 110 6.840 -9.107 -12.759 876 HG2 ARG 110 HG2 ARG 110 8.266 -10.943 -13.413 877 HG3 ARG 110 HG3 ARG 110 6.632 -11.205 -14.014 878 HD2 ARG 110 HD2 ARG 110 7.347 -10.315 -16.214 879 HD3 ARG 110 HD3 ARG 110 8.993 -10.195 -15.594 880 HE ARG 110 HE ARG 110 8.289 -12.797 -15.160 881 HH11 ARG 110 HH11 ARG 110 8.413 -10.763 -18.024 882 HH12 ARG 110 HH12 ARG 110 8.734 -12.089 -19.089 883 HH21 ARG 110 HH21 ARG 110 8.709 -14.515 -16.576 884 HH22 ARG 110 HH22 ARG 110 8.902 -14.211 -18.270 885 H TYR 111 H TYR 111 4.330 -8.521 -12.817 886 HA TYR 111 HA TYR 111 2.799 -10.837 -13.681 887 HB2 TYR 111 HB2 TYR 111 2.281 -8.981 -11.353 888 HB3 TYR 111 HB3 TYR 111 1.554 -10.557 -11.628 889 HD1 TYR 111 HD1 TYR 111 4.393 -8.793 -10.281 890 HD2 TYR 111 HD2 TYR 111 3.013 -12.613 -11.558 891 HE1 TYR 111 HE1 TYR 111 6.208 -9.863 -9.019 892 HE2 TYR 111 HE2 TYR 111 4.833 -13.690 -10.305 893 HH TYR 111 HH TYR 111 6.700 -12.039 -8.008 894 H LYS 112 H LYS 112 2.884 -7.745 -14.663 895 HA LYS 112 HA LYS 112 0.023 -7.282 -14.970 896 HB2 LYS 112 HB2 LYS 112 1.549 -5.446 -14.333 897 HB3 LYS 112 HB3 LYS 112 2.413 -5.648 -15.849 898 HG2 LYS 112 HG2 LYS 112 0.389 -5.014 -17.074 899 HG3 LYS 112 HG3 LYS 112 -0.467 -4.834 -15.556 900 HD2 LYS 112 HD2 LYS 112 1.050 -3.017 -14.902 901 HD3 LYS 112 HD3 LYS 112 1.934 -3.210 -16.414 902 HE2 LYS 112 HE2 LYS 112 -0.965 -2.374 -16.174 903 HE3 LYS 112 HE3 LYS 112 0.389 -1.284 -16.455 904 HZ1 LYS 112 HZ1 LYS 112 -0.393 -3.496 -18.280 905 HZ2 LYS 112 HZ2 LYS 112 0.790 -2.322 -18.561 906 HZ3 LYS 112 HZ3 LYS 112 -0.836 -1.877 -18.489 907 H ASP 113 H ASP 113 2.871 -8.171 -16.801 908 HA ASP 113 HA ASP 113 1.480 -8.284 -19.342 909 HB2 ASP 113 HB2 ASP 113 4.308 -8.792 -18.437 910 HB3 ASP 113 HB3 ASP 113 3.774 -9.198 -20.055 911 H ALA 114 H ALA 114 2.690 -10.448 -16.837 912 HA ALA 114 HA ALA 114 2.527 -12.654 -16.427 913 HB1 ALA 114 HB1 ALA 114 -0.043 -12.482 -17.992 914 HB2 ALA 114 HB2 ALA 114 0.151 -12.004 -16.306 915 HB3 ALA 114 HB3 ALA 114 0.380 -13.689 -16.776 916 H ASP 115 H ASP 115 4.324 -13.304 -17.547 917 HA ASP 115 HA ASP 115 3.860 -14.543 -20.171 918 HB2 ASP 115 HB2 ASP 115 5.602 -12.823 -20.181 919 HB3 ASP 115 HB3 ASP 115 6.480 -13.682 -18.926 920 H1 GLY 519 H1 GLY 519 -16.728 -16.995 20.856 921 H2 GLY 519 H2 GLY 519 -15.709 -16.192 21.940 922 H3 GLY 519 H3 GLY 519 -17.381 -16.205 22.203 923 HA2 GLY 519 HA2 GLY 519 -16.290 -17.752 23.692 924 HA3 GLY 519 HA3 GLY 519 -17.351 -18.585 22.568 925 H SER 520 H SER 520 -14.466 -18.788 24.031 926 HA SER 520 HA SER 520 -12.556 -19.977 23.785 927 HB2 SER 520 HB2 SER 520 -13.977 -21.888 23.396 928 HB3 SER 520 HB3 SER 520 -14.197 -21.442 21.705 929 HG SER 520 HG SER 520 -12.501 -22.610 21.333 930 HA PRO 521 HA PRO 521 -10.679 -17.334 20.497 931 HB2 PRO 521 HB2 PRO 521 -8.282 -18.050 22.124 932 HB3 PRO 521 HB3 PRO 521 -8.783 -16.478 21.510 933 HG2 PRO 521 HG2 PRO 521 -9.137 -16.973 23.989 934 HG3 PRO 521 HG3 PRO 521 -10.362 -16.268 23.171 935 HD2 PRO 521 HD2 PRO 521 -10.150 -19.083 23.885 936 HD3 PRO 521 HD3 PRO 521 -11.459 -18.125 24.077 937 H GLY 522 H GLY 522 -9.593 -17.846 18.660 938 HA2 GLY 522 HA2 GLY 522 -7.965 -20.252 18.490 939 HA3 GLY 522 HA3 GLY 522 -9.441 -20.264 17.537 940 H TYR 523 H TYR 523 -9.680 -18.765 15.820 941 HA TYR 523 HA TYR 523 -7.142 -17.601 14.872 942 HB2 TYR 523 HB2 TYR 523 -9.374 -18.800 13.204 943 HB3 TYR 523 HB3 TYR 523 -7.912 -18.063 12.568 944 HD1 TYR 523 HD1 TYR 523 -9.385 -21.056 14.005 945 HD2 TYR 523 HD2 TYR 523 -5.717 -19.210 12.881 946 HE1 TYR 523 HE1 TYR 523 -8.265 -23.244 14.083 947 HE2 TYR 523 HE2 TYR 523 -4.591 -21.394 12.954 948 HH TYR 523 HH TYR 523 -4.898 -23.589 14.036 949 HA PRO 524 HA PRO 524 -9.937 -13.926 15.300 950 HB2 PRO 524 HB2 PRO 524 -7.304 -12.548 15.311 951 HB3 PRO 524 HB3 PRO 524 -8.679 -12.347 16.402 952 HG2 PRO 524 HG2 PRO 524 -6.616 -13.625 17.284 953 HG3 PRO 524 HG3 PRO 524 -8.084 -14.275 17.581 954 HD2 PRO 524 HD2 PRO 524 -6.288 -15.074 15.324 955 HD3 PRO 524 HD3 PRO 524 -6.955 -16.108 16.397 956 H ASN 525 H ASN 525 -10.729 -12.724 13.684 957 HA ASN 525 HA ASN 525 -9.043 -12.089 11.365 958 HB2 ASN 525 HB2 ASN 525 -11.776 -13.399 11.284 959 HB3 ASN 525 HB3 ASN 525 -11.042 -12.628 9.887 960 HD21 ASN 525 HD21 ASN 525 -11.235 -15.474 11.771 961 HD22 ASN 525 HD22 ASN 525 -10.055 -16.398 10.913 962 H GLY 526 H GLY 526 -9.222 -10.029 10.728 963 HA2 GLY 526 HA2 GLY 526 -10.790 -8.209 10.109 964 HA3 GLY 526 HA3 GLY 526 -11.556 -8.471 11.668 965 H LEU 527 H LEU 527 -10.797 -7.437 13.432 966 HA LEU 527 HA LEU 527 -8.475 -5.663 13.050 967 HB2 LEU 527 HB2 LEU 527 -10.884 -5.290 14.846 968 HB3 LEU 527 HB3 LEU 527 -9.534 -4.187 14.716 969 HG LEU 527 HG LEU 527 -11.485 -4.799 12.488 970 HD11 LEU 527 HD11 LEU 527 -11.202 -2.384 14.273 971 HD12 LEU 527 HD12 LEU 527 -12.536 -3.537 14.278 972 HD13 LEU 527 HD13 LEU 527 -12.270 -2.503 12.874 973 HD21 LEU 527 HD21 LEU 527 -10.424 -2.946 11.320 974 HD22 LEU 527 HD22 LEU 527 -9.235 -4.198 11.679 975 HD23 LEU 527 HD23 LEU 527 -9.291 -2.729 12.653 976 H LEU 528 H LEU 528 -6.760 -6.120 14.211 977 HA LEU 528 HA LEU 528 -7.082 -7.408 16.838 978 HB2 LEU 528 HB2 LEU 528 -4.838 -7.785 14.841 979 HB3 LEU 528 HB3 LEU 528 -4.851 -8.456 16.457 980 HG LEU 528 HG LEU 528 -6.680 -9.208 14.168 981 HD11 LEU 528 HD11 LEU 528 -4.577 -10.775 15.660 982 HD12 LEU 528 HD12 LEU 528 -4.470 -10.200 13.997 983 HD13 LEU 528 HD13 LEU 528 -5.658 -11.427 14.430 984 HD21 LEU 528 HD21 LEU 528 -7.643 -10.859 15.704 985 HD22 LEU 528 HD22 LEU 528 -7.948 -9.205 16.232 986 HD23 LEU 528 HD23 LEU 528 -6.701 -10.168 17.025 987 H SER 529 H SER 529 -6.337 -4.611 15.336 988 HA SER 529 HA SER 529 -4.929 -3.514 17.606 989 HB2 SER 529 HB2 SER 529 -2.979 -4.298 16.438 990 HB3 SER 529 HB3 SER 529 -3.571 -3.659 14.908 991 HG SER 529 HG SER 529 -2.564 -1.895 15.404 992 H GLY 530 H GLY 530 -5.852 -2.894 14.214 993 HA2 GLY 530 HA2 GLY 530 -7.619 -1.331 13.700 994 HA3 GLY 530 HA3 GLY 530 -7.128 -0.386 15.096 995 H ASP 531 H ASP 531 -6.007 -1.482 11.906 996 HA ASP 531 HA ASP 531 -4.425 0.986 11.678 997 HB2 ASP 531 HB2 ASP 531 -3.184 -1.247 11.654 998 HB3 ASP 531 HB3 ASP 531 -3.959 -1.546 10.105 999 H GLU 532 H GLU 532 -7.238 -0.336 10.750 1000 HA GLU 532 HA GLU 532 -7.230 0.716 8.023 1001 HB2 GLU 532 HB2 GLU 532 -8.984 -1.273 9.415 1002 HB3 GLU 532 HB3 GLU 532 -9.313 -0.644 7.816 1003 HG2 GLU 532 HG2 GLU 532 -7.149 -1.533 7.043 1004 HG3 GLU 532 HG3 GLU 532 -6.886 -2.195 8.646 1005 H ASP 533 H ASP 533 -7.778 1.964 10.819 1006 HA ASP 533 HA ASP 533 -10.455 3.060 10.412 1007 HB2 ASP 533 HB2 ASP 533 -8.547 3.210 12.758 1008 HB3 ASP 533 HB3 ASP 533 -10.109 4.016 12.717 1009 H PHE 534 H PHE 534 -7.074 4.119 10.595 1010 HA PHE 534 HA PHE 534 -7.903 6.870 10.027 1011 HB2 PHE 534 HB2 PHE 534 -5.262 5.792 11.024 1012 HB3 PHE 534 HB3 PHE 534 -5.525 7.474 10.598 1013 HD1 PHE 534 HD1 PHE 534 -5.837 4.963 13.138 1014 HD2 PHE 534 HD2 PHE 534 -7.214 8.805 11.932 1015 HE1 PHE 534 HE1 PHE 534 -6.622 5.396 15.431 1016 HE2 PHE 534 HE2 PHE 534 -7.996 9.249 14.222 1017 HZ PHE 534 HZ PHE 534 -7.700 7.544 15.976 1018 H SER 535 H SER 535 -6.760 4.176 8.404 1019 HA SER 535 HA SER 535 -5.333 5.624 6.338 1020 HB2 SER 535 HB2 SER 535 -4.907 3.496 5.319 1021 HB3 SER 535 HB3 SER 535 -4.650 3.318 7.050 1022 HG SER 535 HG SER 535 -7.079 2.652 5.739 1023 H SER 536 H SER 536 -8.530 5.172 7.050 1024 HA SER 536 HA SER 536 -9.520 5.058 4.324 1025 HB2 SER 536 HB2 SER 536 -11.746 5.220 5.346 1026 HB3 SER 536 HB3 SER 536 -10.788 3.975 6.145 1027 HG SER 536 HG SER 536 -10.970 6.624 7.121 1028 H ILE 537 H ILE 537 -9.022 7.434 6.865 1029 HA ILE 537 HA ILE 537 -10.017 9.603 5.196 1030 HB ILE 537 HB ILE 537 -8.951 9.573 8.029 1031 HG12 ILE 537 HG12 ILE 537 -11.736 10.234 7.032 1032 HG13 ILE 537 HG13 ILE 537 -11.255 8.652 7.619 1033 HG21 ILE 537 HG21 ILE 537 -9.951 11.981 6.507 1034 HG22 ILE 537 HG22 ILE 537 -8.301 11.703 7.063 1035 HG23 ILE 537 HG23 ILE 537 -9.596 11.937 8.234 1036 HD11 ILE 537 HD11 ILE 537 -10.701 9.759 9.817 1037 HD12 ILE 537 HD12 ILE 537 -12.412 9.734 9.383 1038 HD13 ILE 537 HD13 ILE 537 -11.471 11.215 9.186 1039 H ALA 538 H ALA 538 -6.988 8.195 6.220 1040 HA ALA 538 HA ALA 538 -5.440 10.318 5.029 1041 HB1 ALA 538 HB1 ALA 538 -4.449 7.653 6.008 1042 HB2 ALA 538 HB2 ALA 538 -4.659 9.069 7.034 1043 HB3 ALA 538 HB3 ALA 538 -3.494 9.105 5.713 1044 H ASP 539 H ASP 539 -7.333 8.199 3.697 1045 HA ASP 539 HA ASP 539 -5.650 7.443 1.424 1046 HB2 ASP 539 HB2 ASP 539 -8.045 6.376 2.651 1047 HB3 ASP 539 HB3 ASP 539 -8.334 6.691 0.947 1048 H MET 540 H MET 540 -8.345 9.512 2.337 1049 HA MET 540 HA MET 540 -8.699 10.735 -0.217 1050 HB2 MET 540 HB2 MET 540 -9.451 11.619 2.566 1051 HB3 MET 540 HB3 MET 540 -9.864 12.516 1.107 1052 HG2 MET 540 HG2 MET 540 -10.718 9.698 1.743 1053 HG3 MET 540 HG3 MET 540 -11.728 11.135 1.845 1054 HE1 MET 540 HE1 MET 540 -10.850 12.737 -0.795 1055 HE2 MET 540 HE2 MET 540 -12.494 12.541 -0.194 1056 HE3 MET 540 HE3 MET 540 -12.123 12.173 -1.879 1057 H ASP 541 H ASP 541 -6.404 10.999 2.269 1058 HA ASP 541 HA ASP 541 -5.467 13.624 1.807 1059 HB2 ASP 541 HB2 ASP 541 -4.468 11.221 3.262 1060 HB3 ASP 541 HB3 ASP 541 -3.390 12.573 3.015 1061 H PHE 542 H PHE 542 -4.756 10.485 0.393 1062 HA PHE 542 HA PHE 542 -2.199 11.274 -0.679 1063 HB2 PHE 542 HB2 PHE 542 -3.752 8.815 -0.442 1064 HB3 PHE 542 HB3 PHE 542 -2.850 8.921 -1.946 1065 HD1 PHE 542 HD1 PHE 542 -2.525 8.978 1.736 1066 HD2 PHE 542 HD2 PHE 542 -0.532 8.618 -2.006 1067 HE1 PHE 542 HE1 PHE 542 -0.472 8.287 2.895 1068 HE2 PHE 542 HE2 PHE 542 1.519 7.936 -0.843 1069 HZ PHE 542 HZ PHE 542 1.546 7.753 1.597 1070 H SER 543 H SER 543 -5.463 11.342 -1.847 1071 HA SER 543 HA SER 543 -4.743 11.343 -4.646 1072 HB2 SER 543 HB2 SER 543 -7.143 11.686 -5.047 1073 HB3 SER 543 HB3 SER 543 -6.870 10.366 -3.914 1074 HG SER 543 HG SER 543 -7.227 12.015 -2.234 1075 H ALA 544 H ALA 544 -5.001 13.692 -2.170 1076 HA ALA 544 HA ALA 544 -5.306 15.932 -4.011 1077 HB1 ALA 544 HB1 ALA 544 -4.948 15.911 -1.015 1078 HB2 ALA 544 HB2 ALA 544 -6.487 15.998 -1.871 1079 HB3 ALA 544 HB3 ALA 544 -5.328 17.321 -2.004 1080 H LEU 545 H LEU 545 -2.784 14.099 -2.609 1081 HA LEU 545 HA LEU 545 -0.823 16.217 -2.564 1082 HB2 LEU 545 HB2 LEU 545 -0.598 13.266 -2.038 1083 HB3 LEU 545 HB3 LEU 545 0.698 14.408 -1.843 1084 HG LEU 545 HG LEU 545 -1.860 14.552 -0.275 1085 HD11 LEU 545 HD11 LEU 545 -0.646 13.553 1.566 1086 HD12 LEU 545 HD12 LEU 545 0.783 13.377 0.551 1087 HD13 LEU 545 HD13 LEU 545 -0.676 12.457 0.189 1088 HD21 LEU 545 HD21 LEU 545 0.817 15.904 0.057 1089 HD22 LEU 545 HD22 LEU 545 -0.467 15.934 1.265 1090 HD23 LEU 545 HD23 LEU 545 -0.727 16.675 -0.314 1091 H LEU 546 H LEU 546 -1.563 13.381 -4.573 1092 HA LEU 546 HA LEU 546 0.843 13.630 -6.151 1093 HB2 LEU 546 HB2 LEU 546 -1.646 11.971 -6.539 1094 HB3 LEU 546 HB3 LEU 546 -0.268 11.905 -7.609 1095 HG LEU 546 HG LEU 546 -0.178 11.225 -4.676 1096 HD11 LEU 546 HD11 LEU 546 -0.039 8.882 -5.464 1097 HD12 LEU 546 HD12 LEU 546 -0.392 9.440 -7.098 1098 HD13 LEU 546 HD13 LEU 546 -1.590 9.638 -5.818 1099 HD21 LEU 546 HD21 LEU 546 1.989 10.202 -5.241 1100 HD22 LEU 546 HD22 LEU 546 1.976 11.930 -5.590 1101 HD23 LEU 546 HD23 LEU 546 1.810 10.768 -6.903 1102 H SER 547 H SER 547 -2.424 14.731 -6.325 1103 HA SER 547 HA SER 547 -2.125 15.768 -9.034 1104 HB2 SER 547 HB2 SER 547 -4.478 16.508 -8.775 1105 HB3 SER 547 HB3 SER 547 -4.281 14.786 -8.453 1106 HG SER 547 HG SER 547 -4.602 16.885 -6.579 1107 H GLN 548 H GLN 548 -2.992 17.155 -5.838 1108 HA GLN 548 HA GLN 548 -2.811 19.222 -4.936 1109 HB2 GLN 548 HB2 GLN 548 -0.185 18.769 -6.238 1110 HB3 GLN 548 HB3 GLN 548 -0.521 20.395 -5.668 1111 HG2 GLN 548 HG2 GLN 548 -1.017 19.431 -3.417 1112 HG3 GLN 548 HG3 GLN 548 -0.495 17.877 -4.042 1113 HE21 GLN 548 HE21 GLN 548 1.622 17.394 -4.101 1114 HE22 GLN 548 HE22 GLN 548 2.887 18.458 -3.600 1115 H ILE 549 H ILE 549 -4.397 20.497 -5.637 1116 HA ILE 549 HA ILE 549 -4.111 21.895 -8.203 1117 HB ILE 549 HB ILE 549 -6.551 21.680 -6.396 1118 HG12 ILE 549 HG12 ILE 549 -6.196 20.481 -9.151 1119 HG13 ILE 549 HG13 ILE 549 -5.859 19.586 -7.675 1120 HG21 ILE 549 HG21 ILE 549 -6.557 23.788 -7.628 1121 HG22 ILE 549 HG22 ILE 549 -7.812 22.705 -8.231 1122 HG23 ILE 549 HG23 ILE 549 -6.317 22.915 -9.143 1123 HD11 ILE 549 HD11 ILE 549 -8.194 19.863 -6.988 1124 HD12 ILE 549 HD12 ILE 549 -8.052 19.036 -8.540 1125 HD13 ILE 549 HD13 ILE 549 -8.522 20.735 -8.487 1126 H SER 550 H SER 550 -3.097 23.771 -8.103 1127 HA SER 550 HA SER 550 -3.577 25.558 -5.807 1128 HB2 SER 550 HB2 SER 550 -1.057 25.239 -7.456 1129 HB3 SER 550 HB3 SER 550 -1.298 26.484 -6.231 1130 HG SER 550 HG SER 550 -1.546 23.717 -5.682 1131 H SER 551 H SER 551 -4.077 27.662 -6.201 1132 HA SER 551 HA SER 551 -4.566 28.393 -9.006 1133 HB2 SER 551 HB2 SER 551 -6.578 28.349 -7.604 1134 HB3 SER 551 HB3 SER 551 -5.833 29.476 -6.472 1135 HG SER 551 HG SER 551 -6.934 29.935 -8.982 Start of MODEL 14 1 H2 PRO 1 H2 PRO 1 17.846 -3.210 -7.801 2 H3 PRO 1 H1 PRO 1 17.409 -2.629 -6.340 3 HA PRO 1 HA PRO 1 19.818 -2.568 -7.547 4 HB2 PRO 1 HB2 PRO 1 19.120 0.253 -6.835 5 HB3 PRO 1 HB3 PRO 1 20.363 -0.360 -7.951 6 HG2 PRO 1 HG2 PRO 1 18.203 0.496 -9.001 7 HG3 PRO 1 HG3 PRO 1 18.707 -0.977 -9.492 8 HD2 PRO 1 HD2 PRO 1 16.671 -0.589 -7.176 9 HD3 PRO 1 HD3 PRO 1 16.342 -1.502 -8.490 10 H SER 2 H SER 2 17.698 -1.230 -5.039 11 HA SER 2 HA SER 2 19.797 -1.782 -3.046 12 HB2 SER 2 HB2 SER 2 19.233 0.574 -3.052 13 HB3 SER 2 HB3 SER 2 17.516 0.204 -2.920 14 HG SER 2 HG SER 2 19.181 -0.852 -0.963 15 H HIS 3 H HIS 3 16.279 -1.891 -3.575 16 HA HIS 3 HA HIS 3 14.659 -3.349 -2.993 17 HB2 HIS 3 HB2 HIS 3 16.944 -5.170 -2.283 18 HB3 HIS 3 HB3 HIS 3 15.280 -5.673 -2.282 19 HD1 HIS 3 HD1 HIS 3 17.017 -7.228 -4.091 20 HD2 HIS 3 HD2 HIS 3 15.253 -3.666 -5.306 21 HE1 HIS 3 HE1 HIS 3 16.972 -7.320 -6.604 22 HE2 HIS 3 HE2 HIS 3 15.798 -5.206 -7.307 23 H SER 4 H SER 4 16.856 -2.289 -0.604 24 HA SER 4 HA SER 4 14.808 -2.636 1.445 25 HB2 SER 4 HB2 SER 4 16.358 -3.494 3.094 26 HB3 SER 4 HB3 SER 4 16.404 -4.537 1.676 27 HG SER 4 HG SER 4 18.386 -3.057 2.804 28 H GLY 5 H GLY 5 14.861 -1.155 3.127 29 HA2 GLY 5 HA2 GLY 5 16.909 0.901 3.195 30 HA3 GLY 5 HA3 GLY 5 15.321 1.447 2.686 31 H ALA 6 H ALA 6 14.186 2.333 4.250 32 HA ALA 6 HA ALA 6 13.942 0.976 6.821 33 HB1 ALA 6 HB1 ALA 6 14.271 3.009 8.114 34 HB2 ALA 6 HB2 ALA 6 14.664 3.903 6.641 35 HB3 ALA 6 HB3 ALA 6 15.724 2.606 7.200 36 H ALA 7 H ALA 7 11.830 0.922 7.418 37 HA ALA 7 HA ALA 7 9.999 2.995 6.462 38 HB1 ALA 7 HB1 ALA 7 9.584 0.067 5.920 39 HB2 ALA 7 HB2 ALA 7 9.935 1.316 4.725 40 HB3 ALA 7 HB3 ALA 7 8.409 1.339 5.610 41 H ILE 8 H ILE 8 8.057 3.187 7.614 42 HA ILE 8 HA ILE 8 7.890 1.694 10.158 43 HB ILE 8 HB ILE 8 6.800 4.445 9.481 44 HG12 ILE 8 HG12 ILE 8 8.922 3.671 11.489 45 HG13 ILE 8 HG13 ILE 8 9.262 4.293 9.888 46 HG21 ILE 8 HG21 ILE 8 6.592 2.940 12.094 47 HG22 ILE 8 HG22 ILE 8 5.264 3.278 10.986 48 HG23 ILE 8 HG23 ILE 8 6.075 4.605 11.816 49 HD11 ILE 8 HD11 ILE 8 7.761 5.778 12.031 50 HD12 ILE 8 HD12 ILE 8 8.258 6.409 10.459 51 HD13 ILE 8 HD13 ILE 8 9.474 5.981 11.661 52 H PHE 9 H PHE 9 6.016 0.654 10.690 53 HA PHE 9 HA PHE 9 3.686 0.829 8.931 54 HB2 PHE 9 HB2 PHE 9 5.139 -0.974 8.024 55 HB3 PHE 9 HB3 PHE 9 5.062 -1.803 9.568 56 HD1 PHE 9 HD1 PHE 9 3.031 -0.683 6.674 57 HD2 PHE 9 HD2 PHE 9 3.278 -3.261 10.055 58 HE1 PHE 9 HE1 PHE 9 1.036 -1.884 5.899 59 HE2 PHE 9 HE2 PHE 9 1.281 -4.471 9.280 60 HZ PHE 9 HZ PHE 9 0.156 -3.783 7.201 61 H GLU 10 H GLU 10 2.016 1.152 10.195 62 HA GLU 10 HA GLU 10 0.570 1.207 11.937 63 HB2 GLU 10 HB2 GLU 10 1.827 -1.445 12.643 64 HB3 GLU 10 HB3 GLU 10 0.374 -0.804 13.393 65 HG2 GLU 10 HG2 GLU 10 -0.737 -0.808 11.211 66 HG3 GLU 10 HG3 GLU 10 0.715 -1.491 10.481 67 H LYS 11 H LYS 11 2.853 2.679 12.225 68 HA LYS 11 HA LYS 11 3.811 4.103 13.696 69 HB2 LYS 11 HB2 LYS 11 2.089 2.789 15.772 70 HB3 LYS 11 HB3 LYS 11 3.055 4.236 16.024 71 HG2 LYS 11 HG2 LYS 11 0.855 3.978 13.982 72 HG3 LYS 11 HG3 LYS 11 0.678 4.721 15.573 73 HD2 LYS 11 HD2 LYS 11 2.485 6.323 14.955 74 HD3 LYS 11 HD3 LYS 11 2.483 5.598 13.350 75 HE2 LYS 11 HE2 LYS 11 0.127 6.259 13.064 76 HE3 LYS 11 HE3 LYS 11 0.172 7.032 14.647 77 HZ1 LYS 11 HZ1 LYS 11 1.834 7.794 12.305 78 HZ2 LYS 11 HZ2 LYS 11 1.872 8.540 13.821 79 HZ3 LYS 11 HZ3 LYS 11 0.478 8.636 12.868 80 H VAL 12 H VAL 12 4.291 0.793 13.925 81 HA VAL 12 HA VAL 12 6.541 1.060 15.769 82 HB VAL 12 HB VAL 12 5.410 -1.413 14.427 83 HG11 VAL 12 HG11 VAL 12 6.847 -2.703 15.955 84 HG12 VAL 12 HG12 VAL 12 7.658 -1.204 16.399 85 HG13 VAL 12 HG13 VAL 12 7.734 -1.790 14.740 86 HG21 VAL 12 HG21 VAL 12 3.907 -0.607 16.142 87 HG22 VAL 12 HG22 VAL 12 5.233 -0.536 17.304 88 HG23 VAL 12 HG23 VAL 12 4.693 -2.095 16.679 89 H SER 13 H SER 13 8.451 1.643 15.026 90 HA SER 13 HA SER 13 8.893 1.879 12.197 91 HB2 SER 13 HB2 SER 13 9.656 3.694 13.591 92 HB3 SER 13 HB3 SER 13 10.632 2.588 14.564 93 HG SER 13 HG SER 13 12.162 2.997 13.199 94 H GLY 14 H GLY 14 10.355 0.880 10.928 95 HA2 GLY 14 HA2 GLY 14 12.066 -1.209 11.978 96 HA3 GLY 14 HA3 GLY 14 10.691 -1.783 11.053 97 H ILE 15 H ILE 15 12.200 -2.716 9.638 98 HA ILE 15 HA ILE 15 13.310 -0.820 7.677 99 HB ILE 15 HB ILE 15 14.554 -3.326 8.814 100 HG12 ILE 15 HG12 ILE 15 15.798 -0.591 8.431 101 HG13 ILE 15 HG13 ILE 15 15.010 -1.114 9.902 102 HG21 ILE 15 HG21 ILE 15 14.794 -3.626 6.453 103 HG22 ILE 15 HG22 ILE 15 16.360 -3.176 7.134 104 HG23 ILE 15 HG23 ILE 15 15.403 -1.980 6.258 105 HD11 ILE 15 HD11 ILE 15 17.540 -2.227 8.724 106 HD12 ILE 15 HD12 ILE 15 16.715 -2.900 10.130 107 HD13 ILE 15 HD13 ILE 15 17.372 -1.263 10.191 108 H ILE 16 H ILE 16 12.905 -1.282 5.548 109 HA ILE 16 HA ILE 16 11.071 -3.504 5.021 110 HB ILE 16 HB ILE 16 10.841 -0.837 4.419 111 HG12 ILE 16 HG12 ILE 16 9.438 -3.071 2.945 112 HG13 ILE 16 HG13 ILE 16 9.083 -2.602 4.599 113 HG21 ILE 16 HG21 ILE 16 11.211 -2.035 1.692 114 HG22 ILE 16 HG22 ILE 16 12.564 -1.258 2.527 115 HG23 ILE 16 HG23 ILE 16 11.104 -0.327 2.167 116 HD11 ILE 16 HD11 ILE 16 8.535 -0.303 3.694 117 HD12 ILE 16 HD12 ILE 16 7.426 -1.598 3.270 118 HD13 ILE 16 HD13 ILE 16 8.600 -1.022 2.085 119 H ALA 17 H ALA 17 11.479 -5.067 3.531 120 HA ALA 17 HA ALA 17 13.926 -4.894 1.914 121 HB1 ALA 17 HB1 ALA 17 14.527 -7.198 2.466 122 HB2 ALA 17 HB2 ALA 17 13.162 -7.294 3.580 123 HB3 ALA 17 HB3 ALA 17 14.496 -6.188 3.912 124 H ILE 18 H ILE 18 13.849 -5.951 -0.067 125 HA ILE 18 HA ILE 18 11.212 -6.989 -0.831 126 HB ILE 18 HB ILE 18 13.408 -5.877 -2.590 127 HG12 ILE 18 HG12 ILE 18 10.582 -4.927 -2.180 128 HG13 ILE 18 HG13 ILE 18 11.950 -4.266 -1.306 129 HG21 ILE 18 HG21 ILE 18 11.821 -6.186 -4.473 130 HG22 ILE 18 HG22 ILE 18 10.797 -7.145 -3.397 131 HG23 ILE 18 HG23 ILE 18 12.426 -7.701 -3.800 132 HD11 ILE 18 HD11 ILE 18 11.151 -3.939 -4.158 133 HD12 ILE 18 HD12 ILE 18 12.848 -3.799 -3.714 134 HD13 ILE 18 HD13 ILE 18 11.659 -2.725 -2.978 135 H ASN 19 H ASN 19 10.960 -8.933 -1.744 136 HA ASN 19 HA ASN 19 13.133 -10.872 -1.340 137 HB2 ASN 19 HB2 ASN 19 10.650 -10.910 -0.162 138 HB3 ASN 19 HB3 ASN 19 10.334 -11.833 -1.624 139 HD21 ASN 19 HD21 ASN 19 9.883 -13.531 0.029 140 HD22 ASN 19 HD22 ASN 19 11.204 -14.503 0.569 141 H GLU 20 H GLU 20 14.096 -10.970 -3.329 142 HA GLU 20 HA GLU 20 12.412 -11.930 -5.544 143 HB2 GLU 20 HB2 GLU 20 14.865 -10.176 -5.707 144 HB3 GLU 20 HB3 GLU 20 14.110 -10.942 -7.091 145 HG2 GLU 20 HG2 GLU 20 12.153 -9.629 -6.867 146 HG3 GLU 20 HG3 GLU 20 12.660 -9.034 -5.291 147 H ASP 21 H ASP 21 13.839 -13.208 -7.204 148 HA ASP 21 HA ASP 21 14.948 -15.152 -7.663 149 HB2 ASP 21 HB2 ASP 21 16.442 -14.640 -5.078 150 HB3 ASP 21 HB3 ASP 21 16.823 -15.922 -6.214 151 H VAL 22 H VAL 22 12.837 -14.637 -5.326 152 HA VAL 22 HA VAL 22 12.596 -17.395 -4.362 153 HB VAL 22 HB VAL 22 10.946 -16.435 -2.728 154 HG11 VAL 22 HG11 VAL 22 12.642 -15.351 -1.290 155 HG12 VAL 22 HG12 VAL 22 13.735 -15.293 -2.675 156 HG13 VAL 22 HG13 VAL 22 13.209 -16.848 -2.030 157 HG21 VAL 22 HG21 VAL 22 11.906 -13.736 -3.725 158 HG22 VAL 22 HG22 VAL 22 10.871 -14.008 -2.321 159 HG23 VAL 22 HG23 VAL 22 10.283 -14.393 -3.937 160 H SER 23 H SER 23 10.010 -17.764 -3.911 161 HA SER 23 HA SER 23 8.684 -17.787 -6.463 162 HB2 SER 23 HB2 SER 23 6.863 -18.831 -5.230 163 HB3 SER 23 HB3 SER 23 8.379 -19.509 -4.642 164 HG SER 23 HG SER 23 8.211 -17.885 -2.927 165 HA PRO 24 HA PRO 24 7.207 -14.273 -7.484 166 HB2 PRO 24 HB2 PRO 24 4.573 -14.038 -6.076 167 HB3 PRO 24 HB3 PRO 24 4.981 -13.684 -7.759 168 HG2 PRO 24 HG2 PRO 24 3.800 -15.920 -7.168 169 HG3 PRO 24 HG3 PRO 24 4.994 -15.922 -8.282 170 HD2 PRO 24 HD2 PRO 24 5.109 -16.915 -5.597 171 HD3 PRO 24 HD3 PRO 24 5.907 -17.481 -6.904 172 H ALA 25 H ALA 25 7.981 -12.348 -6.968 173 HA ALA 25 HA ALA 25 9.278 -12.067 -4.583 174 HB1 ALA 25 HB1 ALA 25 8.657 -10.032 -6.696 175 HB2 ALA 25 HB2 ALA 25 10.165 -10.918 -6.429 176 HB3 ALA 25 HB3 ALA 25 9.659 -9.663 -5.296 177 H GLU 26 H GLU 26 9.062 -11.007 -2.715 178 HA GLU 26 HA GLU 26 6.508 -9.714 -2.179 179 HB2 GLU 26 HB2 GLU 26 7.271 -11.144 0.157 180 HB3 GLU 26 HB3 GLU 26 5.824 -11.290 -0.785 181 HG2 GLU 26 HG2 GLU 26 6.673 -13.045 -2.056 182 HG3 GLU 26 HG3 GLU 26 8.325 -12.727 -1.530 183 H LEU 27 H LEU 27 6.483 -8.007 -0.798 184 HA LEU 27 HA LEU 27 9.125 -7.027 -0.019 185 HB2 LEU 27 HB2 LEU 27 7.767 -5.458 -1.311 186 HB3 LEU 27 HB3 LEU 27 6.451 -5.621 -0.193 187 HG LEU 27 HG LEU 27 7.975 -4.632 1.583 188 HD11 LEU 27 HD11 LEU 27 9.864 -3.362 0.931 189 HD12 LEU 27 HD12 LEU 27 9.551 -3.659 -0.781 190 HD13 LEU 27 HD13 LEU 27 10.075 -4.977 0.263 191 HD21 LEU 27 HD21 LEU 27 6.137 -3.423 0.528 192 HD22 LEU 27 HD22 LEU 27 7.214 -2.922 -0.776 193 HD23 LEU 27 HD23 LEU 27 7.500 -2.362 0.869 194 H THR 28 H THR 28 9.777 -7.476 1.889 195 HA THR 28 HA THR 28 7.824 -8.206 3.966 196 HB THR 28 HB THR 28 10.740 -8.993 3.663 197 HG1 THR 28 HG1 THR 28 9.179 -10.004 2.218 198 HG21 THR 28 HG21 THR 28 8.685 -9.811 5.730 199 HG22 THR 28 HG22 THR 28 10.203 -8.942 6.026 200 HG23 THR 28 HG23 THR 28 10.232 -10.623 5.480 201 H TRP 29 H TRP 29 7.415 -6.457 5.200 202 HA TRP 29 HA TRP 29 9.545 -4.719 6.125 203 HB2 TRP 29 HB2 TRP 29 7.350 -3.696 5.757 204 HB3 TRP 29 HB3 TRP 29 6.601 -4.825 6.874 205 HD1 TRP 29 HD1 TRP 29 8.678 -1.627 6.800 206 HE1 TRP 29 HE1 TRP 29 8.784 -0.613 9.162 207 HE3 TRP 29 HE3 TRP 29 6.475 -5.429 9.433 208 HZ2 TRP 29 HZ2 TRP 29 8.041 -1.334 11.799 209 HZ3 TRP 29 HZ3 TRP 29 6.212 -5.171 11.866 210 HH2 TRP 29 HH2 TRP 29 6.978 -3.160 13.018 211 H ARG 30 H ARG 30 10.620 -4.913 7.973 212 HA ARG 30 HA ARG 30 9.562 -6.700 10.056 213 HB2 ARG 30 HB2 ARG 30 12.445 -6.385 9.217 214 HB3 ARG 30 HB3 ARG 30 11.920 -7.213 10.666 215 HG2 ARG 30 HG2 ARG 30 10.715 -8.843 9.319 216 HG3 ARG 30 HG3 ARG 30 11.244 -8.019 7.857 217 HD2 ARG 30 HD2 ARG 30 12.764 -9.715 8.046 218 HD3 ARG 30 HD3 ARG 30 13.616 -8.389 8.821 219 HE ARG 30 HE ARG 30 12.102 -10.321 10.437 220 HH11 ARG 30 HH11 ARG 30 15.183 -8.838 9.627 221 HH12 ARG 30 HH12 ARG 30 16.004 -9.536 10.984 222 HH21 ARG 30 HH21 ARG 30 13.198 -11.219 12.203 223 HH22 ARG 30 HH22 ARG 30 14.880 -10.881 12.439 224 H SER 31 H SER 31 9.859 -6.029 12.168 225 HA SER 31 HA SER 31 10.167 -3.251 12.681 226 HB2 SER 31 HB2 SER 31 9.987 -3.912 15.046 227 HB3 SER 31 HB3 SER 31 8.747 -4.676 14.070 228 HG SER 31 HG SER 31 9.906 -6.584 14.159 229 H THR 32 H THR 32 11.843 -2.343 14.164 230 HA THR 32 HA THR 32 14.330 -2.487 12.951 231 HB THR 32 HB THR 32 15.206 -1.259 15.006 232 HG1 THR 32 HG1 THR 32 12.469 -1.559 15.729 233 HG21 THR 32 HG21 THR 32 12.735 -0.079 13.733 234 HG22 THR 32 HG22 THR 32 14.311 -0.163 12.943 235 HG23 THR 32 HG23 THR 32 14.109 0.792 14.413 236 H ASP 33 H ASP 33 13.139 -4.510 15.502 237 HA ASP 33 HA ASP 33 15.786 -5.745 15.835 238 HB2 ASP 33 HB2 ASP 33 13.214 -6.340 17.320 239 HB3 ASP 33 HB3 ASP 33 14.803 -7.004 17.685 240 H GLY 34 H GLY 34 12.586 -6.290 14.550 241 HA2 GLY 34 HA2 GLY 34 12.115 -7.675 12.708 242 HA3 GLY 34 HA3 GLY 34 13.521 -8.654 13.071 243 H ASP 35 H ASP 35 11.555 -7.877 15.769 244 HA ASP 35 HA ASP 35 10.597 -10.565 16.097 245 HB2 ASP 35 HB2 ASP 35 9.517 -9.686 18.135 246 HB3 ASP 35 HB3 ASP 35 11.201 -9.189 18.042 247 H LYS 36 H LYS 36 9.334 -7.553 14.860 248 HA LYS 36 HA LYS 36 6.753 -8.828 14.240 249 HB2 LYS 36 HB2 LYS 36 7.573 -5.907 14.147 250 HB3 LYS 36 HB3 LYS 36 6.001 -6.526 13.685 251 HG2 LYS 36 HG2 LYS 36 5.680 -7.335 15.976 252 HG3 LYS 36 HG3 LYS 36 7.232 -6.618 16.424 253 HD2 LYS 36 HD2 LYS 36 6.346 -4.436 15.557 254 HD3 LYS 36 HD3 LYS 36 4.765 -5.216 15.437 255 HE2 LYS 36 HE2 LYS 36 4.803 -4.072 17.515 256 HE3 LYS 36 HE3 LYS 36 4.960 -5.794 17.860 257 HZ1 LYS 36 HZ1 LYS 36 7.185 -3.826 17.793 258 HZ2 LYS 36 HZ2 LYS 36 7.351 -5.480 18.100 259 HZ3 LYS 36 HZ3 LYS 36 6.500 -4.500 19.186 260 H VAL 37 H VAL 37 6.163 -9.162 12.113 261 HA VAL 37 HA VAL 37 7.791 -8.058 9.983 262 HB VAL 37 HB VAL 37 9.142 -9.952 10.492 263 HG11 VAL 37 HG11 VAL 37 7.606 -11.321 11.768 264 HG12 VAL 37 HG12 VAL 37 8.356 -12.275 10.487 265 HG13 VAL 37 HG13 VAL 37 6.696 -11.707 10.306 266 HG21 VAL 37 HG21 VAL 37 7.598 -10.921 8.115 267 HG22 VAL 37 HG22 VAL 37 9.342 -10.955 8.404 268 HG23 VAL 37 HG23 VAL 37 8.530 -9.427 8.064 269 H HIS 38 H HIS 38 6.667 -7.663 8.187 270 HA HIS 38 HA HIS 38 4.090 -9.026 7.732 271 HB2 HIS 38 HB2 HIS 38 4.745 -6.096 7.305 272 HB3 HIS 38 HB3 HIS 38 3.266 -6.869 6.752 273 HD1 HIS 38 HD1 HIS 38 1.437 -7.298 8.494 274 HD2 HIS 38 HD2 HIS 38 4.911 -5.679 10.102 275 HE1 HIS 38 HE1 HIS 38 0.841 -6.628 10.843 276 HE2 HIS 38 HE2 HIS 38 2.935 -5.576 11.769 277 H THR 39 H THR 39 3.519 -9.342 5.492 278 HA THR 39 HA THR 39 5.793 -9.128 3.628 279 HB THR 39 HB THR 39 4.083 -11.576 4.098 280 HG1 THR 39 HG1 THR 39 6.531 -10.747 4.990 281 HG21 THR 39 HG21 THR 39 5.422 -12.709 2.410 282 HG22 THR 39 HG22 THR 39 6.324 -11.226 2.108 283 HG23 THR 39 HG23 THR 39 4.611 -11.314 1.690 284 H VAL 40 H VAL 40 5.342 -8.718 1.509 285 HA VAL 40 HA VAL 40 2.525 -8.516 0.643 286 HB VAL 40 HB VAL 40 4.696 -6.476 0.083 287 HG11 VAL 40 HG11 VAL 40 3.123 -5.163 -1.122 288 HG12 VAL 40 HG12 VAL 40 1.808 -6.255 -0.695 289 HG13 VAL 40 HG13 VAL 40 3.073 -6.797 -1.800 290 HG21 VAL 40 HG21 VAL 40 3.200 -4.898 1.300 291 HG22 VAL 40 HG22 VAL 40 3.952 -6.135 2.307 292 HG23 VAL 40 HG23 VAL 40 2.261 -6.294 1.829 293 H VAL 41 H VAL 41 2.426 -10.176 -0.860 294 HA VAL 41 HA VAL 41 4.571 -10.716 -2.727 295 HB VAL 41 HB VAL 41 1.733 -11.815 -2.576 296 HG11 VAL 41 HG11 VAL 41 4.033 -12.724 -4.321 297 HG12 VAL 41 HG12 VAL 41 2.554 -11.945 -4.876 298 HG13 VAL 41 HG13 VAL 41 2.485 -13.553 -4.155 299 HG21 VAL 41 HG21 VAL 41 2.788 -13.856 -1.743 300 HG22 VAL 41 HG22 VAL 41 3.171 -12.486 -0.700 301 HG23 VAL 41 HG23 VAL 41 4.373 -13.091 -1.840 302 H LEU 42 H LEU 42 4.862 -9.581 -4.590 303 HA LEU 42 HA LEU 42 3.014 -7.463 -5.160 304 HB2 LEU 42 HB2 LEU 42 5.595 -8.190 -6.549 305 HB3 LEU 42 HB3 LEU 42 4.610 -6.827 -6.997 306 HG LEU 42 HG LEU 42 6.102 -7.172 -4.392 307 HD11 LEU 42 HD11 LEU 42 7.551 -6.607 -6.243 308 HD12 LEU 42 HD12 LEU 42 7.399 -5.253 -5.125 309 HD13 LEU 42 HD13 LEU 42 6.520 -5.238 -6.644 310 HD21 LEU 42 HD21 LEU 42 5.391 -4.913 -3.828 311 HD22 LEU 42 HD22 LEU 42 4.017 -6.009 -3.972 312 HD23 LEU 42 HD23 LEU 42 4.378 -4.871 -5.270 313 H SER 43 H SER 43 3.465 -10.617 -6.484 314 HA SER 43 HA SER 43 2.255 -10.156 -9.033 315 HB2 SER 43 HB2 SER 43 2.090 -12.567 -9.201 316 HB3 SER 43 HB3 SER 43 3.622 -12.169 -8.433 317 HG SER 43 HG SER 43 2.254 -13.895 -7.454 318 H THR 44 H THR 44 1.064 -9.824 -5.993 319 HA THR 44 HA THR 44 -1.730 -10.315 -6.793 320 HB THR 44 HB THR 44 -2.303 -10.504 -4.433 321 HG1 THR 44 HG1 THR 44 -0.974 -9.912 -2.882 322 HG21 THR 44 HG21 THR 44 -1.136 -12.567 -3.840 323 HG22 THR 44 HG22 THR 44 0.096 -12.218 -5.055 324 HG23 THR 44 HG23 THR 44 -1.565 -12.558 -5.553 325 H ILE 45 H ILE 45 0.471 -7.954 -6.648 326 HA ILE 45 HA ILE 45 -1.279 -5.859 -5.547 327 HB ILE 45 HB ILE 45 1.707 -5.917 -6.029 328 HG12 ILE 45 HG12 ILE 45 1.031 -7.115 -4.011 329 HG13 ILE 45 HG13 ILE 45 1.899 -5.655 -3.580 330 HG21 ILE 45 HG21 ILE 45 0.733 -3.662 -6.534 331 HG22 ILE 45 HG22 ILE 45 1.953 -3.689 -5.264 332 HG23 ILE 45 HG23 ILE 45 0.244 -3.568 -4.840 333 HD11 ILE 45 HD11 ILE 45 -1.086 -6.057 -3.422 334 HD12 ILE 45 HD12 ILE 45 -0.234 -4.571 -3.005 335 HD13 ILE 45 HD13 ILE 45 0.038 -6.039 -2.071 336 H ASP 46 H ASP 46 -1.811 -4.051 -6.757 337 HA ASP 46 HA ASP 46 -1.412 -4.349 -9.657 338 HB2 ASP 46 HB2 ASP 46 -3.744 -4.645 -8.930 339 HB3 ASP 46 HB3 ASP 46 -3.732 -3.076 -8.187 340 H LYS 47 H LYS 47 -1.744 -1.890 -7.111 341 HA LYS 47 HA LYS 47 -0.207 -0.016 -8.746 342 HB2 LYS 47 HB2 LYS 47 -2.813 0.298 -7.301 343 HB3 LYS 47 HB3 LYS 47 -1.747 1.686 -7.405 344 HG2 LYS 47 HG2 LYS 47 -2.104 1.971 -9.571 345 HG3 LYS 47 HG3 LYS 47 -2.203 0.256 -9.887 346 HD2 LYS 47 HD2 LYS 47 -4.483 0.181 -9.031 347 HD3 LYS 47 HD3 LYS 47 -4.393 1.885 -8.600 348 HE2 LYS 47 HE2 LYS 47 -5.644 1.713 -10.628 349 HE3 LYS 47 HE3 LYS 47 -4.080 2.412 -11.020 350 HZ1 LYS 47 HZ1 LYS 47 -4.721 0.721 -12.626 351 HZ2 LYS 47 HZ2 LYS 47 -4.806 -0.442 -11.400 352 HZ3 LYS 47 HZ3 LYS 47 -3.321 0.265 -11.794 353 H LEU 48 H LEU 48 0.694 1.835 -7.451 354 HA LEU 48 HA LEU 48 1.216 1.352 -4.607 355 HB2 LEU 48 HB2 LEU 48 3.749 2.043 -5.416 356 HB3 LEU 48 HB3 LEU 48 3.245 0.412 -5.040 357 HG LEU 48 HG LEU 48 2.654 0.232 -7.543 358 HD11 LEU 48 HD11 LEU 48 3.390 2.890 -7.547 359 HD12 LEU 48 HD12 LEU 48 3.247 1.847 -8.958 360 HD13 LEU 48 HD13 LEU 48 4.817 2.057 -8.175 361 HD21 LEU 48 HD21 LEU 48 4.870 -0.487 -8.035 362 HD22 LEU 48 HD22 LEU 48 4.492 -0.912 -6.370 363 HD23 LEU 48 HD23 LEU 48 5.527 0.480 -6.720 364 H GLN 49 H GLN 49 1.288 3.324 -3.516 365 HA GLN 49 HA GLN 49 1.540 5.775 -5.138 366 HB2 GLN 49 HB2 GLN 49 -0.684 5.136 -3.182 367 HB3 GLN 49 HB3 GLN 49 -0.367 6.744 -3.778 368 HG2 GLN 49 HG2 GLN 49 -0.817 6.032 -6.056 369 HG3 GLN 49 HG3 GLN 49 -1.093 4.381 -5.506 370 HE21 GLN 49 HE21 GLN 49 -2.947 5.870 -6.975 371 HE22 GLN 49 HE22 GLN 49 -4.329 6.170 -5.983 372 H ALA 50 H ALA 50 3.162 6.992 -4.365 373 HA ALA 50 HA ALA 50 3.773 6.907 -1.475 374 HB1 ALA 50 HB1 ALA 50 5.460 5.854 -2.925 375 HB2 ALA 50 HB2 ALA 50 6.100 7.217 -2.011 376 HB3 ALA 50 HB3 ALA 50 5.708 7.404 -3.724 377 H THR 51 H THR 51 4.579 8.787 -0.442 378 HA THR 51 HA THR 51 3.172 11.176 -1.086 379 HB THR 51 HB THR 51 4.457 12.202 0.817 380 HG1 THR 51 HG1 THR 51 6.324 11.106 1.009 381 HG21 THR 51 HG21 THR 51 2.940 9.614 1.203 382 HG22 THR 51 HG22 THR 51 2.353 11.269 1.402 383 HG23 THR 51 HG23 THR 51 3.494 10.584 2.561 384 HA PRO 52 HA PRO 52 6.244 13.053 -3.926 385 HB2 PRO 52 HB2 PRO 52 4.711 15.498 -3.232 386 HB3 PRO 52 HB3 PRO 52 5.146 14.860 -4.818 387 HG2 PRO 52 HG2 PRO 52 2.701 14.648 -3.896 388 HG3 PRO 52 HG3 PRO 52 3.350 13.460 -4.810 389 HD2 PRO 52 HD2 PRO 52 2.904 13.427 -1.962 390 HD3 PRO 52 HD3 PRO 52 2.840 12.159 -2.990 391 H ALA 53 H ALA 53 7.856 14.744 -3.789 392 HA ALA 53 HA ALA 53 8.988 15.088 -1.187 393 HB1 ALA 53 HB1 ALA 53 10.386 14.819 -3.166 394 HB2 ALA 53 HB2 ALA 53 10.746 16.336 -2.342 395 HB3 ALA 53 HB3 ALA 53 9.778 16.340 -3.816 396 H SER 54 H SER 54 6.603 16.772 -2.845 397 HA SER 54 HA SER 54 7.020 19.289 -1.425 398 HB2 SER 54 HB2 SER 54 5.136 20.109 -2.733 399 HB3 SER 54 HB3 SER 54 6.339 19.378 -3.783 400 HG SER 54 HG SER 54 3.796 18.437 -3.050 401 H SER 55 H SER 55 5.300 16.348 -1.159 402 HA SER 55 HA SER 55 3.111 17.214 0.427 403 HB2 SER 55 HB2 SER 55 2.925 15.174 -0.797 404 HB3 SER 55 HB3 SER 55 4.310 14.482 0.041 405 HG SER 55 HG SER 55 2.075 15.395 1.484 406 H GLU 56 H GLU 56 2.851 17.394 2.560 407 HA GLU 56 HA GLU 56 4.982 17.697 4.371 408 HB2 GLU 56 HB2 GLU 56 2.146 17.051 5.101 409 HB3 GLU 56 HB3 GLU 56 3.309 17.946 6.061 410 HG2 GLU 56 HG2 GLU 56 1.806 19.531 5.184 411 HG3 GLU 56 HG3 GLU 56 3.285 19.685 4.238 412 H LYS 57 H LYS 57 3.441 14.935 3.233 413 HA LYS 57 HA LYS 57 3.797 13.324 5.612 414 HB2 LYS 57 HB2 LYS 57 2.526 12.741 2.960 415 HB3 LYS 57 HB3 LYS 57 2.507 11.691 4.342 416 HG2 LYS 57 HG2 LYS 57 1.276 14.410 4.225 417 HG3 LYS 57 HG3 LYS 57 0.408 12.908 4.012 418 HD2 LYS 57 HD2 LYS 57 1.104 12.247 6.295 419 HD3 LYS 57 HD3 LYS 57 1.782 13.864 6.501 420 HE2 LYS 57 HE2 LYS 57 -0.424 14.834 6.031 421 HE3 LYS 57 HE3 LYS 57 -1.063 13.197 5.824 422 HZ1 LYS 57 HZ1 LYS 57 -0.586 12.728 8.125 423 HZ2 LYS 57 HZ2 LYS 57 -1.560 14.107 8.022 424 HZ3 LYS 57 HZ3 LYS 57 0.092 14.262 8.346 425 H MET 58 H MET 58 4.843 11.359 5.637 426 HA MET 58 HA MET 58 6.520 10.674 3.321 427 HB2 MET 58 HB2 MET 58 7.242 10.497 6.253 428 HB3 MET 58 HB3 MET 58 8.175 9.743 4.982 429 HG2 MET 58 HG2 MET 58 8.633 11.924 3.995 430 HG3 MET 58 HG3 MET 58 7.657 12.702 5.239 431 HE1 MET 58 HE1 MET 58 8.356 13.287 7.500 432 HE2 MET 58 HE2 MET 58 9.780 12.702 8.367 433 HE3 MET 58 HE3 MET 58 8.432 11.608 8.039 434 H MET 59 H MET 59 5.288 9.091 2.477 435 HA MET 59 HA MET 59 4.805 6.669 3.969 436 HB2 MET 59 HB2 MET 59 2.544 8.343 2.897 437 HB3 MET 59 HB3 MET 59 2.358 6.681 3.387 438 HG2 MET 59 HG2 MET 59 2.999 7.278 5.634 439 HG3 MET 59 HG3 MET 59 3.220 8.951 5.176 440 HE1 MET 59 HE1 MET 59 1.142 10.555 4.570 441 HE2 MET 59 HE2 MET 59 -0.556 10.123 4.771 442 HE3 MET 59 HE3 MET 59 0.372 9.474 3.408 443 H LEU 60 H LEU 60 4.214 4.892 2.689 444 HA LEU 60 HA LEU 60 4.236 5.235 -0.227 445 HB2 LEU 60 HB2 LEU 60 6.488 4.622 0.260 446 HB3 LEU 60 HB3 LEU 60 5.989 3.416 1.420 447 HG LEU 60 HG LEU 60 4.953 2.205 -0.624 448 HD11 LEU 60 HD11 LEU 60 5.918 2.634 -2.729 449 HD12 LEU 60 HD12 LEU 60 6.989 3.870 -2.055 450 HD13 LEU 60 HD13 LEU 60 5.247 4.147 -2.121 451 HD21 LEU 60 HD21 LEU 60 7.938 2.411 -0.276 452 HD22 LEU 60 HD22 LEU 60 7.100 1.165 -1.223 453 HD23 LEU 60 HD23 LEU 60 6.849 1.271 0.526 454 H ARG 61 H ARG 61 2.434 4.310 -1.020 455 HA ARG 61 HA ARG 61 1.091 2.313 0.660 456 HB2 ARG 61 HB2 ARG 61 -0.066 4.245 -1.345 457 HB3 ARG 61 HB3 ARG 61 -0.997 2.970 -0.579 458 HG2 ARG 61 HG2 ARG 61 -0.611 3.905 1.579 459 HG3 ARG 61 HG3 ARG 61 0.459 5.122 0.914 460 HD2 ARG 61 HD2 ARG 61 -1.530 5.939 -0.418 461 HD3 ARG 61 HD3 ARG 61 -2.518 4.871 0.576 462 HE ARG 61 HE ARG 61 -1.289 7.365 1.358 463 HH11 ARG 61 HH11 ARG 61 -2.772 4.397 2.520 464 HH12 ARG 61 HH12 ARG 61 -3.163 5.067 4.069 465 HH21 ARG 61 HH21 ARG 61 -1.815 8.217 3.391 466 HH22 ARG 61 HH22 ARG 61 -2.624 7.227 4.559 467 H LEU 62 H LEU 62 0.137 0.504 -0.210 468 HA LEU 62 HA LEU 62 1.084 -0.348 -2.865 469 HB2 LEU 62 HB2 LEU 62 1.120 -1.896 -0.274 470 HB3 LEU 62 HB3 LEU 62 1.452 -2.596 -1.839 471 HG LEU 62 HG LEU 62 3.154 -0.726 -0.213 472 HD11 LEU 62 HD11 LEU 62 4.813 -2.460 -0.456 473 HD12 LEU 62 HD12 LEU 62 3.702 -3.400 -1.451 474 HD13 LEU 62 HD13 LEU 62 3.324 -3.092 0.246 475 HD21 LEU 62 HD21 LEU 62 3.159 0.102 -2.552 476 HD22 LEU 62 HD22 LEU 62 3.719 -1.482 -3.077 477 HD23 LEU 62 HD23 LEU 62 4.726 -0.502 -2.011 478 H ILE 63 H ILE 63 -0.738 -0.491 -4.025 479 HA ILE 63 HA ILE 63 -3.289 -1.171 -2.809 480 HB ILE 63 HB ILE 63 -2.579 -0.359 -5.635 481 HG12 ILE 63 HG12 ILE 63 -3.994 1.227 -3.483 482 HG13 ILE 63 HG13 ILE 63 -2.353 1.499 -4.019 483 HG21 ILE 63 HG21 ILE 63 -4.967 -0.037 -6.055 484 HG22 ILE 63 HG22 ILE 63 -5.330 -0.702 -4.458 485 HG23 ILE 63 HG23 ILE 63 -4.587 -1.723 -5.693 486 HD11 ILE 63 HD11 ILE 63 -4.849 1.908 -5.645 487 HD12 ILE 63 HD12 ILE 63 -3.197 2.145 -6.228 488 HD13 ILE 63 HD13 ILE 63 -3.828 3.160 -4.934 489 H GLY 64 H GLY 64 -4.434 -3.043 -3.135 490 HA2 GLY 64 HA2 GLY 64 -2.912 -5.287 -4.237 491 HA3 GLY 64 HA3 GLY 64 -4.247 -5.407 -3.113 492 H LYS 65 H LYS 65 -3.558 -6.599 -5.820 493 HA LYS 65 HA LYS 65 -5.240 -5.769 -7.872 494 HB2 LYS 65 HB2 LYS 65 -3.469 -7.439 -8.120 495 HB3 LYS 65 HB3 LYS 65 -4.403 -8.588 -7.171 496 HG2 LYS 65 HG2 LYS 65 -6.128 -8.634 -8.864 497 HG3 LYS 65 HG3 LYS 65 -5.270 -7.405 -9.799 498 HD2 LYS 65 HD2 LYS 65 -3.411 -8.906 -10.126 499 HD3 LYS 65 HD3 LYS 65 -4.174 -10.120 -9.106 500 HE2 LYS 65 HE2 LYS 65 -4.658 -10.814 -11.290 501 HE3 LYS 65 HE3 LYS 65 -6.125 -9.998 -10.768 502 HZ1 LYS 65 HZ1 LYS 65 -5.479 -9.374 -13.012 503 HZ2 LYS 65 HZ2 LYS 65 -3.993 -8.797 -12.447 504 HZ3 LYS 65 HZ3 LYS 65 -5.427 -8.037 -11.974 505 H VAL 66 H VAL 66 -7.374 -6.065 -8.385 506 HA VAL 66 HA VAL 66 -9.098 -7.060 -6.253 507 HB VAL 66 HB VAL 66 -9.949 -5.516 -8.712 508 HG11 VAL 66 HG11 VAL 66 -11.724 -6.766 -7.598 509 HG12 VAL 66 HG12 VAL 66 -11.959 -5.026 -7.421 510 HG13 VAL 66 HG13 VAL 66 -11.329 -5.973 -6.074 511 HG21 VAL 66 HG21 VAL 66 -10.008 -3.504 -7.353 512 HG22 VAL 66 HG22 VAL 66 -8.370 -4.156 -7.407 513 HG23 VAL 66 HG23 VAL 66 -9.367 -4.393 -5.972 514 H ASP 67 H ASP 67 -10.224 -8.869 -6.422 515 HA ASP 67 HA ASP 67 -10.652 -10.073 -9.070 516 HB2 ASP 67 HB2 ASP 67 -9.535 -11.479 -7.286 517 HB3 ASP 67 HB3 ASP 67 -11.039 -11.405 -6.374 518 H GLU 68 H GLU 68 -12.379 -8.796 -9.712 519 HA GLU 68 HA GLU 68 -14.707 -8.550 -7.993 520 HB2 GLU 68 HB2 GLU 68 -15.606 -7.049 -9.669 521 HB3 GLU 68 HB3 GLU 68 -13.943 -6.609 -9.315 522 HG2 GLU 68 HG2 GLU 68 -13.237 -7.808 -11.382 523 HG3 GLU 68 HG3 GLU 68 -14.940 -8.097 -11.739 524 H SER 69 H SER 69 -13.651 -10.925 -10.035 525 HA SER 69 HA SER 69 -16.122 -11.665 -11.297 526 HB2 SER 69 HB2 SER 69 -14.966 -13.700 -11.956 527 HB3 SER 69 HB3 SER 69 -13.894 -12.322 -12.190 528 HG SER 69 HG SER 69 -13.685 -14.455 -10.451 529 H LYS 70 H LYS 70 -14.971 -11.899 -8.152 530 HA LYS 70 HA LYS 70 -16.645 -14.180 -7.393 531 HB2 LYS 70 HB2 LYS 70 -14.593 -12.543 -5.896 532 HB3 LYS 70 HB3 LYS 70 -15.557 -13.784 -5.128 533 HG2 LYS 70 HG2 LYS 70 -14.642 -15.452 -6.646 534 HG3 LYS 70 HG3 LYS 70 -13.692 -14.213 -7.451 535 HD2 LYS 70 HD2 LYS 70 -12.461 -13.814 -5.354 536 HD3 LYS 70 HD3 LYS 70 -13.430 -15.040 -4.541 537 HE2 LYS 70 HE2 LYS 70 -12.480 -16.769 -5.936 538 HE3 LYS 70 HE3 LYS 70 -11.642 -15.565 -6.913 539 HZ1 LYS 70 HZ1 LYS 70 -10.163 -16.629 -5.316 540 HZ2 LYS 70 HZ2 LYS 70 -11.129 -16.091 -4.036 541 HZ3 LYS 70 HZ3 LYS 70 -10.308 -14.973 -5.002 542 H LYS 71 H LYS 71 -17.925 -11.857 -8.303 543 HA LYS 71 HA LYS 71 -18.801 -9.887 -6.669 544 HB2 LYS 71 HB2 LYS 71 -20.487 -11.474 -8.617 545 HB3 LYS 71 HB3 LYS 71 -20.978 -9.950 -7.892 546 HG2 LYS 71 HG2 LYS 71 -19.065 -8.842 -8.950 547 HG3 LYS 71 HG3 LYS 71 -18.633 -10.359 -9.727 548 HD2 LYS 71 HD2 LYS 71 -20.803 -10.395 -10.844 549 HD3 LYS 71 HD3 LYS 71 -21.227 -8.849 -10.096 550 HE2 LYS 71 HE2 LYS 71 -19.360 -7.795 -11.231 551 HE3 LYS 71 HE3 LYS 71 -18.896 -9.331 -11.951 552 HZ1 LYS 71 HZ1 LYS 71 -21.449 -7.891 -12.442 553 HZ2 LYS 71 HZ2 LYS 71 -21.012 -9.375 -13.125 554 HZ3 LYS 71 HZ3 LYS 71 -20.142 -7.978 -13.513 555 H ARG 72 H ARG 72 -19.664 -9.777 -4.736 556 HA ARG 72 HA ARG 72 -20.991 -12.136 -3.601 557 HB2 ARG 72 HB2 ARG 72 -18.974 -11.376 -2.447 558 HB3 ARG 72 HB3 ARG 72 -19.640 -9.762 -2.307 559 HG2 ARG 72 HG2 ARG 72 -21.294 -10.484 -0.744 560 HG3 ARG 72 HG3 ARG 72 -20.889 -12.178 -1.019 561 HD2 ARG 72 HD2 ARG 72 -19.938 -11.413 1.081 562 HD3 ARG 72 HD3 ARG 72 -18.657 -11.790 -0.068 563 HE ARG 72 HE ARG 72 -18.130 -9.520 -0.208 564 HH11 ARG 72 HH11 ARG 72 -20.890 -9.989 1.921 565 HH12 ARG 72 HH12 ARG 72 -20.783 -8.397 2.596 566 HH21 ARG 72 HH21 ARG 72 -18.015 -7.442 0.692 567 HH22 ARG 72 HH22 ARG 72 -19.161 -6.959 1.899 568 H LYS 73 H LYS 73 -22.910 -11.863 -2.328 569 HA LYS 73 HA LYS 73 -24.356 -9.336 -2.754 570 HB2 LYS 73 HB2 LYS 73 -25.484 -12.137 -2.989 571 HB3 LYS 73 HB3 LYS 73 -26.464 -10.683 -2.936 572 HG2 LYS 73 HG2 LYS 73 -25.367 -9.874 -4.969 573 HG3 LYS 73 HG3 LYS 73 -24.434 -11.364 -5.029 574 HD2 LYS 73 HD2 LYS 73 -26.481 -12.656 -5.242 575 HD3 LYS 73 HD3 LYS 73 -27.437 -11.174 -5.152 576 HE2 LYS 73 HE2 LYS 73 -26.328 -10.356 -7.185 577 HE3 LYS 73 HE3 LYS 73 -25.419 -11.865 -7.285 578 HZ1 LYS 73 HZ1 LYS 73 -27.334 -11.913 -8.745 579 HZ2 LYS 73 HZ2 LYS 73 -28.375 -11.605 -7.449 580 HZ3 LYS 73 HZ3 LYS 73 -27.517 -13.060 -7.515 581 H ASP 74 H ASP 74 -25.793 -8.731 -1.122 582 HA ASP 74 HA ASP 74 -24.975 -9.580 1.513 583 HB2 ASP 74 HB2 ASP 74 -25.908 -7.576 2.298 584 HB3 ASP 74 HB3 ASP 74 -25.219 -7.197 0.736 585 H ASN 75 H ASN 75 -27.142 -9.248 3.154 586 HA ASN 75 HA ASN 75 -28.327 -11.765 3.078 587 HB2 ASN 75 HB2 ASN 75 -29.059 -9.275 4.601 588 HB3 ASN 75 HB3 ASN 75 -29.964 -10.770 4.799 589 HD21 ASN 75 HD21 ASN 75 -28.684 -9.511 6.888 590 HD22 ASN 75 HD22 ASN 75 -27.369 -10.489 7.435 591 H GLU 76 H GLU 76 -29.515 -8.796 1.639 592 HA GLU 76 HA GLU 76 -32.162 -9.939 1.194 593 HB2 GLU 76 HB2 GLU 76 -31.040 -7.196 0.616 594 HB3 GLU 76 HB3 GLU 76 -32.674 -7.688 0.197 595 HG2 GLU 76 HG2 GLU 76 -33.115 -8.129 2.594 596 HG3 GLU 76 HG3 GLU 76 -31.502 -7.527 2.967 597 H GLY 77 H GLY 77 -29.201 -9.520 -0.501 598 HA2 GLY 77 HA2 GLY 77 -28.827 -10.849 -2.486 599 HA3 GLY 77 HA3 GLY 77 -30.480 -10.517 -2.965 600 H ASN 78 H ASN 78 -28.534 -7.953 -1.678 601 HA ASN 78 HA ASN 78 -28.538 -6.581 -4.249 602 HB2 ASN 78 HB2 ASN 78 -27.628 -5.634 -1.516 603 HB3 ASN 78 HB3 ASN 78 -27.746 -4.630 -2.957 604 HD21 ASN 78 HD21 ASN 78 -29.225 -5.319 -0.164 605 HD22 ASN 78 HD22 ASN 78 -30.863 -4.956 -0.577 606 H GLU 79 H GLU 79 -26.663 -5.844 -5.304 607 HA GLU 79 HA GLU 79 -24.483 -7.690 -5.141 608 HB2 GLU 79 HB2 GLU 79 -23.529 -6.225 -6.997 609 HB3 GLU 79 HB3 GLU 79 -25.065 -7.013 -7.318 610 HG2 GLU 79 HG2 GLU 79 -24.803 -4.179 -6.399 611 HG3 GLU 79 HG3 GLU 79 -24.877 -4.644 -8.091 612 H VAL 80 H VAL 80 -22.858 -7.570 -3.810 613 HA VAL 80 HA VAL 80 -21.715 -4.939 -3.170 614 HB VAL 80 HB VAL 80 -21.783 -7.282 -1.247 615 HG11 VAL 80 HG11 VAL 80 -19.797 -5.924 -0.982 616 HG12 VAL 80 HG12 VAL 80 -20.888 -5.667 0.378 617 HG13 VAL 80 HG13 VAL 80 -20.779 -4.463 -0.905 618 HG21 VAL 80 HG21 VAL 80 -23.361 -6.091 0.093 619 HG22 VAL 80 HG22 VAL 80 -24.005 -6.169 -1.551 620 HG23 VAL 80 HG23 VAL 80 -23.268 -4.678 -0.957 621 H VAL 81 H VAL 81 -20.009 -4.856 -4.439 622 HA VAL 81 HA VAL 81 -18.539 -7.292 -4.994 623 HB VAL 81 HB VAL 81 -18.387 -4.630 -6.394 624 HG11 VAL 81 HG11 VAL 81 -17.244 -5.865 -8.220 625 HG12 VAL 81 HG12 VAL 81 -17.119 -7.253 -7.137 626 HG13 VAL 81 HG13 VAL 81 -16.308 -5.737 -6.730 627 HG21 VAL 81 HG21 VAL 81 -19.614 -5.710 -8.238 628 HG22 VAL 81 HG22 VAL 81 -20.559 -5.612 -6.754 629 HG23 VAL 81 HG23 VAL 81 -19.824 -7.142 -7.231 630 HA PRO 82 HA PRO 82 -15.340 -6.214 -2.045 631 HB2 PRO 82 HB2 PRO 82 -13.688 -8.061 -3.717 632 HB3 PRO 82 HB3 PRO 82 -13.949 -8.063 -1.969 633 HG2 PRO 82 HG2 PRO 82 -15.202 -9.802 -3.372 634 HG3 PRO 82 HG3 PRO 82 -16.064 -8.987 -2.250 635 HD2 PRO 82 HD2 PRO 82 -15.984 -8.405 -5.122 636 HD3 PRO 82 HD3 PRO 82 -17.330 -8.567 -4.210 637 H LYS 83 H LYS 83 -13.916 -4.687 -1.883 638 HA LYS 83 HA LYS 83 -12.991 -3.349 -4.311 639 HB2 LYS 83 HB2 LYS 83 -13.130 -2.416 -1.443 640 HB3 LYS 83 HB3 LYS 83 -12.591 -1.440 -2.771 641 HG2 LYS 83 HG2 LYS 83 -14.766 -1.627 -3.833 642 HG3 LYS 83 HG3 LYS 83 -15.287 -2.583 -2.479 643 HD2 LYS 83 HD2 LYS 83 -14.953 -0.712 -0.958 644 HD3 LYS 83 HD3 LYS 83 -14.384 0.262 -2.310 645 HE2 LYS 83 HE2 LYS 83 -16.591 0.064 -3.372 646 HE3 LYS 83 HE3 LYS 83 -17.164 -0.874 -1.995 647 HZ1 LYS 83 HZ1 LYS 83 -16.202 1.938 -1.891 648 HZ2 LYS 83 HZ2 LYS 83 -16.772 1.041 -0.573 649 HZ3 LYS 83 HZ3 LYS 83 -17.822 1.450 -1.835 650 HA PRO 84 HA PRO 84 -8.675 -4.264 -3.936 651 HB2 PRO 84 HB2 PRO 84 -7.342 -1.905 -4.012 652 HB3 PRO 84 HB3 PRO 84 -8.048 -2.657 -5.438 653 HG2 PRO 84 HG2 PRO 84 -9.122 -0.472 -3.813 654 HG3 PRO 84 HG3 PRO 84 -9.035 -0.579 -5.440 655 HD2 PRO 84 HD2 PRO 84 -11.431 -1.367 -4.260 656 HD3 PRO 84 HD3 PRO 84 -10.907 -2.257 -5.525 657 H GLN 85 H GLN 85 -6.949 -4.430 -2.578 658 HA GLN 85 HA GLN 85 -7.219 -3.357 0.126 659 HB2 GLN 85 HB2 GLN 85 -5.197 -5.319 -0.996 660 HB3 GLN 85 HB3 GLN 85 -5.375 -4.888 0.696 661 HG2 GLN 85 HG2 GLN 85 -7.645 -5.848 0.678 662 HG3 GLN 85 HG3 GLN 85 -7.413 -6.321 -0.999 663 HE21 GLN 85 HE21 GLN 85 -8.083 -8.360 0.484 664 HE22 GLN 85 HE22 GLN 85 -6.736 -9.351 0.918 665 H ARG 86 H ARG 86 -5.205 -2.435 1.178 666 HA ARG 86 HA ARG 86 -3.219 -1.303 -0.623 667 HB2 ARG 86 HB2 ARG 86 -5.239 0.379 0.837 668 HB3 ARG 86 HB3 ARG 86 -3.692 1.034 0.341 669 HG2 ARG 86 HG2 ARG 86 -4.264 0.457 -2.002 670 HG3 ARG 86 HG3 ARG 86 -5.854 -0.063 -1.448 671 HD2 ARG 86 HD2 ARG 86 -4.700 2.697 -1.065 672 HD3 ARG 86 HD3 ARG 86 -5.845 2.251 -2.326 673 HE ARG 86 HE ARG 86 -6.399 2.553 0.523 674 HH11 ARG 86 HH11 ARG 86 -7.623 1.750 -2.672 675 HH12 ARG 86 HH12 ARG 86 -9.282 1.819 -2.179 676 HH21 ARG 86 HH21 ARG 86 -8.583 2.618 1.143 677 HH22 ARG 86 HH22 ARG 86 -9.821 2.312 -0.025 678 H HIS 87 H HIS 87 -1.338 -0.737 0.415 679 HA HIS 87 HA HIS 87 -1.172 -1.193 3.325 680 HB2 HIS 87 HB2 HIS 87 0.934 -2.263 1.455 681 HB3 HIS 87 HB3 HIS 87 0.667 -2.675 3.137 682 HD1 HIS 87 HD1 HIS 87 -1.122 -4.470 3.635 683 HD2 HIS 87 HD2 HIS 87 -0.643 -3.628 -0.407 684 HE1 HIS 87 HE1 HIS 87 -2.292 -6.334 2.415 685 HE2 HIS 87 HE2 HIS 87 -1.912 -5.850 -0.026 686 H MET 88 H MET 88 -0.411 0.619 4.230 687 HA MET 88 HA MET 88 1.328 2.412 2.674 688 HB2 MET 88 HB2 MET 88 -0.781 3.346 3.596 689 HB3 MET 88 HB3 MET 88 -0.236 2.937 5.200 690 HG2 MET 88 HG2 MET 88 1.417 4.776 3.525 691 HG3 MET 88 HG3 MET 88 0.002 5.354 4.367 692 HE1 MET 88 HE1 MET 88 0.788 5.416 7.993 693 HE2 MET 88 HE2 MET 88 -0.279 4.287 7.157 694 HE3 MET 88 HE3 MET 88 -0.202 5.977 6.645 695 H PHE 89 H PHE 89 3.284 3.115 3.379 696 HA PHE 89 HA PHE 89 4.333 2.133 5.945 697 HB2 PHE 89 HB2 PHE 89 5.742 1.940 3.274 698 HB3 PHE 89 HB3 PHE 89 6.535 1.702 4.814 699 HD1 PHE 89 HD1 PHE 89 4.225 0.281 2.372 700 HD2 PHE 89 HD2 PHE 89 6.216 -0.321 6.079 701 HE1 PHE 89 HE1 PHE 89 3.660 -2.104 2.261 702 HE2 PHE 89 HE2 PHE 89 5.644 -2.713 5.996 703 HZ PHE 89 HZ PHE 89 4.369 -3.608 4.089 704 H SER 90 H SER 90 5.299 3.758 7.070 705 HA SER 90 HA SER 90 5.612 6.358 5.816 706 HB2 SER 90 HB2 SER 90 6.061 5.471 8.656 707 HB3 SER 90 HB3 SER 90 6.166 7.136 8.111 708 HG SER 90 HG SER 90 4.117 6.815 8.902 709 H PHE 91 H PHE 91 7.517 7.551 5.703 710 HA PHE 91 HA PHE 91 10.014 5.980 5.795 711 HB2 PHE 91 HB2 PHE 91 8.810 7.519 3.524 712 HB3 PHE 91 HB3 PHE 91 10.560 7.423 3.655 713 HD1 PHE 91 HD1 PHE 91 7.526 5.273 3.600 714 HD2 PHE 91 HD2 PHE 91 11.674 5.619 2.699 715 HE1 PHE 91 HE1 PHE 91 7.464 3.070 2.502 716 HE2 PHE 91 HE2 PHE 91 11.609 3.418 1.597 717 HZ PHE 91 HZ PHE 91 9.553 2.172 1.446 718 H ASN 92 H ASN 92 11.953 7.494 5.339 719 HA ASN 92 HA ASN 92 11.615 10.029 6.791 720 HB2 ASN 92 HB2 ASN 92 14.009 8.175 6.915 721 HB3 ASN 92 HB3 ASN 92 13.907 9.742 7.698 722 HD21 ASN 92 HD21 ASN 92 13.429 6.421 8.079 723 HD22 ASN 92 HD22 ASN 92 12.556 6.465 9.568 724 H ASN 93 H ASN 93 12.657 8.530 3.920 725 HA ASN 93 HA ASN 93 13.679 11.070 2.896 726 HB2 ASN 93 HB2 ASN 93 15.627 9.615 3.672 727 HB3 ASN 93 HB3 ASN 93 15.198 8.509 2.373 728 HD21 ASN 93 HD21 ASN 93 17.676 9.778 2.593 729 HD22 ASN 93 HD22 ASN 93 17.859 10.865 1.263 730 H ARG 94 H ARG 94 13.317 11.414 0.753 731 HA ARG 94 HA ARG 94 11.324 9.820 -0.556 732 HB2 ARG 94 HB2 ARG 94 12.799 12.090 -1.831 733 HB3 ARG 94 HB3 ARG 94 11.170 11.540 -2.135 734 HG2 ARG 94 HG2 ARG 94 12.005 12.720 0.481 735 HG3 ARG 94 HG3 ARG 94 11.496 13.714 -0.879 736 HD2 ARG 94 HD2 ARG 94 9.349 12.605 -0.932 737 HD3 ARG 94 HD3 ARG 94 9.885 11.515 0.332 738 HE ARG 94 HE ARG 94 10.083 14.179 1.228 739 HH11 ARG 94 HH11 ARG 94 7.629 11.741 0.601 740 HH12 ARG 94 HH12 ARG 94 6.523 12.400 1.760 741 HH21 ARG 94 HH21 ARG 94 8.619 15.016 2.734 742 HH22 ARG 94 HH22 ARG 94 7.083 14.249 2.964 743 H THR 95 H THR 95 14.753 9.890 -0.638 744 HA THR 95 HA THR 95 15.057 8.913 -3.329 745 HB THR 95 HB THR 95 17.448 8.633 -2.748 746 HG1 THR 95 HG1 THR 95 18.064 9.352 -0.584 747 HG21 THR 95 HG21 THR 95 16.672 10.870 -3.426 748 HG22 THR 95 HG22 THR 95 17.987 10.975 -2.254 749 HG23 THR 95 HG23 THR 95 16.323 11.257 -1.741 750 H VAL 96 H VAL 96 14.509 7.471 -0.211 751 HA VAL 96 HA VAL 96 15.283 4.799 -1.025 752 HB VAL 96 HB VAL 96 13.603 5.624 1.373 753 HG11 VAL 96 HG11 VAL 96 13.989 3.441 2.274 754 HG12 VAL 96 HG12 VAL 96 15.092 3.033 0.960 755 HG13 VAL 96 HG13 VAL 96 13.374 3.231 0.634 756 HG21 VAL 96 HG21 VAL 96 15.601 5.404 2.720 757 HG22 VAL 96 HG22 VAL 96 15.891 6.571 1.424 758 HG23 VAL 96 HG23 VAL 96 16.541 4.938 1.301 759 H MET 97 H MET 97 12.107 6.274 -0.167 760 HA MET 97 HA MET 97 10.428 4.239 -0.962 761 HB2 MET 97 HB2 MET 97 8.642 5.857 -1.164 762 HB3 MET 97 HB3 MET 97 9.662 6.284 0.196 763 HG2 MET 97 HG2 MET 97 10.692 8.023 -1.055 764 HG3 MET 97 HG3 MET 97 9.786 7.592 -2.499 765 HE1 MET 97 HE1 MET 97 8.637 7.999 1.347 766 HE2 MET 97 HE2 MET 97 8.110 9.681 1.257 767 HE3 MET 97 HE3 MET 97 9.799 9.268 0.957 768 H ASP 98 H ASP 98 11.778 6.765 -3.074 769 HA ASP 98 HA ASP 98 10.376 5.929 -5.411 770 HB2 ASP 98 HB2 ASP 98 12.870 7.604 -4.985 771 HB3 ASP 98 HB3 ASP 98 12.215 7.283 -6.583 772 H ASN 99 H ASN 99 13.271 4.789 -3.865 773 HA ASN 99 HA ASN 99 14.137 3.190 -6.142 774 HB2 ASN 99 HB2 ASN 99 15.240 3.965 -3.522 775 HB3 ASN 99 HB3 ASN 99 15.611 2.314 -3.982 776 HD21 ASN 99 HD21 ASN 99 16.691 5.386 -4.089 777 HD22 ASN 99 HD22 ASN 99 17.734 5.298 -5.462 778 H ILE 100 H ILE 100 12.391 2.699 -3.082 779 HA ILE 100 HA ILE 100 12.185 -0.152 -3.408 780 HB ILE 100 HB ILE 100 10.560 1.767 -1.704 781 HG12 ILE 100 HG12 ILE 100 12.840 1.449 -0.869 782 HG13 ILE 100 HG13 ILE 100 11.682 0.751 0.226 783 HG21 ILE 100 HG21 ILE 100 10.409 -1.220 -1.439 784 HG22 ILE 100 HG22 ILE 100 9.287 -0.304 -2.431 785 HG23 ILE 100 HG23 ILE 100 9.375 0.004 -0.700 786 HD11 ILE 100 HD11 ILE 100 13.641 -0.636 0.073 787 HD12 ILE 100 HD12 ILE 100 13.475 -0.740 -1.681 788 HD13 ILE 100 HD13 ILE 100 12.264 -1.481 -0.636 789 H LYS 101 H LYS 101 9.837 2.524 -3.829 790 HA LYS 101 HA LYS 101 7.764 1.262 -5.112 791 HB2 LYS 101 HB2 LYS 101 7.663 3.556 -4.337 792 HB3 LYS 101 HB3 LYS 101 8.825 4.043 -5.561 793 HG2 LYS 101 HG2 LYS 101 7.237 3.507 -7.319 794 HG3 LYS 101 HG3 LYS 101 6.088 2.931 -6.113 795 HD2 LYS 101 HD2 LYS 101 5.757 5.117 -5.246 796 HD3 LYS 101 HD3 LYS 101 7.150 5.737 -6.126 797 HE2 LYS 101 HE2 LYS 101 5.928 5.247 -8.250 798 HE3 LYS 101 HE3 LYS 101 4.504 4.881 -7.275 799 HZ1 LYS 101 HZ1 LYS 101 5.946 7.480 -7.338 800 HZ2 LYS 101 HZ2 LYS 101 4.585 7.136 -6.394 801 HZ3 LYS 101 HZ3 LYS 101 4.460 7.158 -8.080 802 H MET 102 H MET 102 10.697 2.607 -6.641 803 HA MET 102 HA MET 102 10.028 2.002 -9.296 804 HB2 MET 102 HB2 MET 102 11.879 3.464 -8.739 805 HB3 MET 102 HB3 MET 102 12.744 2.124 -8.032 806 HG2 MET 102 HG2 MET 102 12.875 1.043 -10.190 807 HG3 MET 102 HG3 MET 102 11.992 2.361 -10.952 808 HE1 MET 102 HE1 MET 102 16.245 2.396 -9.268 809 HE2 MET 102 HE2 MET 102 15.189 0.993 -9.477 810 HE3 MET 102 HE3 MET 102 14.811 2.206 -8.255 811 H THR 103 H THR 103 12.140 0.089 -7.115 812 HA THR 103 HA THR 103 12.415 -2.185 -8.658 813 HB THR 103 HB THR 103 12.077 -2.200 -5.638 814 HG1 THR 103 HG1 THR 103 14.627 -2.313 -6.588 815 HG21 THR 103 HG21 THR 103 13.422 -4.137 -7.532 816 HG22 THR 103 HG22 THR 103 12.021 -4.454 -6.505 817 HG23 THR 103 HG23 THR 103 13.603 -4.176 -5.780 818 H LEU 104 H LEU 104 9.933 -1.773 -6.103 819 HA LEU 104 HA LEU 104 8.222 -3.835 -6.502 820 HB2 LEU 104 HB2 LEU 104 7.939 -1.022 -5.642 821 HB3 LEU 104 HB3 LEU 104 6.451 -1.761 -6.175 822 HG LEU 104 HG LEU 104 6.537 -3.400 -4.464 823 HD11 LEU 104 HD11 LEU 104 9.381 -2.576 -4.262 824 HD12 LEU 104 HD12 LEU 104 8.662 -4.182 -4.172 825 HD13 LEU 104 HD13 LEU 104 8.574 -3.101 -2.790 826 HD21 LEU 104 HD21 LEU 104 6.061 -0.889 -3.877 827 HD22 LEU 104 HD22 LEU 104 7.548 -1.063 -2.935 828 HD23 LEU 104 HD23 LEU 104 6.167 -2.109 -2.612 829 H GLN 105 H GLN 105 7.869 -0.684 -8.117 830 HA GLN 105 HA GLN 105 5.875 -1.378 -9.938 831 HB2 GLN 105 HB2 GLN 105 6.598 0.949 -9.487 832 HB3 GLN 105 HB3 GLN 105 8.081 0.657 -10.373 833 HG2 GLN 105 HG2 GLN 105 6.873 0.395 -12.427 834 HG3 GLN 105 HG3 GLN 105 5.332 0.448 -11.578 835 HE21 GLN 105 HE21 GLN 105 5.473 2.108 -13.568 836 HE22 GLN 105 HE22 GLN 105 5.736 3.739 -13.066 837 H GLN 106 H GLN 106 9.341 -1.948 -10.162 838 HA GLN 106 HA GLN 106 9.323 -2.752 -12.916 839 HB2 GLN 106 HB2 GLN 106 11.356 -2.972 -10.718 840 HB3 GLN 106 HB3 GLN 106 11.621 -3.657 -12.315 841 HG2 GLN 106 HG2 GLN 106 11.526 -1.470 -13.335 842 HG3 GLN 106 HG3 GLN 106 11.015 -0.768 -11.832 843 HE21 GLN 106 HE21 GLN 106 13.117 0.318 -13.118 844 HE22 GLN 106 HE22 GLN 106 14.580 -0.002 -12.256 845 H ILE 107 H ILE 107 8.635 -4.244 -9.893 846 HA ILE 107 HA ILE 107 8.852 -6.974 -10.821 847 HB ILE 107 HB ILE 107 7.811 -5.795 -8.225 848 HG12 ILE 107 HG12 ILE 107 10.339 -7.391 -8.712 849 HG13 ILE 107 HG13 ILE 107 10.286 -5.655 -8.768 850 HG21 ILE 107 HG21 ILE 107 7.749 -8.044 -7.309 851 HG22 ILE 107 HG22 ILE 107 8.214 -8.720 -8.872 852 HG23 ILE 107 HG23 ILE 107 6.660 -7.901 -8.688 853 HD11 ILE 107 HD11 ILE 107 9.724 -5.525 -6.433 854 HD12 ILE 107 HD12 ILE 107 11.182 -6.494 -6.655 855 HD13 ILE 107 HD13 ILE 107 9.638 -7.283 -6.333 856 H ILE 108 H ILE 108 6.218 -4.658 -10.146 857 HA ILE 108 HA ILE 108 4.103 -6.564 -10.522 858 HB ILE 108 HB ILE 108 4.069 -3.542 -10.298 859 HG12 ILE 108 HG12 ILE 108 2.915 -5.573 -8.433 860 HG13 ILE 108 HG13 ILE 108 4.610 -5.171 -8.368 861 HG21 ILE 108 HG21 ILE 108 2.137 -4.341 -11.686 862 HG22 ILE 108 HG22 ILE 108 1.648 -3.607 -10.153 863 HG23 ILE 108 HG23 ILE 108 1.654 -5.368 -10.332 864 HD11 ILE 108 HD11 ILE 108 2.379 -3.202 -8.018 865 HD12 ILE 108 HD12 ILE 108 4.106 -2.897 -7.837 866 HD13 ILE 108 HD13 ILE 108 3.277 -3.969 -6.712 867 H SER 109 H SER 109 5.689 -4.203 -12.547 868 HA SER 109 HA SER 109 3.988 -4.362 -14.813 869 HB2 SER 109 HB2 SER 109 5.814 -3.334 -16.042 870 HB3 SER 109 HB3 SER 109 5.671 -2.572 -14.458 871 HG SER 109 HG SER 109 7.738 -3.005 -14.379 872 H ARG 110 H ARG 110 6.333 -6.559 -13.544 873 HA ARG 110 HA ARG 110 6.639 -8.152 -15.933 874 HB2 ARG 110 HB2 ARG 110 7.281 -8.688 -13.027 875 HB3 ARG 110 HB3 ARG 110 7.565 -9.865 -14.301 876 HG2 ARG 110 HG2 ARG 110 9.113 -8.365 -15.380 877 HG3 ARG 110 HG3 ARG 110 8.783 -7.115 -14.188 878 HD2 ARG 110 HD2 ARG 110 9.683 -8.534 -12.425 879 HD3 ARG 110 HD3 ARG 110 9.976 -9.822 -13.593 880 HE ARG 110 HE ARG 110 11.368 -7.749 -14.623 881 HH11 ARG 110 HH11 ARG 110 11.368 -9.208 -11.424 882 HH12 ARG 110 HH12 ARG 110 13.020 -8.791 -11.111 883 HH21 ARG 110 HH21 ARG 110 13.525 -7.213 -14.187 884 HH22 ARG 110 HH22 ARG 110 14.238 -7.660 -12.672 885 H TYR 111 H TYR 111 4.748 -8.377 -12.946 886 HA TYR 111 HA TYR 111 3.225 -10.679 -13.822 887 HB2 TYR 111 HB2 TYR 111 2.767 -8.826 -11.474 888 HB3 TYR 111 HB3 TYR 111 1.931 -10.344 -11.763 889 HD1 TYR 111 HD1 TYR 111 4.755 -8.804 -10.236 890 HD2 TYR 111 HD2 TYR 111 3.377 -12.492 -11.861 891 HE1 TYR 111 HE1 TYR 111 6.502 -10.003 -8.991 892 HE2 TYR 111 HE2 TYR 111 5.127 -13.696 -10.628 893 HH TYR 111 HH TYR 111 7.328 -13.225 -9.637 894 H LYS 112 H LYS 112 3.173 -7.469 -14.605 895 HA LYS 112 HA LYS 112 0.318 -7.127 -14.958 896 HB2 LYS 112 HB2 LYS 112 1.806 -5.252 -14.343 897 HB3 LYS 112 HB3 LYS 112 2.655 -5.435 -15.869 898 HG2 LYS 112 HG2 LYS 112 0.544 -4.898 -17.051 899 HG3 LYS 112 HG3 LYS 112 -0.221 -4.643 -15.496 900 HD2 LYS 112 HD2 LYS 112 1.303 -2.790 -15.021 901 HD3 LYS 112 HD3 LYS 112 2.143 -3.077 -16.539 902 HE2 LYS 112 HE2 LYS 112 -0.742 -2.208 -16.273 903 HE3 LYS 112 HE3 LYS 112 0.608 -1.146 -16.653 904 HZ1 LYS 112 HZ1 LYS 112 0.950 -2.299 -18.706 905 HZ2 LYS 112 HZ2 LYS 112 -0.677 -1.853 -18.617 906 HZ3 LYS 112 HZ3 LYS 112 -0.224 -3.455 -18.326 907 H ASP 113 H ASP 113 3.160 -7.950 -16.835 908 HA ASP 113 HA ASP 113 1.639 -8.235 -19.301 909 HB2 ASP 113 HB2 ASP 113 4.574 -8.414 -18.626 910 HB3 ASP 113 HB3 ASP 113 3.937 -8.813 -20.207 911 H ALA 114 H ALA 114 2.904 -10.102 -16.684 912 HA ALA 114 HA ALA 114 2.131 -12.589 -18.037 913 HB1 ALA 114 HB1 ALA 114 4.526 -12.264 -16.234 914 HB2 ALA 114 HB2 ALA 114 4.575 -12.459 -17.985 915 HB3 ALA 114 HB3 ALA 114 3.979 -13.770 -16.967 916 H ASP 115 H ASP 115 0.120 -12.004 -16.929 917 HA ASP 115 HA ASP 115 0.093 -12.700 -14.080 918 HB2 ASP 115 HB2 ASP 115 -0.997 -10.592 -14.674 919 HB3 ASP 115 HB3 ASP 115 -2.057 -11.433 -15.797 920 H1 GLY 519 H1 GLY 519 -23.038 13.877 25.694 921 H2 GLY 519 H2 GLY 519 -21.775 13.432 26.728 922 H3 GLY 519 H3 GLY 519 -22.722 12.241 25.989 923 HA2 GLY 519 HA2 GLY 519 -21.906 12.899 23.809 924 HA3 GLY 519 HA3 GLY 519 -20.917 14.130 24.580 925 H SER 520 H SER 520 -18.929 13.613 25.257 926 HA SER 520 HA SER 520 -18.122 10.787 25.079 927 HB2 SER 520 HB2 SER 520 -16.911 12.063 23.465 928 HB3 SER 520 HB3 SER 520 -16.564 13.337 24.633 929 HG SER 520 HG SER 520 -14.763 11.973 24.320 930 HA PRO 521 HA PRO 521 -17.499 11.126 29.538 931 HB2 PRO 521 HB2 PRO 521 -16.550 8.604 29.959 932 HB3 PRO 521 HB3 PRO 521 -18.254 8.967 29.705 933 HG2 PRO 521 HG2 PRO 521 -16.300 7.923 27.817 934 HG3 PRO 521 HG3 PRO 521 -17.880 7.537 27.974 935 HD2 PRO 521 HD2 PRO 521 -16.965 9.053 26.116 936 HD3 PRO 521 HD3 PRO 521 -18.509 9.107 26.645 937 H GLY 522 H GLY 522 -14.968 10.330 27.269 938 HA2 GLY 522 HA2 GLY 522 -12.892 11.699 27.717 939 HA3 GLY 522 HA3 GLY 522 -12.920 10.953 29.308 940 H TYR 523 H TYR 523 -13.812 8.356 28.160 941 HA TYR 523 HA TYR 523 -12.922 6.361 27.574 942 HB2 TYR 523 HB2 TYR 523 -11.405 8.034 25.555 943 HB3 TYR 523 HB3 TYR 523 -11.459 6.277 25.545 944 HD1 TYR 523 HD1 TYR 523 -13.085 9.294 24.497 945 HD2 TYR 523 HD2 TYR 523 -13.743 5.158 25.262 946 HE1 TYR 523 HE1 TYR 523 -15.130 9.371 23.132 947 HE2 TYR 523 HE2 TYR 523 -15.788 5.228 23.901 948 HH TYR 523 HH TYR 523 -16.552 7.815 21.857 949 HA PRO 524 HA PRO 524 -9.150 6.735 30.254 950 HB2 PRO 524 HB2 PRO 524 -10.317 4.206 31.314 951 HB3 PRO 524 HB3 PRO 524 -9.640 5.580 32.195 952 HG2 PRO 524 HG2 PRO 524 -12.203 5.323 32.169 953 HG3 PRO 524 HG3 PRO 524 -11.619 6.809 31.828 954 HD2 PRO 524 HD2 PRO 524 -12.372 4.762 29.721 955 HD3 PRO 524 HD3 PRO 524 -12.961 6.285 29.767 956 H ASN 525 H ASN 525 -10.484 3.782 28.767 957 HA ASN 525 HA ASN 525 -7.770 3.055 27.908 958 HB2 ASN 525 HB2 ASN 525 -9.839 1.158 29.051 959 HB3 ASN 525 HB3 ASN 525 -8.370 0.636 28.240 960 HD21 ASN 525 HD21 ASN 525 -9.772 1.470 31.172 961 HD22 ASN 525 HD22 ASN 525 -8.337 1.562 32.129 962 H GLY 526 H GLY 526 -7.546 2.485 25.832 963 HA2 GLY 526 HA2 GLY 526 -8.439 1.345 23.855 964 HA3 GLY 526 HA3 GLY 526 -9.996 2.066 24.231 965 H LEU 527 H LEU 527 -7.534 2.226 22.138 966 HA LEU 527 HA LEU 527 -6.714 3.689 20.603 967 HB2 LEU 527 HB2 LEU 527 -9.093 5.422 21.332 968 HB3 LEU 527 HB3 LEU 527 -8.098 5.562 19.913 969 HG LEU 527 HG LEU 527 -9.926 3.244 20.490 970 HD11 LEU 527 HD11 LEU 527 -10.305 5.607 18.665 971 HD12 LEU 527 HD12 LEU 527 -11.291 5.143 20.051 972 HD13 LEU 527 HD13 LEU 527 -11.277 4.135 18.604 973 HD21 LEU 527 HD21 LEU 527 -7.919 2.724 19.129 974 HD22 LEU 527 HD22 LEU 527 -8.488 3.886 17.932 975 HD23 LEU 527 HD23 LEU 527 -9.451 2.459 18.302 976 H LEU 528 H LEU 528 -4.859 4.603 21.082 977 HA LEU 528 HA LEU 528 -4.870 7.031 22.739 978 HB2 LEU 528 HB2 LEU 528 -2.738 4.883 22.629 979 HB3 LEU 528 HB3 LEU 528 -2.557 6.402 23.475 980 HG LEU 528 HG LEU 528 -4.632 4.316 24.186 981 HD11 LEU 528 HD11 LEU 528 -3.130 3.834 26.095 982 HD12 LEU 528 HD12 LEU 528 -1.910 4.872 25.356 983 HD13 LEU 528 HD13 LEU 528 -2.428 3.399 24.537 984 HD21 LEU 528 HD21 LEU 528 -5.182 6.611 24.895 985 HD22 LEU 528 HD22 LEU 528 -3.621 6.724 25.707 986 HD23 LEU 528 HD23 LEU 528 -4.824 5.564 26.268 987 H SER 529 H SER 529 -4.593 5.835 19.750 988 HA SER 529 HA SER 529 -3.131 8.094 18.699 989 HB2 SER 529 HB2 SER 529 -1.265 6.563 19.155 990 HB3 SER 529 HB3 SER 529 -2.061 5.295 18.229 991 HG SER 529 HG SER 529 -0.365 6.877 17.250 992 H GLY 530 H GLY 530 -4.064 4.807 17.578 993 HA2 GLY 530 HA2 GLY 530 -5.826 4.215 16.183 994 HA3 GLY 530 HA3 GLY 530 -6.208 5.918 15.976 995 H ASP 531 H ASP 531 -4.271 3.246 14.841 996 HA ASP 531 HA ASP 531 -3.567 4.814 12.448 997 HB2 ASP 531 HB2 ASP 531 -1.664 4.233 14.132 998 HB3 ASP 531 HB3 ASP 531 -1.796 2.609 13.473 999 H GLU 532 H GLU 532 -5.229 2.222 13.645 1000 HA GLU 532 HA GLU 532 -5.039 0.657 11.196 1001 HB2 GLU 532 HB2 GLU 532 -6.069 -0.056 13.929 1002 HB3 GLU 532 HB3 GLU 532 -6.107 -1.126 12.556 1003 HG2 GLU 532 HG2 GLU 532 -3.666 -1.070 12.465 1004 HG3 GLU 532 HG3 GLU 532 -3.647 -0.000 13.860 1005 H ASP 533 H ASP 533 -6.891 2.922 12.624 1006 HA ASP 533 HA ASP 533 -9.379 2.050 11.303 1007 HB2 ASP 533 HB2 ASP 533 -9.008 3.716 13.806 1008 HB3 ASP 533 HB3 ASP 533 -10.557 3.488 13.002 1009 H PHE 534 H PHE 534 -7.020 4.571 11.669 1010 HA PHE 534 HA PHE 534 -8.670 6.541 10.288 1011 HB2 PHE 534 HB2 PHE 534 -5.995 6.748 11.670 1012 HB3 PHE 534 HB3 PHE 534 -6.708 8.077 10.764 1013 HD1 PHE 534 HD1 PHE 534 -7.022 5.970 13.761 1014 HD2 PHE 534 HD2 PHE 534 -8.537 9.345 11.652 1015 HE1 PHE 534 HE1 PHE 534 -8.270 6.662 15.769 1016 HE2 PHE 534 HE2 PHE 534 -9.786 10.041 13.654 1017 HZ PHE 534 HZ PHE 534 -9.652 8.700 15.716 1018 H SER 535 H SER 535 -6.595 4.130 9.352 1019 HA SER 535 HA SER 535 -5.403 5.517 7.117 1020 HB2 SER 535 HB2 SER 535 -4.468 3.372 6.463 1021 HB3 SER 535 HB3 SER 535 -4.212 3.633 8.185 1022 HG SER 535 HG SER 535 -5.943 1.848 6.878 1023 H SER 536 H SER 536 -8.452 4.394 7.747 1024 HA SER 536 HA SER 536 -9.178 3.700 5.029 1025 HB2 SER 536 HB2 SER 536 -11.441 3.465 5.893 1026 HB3 SER 536 HB3 SER 536 -10.320 2.676 7.003 1027 HG SER 536 HG SER 536 -11.285 3.878 8.434 1028 H ILE 537 H ILE 537 -9.362 6.462 7.189 1029 HA ILE 537 HA ILE 537 -10.589 8.136 5.149 1030 HB ILE 537 HB ILE 537 -10.695 9.883 6.827 1031 HG12 ILE 537 HG12 ILE 537 -9.220 8.066 8.750 1032 HG13 ILE 537 HG13 ILE 537 -8.447 9.358 7.851 1033 HG21 ILE 537 HG21 ILE 537 -12.494 8.262 6.973 1034 HG22 ILE 537 HG22 ILE 537 -12.075 8.849 8.583 1035 HG23 ILE 537 HG23 ILE 537 -11.534 7.255 8.057 1036 HD11 ILE 537 HD11 ILE 537 -8.837 10.230 9.997 1037 HD12 ILE 537 HD12 ILE 537 -10.468 9.569 10.061 1038 HD13 ILE 537 HD13 ILE 537 -10.115 10.927 8.992 1039 H ALA 538 H ALA 538 -7.442 7.332 6.329 1040 HA ALA 538 HA ALA 538 -6.205 9.682 5.228 1041 HB1 ALA 538 HB1 ALA 538 -4.157 8.889 6.043 1042 HB2 ALA 538 HB2 ALA 538 -4.722 7.223 6.066 1043 HB3 ALA 538 HB3 ALA 538 -5.349 8.379 7.240 1044 H ASP 539 H ASP 539 -7.619 7.219 3.815 1045 HA ASP 539 HA ASP 539 -5.829 6.910 1.534 1046 HB2 ASP 539 HB2 ASP 539 -8.603 5.857 2.168 1047 HB3 ASP 539 HB3 ASP 539 -7.818 5.589 0.617 1048 H MET 540 H MET 540 -8.633 8.686 2.582 1049 HA MET 540 HA MET 540 -9.125 10.068 0.120 1050 HB2 MET 540 HB2 MET 540 -9.914 10.628 2.982 1051 HB3 MET 540 HB3 MET 540 -10.411 11.631 1.628 1052 HG2 MET 540 HG2 MET 540 -11.047 8.706 1.973 1053 HG3 MET 540 HG3 MET 540 -12.148 10.039 2.304 1054 HE1 MET 540 HE1 MET 540 -12.781 11.484 -1.300 1055 HE2 MET 540 HE2 MET 540 -11.677 12.051 -0.046 1056 HE3 MET 540 HE3 MET 540 -13.308 11.536 0.381 1057 H ASP 541 H ASP 541 -6.909 10.364 2.728 1058 HA ASP 541 HA ASP 541 -6.140 13.065 2.427 1059 HB2 ASP 541 HB2 ASP 541 -5.774 11.670 4.452 1060 HB3 ASP 541 HB3 ASP 541 -4.558 10.777 3.578 1061 H PHE 542 H PHE 542 -5.071 10.047 0.927 1062 HA PHE 542 HA PHE 542 -2.672 11.259 -0.135 1063 HB2 PHE 542 HB2 PHE 542 -2.842 8.859 0.652 1064 HB3 PHE 542 HB3 PHE 542 -3.714 8.522 -0.837 1065 HD1 PHE 542 HD1 PHE 542 -0.586 8.759 0.685 1066 HD2 PHE 542 HD2 PHE 542 -2.479 9.170 -3.066 1067 HE1 PHE 542 HE1 PHE 542 1.578 8.436 -0.417 1068 HE2 PHE 542 HE2 PHE 542 -0.326 8.857 -4.191 1069 HZ PHE 542 HZ PHE 542 1.625 8.526 -3.020 1070 H SER 543 H SER 543 -5.907 10.863 -1.209 1071 HA SER 543 HA SER 543 -5.363 10.749 -4.022 1072 HB2 SER 543 HB2 SER 543 -7.771 10.941 -4.308 1073 HB3 SER 543 HB3 SER 543 -7.415 9.800 -3.014 1074 HG SER 543 HG SER 543 -7.815 12.475 -2.328 1075 H ALA 544 H ALA 544 -5.475 13.284 -1.734 1076 HA ALA 544 HA ALA 544 -6.024 15.359 -3.707 1077 HB1 ALA 544 HB1 ALA 544 -5.946 16.905 -1.834 1078 HB2 ALA 544 HB2 ALA 544 -5.386 15.616 -0.771 1079 HB3 ALA 544 HB3 ALA 544 -7.005 15.543 -1.466 1080 H LEU 545 H LEU 545 -3.304 13.802 -2.253 1081 HA LEU 545 HA LEU 545 -1.454 15.979 -2.669 1082 HB2 LEU 545 HB2 LEU 545 -1.068 13.144 -1.745 1083 HB3 LEU 545 HB3 LEU 545 0.203 14.328 -1.835 1084 HG LEU 545 HG LEU 545 -2.219 14.638 -0.084 1085 HD11 LEU 545 HD11 LEU 545 -0.786 14.004 1.766 1086 HD12 LEU 545 HD12 LEU 545 0.544 13.700 0.651 1087 HD13 LEU 545 HD13 LEU 545 -0.900 12.692 0.599 1088 HD21 LEU 545 HD21 LEU 545 0.402 16.124 -0.225 1089 HD22 LEU 545 HD22 LEU 545 -0.771 16.301 1.079 1090 HD23 LEU 545 HD23 LEU 545 -1.205 16.768 -0.564 1091 H LEU 546 H LEU 546 -2.362 13.001 -4.289 1092 HA LEU 546 HA LEU 546 -0.014 13.061 -6.024 1093 HB2 LEU 546 HB2 LEU 546 -0.870 10.926 -5.058 1094 HB3 LEU 546 HB3 LEU 546 -2.331 11.118 -6.000 1095 HG LEU 546 HG LEU 546 -1.001 11.014 -8.062 1096 HD11 LEU 546 HD11 LEU 546 1.318 10.325 -8.035 1097 HD12 LEU 546 HD12 LEU 546 1.320 10.322 -6.267 1098 HD13 LEU 546 HD13 LEU 546 1.131 11.840 -7.147 1099 HD21 LEU 546 HD21 LEU 546 -2.002 8.978 -7.292 1100 HD22 LEU 546 HD22 LEU 546 -0.672 8.696 -6.173 1101 HD23 LEU 546 HD23 LEU 546 -0.392 8.605 -7.912 1102 H SER 547 H SER 547 -3.226 14.145 -6.000 1103 HA SER 547 HA SER 547 -3.148 14.715 -8.890 1104 HB2 SER 547 HB2 SER 547 -5.566 15.187 -8.708 1105 HB3 SER 547 HB3 SER 547 -5.187 13.563 -8.134 1106 HG SER 547 HG SER 547 -6.266 14.202 -6.440 1107 H GLN 548 H GLN 548 -1.410 16.155 -7.309 1108 HA GLN 548 HA GLN 548 -2.573 18.713 -6.612 1109 HB2 GLN 548 HB2 GLN 548 0.030 17.386 -6.223 1110 HB3 GLN 548 HB3 GLN 548 0.093 19.132 -6.395 1111 HG2 GLN 548 HG2 GLN 548 -1.594 19.296 -4.545 1112 HG3 GLN 548 HG3 GLN 548 -1.429 17.559 -4.333 1113 HE21 GLN 548 HE21 GLN 548 0.723 16.739 -3.801 1114 HE22 GLN 548 HE22 GLN 548 1.774 17.719 -2.841 1115 H ILE 549 H ILE 549 -1.903 17.456 -9.510 1116 HA ILE 549 HA ILE 549 -0.722 19.892 -10.640 1117 HB ILE 549 HB ILE 549 -1.084 17.195 -11.971 1118 HG12 ILE 549 HG12 ILE 549 1.524 18.527 -11.179 1119 HG13 ILE 549 HG13 ILE 549 0.704 17.361 -10.151 1120 HG21 ILE 549 HG21 ILE 549 -1.261 18.963 -13.597 1121 HG22 ILE 549 HG22 ILE 549 0.301 18.166 -13.784 1122 HG23 ILE 549 HG23 ILE 549 0.201 19.732 -12.979 1123 HD11 ILE 549 HD11 ILE 549 0.937 15.669 -11.918 1124 HD12 ILE 549 HD12 ILE 549 2.495 16.305 -11.387 1125 HD13 ILE 549 HD13 ILE 549 1.796 16.846 -12.913 1126 H SER 550 H SER 550 -2.050 21.370 -11.361 1127 HA SER 550 HA SER 550 -4.571 20.553 -12.654 1128 HB2 SER 550 HB2 SER 550 -4.097 22.917 -10.822 1129 HB3 SER 550 HB3 SER 550 -5.565 22.681 -11.771 1130 HG SER 550 HG SER 550 -6.227 21.455 -10.212 1131 H SER 551 H SER 551 -5.150 21.578 -14.517 1132 HA SER 551 HA SER 551 -3.145 23.376 -15.695 1133 HB2 SER 551 HB2 SER 551 -3.452 21.310 -16.952 1134 HB3 SER 551 HB3 SER 551 -5.190 21.593 -17.045 1135 HG SER 551 HG SER 551 -3.632 23.665 -17.975 Start of MODEL 15 1 H2 PRO 1 H2 PRO 1 19.980 2.073 -6.805 2 H3 PRO 1 H1 PRO 1 21.058 0.933 -6.353 3 HA PRO 1 HA PRO 1 18.299 0.746 -6.878 4 HB2 PRO 1 HB2 PRO 1 19.837 -1.750 -7.461 5 HB3 PRO 1 HB3 PRO 1 18.237 -1.245 -8.047 6 HG2 PRO 1 HG2 PRO 1 20.461 -0.950 -9.503 7 HG3 PRO 1 HG3 PRO 1 19.177 0.046 -9.656 8 HD2 PRO 1 HD2 PRO 1 21.694 0.654 -8.514 9 HD3 PRO 1 HD3 PRO 1 20.550 1.710 -9.009 10 H SER 2 H SER 2 17.442 0.178 -4.984 11 HA SER 2 HA SER 2 18.964 -1.500 -3.139 12 HB2 SER 2 HB2 SER 2 19.284 0.899 -2.485 13 HB3 SER 2 HB3 SER 2 17.539 1.030 -2.268 14 HG SER 2 HG SER 2 19.441 -0.181 -0.673 15 H HIS 3 H HIS 3 17.816 -3.155 -2.528 16 HA HIS 3 HA HIS 3 14.922 -3.246 -2.853 17 HB2 HIS 3 HB2 HIS 3 16.970 -5.298 -2.037 18 HB3 HIS 3 HB3 HIS 3 15.274 -5.638 -2.099 19 HD1 HIS 3 HD1 HIS 3 16.712 -7.423 -3.844 20 HD2 HIS 3 HD2 HIS 3 15.750 -3.584 -5.112 21 HE1 HIS 3 HE1 HIS 3 16.802 -7.504 -6.354 22 HE2 HIS 3 HE2 HIS 3 16.152 -5.188 -7.102 23 H SER 4 H SER 4 16.899 -2.088 -0.514 24 HA SER 4 HA SER 4 14.933 -2.485 1.592 25 HB2 SER 4 HB2 SER 4 16.429 -3.383 3.220 26 HB3 SER 4 HB3 SER 4 16.608 -4.372 1.775 27 HG SER 4 HG SER 4 18.440 -2.810 3.053 28 H GLY 5 H GLY 5 15.040 -1.016 3.285 29 HA2 GLY 5 HA2 GLY 5 17.080 1.026 3.356 30 HA3 GLY 5 HA3 GLY 5 15.515 1.591 2.802 31 H ALA 6 H ALA 6 14.216 2.378 4.302 32 HA ALA 6 HA ALA 6 13.968 1.072 6.889 33 HB1 ALA 6 HB1 ALA 6 14.633 4.013 6.707 34 HB2 ALA 6 HB2 ALA 6 15.703 2.740 7.307 35 HB3 ALA 6 HB3 ALA 6 14.216 3.122 8.175 36 H ALA 7 H ALA 7 11.860 1.024 7.507 37 HA ALA 7 HA ALA 7 9.996 3.044 6.516 38 HB1 ALA 7 HB1 ALA 7 8.440 1.356 5.648 39 HB2 ALA 7 HB2 ALA 7 9.643 0.110 5.954 40 HB3 ALA 7 HB3 ALA 7 9.968 1.374 4.770 41 H ILE 8 H ILE 8 8.007 3.144 7.621 42 HA ILE 8 HA ILE 8 7.855 1.632 10.156 43 HB ILE 8 HB ILE 8 6.653 4.346 9.520 44 HG12 ILE 8 HG12 ILE 8 8.888 3.702 11.448 45 HG13 ILE 8 HG13 ILE 8 9.149 4.296 9.822 46 HG21 ILE 8 HG21 ILE 8 6.652 2.838 12.138 47 HG22 ILE 8 HG22 ILE 8 5.255 3.085 11.091 48 HG23 ILE 8 HG23 ILE 8 6.020 4.465 11.879 49 HD11 ILE 8 HD11 ILE 8 8.073 6.380 10.371 50 HD12 ILE 8 HD12 ILE 8 9.335 6.035 11.554 51 HD13 ILE 8 HD13 ILE 8 7.640 5.770 11.967 52 H PHE 9 H PHE 9 5.985 0.559 10.655 53 HA PHE 9 HA PHE 9 3.674 0.718 8.875 54 HB2 PHE 9 HB2 PHE 9 5.162 -1.051 7.944 55 HB3 PHE 9 HB3 PHE 9 5.081 -1.907 9.475 56 HD1 PHE 9 HD1 PHE 9 3.152 -0.861 6.506 57 HD2 PHE 9 HD2 PHE 9 3.214 -3.288 10.005 58 HE1 PHE 9 HE1 PHE 9 1.152 -2.051 5.713 59 HE2 PHE 9 HE2 PHE 9 1.222 -4.486 9.213 60 HZ PHE 9 HZ PHE 9 0.203 -3.894 7.055 61 H GLU 10 H GLU 10 1.948 0.907 10.097 62 HA GLU 10 HA GLU 10 0.488 0.890 11.830 63 HB2 GLU 10 HB2 GLU 10 1.852 -1.710 12.532 64 HB3 GLU 10 HB3 GLU 10 0.349 -1.146 13.243 65 HG2 GLU 10 HG2 GLU 10 -0.687 -1.171 11.018 66 HG3 GLU 10 HG3 GLU 10 0.815 -1.803 10.342 67 H LYS 11 H LYS 11 2.720 2.446 12.169 68 HA LYS 11 HA LYS 11 3.581 3.895 13.682 69 HB2 LYS 11 HB2 LYS 11 1.841 2.455 15.656 70 HB3 LYS 11 HB3 LYS 11 2.801 3.876 16.039 71 HG2 LYS 11 HG2 LYS 11 1.582 5.152 14.336 72 HG3 LYS 11 HG3 LYS 11 0.607 3.727 13.977 73 HD2 LYS 11 HD2 LYS 11 -0.171 3.714 16.329 74 HD3 LYS 11 HD3 LYS 11 0.764 5.187 16.586 75 HE2 LYS 11 HE2 LYS 11 -0.591 6.372 14.957 76 HE3 LYS 11 HE3 LYS 11 -1.508 4.904 14.626 77 HZ1 LYS 11 HZ1 LYS 11 -2.295 4.922 16.910 78 HZ2 LYS 11 HZ2 LYS 11 -2.697 6.370 16.133 79 HZ3 LYS 11 HZ3 LYS 11 -1.411 6.328 17.232 80 H VAL 12 H VAL 12 4.215 0.606 13.846 81 HA VAL 12 HA VAL 12 6.421 0.943 15.735 82 HB VAL 12 HB VAL 12 5.436 -1.580 14.369 83 HG11 VAL 12 HG11 VAL 12 6.842 -2.792 15.987 84 HG12 VAL 12 HG12 VAL 12 7.560 -1.253 16.461 85 HG13 VAL 12 HG13 VAL 12 7.755 -1.848 14.814 86 HG21 VAL 12 HG21 VAL 12 4.609 -2.276 16.568 87 HG22 VAL 12 HG22 VAL 12 3.808 -0.811 15.994 88 HG23 VAL 12 HG23 VAL 12 5.065 -0.705 17.228 89 H SER 13 H SER 13 8.375 1.470 15.057 90 HA SER 13 HA SER 13 8.832 1.793 12.230 91 HB2 SER 13 HB2 SER 13 9.494 3.620 13.648 92 HB3 SER 13 HB3 SER 13 10.490 2.554 14.638 93 HG SER 13 HG SER 13 11.826 3.630 13.212 94 H GLY 14 H GLY 14 10.315 0.833 10.961 95 HA2 GLY 14 HA2 GLY 14 12.103 -1.188 12.020 96 HA3 GLY 14 HA3 GLY 14 10.761 -1.808 11.079 97 H ILE 15 H ILE 15 12.275 -2.679 9.650 98 HA ILE 15 HA ILE 15 13.354 -0.737 7.716 99 HB ILE 15 HB ILE 15 14.643 -3.231 8.828 100 HG12 ILE 15 HG12 ILE 15 15.840 -0.469 8.482 101 HG13 ILE 15 HG13 ILE 15 15.061 -1.028 9.947 102 HG21 ILE 15 HG21 ILE 15 14.898 -3.499 6.464 103 HG22 ILE 15 HG22 ILE 15 16.452 -3.028 7.155 104 HG23 ILE 15 HG23 ILE 15 15.476 -1.841 6.289 105 HD11 ILE 15 HD11 ILE 15 17.420 -1.140 10.239 106 HD12 ILE 15 HD12 ILE 15 17.615 -2.064 8.754 107 HD13 ILE 15 HD13 ILE 15 16.800 -2.789 10.143 108 H ILE 16 H ILE 16 12.998 -1.210 5.565 109 HA ILE 16 HA ILE 16 11.169 -3.437 5.024 110 HB ILE 16 HB ILE 16 11.068 -0.708 4.358 111 HG12 ILE 16 HG12 ILE 16 9.367 -3.079 3.604 112 HG13 ILE 16 HG13 ILE 16 9.121 -1.942 4.917 113 HG21 ILE 16 HG21 ILE 16 10.943 -2.124 1.726 114 HG22 ILE 16 HG22 ILE 16 12.483 -1.479 2.309 115 HG23 ILE 16 HG23 ILE 16 11.106 -0.395 2.071 116 HD11 ILE 16 HD11 ILE 16 8.754 -0.176 3.131 117 HD12 ILE 16 HD12 ILE 16 7.507 -1.400 3.304 118 HD13 ILE 16 HD13 ILE 16 8.666 -1.507 1.978 119 H ALA 17 H ALA 17 11.616 -5.009 3.565 120 HA ALA 17 HA ALA 17 14.042 -4.805 1.918 121 HB1 ALA 17 HB1 ALA 17 13.375 -7.183 3.655 122 HB2 ALA 17 HB2 ALA 17 14.676 -6.027 3.942 123 HB3 ALA 17 HB3 ALA 17 14.724 -7.075 2.523 124 H ILE 18 H ILE 18 13.986 -5.963 -0.037 125 HA ILE 18 HA ILE 18 11.328 -6.995 -0.756 126 HB ILE 18 HB ILE 18 13.494 -5.905 -2.558 127 HG12 ILE 18 HG12 ILE 18 10.672 -4.955 -2.198 128 HG13 ILE 18 HG13 ILE 18 11.988 -4.326 -1.237 129 HG21 ILE 18 HG21 ILE 18 12.418 -7.840 -3.608 130 HG22 ILE 18 HG22 ILE 18 12.073 -6.333 -4.452 131 HG23 ILE 18 HG23 ILE 18 10.850 -7.057 -3.407 132 HD11 ILE 18 HD11 ILE 18 11.585 -2.772 -2.956 133 HD12 ILE 18 HD12 ILE 18 11.519 -4.034 -4.189 134 HD13 ILE 18 HD13 ILE 18 13.057 -3.633 -3.412 135 H ASN 19 H ASN 19 11.036 -9.009 -1.265 136 HA ASN 19 HA ASN 19 13.264 -10.887 -1.344 137 HB2 ASN 19 HB2 ASN 19 10.831 -10.961 -0.032 138 HB3 ASN 19 HB3 ASN 19 10.525 -11.950 -1.446 139 HD21 ASN 19 HD21 ASN 19 10.237 -13.465 0.531 140 HD22 ASN 19 HD22 ASN 19 11.632 -14.392 0.954 141 H GLU 20 H GLU 20 14.071 -10.997 -3.360 142 HA GLU 20 HA GLU 20 12.254 -11.904 -5.491 143 HB2 GLU 20 HB2 GLU 20 14.681 -10.127 -5.717 144 HB3 GLU 20 HB3 GLU 20 14.051 -11.002 -7.096 145 HG2 GLU 20 HG2 GLU 20 11.885 -9.796 -6.748 146 HG3 GLU 20 HG3 GLU 20 12.682 -8.849 -5.501 147 H ASP 21 H ASP 21 13.598 -13.242 -7.197 148 HA ASP 21 HA ASP 21 14.701 -15.190 -7.674 149 HB2 ASP 21 HB2 ASP 21 16.269 -14.541 -5.169 150 HB3 ASP 21 HB3 ASP 21 16.562 -15.983 -6.126 151 H VAL 22 H VAL 22 12.644 -14.653 -5.301 152 HA VAL 22 HA VAL 22 12.417 -17.401 -4.305 153 HB VAL 22 HB VAL 22 10.848 -16.457 -2.625 154 HG11 VAL 22 HG11 VAL 22 13.147 -16.716 -2.004 155 HG12 VAL 22 HG12 VAL 22 12.549 -15.207 -1.314 156 HG13 VAL 22 HG13 VAL 22 13.573 -15.177 -2.753 157 HG21 VAL 22 HG21 VAL 22 11.573 -13.753 -3.788 158 HG22 VAL 22 HG22 VAL 22 10.692 -14.010 -2.282 159 HG23 VAL 22 HG23 VAL 22 9.977 -14.507 -3.815 160 H SER 23 H SER 23 9.816 -17.724 -3.790 161 HA SER 23 HA SER 23 8.484 -17.868 -6.331 162 HB2 SER 23 HB2 SER 23 6.660 -18.834 -5.038 163 HB3 SER 23 HB3 SER 23 8.174 -19.483 -4.413 164 HG SER 23 HG SER 23 6.297 -18.266 -3.054 165 HA PRO 24 HA PRO 24 6.952 -14.445 -7.566 166 HB2 PRO 24 HB2 PRO 24 4.392 -14.066 -6.055 167 HB3 PRO 24 HB3 PRO 24 4.721 -13.842 -7.777 168 HG2 PRO 24 HG2 PRO 24 3.546 -16.011 -6.946 169 HG3 PRO 24 HG3 PRO 24 4.658 -16.103 -8.139 170 HD2 PRO 24 HD2 PRO 24 4.922 -16.959 -5.437 171 HD3 PRO 24 HD3 PRO 24 5.662 -17.570 -6.759 172 H ALA 25 H ALA 25 7.802 -12.517 -7.217 173 HA ALA 25 HA ALA 25 9.132 -12.096 -4.847 174 HB1 ALA 25 HB1 ALA 25 9.942 -11.239 -6.965 175 HB2 ALA 25 HB2 ALA 25 9.852 -9.951 -5.765 176 HB3 ALA 25 HB3 ALA 25 8.616 -10.078 -7.015 177 H GLU 26 H GLU 26 9.089 -10.722 -3.224 178 HA GLU 26 HA GLU 26 6.448 -9.651 -2.596 179 HB2 GLU 26 HB2 GLU 26 8.035 -10.864 -0.406 180 HB3 GLU 26 HB3 GLU 26 6.319 -10.805 -0.617 181 HG2 GLU 26 HG2 GLU 26 6.334 -12.659 -2.105 182 HG3 GLU 26 HG3 GLU 26 8.086 -12.614 -2.220 183 H LEU 27 H LEU 27 6.493 -8.190 -0.638 184 HA LEU 27 HA LEU 27 9.125 -6.968 -0.161 185 HB2 LEU 27 HB2 LEU 27 7.788 -5.295 -1.270 186 HB3 LEU 27 HB3 LEU 27 6.428 -5.616 -0.241 187 HG LEU 27 HG LEU 27 7.868 -4.790 1.701 188 HD11 LEU 27 HD11 LEU 27 9.455 -3.536 -0.521 189 HD12 LEU 27 HD12 LEU 27 10.005 -4.904 0.444 190 HD13 LEU 27 HD13 LEU 27 9.703 -3.351 1.220 191 HD21 LEU 27 HD21 LEU 27 7.279 -2.490 1.256 192 HD22 LEU 27 HD22 LEU 27 5.990 -3.557 0.703 193 HD23 LEU 27 HD23 LEU 27 7.102 -2.837 -0.462 194 H THR 28 H THR 28 9.838 -7.211 1.842 195 HA THR 28 HA THR 28 7.915 -8.112 3.881 196 HB THR 28 HB THR 28 10.823 -8.914 3.571 197 HG1 THR 28 HG1 THR 28 10.033 -10.802 2.829 198 HG21 THR 28 HG21 THR 28 8.775 -9.739 5.648 199 HG22 THR 28 HG22 THR 28 10.265 -8.824 5.945 200 HG23 THR 28 HG23 THR 28 10.347 -10.509 5.419 201 H TRP 29 H TRP 29 7.503 -6.401 5.127 202 HA TRP 29 HA TRP 29 9.623 -4.668 6.078 203 HB2 TRP 29 HB2 TRP 29 7.426 -3.648 5.725 204 HB3 TRP 29 HB3 TRP 29 6.681 -4.802 6.819 205 HD1 TRP 29 HD1 TRP 29 8.807 -1.623 6.824 206 HE1 TRP 29 HE1 TRP 29 8.873 -0.642 9.203 207 HE3 TRP 29 HE3 TRP 29 6.459 -5.414 9.343 208 HZ2 TRP 29 HZ2 TRP 29 8.042 -1.384 11.809 209 HZ3 TRP 29 HZ3 TRP 29 6.138 -5.186 11.771 210 HH2 TRP 29 HH2 TRP 29 6.912 -3.208 12.973 211 H ARG 30 H ARG 30 10.717 -4.906 7.900 212 HA ARG 30 HA ARG 30 9.667 -6.723 9.962 213 HB2 ARG 30 HB2 ARG 30 12.564 -6.278 9.233 214 HB3 ARG 30 HB3 ARG 30 11.994 -7.220 10.594 215 HG2 ARG 30 HG2 ARG 30 10.888 -8.769 9.056 216 HG3 ARG 30 HG3 ARG 30 11.522 -7.845 7.698 217 HD2 ARG 30 HD2 ARG 30 12.967 -9.658 7.997 218 HD3 ARG 30 HD3 ARG 30 13.814 -8.264 8.651 219 HE ARG 30 HE ARG 30 12.338 -10.072 10.437 220 HH11 ARG 30 HH11 ARG 30 15.394 -8.643 9.456 221 HH12 ARG 30 HH12 ARG 30 16.240 -9.209 10.858 222 HH21 ARG 30 HH21 ARG 30 13.466 -10.800 12.263 223 HH22 ARG 30 HH22 ARG 30 15.148 -10.429 12.445 224 H SER 31 H SER 31 10.019 -6.090 12.121 225 HA SER 31 HA SER 31 10.143 -3.297 12.629 226 HB2 SER 31 HB2 SER 31 10.024 -3.926 14.993 227 HB3 SER 31 HB3 SER 31 8.844 -4.816 14.052 228 HG SER 31 HG SER 31 10.145 -6.625 14.192 229 H THR 32 H THR 32 11.839 -2.297 14.159 230 HA THR 32 HA THR 32 14.295 -2.330 12.880 231 HB THR 32 HB THR 32 13.898 -1.500 15.756 232 HG1 THR 32 HG1 THR 32 12.704 -0.540 13.642 233 HG21 THR 32 HG21 THR 32 16.262 -1.708 14.981 234 HG22 THR 32 HG22 THR 32 15.800 -0.064 15.426 235 HG23 THR 32 HG23 THR 32 15.908 -0.517 13.726 236 H ASP 33 H ASP 33 13.257 -4.382 15.518 237 HA ASP 33 HA ASP 33 15.919 -5.600 15.723 238 HB2 ASP 33 HB2 ASP 33 13.392 -6.040 17.328 239 HB3 ASP 33 HB3 ASP 33 14.880 -6.949 17.569 240 H GLY 34 H GLY 34 12.747 -6.166 14.429 241 HA2 GLY 34 HA2 GLY 34 12.271 -7.601 12.638 242 HA3 GLY 34 HA3 GLY 34 13.693 -8.552 13.008 243 H ASP 35 H ASP 35 11.721 -7.781 15.709 244 HA ASP 35 HA ASP 35 10.829 -10.464 16.096 245 HB2 ASP 35 HB2 ASP 35 9.694 -9.547 18.076 246 HB3 ASP 35 HB3 ASP 35 11.361 -9.012 17.984 247 H LYS 36 H LYS 36 9.453 -7.525 14.794 248 HA LYS 36 HA LYS 36 6.935 -8.922 14.184 249 HB2 LYS 36 HB2 LYS 36 7.656 -5.977 14.190 250 HB3 LYS 36 HB3 LYS 36 6.162 -6.600 13.521 251 HG2 LYS 36 HG2 LYS 36 5.460 -7.382 15.649 252 HG3 LYS 36 HG3 LYS 36 7.029 -7.006 16.364 253 HD2 LYS 36 HD2 LYS 36 6.530 -4.609 15.480 254 HD3 LYS 36 HD3 LYS 36 4.854 -5.170 15.475 255 HE2 LYS 36 HE2 LYS 36 5.130 -4.159 17.562 256 HE3 LYS 36 HE3 LYS 36 5.247 -5.886 17.882 257 HZ1 LYS 36 HZ1 LYS 36 7.546 -4.023 17.612 258 HZ2 LYS 36 HZ2 LYS 36 7.657 -5.682 17.920 259 HZ3 LYS 36 HZ3 LYS 36 6.954 -4.655 19.067 260 H VAL 37 H VAL 37 6.337 -9.262 12.046 261 HA VAL 37 HA VAL 37 7.951 -8.129 9.919 262 HB VAL 37 HB VAL 37 9.321 -10.014 10.467 263 HG11 VAL 37 HG11 VAL 37 7.788 -11.431 11.671 264 HG12 VAL 37 HG12 VAL 37 8.555 -12.350 10.373 265 HG13 VAL 37 HG13 VAL 37 6.895 -11.779 10.190 266 HG21 VAL 37 HG21 VAL 37 7.866 -10.958 8.027 267 HG22 VAL 37 HG22 VAL 37 9.600 -10.976 8.371 268 HG23 VAL 37 HG23 VAL 37 8.780 -9.452 8.032 269 H HIS 38 H HIS 38 6.779 -7.670 8.185 270 HA HIS 38 HA HIS 38 4.233 -9.086 7.696 271 HB2 HIS 38 HB2 HIS 38 4.859 -6.137 7.388 272 HB3 HIS 38 HB3 HIS 38 3.420 -6.893 6.722 273 HD1 HIS 38 HD1 HIS 38 1.709 -7.889 8.534 274 HD2 HIS 38 HD2 HIS 38 4.678 -5.389 10.018 275 HE1 HIS 38 HE1 HIS 38 0.934 -7.213 10.831 276 HE2 HIS 38 HE2 HIS 38 2.778 -5.753 11.734 277 H THR 39 H THR 39 3.683 -9.448 5.481 278 HA THR 39 HA THR 39 5.883 -9.027 3.569 279 HB THR 39 HB THR 39 4.339 -11.612 3.887 280 HG1 THR 39 HG1 THR 39 6.202 -10.856 5.393 281 HG21 THR 39 HG21 THR 39 5.001 -11.228 1.550 282 HG22 THR 39 HG22 THR 39 5.933 -12.543 2.265 283 HG23 THR 39 HG23 THR 39 6.664 -10.951 2.067 284 H VAL 40 H VAL 40 5.364 -8.611 1.491 285 HA VAL 40 HA VAL 40 2.525 -8.481 0.690 286 HB VAL 40 HB VAL 40 4.632 -6.417 -0.011 287 HG11 VAL 40 HG11 VAL 40 2.822 -6.666 -1.705 288 HG12 VAL 40 HG12 VAL 40 2.896 -5.068 -0.954 289 HG13 VAL 40 HG13 VAL 40 1.665 -6.222 -0.446 290 HG21 VAL 40 HG21 VAL 40 2.426 -6.252 2.016 291 HG22 VAL 40 HG22 VAL 40 3.322 -4.861 1.409 292 HG23 VAL 40 HG23 VAL 40 4.165 -6.131 2.300 293 H VAL 41 H VAL 41 2.425 -10.129 -0.821 294 HA VAL 41 HA VAL 41 4.587 -10.596 -2.680 295 HB VAL 41 HB VAL 41 1.798 -11.829 -2.608 296 HG11 VAL 41 HG11 VAL 41 2.731 -12.074 -4.817 297 HG12 VAL 41 HG12 VAL 41 2.811 -13.631 -3.990 298 HG13 VAL 41 HG13 VAL 41 4.262 -12.643 -4.152 299 HG21 VAL 41 HG21 VAL 41 2.927 -13.785 -1.613 300 HG22 VAL 41 HG22 VAL 41 3.043 -12.351 -0.590 301 HG23 VAL 41 HG23 VAL 41 4.433 -12.863 -1.550 302 H LEU 42 H LEU 42 4.790 -9.540 -4.599 303 HA LEU 42 HA LEU 42 2.981 -7.404 -5.157 304 HB2 LEU 42 HB2 LEU 42 5.483 -8.321 -6.529 305 HB3 LEU 42 HB3 LEU 42 4.494 -7.059 -7.210 306 HG LEU 42 HG LEU 42 6.209 -5.910 -6.118 307 HD11 LEU 42 HD11 LEU 42 5.189 -4.634 -4.422 308 HD12 LEU 42 HD12 LEU 42 4.108 -5.948 -3.981 309 HD13 LEU 42 HD13 LEU 42 3.904 -5.119 -5.526 310 HD21 LEU 42 HD21 LEU 42 7.123 -7.810 -4.870 311 HD22 LEU 42 HD22 LEU 42 5.831 -7.629 -3.683 312 HD23 LEU 42 HD23 LEU 42 7.020 -6.345 -3.892 313 H SER 43 H SER 43 3.265 -10.620 -6.435 314 HA SER 43 HA SER 43 2.123 -10.202 -9.006 315 HB2 SER 43 HB2 SER 43 1.836 -12.622 -9.078 316 HB3 SER 43 HB3 SER 43 3.385 -12.227 -8.344 317 HG SER 43 HG SER 43 1.673 -13.811 -7.323 318 H THR 44 H THR 44 0.778 -10.041 -5.906 319 HA THR 44 HA THR 44 -1.946 -10.089 -7.007 320 HB THR 44 HB THR 44 -2.764 -10.482 -4.702 321 HG1 THR 44 HG1 THR 44 -0.000 -10.509 -4.152 322 HG21 THR 44 HG21 THR 44 -0.794 -12.579 -5.628 323 HG22 THR 44 HG22 THR 44 -2.466 -12.418 -6.169 324 HG23 THR 44 HG23 THR 44 -2.117 -12.838 -4.491 325 H ILE 45 H ILE 45 0.282 -7.971 -6.705 326 HA ILE 45 HA ILE 45 -1.345 -5.826 -5.497 327 HB ILE 45 HB ILE 45 1.632 -5.962 -6.033 328 HG12 ILE 45 HG12 ILE 45 0.992 -7.233 -4.050 329 HG13 ILE 45 HG13 ILE 45 1.900 -5.807 -3.585 330 HG21 ILE 45 HG21 ILE 45 0.713 -3.670 -6.418 331 HG22 ILE 45 HG22 ILE 45 1.946 -3.778 -5.163 332 HG23 ILE 45 HG23 ILE 45 0.243 -3.638 -4.715 333 HD11 ILE 45 HD11 ILE 45 -1.099 -6.091 -3.389 334 HD12 ILE 45 HD12 ILE 45 -0.139 -4.719 -2.832 335 HD13 ILE 45 HD13 ILE 45 0.036 -6.294 -2.061 336 H ASP 46 H ASP 46 -1.906 -4.056 -6.733 337 HA ASP 46 HA ASP 46 -1.503 -4.376 -9.627 338 HB2 ASP 46 HB2 ASP 46 -3.832 -4.566 -8.867 339 HB3 ASP 46 HB3 ASP 46 -3.744 -2.979 -8.142 340 H LYS 47 H LYS 47 -1.696 -1.822 -7.108 341 HA LYS 47 HA LYS 47 0.089 -0.184 -8.785 342 HB2 LYS 47 HB2 LYS 47 -2.324 0.849 -7.309 343 HB3 LYS 47 HB3 LYS 47 -1.106 1.871 -8.029 344 HG2 LYS 47 HG2 LYS 47 -1.715 1.130 -10.245 345 HG3 LYS 47 HG3 LYS 47 -2.835 -0.048 -9.558 346 HD2 LYS 47 HD2 LYS 47 -4.188 1.749 -8.614 347 HD3 LYS 47 HD3 LYS 47 -3.079 2.944 -9.295 348 HE2 LYS 47 HE2 LYS 47 -3.591 2.090 -11.539 349 HE3 LYS 47 HE3 LYS 47 -4.711 0.950 -10.837 350 HZ1 LYS 47 HZ1 LYS 47 -6.045 2.798 -10.027 351 HZ2 LYS 47 HZ2 LYS 47 -5.854 2.907 -11.703 352 HZ3 LYS 47 HZ3 LYS 47 -4.952 3.910 -10.684 353 H LEU 48 H LEU 48 0.758 1.845 -7.461 354 HA LEU 48 HA LEU 48 1.212 1.376 -4.630 355 HB2 LEU 48 HB2 LEU 48 3.785 2.076 -5.346 356 HB3 LEU 48 HB3 LEU 48 3.287 0.464 -4.905 357 HG LEU 48 HG LEU 48 2.834 0.113 -7.401 358 HD11 LEU 48 HD11 LEU 48 4.876 1.762 -8.364 359 HD12 LEU 48 HD12 LEU 48 3.809 2.821 -7.440 360 HD13 LEU 48 HD13 LEU 48 3.156 1.846 -8.753 361 HD21 LEU 48 HD21 LEU 48 5.655 0.510 -6.465 362 HD22 LEU 48 HD22 LEU 48 5.101 -0.540 -7.768 363 HD23 LEU 48 HD23 LEU 48 4.654 -0.899 -6.099 364 H GLN 49 H GLN 49 1.094 3.359 -3.623 365 HA GLN 49 HA GLN 49 1.554 5.764 -5.280 366 HB2 GLN 49 HB2 GLN 49 -0.713 5.285 -3.312 367 HB3 GLN 49 HB3 GLN 49 -0.297 6.869 -3.940 368 HG2 GLN 49 HG2 GLN 49 -0.687 6.001 -6.240 369 HG3 GLN 49 HG3 GLN 49 -1.280 4.499 -5.532 370 HE21 GLN 49 HE21 GLN 49 -3.116 5.330 -6.962 371 HE22 GLN 49 HE22 GLN 49 -4.312 6.302 -6.179 372 H ALA 50 H ALA 50 3.198 6.927 -4.531 373 HA ALA 50 HA ALA 50 3.849 6.832 -1.658 374 HB1 ALA 50 HB1 ALA 50 5.645 7.366 -4.015 375 HB2 ALA 50 HB2 ALA 50 5.563 5.874 -3.073 376 HB3 ALA 50 HB3 ALA 50 6.151 7.356 -2.324 377 H THR 51 H THR 51 4.465 8.720 -0.552 378 HA THR 51 HA THR 51 3.048 11.094 -1.235 379 HB THR 51 HB THR 51 4.168 12.133 0.727 380 HG1 THR 51 HG1 THR 51 6.097 11.222 1.030 381 HG21 THR 51 HG21 THR 51 2.144 11.040 1.273 382 HG22 THR 51 HG22 THR 51 3.312 10.390 2.428 383 HG23 THR 51 HG23 THR 51 2.837 9.435 1.025 384 HA PRO 52 HA PRO 52 6.170 12.987 -4.007 385 HB2 PRO 52 HB2 PRO 52 4.599 15.408 -3.270 386 HB3 PRO 52 HB3 PRO 52 5.120 14.852 -4.860 387 HG2 PRO 52 HG2 PRO 52 2.645 14.552 -4.113 388 HG3 PRO 52 HG3 PRO 52 3.377 13.377 -4.978 389 HD2 PRO 52 HD2 PRO 52 2.795 13.337 -2.123 390 HD3 PRO 52 HD3 PRO 52 2.780 12.062 -3.143 391 H ALA 53 H ALA 53 7.780 14.673 -3.858 392 HA ALA 53 HA ALA 53 8.931 14.982 -1.264 393 HB1 ALA 53 HB1 ALA 53 9.705 16.308 -3.861 394 HB2 ALA 53 HB2 ALA 53 10.286 14.741 -3.296 395 HB3 ALA 53 HB3 ALA 53 10.695 16.207 -2.405 396 H SER 54 H SER 54 6.569 16.731 -2.921 397 HA SER 54 HA SER 54 7.008 19.209 -1.442 398 HB2 SER 54 HB2 SER 54 5.071 20.038 -2.740 399 HB3 SER 54 HB3 SER 54 6.375 19.454 -3.764 400 HG SER 54 HG SER 54 4.847 17.385 -3.332 401 H SER 55 H SER 55 5.272 16.291 -1.218 402 HA SER 55 HA SER 55 3.004 17.149 0.245 403 HB2 SER 55 HB2 SER 55 2.913 15.095 -0.958 404 HB3 SER 55 HB3 SER 55 4.263 14.430 -0.040 405 HG SER 55 HG SER 55 1.849 15.290 1.163 406 H GLU 56 H GLU 56 2.598 17.319 2.341 407 HA GLU 56 HA GLU 56 4.501 17.745 4.333 408 HB2 GLU 56 HB2 GLU 56 1.657 16.791 4.675 409 HB3 GLU 56 HB3 GLU 56 2.624 17.611 5.889 410 HG2 GLU 56 HG2 GLU 56 1.157 19.205 4.996 411 HG3 GLU 56 HG3 GLU 56 2.743 19.568 4.318 412 H LYS 57 H LYS 57 3.276 14.853 3.083 413 HA LYS 57 HA LYS 57 3.626 13.288 5.491 414 HB2 LYS 57 HB2 LYS 57 2.376 12.723 2.830 415 HB3 LYS 57 HB3 LYS 57 2.442 11.591 4.144 416 HG2 LYS 57 HG2 LYS 57 1.180 13.301 5.487 417 HG3 LYS 57 HG3 LYS 57 0.929 14.153 3.989 418 HD2 LYS 57 HD2 LYS 57 -0.189 12.161 3.074 419 HD3 LYS 57 HD3 LYS 57 0.003 11.374 4.644 420 HE2 LYS 57 HE2 LYS 57 -1.441 13.950 4.121 421 HE3 LYS 57 HE3 LYS 57 -2.212 12.389 4.405 422 HZ1 LYS 57 HZ1 LYS 57 -2.196 13.709 6.420 423 HZ2 LYS 57 HZ2 LYS 57 -0.512 13.853 6.353 424 HZ3 LYS 57 HZ3 LYS 57 -1.220 12.340 6.617 425 H MET 58 H MET 58 4.794 11.425 5.622 426 HA MET 58 HA MET 58 6.501 10.704 3.334 427 HB2 MET 58 HB2 MET 58 7.177 10.466 6.276 428 HB3 MET 58 HB3 MET 58 8.175 9.881 4.969 429 HG2 MET 58 HG2 MET 58 8.402 12.195 4.137 430 HG3 MET 58 HG3 MET 58 7.452 12.760 5.508 431 HE1 MET 58 HE1 MET 58 8.432 13.200 7.897 432 HE2 MET 58 HE2 MET 58 9.792 12.281 8.544 433 HE3 MET 58 HE3 MET 58 8.323 11.447 8.029 434 H MET 59 H MET 59 5.317 9.090 2.489 435 HA MET 59 HA MET 59 4.871 6.667 3.984 436 HB2 MET 59 HB2 MET 59 2.537 8.170 2.818 437 HB3 MET 59 HB3 MET 59 2.463 6.579 3.514 438 HG2 MET 59 HG2 MET 59 2.848 7.397 5.660 439 HG3 MET 59 HG3 MET 59 3.341 8.975 5.093 440 HE1 MET 59 HE1 MET 59 -1.124 7.580 4.957 441 HE2 MET 59 HE2 MET 59 0.094 6.585 5.771 442 HE3 MET 59 HE3 MET 59 0.173 6.826 4.029 443 H LEU 60 H LEU 60 4.231 4.884 2.684 444 HA LEU 60 HA LEU 60 4.284 5.256 -0.223 445 HB2 LEU 60 HB2 LEU 60 6.534 4.613 0.338 446 HB3 LEU 60 HB3 LEU 60 5.970 3.343 1.395 447 HG LEU 60 HG LEU 60 5.113 2.127 -0.602 448 HD11 LEU 60 HD11 LEU 60 5.720 2.781 -2.790 449 HD12 LEU 60 HD12 LEU 60 6.625 4.173 -2.182 450 HD13 LEU 60 HD13 LEU 60 4.869 4.119 -2.020 451 HD21 LEU 60 HD21 LEU 60 8.042 2.821 -0.650 452 HD22 LEU 60 HD22 LEU 60 7.293 1.473 -1.521 453 HD23 LEU 60 HD23 LEU 60 7.282 1.499 0.248 454 H ARG 61 H ARG 61 2.477 4.377 -1.033 455 HA ARG 61 HA ARG 61 1.039 2.415 0.602 456 HB2 ARG 61 HB2 ARG 61 0.025 4.149 -1.644 457 HB3 ARG 61 HB3 ARG 61 -0.951 3.028 -0.729 458 HG2 ARG 61 HG2 ARG 61 0.044 4.510 1.274 459 HG3 ARG 61 HG3 ARG 61 0.020 5.700 -0.020 460 HD2 ARG 61 HD2 ARG 61 -2.384 3.995 0.496 461 HD3 ARG 61 HD3 ARG 61 -2.068 5.397 1.513 462 HE ARG 61 HE ARG 61 -1.916 6.329 -1.066 463 HH11 ARG 61 HH11 ARG 61 -4.398 4.765 0.865 464 HH12 ARG 61 HH12 ARG 61 -5.701 5.483 -0.022 465 HH21 ARG 61 HH21 ARG 61 -3.638 7.252 -2.215 466 HH22 ARG 61 HH22 ARG 61 -5.270 6.886 -1.765 467 H LEU 62 H LEU 62 0.200 0.549 -0.218 468 HA LEU 62 HA LEU 62 1.115 -0.349 -2.871 469 HB2 LEU 62 HB2 LEU 62 1.089 -1.927 -0.296 470 HB3 LEU 62 HB3 LEU 62 1.487 -2.574 -1.868 471 HG LEU 62 HG LEU 62 3.115 -0.555 -0.320 472 HD11 LEU 62 HD11 LEU 62 4.706 -2.350 -0.004 473 HD12 LEU 62 HD12 LEU 62 3.617 -3.466 -0.830 474 HD13 LEU 62 HD13 LEU 62 3.136 -2.735 0.705 475 HD21 LEU 62 HD21 LEU 62 3.368 -0.311 -2.779 476 HD22 LEU 62 HD22 LEU 62 3.894 -1.988 -2.854 477 HD23 LEU 62 HD23 LEU 62 4.849 -0.808 -1.957 478 H ILE 63 H ILE 63 -0.690 -0.581 -4.050 479 HA ILE 63 HA ILE 63 -3.255 -1.144 -2.763 480 HB ILE 63 HB ILE 63 -2.590 -0.303 -5.593 481 HG12 ILE 63 HG12 ILE 63 -4.019 1.307 -3.469 482 HG13 ILE 63 HG13 ILE 63 -2.313 1.477 -3.824 483 HG21 ILE 63 HG21 ILE 63 -4.978 0.078 -5.958 484 HG22 ILE 63 HG22 ILE 63 -5.325 -0.596 -4.363 485 HG23 ILE 63 HG23 ILE 63 -4.636 -1.622 -5.623 486 HD11 ILE 63 HD11 ILE 63 -2.880 2.192 -6.099 487 HD12 ILE 63 HD12 ILE 63 -3.548 3.242 -4.855 488 HD13 ILE 63 HD13 ILE 63 -4.591 2.082 -5.682 489 H GLY 64 H GLY 64 -4.551 -2.924 -3.250 490 HA2 GLY 64 HA2 GLY 64 -3.025 -5.255 -4.127 491 HA3 GLY 64 HA3 GLY 64 -4.500 -5.281 -3.187 492 H LYS 65 H LYS 65 -3.896 -6.912 -5.431 493 HA LYS 65 HA LYS 65 -5.427 -5.958 -7.680 494 HB2 LYS 65 HB2 LYS 65 -3.417 -7.455 -7.869 495 HB3 LYS 65 HB3 LYS 65 -4.414 -8.745 -7.199 496 HG2 LYS 65 HG2 LYS 65 -5.899 -8.648 -9.048 497 HG3 LYS 65 HG3 LYS 65 -5.096 -7.216 -9.690 498 HD2 LYS 65 HD2 LYS 65 -3.084 -8.466 -10.110 499 HD3 LYS 65 HD3 LYS 65 -3.768 -9.901 -9.350 500 HE2 LYS 65 HE2 LYS 65 -3.880 -10.090 -11.771 501 HE3 LYS 65 HE3 LYS 65 -5.505 -9.961 -11.101 502 HZ1 LYS 65 HZ1 LYS 65 -5.238 -8.573 -13.060 503 HZ2 LYS 65 HZ2 LYS 65 -3.953 -7.746 -12.338 504 HZ3 LYS 65 HZ3 LYS 65 -5.512 -7.613 -11.694 505 H VAL 66 H VAL 66 -7.513 -5.935 -7.659 506 HA VAL 66 HA VAL 66 -9.001 -8.105 -6.367 507 HB VAL 66 HB VAL 66 -9.567 -5.146 -6.234 508 HG11 VAL 66 HG11 VAL 66 -11.713 -6.297 -6.600 509 HG12 VAL 66 HG12 VAL 66 -11.587 -5.541 -5.008 510 HG13 VAL 66 HG13 VAL 66 -11.392 -7.290 -5.176 511 HG21 VAL 66 HG21 VAL 66 -8.910 -7.271 -4.231 512 HG22 VAL 66 HG22 VAL 66 -9.619 -5.733 -3.766 513 HG23 VAL 66 HG23 VAL 66 -8.045 -5.771 -4.569 514 H ASP 67 H ASP 67 -10.745 -8.901 -7.362 515 HA ASP 67 HA ASP 67 -11.339 -7.996 -10.092 516 HB2 ASP 67 HB2 ASP 67 -10.722 -10.370 -9.856 517 HB3 ASP 67 HB3 ASP 67 -12.000 -10.596 -8.673 518 H GLU 68 H GLU 68 -12.946 -6.536 -10.119 519 HA GLU 68 HA GLU 68 -14.864 -6.440 -7.940 520 HB2 GLU 68 HB2 GLU 68 -15.461 -4.262 -8.747 521 HB3 GLU 68 HB3 GLU 68 -13.709 -4.393 -8.791 522 HG2 GLU 68 HG2 GLU 68 -13.778 -4.789 -11.191 523 HG3 GLU 68 HG3 GLU 68 -15.541 -4.716 -11.168 524 H SER 69 H SER 69 -14.838 -8.084 -10.815 525 HA SER 69 HA SER 69 -17.620 -7.714 -11.524 526 HB2 SER 69 HB2 SER 69 -17.230 -9.365 -13.254 527 HB3 SER 69 HB3 SER 69 -15.876 -8.237 -13.231 528 HG SER 69 HG SER 69 -14.587 -9.769 -12.428 529 H LYS 70 H LYS 70 -16.244 -9.173 -8.982 530 HA LYS 70 HA LYS 70 -18.087 -11.452 -8.837 531 HB2 LYS 70 HB2 LYS 70 -15.681 -10.661 -7.191 532 HB3 LYS 70 HB3 LYS 70 -16.744 -11.970 -6.724 533 HG2 LYS 70 HG2 LYS 70 -16.213 -13.194 -8.718 534 HG3 LYS 70 HG3 LYS 70 -15.284 -11.847 -9.355 535 HD2 LYS 70 HD2 LYS 70 -13.707 -12.105 -7.439 536 HD3 LYS 70 HD3 LYS 70 -14.623 -13.510 -6.903 537 HE2 LYS 70 HE2 LYS 70 -14.053 -14.680 -8.967 538 HE3 LYS 70 HE3 LYS 70 -13.212 -13.248 -9.558 539 HZ1 LYS 70 HZ1 LYS 70 -11.645 -13.454 -7.734 540 HZ2 LYS 70 HZ2 LYS 70 -11.666 -14.870 -8.660 541 HZ3 LYS 70 HZ3 LYS 70 -12.450 -14.827 -7.162 542 H LYS 71 H LYS 71 -19.029 -8.749 -8.663 543 HA LYS 71 HA LYS 71 -19.498 -7.550 -6.271 544 HB2 LYS 71 HB2 LYS 71 -21.595 -7.937 -8.423 545 HB3 LYS 71 HB3 LYS 71 -21.604 -6.702 -7.173 546 HG2 LYS 71 HG2 LYS 71 -19.585 -5.714 -8.119 547 HG3 LYS 71 HG3 LYS 71 -19.581 -6.935 -9.384 548 HD2 LYS 71 HD2 LYS 71 -21.765 -6.154 -10.136 549 HD3 LYS 71 HD3 LYS 71 -21.758 -4.898 -8.890 550 HE2 LYS 71 HE2 LYS 71 -19.804 -3.899 -9.894 551 HE3 LYS 71 HE3 LYS 71 -19.715 -5.184 -11.092 552 HZ1 LYS 71 HZ1 LYS 71 -21.844 -4.466 -11.974 553 HZ2 LYS 71 HZ2 LYS 71 -20.734 -3.190 -12.004 554 HZ3 LYS 71 HZ3 LYS 71 -21.940 -3.234 -10.819 555 H ARG 72 H ARG 72 -20.251 -8.196 -4.378 556 HA ARG 72 HA ARG 72 -21.839 -10.661 -4.246 557 HB2 ARG 72 HB2 ARG 72 -20.004 -9.287 -2.273 558 HB3 ARG 72 HB3 ARG 72 -20.977 -10.679 -1.851 559 HG2 ARG 72 HG2 ARG 72 -19.775 -11.963 -3.629 560 HG3 ARG 72 HG3 ARG 72 -18.734 -10.559 -3.868 561 HD2 ARG 72 HD2 ARG 72 -17.625 -12.125 -2.415 562 HD3 ARG 72 HD3 ARG 72 -18.076 -10.695 -1.485 563 HE ARG 72 HE ARG 72 -19.404 -13.320 -1.353 564 HH11 ARG 72 HH11 ARG 72 -18.814 -10.155 0.060 565 HH12 ARG 72 HH12 ARG 72 -19.589 -10.553 1.556 566 HH21 ARG 72 HH21 ARG 72 -20.409 -13.817 0.614 567 HH22 ARG 72 HH22 ARG 72 -20.491 -12.624 1.868 568 H LYS 73 H LYS 73 -23.584 -10.820 -2.729 569 HA LYS 73 HA LYS 73 -24.697 -8.259 -1.794 570 HB2 LYS 73 HB2 LYS 73 -26.213 -10.591 -2.998 571 HB3 LYS 73 HB3 LYS 73 -26.978 -9.238 -2.177 572 HG2 LYS 73 HG2 LYS 73 -26.139 -7.704 -3.836 573 HG3 LYS 73 HG3 LYS 73 -25.253 -9.004 -4.628 574 HD2 LYS 73 HD2 LYS 73 -27.374 -10.130 -5.126 575 HD3 LYS 73 HD3 LYS 73 -28.246 -8.805 -4.348 576 HE2 LYS 73 HE2 LYS 73 -27.322 -7.237 -5.991 577 HE3 LYS 73 HE3 LYS 73 -26.450 -8.567 -6.759 578 HZ1 LYS 73 HZ1 LYS 73 -28.479 -8.051 -7.952 579 HZ2 LYS 73 HZ2 LYS 73 -29.406 -8.316 -6.563 580 HZ3 LYS 73 HZ3 LYS 73 -28.577 -9.603 -7.283 581 H ASP 74 H ASP 74 -25.701 -8.283 0.195 582 HA ASP 74 HA ASP 74 -24.792 -10.382 1.967 583 HB2 ASP 74 HB2 ASP 74 -25.366 -8.862 3.782 584 HB3 ASP 74 HB3 ASP 74 -24.442 -8.008 2.557 585 H ASN 75 H ASN 75 -26.685 -10.344 4.024 586 HA ASN 75 HA ASN 75 -28.377 -12.420 3.258 587 HB2 ASN 75 HB2 ASN 75 -28.416 -10.577 5.638 588 HB3 ASN 75 HB3 ASN 75 -29.578 -11.883 5.460 589 HD21 ASN 75 HD21 ASN 75 -27.733 -11.616 7.563 590 HD22 ASN 75 HD22 ASN 75 -26.641 -12.953 7.501 591 H GLU 76 H GLU 76 -28.997 -8.967 3.191 592 HA GLU 76 HA GLU 76 -31.871 -9.358 2.897 593 HB2 GLU 76 HB2 GLU 76 -30.206 -6.844 3.084 594 HB3 GLU 76 HB3 GLU 76 -31.954 -6.855 2.898 595 HG2 GLU 76 HG2 GLU 76 -32.154 -8.069 5.032 596 HG3 GLU 76 HG3 GLU 76 -30.402 -7.996 5.216 597 H GLY 77 H GLY 77 -29.105 -8.778 0.902 598 HA2 GLY 77 HA2 GLY 77 -29.240 -9.283 -1.450 599 HA3 GLY 77 HA3 GLY 77 -30.873 -8.642 -1.453 600 H ASN 78 H ASN 78 -28.458 -6.869 0.257 601 HA ASN 78 HA ASN 78 -28.515 -4.740 -1.742 602 HB2 ASN 78 HB2 ASN 78 -27.345 -4.820 1.053 603 HB3 ASN 78 HB3 ASN 78 -27.334 -3.406 0.004 604 HD21 ASN 78 HD21 ASN 78 -28.518 -3.673 2.610 605 HD22 ASN 78 HD22 ASN 78 -30.209 -3.371 2.426 606 H GLU 79 H GLU 79 -26.636 -3.869 -2.696 607 HA GLU 79 HA GLU 79 -24.728 -5.873 -3.403 608 HB2 GLU 79 HB2 GLU 79 -23.736 -4.046 -4.811 609 HB3 GLU 79 HB3 GLU 79 -25.434 -4.371 -5.113 610 HG2 GLU 79 HG2 GLU 79 -24.445 -2.154 -3.367 611 HG3 GLU 79 HG3 GLU 79 -24.777 -1.959 -5.081 612 H VAL 80 H VAL 80 -23.098 -6.434 -2.182 613 HA VAL 80 HA VAL 80 -21.586 -4.348 -0.761 614 HB VAL 80 HB VAL 80 -21.788 -7.274 0.014 615 HG11 VAL 80 HG11 VAL 80 -20.506 -6.611 2.010 616 HG12 VAL 80 HG12 VAL 80 -20.312 -4.999 1.322 617 HG13 VAL 80 HG13 VAL 80 -19.596 -6.394 0.516 618 HG21 VAL 80 HG21 VAL 80 -22.973 -6.565 2.000 619 HG22 VAL 80 HG22 VAL 80 -23.834 -5.998 0.566 620 HG23 VAL 80 HG23 VAL 80 -22.848 -4.879 1.506 621 H VAL 81 H VAL 81 -19.983 -3.823 -2.062 622 HA VAL 81 HA VAL 81 -18.843 -5.866 -3.774 623 HB VAL 81 HB VAL 81 -18.507 -2.882 -3.939 624 HG11 VAL 81 HG11 VAL 81 -17.656 -5.014 -5.884 625 HG12 VAL 81 HG12 VAL 81 -16.617 -3.909 -4.981 626 HG13 VAL 81 HG13 VAL 81 -17.683 -3.288 -6.241 627 HG21 VAL 81 HG21 VAL 81 -20.022 -2.962 -5.872 628 HG22 VAL 81 HG22 VAL 81 -20.808 -3.480 -4.380 629 HG23 VAL 81 HG23 VAL 81 -20.296 -4.678 -5.568 630 HA PRO 82 HA PRO 82 -15.228 -6.212 -1.088 631 HB2 PRO 82 HB2 PRO 82 -14.180 -7.672 -3.465 632 HB3 PRO 82 HB3 PRO 82 -14.215 -8.172 -1.771 633 HG2 PRO 82 HG2 PRO 82 -15.935 -9.225 -3.348 634 HG3 PRO 82 HG3 PRO 82 -16.493 -8.654 -1.924 635 HD2 PRO 82 HD2 PRO 82 -16.611 -7.229 -4.505 636 HD3 PRO 82 HD3 PRO 82 -17.875 -7.487 -3.503 637 H LYS 83 H LYS 83 -13.744 -4.768 -0.809 638 HA LYS 83 HA LYS 83 -12.837 -3.132 -3.041 639 HB2 LYS 83 HB2 LYS 83 -12.764 -2.604 -0.095 640 HB3 LYS 83 HB3 LYS 83 -12.094 -1.529 -1.307 641 HG2 LYS 83 HG2 LYS 83 -14.282 -1.146 -2.244 642 HG3 LYS 83 HG3 LYS 83 -14.965 -2.333 -1.160 643 HD2 LYS 83 HD2 LYS 83 -14.413 -0.921 0.765 644 HD3 LYS 83 HD3 LYS 83 -13.692 0.254 -0.328 645 HE2 LYS 83 HE2 LYS 83 -15.887 0.613 -1.381 646 HE3 LYS 83 HE3 LYS 83 -16.604 -0.545 -0.263 647 HZ1 LYS 83 HZ1 LYS 83 -15.303 2.019 0.493 648 HZ2 LYS 83 HZ2 LYS 83 -15.982 0.909 1.572 649 HZ3 LYS 83 HZ3 LYS 83 -16.969 1.724 0.468 650 HA PRO 84 HA PRO 84 -8.626 -4.607 -2.790 651 HB2 PRO 84 HB2 PRO 84 -7.197 -2.535 -3.762 652 HB3 PRO 84 HB3 PRO 84 -8.153 -3.598 -4.795 653 HG2 PRO 84 HG2 PRO 84 -8.790 -0.912 -3.850 654 HG3 PRO 84 HG3 PRO 84 -9.081 -1.576 -5.314 655 HD2 PRO 84 HD2 PRO 84 -11.034 -1.478 -3.408 656 HD3 PRO 84 HD3 PRO 84 -11.048 -2.634 -4.562 657 H GLN 85 H GLN 85 -6.830 -4.543 -1.570 658 HA GLN 85 HA GLN 85 -6.955 -2.839 0.797 659 HB2 GLN 85 HB2 GLN 85 -5.302 -5.295 0.195 660 HB3 GLN 85 HB3 GLN 85 -5.213 -4.393 1.699 661 HG2 GLN 85 HG2 GLN 85 -7.575 -4.890 2.129 662 HG3 GLN 85 HG3 GLN 85 -7.648 -5.806 0.630 663 HE21 GLN 85 HE21 GLN 85 -8.434 -7.372 2.347 664 HE22 GLN 85 HE22 GLN 85 -7.242 -8.410 3.044 665 H ARG 86 H ARG 86 -5.516 -1.328 1.310 666 HA ARG 86 HA ARG 86 -3.244 -0.892 -0.532 667 HB2 ARG 86 HB2 ARG 86 -4.811 1.226 0.974 668 HB3 ARG 86 HB3 ARG 86 -3.482 1.514 -0.137 669 HG2 ARG 86 HG2 ARG 86 -4.818 0.620 -1.978 670 HG3 ARG 86 HG3 ARG 86 -6.148 0.313 -0.868 671 HD2 ARG 86 HD2 ARG 86 -4.970 3.023 -1.475 672 HD3 ARG 86 HD3 ARG 86 -6.471 2.385 -2.149 673 HE ARG 86 HE ARG 86 -6.035 3.349 0.559 674 HH11 ARG 86 HH11 ARG 86 -8.224 1.692 -1.634 675 HH12 ARG 86 HH12 ARG 86 -9.611 1.957 -0.631 676 HH21 ARG 86 HH21 ARG 86 -7.862 3.682 1.853 677 HH22 ARG 86 HH22 ARG 86 -9.406 3.084 1.340 678 H HIS 87 H HIS 87 -1.364 -1.299 0.425 679 HA HIS 87 HA HIS 87 -1.149 -1.218 3.346 680 HB2 HIS 87 HB2 HIS 87 0.940 -2.312 1.471 681 HB3 HIS 87 HB3 HIS 87 0.674 -2.720 3.155 682 HD1 HIS 87 HD1 HIS 87 -0.930 -4.626 3.640 683 HD2 HIS 87 HD2 HIS 87 -0.863 -3.525 -0.367 684 HE1 HIS 87 HE1 HIS 87 -2.185 -6.434 2.422 685 HE2 HIS 87 HE2 HIS 87 -2.145 -5.740 0.002 686 H MET 88 H MET 88 -0.383 0.582 4.228 687 HA MET 88 HA MET 88 1.343 2.360 2.645 688 HB2 MET 88 HB2 MET 88 -0.001 3.111 5.234 689 HB3 MET 88 HB3 MET 88 0.524 4.147 3.931 690 HG2 MET 88 HG2 MET 88 -1.278 3.287 2.505 691 HG3 MET 88 HG3 MET 88 -1.809 2.288 3.839 692 HE1 MET 88 HE1 MET 88 -2.976 4.854 6.492 693 HE2 MET 88 HE2 MET 88 -1.277 4.398 6.359 694 HE3 MET 88 HE3 MET 88 -2.542 3.185 6.148 695 H PHE 89 H PHE 89 3.297 3.076 3.359 696 HA PHE 89 HA PHE 89 4.323 2.110 5.947 697 HB2 PHE 89 HB2 PHE 89 5.743 1.938 3.281 698 HB3 PHE 89 HB3 PHE 89 6.543 1.718 4.821 699 HD1 PHE 89 HD1 PHE 89 4.245 0.250 2.391 700 HD2 PHE 89 HD2 PHE 89 6.250 -0.295 6.100 701 HE1 PHE 89 HE1 PHE 89 3.719 -2.153 2.324 702 HE2 PHE 89 HE2 PHE 89 5.725 -2.693 6.057 703 HZ PHE 89 HZ PHE 89 4.450 -3.624 4.110 704 H SER 90 H SER 90 5.318 3.730 7.085 705 HA SER 90 HA SER 90 5.585 6.338 5.841 706 HB2 SER 90 HB2 SER 90 5.821 5.345 8.645 707 HB3 SER 90 HB3 SER 90 6.374 6.960 8.227 708 HG SER 90 HG SER 90 4.289 7.239 8.772 709 H PHE 91 H PHE 91 7.450 7.532 5.656 710 HA PHE 91 HA PHE 91 9.979 6.015 5.715 711 HB2 PHE 91 HB2 PHE 91 8.634 7.419 3.454 712 HB3 PHE 91 HB3 PHE 91 10.386 7.495 3.523 713 HD1 PHE 91 HD1 PHE 91 7.548 5.099 3.559 714 HD2 PHE 91 HD2 PHE 91 11.662 5.742 2.656 715 HE1 PHE 91 HE1 PHE 91 7.664 2.864 2.526 716 HE2 PHE 91 HE2 PHE 91 11.773 3.508 1.626 717 HZ PHE 91 HZ PHE 91 9.798 2.110 1.488 718 H ASN 92 H ASN 92 11.875 7.604 5.171 719 HA ASN 92 HA ASN 92 11.476 10.103 6.660 720 HB2 ASN 92 HB2 ASN 92 13.907 8.301 6.819 721 HB3 ASN 92 HB3 ASN 92 13.760 9.864 7.601 722 HD21 ASN 92 HD21 ASN 92 13.354 6.539 7.975 723 HD22 ASN 92 HD22 ASN 92 12.453 6.559 9.447 724 H ASN 93 H ASN 93 12.621 8.650 3.785 725 HA ASN 93 HA ASN 93 13.539 11.228 2.787 726 HB2 ASN 93 HB2 ASN 93 15.578 10.004 3.670 727 HB3 ASN 93 HB3 ASN 93 15.289 8.781 2.439 728 HD21 ASN 93 HD21 ASN 93 17.661 10.151 2.564 729 HD22 ASN 93 HD22 ASN 93 17.797 11.204 1.201 730 H ARG 94 H ARG 94 12.803 11.569 0.805 731 HA ARG 94 HA ARG 94 11.168 9.790 -0.602 732 HB2 ARG 94 HB2 ARG 94 12.465 12.389 -1.327 733 HB3 ARG 94 HB3 ARG 94 11.595 11.462 -2.540 734 HG2 ARG 94 HG2 ARG 94 10.105 13.091 -1.636 735 HG3 ARG 94 HG3 ARG 94 9.595 11.508 -1.057 736 HD2 ARG 94 HD2 ARG 94 10.681 11.936 1.080 737 HD3 ARG 94 HD3 ARG 94 11.241 13.496 0.504 738 HE ARG 94 HE ARG 94 8.360 12.958 0.608 739 HH11 ARG 94 HH11 ARG 94 11.114 14.783 1.807 740 HH12 ARG 94 HH12 ARG 94 10.129 15.956 2.615 741 HH21 ARG 94 HH21 ARG 94 7.094 14.505 1.674 742 HH22 ARG 94 HH22 ARG 94 7.856 15.797 2.541 743 H THR 95 H THR 95 14.592 9.996 -0.578 744 HA THR 95 HA THR 95 15.067 8.985 -3.223 745 HB THR 95 HB THR 95 17.426 8.756 -2.495 746 HG1 THR 95 HG1 THR 95 17.746 9.724 -0.251 747 HG21 THR 95 HG21 THR 95 17.881 11.119 -2.012 748 HG22 THR 95 HG22 THR 95 16.182 11.373 -1.613 749 HG23 THR 95 HG23 THR 95 16.648 10.963 -3.264 750 H VAL 96 H VAL 96 14.492 7.540 -0.082 751 HA VAL 96 HA VAL 96 15.304 4.874 -0.913 752 HB VAL 96 HB VAL 96 13.659 5.625 1.531 753 HG11 VAL 96 HG11 VAL 96 15.344 3.166 1.062 754 HG12 VAL 96 HG12 VAL 96 13.600 3.230 0.836 755 HG13 VAL 96 HG13 VAL 96 14.288 3.493 2.436 756 HG21 VAL 96 HG21 VAL 96 15.818 6.785 1.585 757 HG22 VAL 96 HG22 VAL 96 16.649 5.245 1.368 758 HG23 VAL 96 HG23 VAL 96 15.713 5.545 2.835 759 H MET 97 H MET 97 12.174 6.277 0.124 760 HA MET 97 HA MET 97 10.425 4.316 -0.645 761 HB2 MET 97 HB2 MET 97 8.737 6.067 -0.742 762 HB3 MET 97 HB3 MET 97 9.765 6.297 0.647 763 HG2 MET 97 HG2 MET 97 10.749 8.170 -0.338 764 HG3 MET 97 HG3 MET 97 10.169 7.703 -1.926 765 HE1 MET 97 HE1 MET 97 7.688 9.747 1.360 766 HE2 MET 97 HE2 MET 97 9.435 9.529 1.360 767 HE3 MET 97 HE3 MET 97 8.379 8.143 1.614 768 H ASP 98 H ASP 98 11.966 6.664 -2.785 769 HA ASP 98 HA ASP 98 10.391 5.916 -5.085 770 HB2 ASP 98 HB2 ASP 98 12.838 7.615 -4.639 771 HB3 ASP 98 HB3 ASP 98 12.389 7.139 -6.269 772 H ASN 99 H ASN 99 13.486 4.948 -3.720 773 HA ASN 99 HA ASN 99 14.265 3.302 -5.949 774 HB2 ASN 99 HB2 ASN 99 15.293 3.737 -3.150 775 HB3 ASN 99 HB3 ASN 99 15.935 2.431 -4.129 776 HD21 ASN 99 HD21 ASN 99 17.657 4.271 -3.296 777 HD22 ASN 99 HD22 ASN 99 18.141 5.320 -4.581 778 H ILE 100 H ILE 100 12.551 2.733 -2.888 779 HA ILE 100 HA ILE 100 12.422 -0.119 -3.170 780 HB ILE 100 HB ILE 100 10.644 1.752 -1.563 781 HG12 ILE 100 HG12 ILE 100 12.925 1.789 -0.712 782 HG13 ILE 100 HG13 ILE 100 11.884 0.979 0.426 783 HG21 ILE 100 HG21 ILE 100 10.820 -1.237 -1.233 784 HG22 ILE 100 HG22 ILE 100 9.527 -0.402 -2.081 785 HG23 ILE 100 HG23 ILE 100 9.768 -0.121 -0.360 786 HD11 ILE 100 HD11 ILE 100 14.022 -0.111 0.317 787 HD12 ILE 100 HD12 ILE 100 13.881 -0.303 -1.431 788 HD13 ILE 100 HD13 ILE 100 12.789 -1.181 -0.358 789 H LYS 101 H LYS 101 10.013 2.479 -3.711 790 HA LYS 101 HA LYS 101 8.020 1.151 -5.056 791 HB2 LYS 101 HB2 LYS 101 7.895 3.486 -4.341 792 HB3 LYS 101 HB3 LYS 101 9.067 3.930 -5.571 793 HG2 LYS 101 HG2 LYS 101 7.504 3.309 -7.323 794 HG3 LYS 101 HG3 LYS 101 6.346 2.768 -6.111 795 HD2 LYS 101 HD2 LYS 101 6.160 5.057 -5.262 796 HD3 LYS 101 HD3 LYS 101 7.352 5.589 -6.442 797 HE2 LYS 101 HE2 LYS 101 5.766 4.753 -8.226 798 HE3 LYS 101 HE3 LYS 101 4.555 4.606 -6.951 799 HZ1 LYS 101 HZ1 LYS 101 5.964 7.101 -7.737 800 HZ2 LYS 101 HZ2 LYS 101 4.823 6.972 -6.496 801 HZ3 LYS 101 HZ3 LYS 101 4.359 6.713 -8.101 802 H MET 102 H MET 102 10.999 2.488 -6.430 803 HA MET 102 HA MET 102 10.559 2.056 -9.141 804 HB2 MET 102 HB2 MET 102 12.423 3.343 -8.261 805 HB3 MET 102 HB3 MET 102 13.114 1.917 -7.545 806 HG2 MET 102 HG2 MET 102 12.944 1.241 -10.206 807 HG3 MET 102 HG3 MET 102 13.316 2.964 -10.239 808 HE1 MET 102 HE1 MET 102 14.757 -0.357 -10.458 809 HE2 MET 102 HE2 MET 102 14.556 -0.525 -8.715 810 HE3 MET 102 HE3 MET 102 16.170 -0.422 -9.409 811 H THR 103 H THR 103 12.211 -0.183 -6.856 812 HA THR 103 HA THR 103 12.462 -2.343 -8.636 813 HB THR 103 HB THR 103 12.159 -2.488 -5.619 814 HG1 THR 103 HG1 THR 103 14.089 -1.422 -7.121 815 HG21 THR 103 HG21 THR 103 11.914 -4.694 -6.685 816 HG22 THR 103 HG22 THR 103 13.436 -4.590 -5.801 817 HG23 THR 103 HG23 THR 103 13.426 -4.443 -7.557 818 H LEU 104 H LEU 104 9.999 -1.882 -6.065 819 HA LEU 104 HA LEU 104 8.233 -3.890 -6.476 820 HB2 LEU 104 HB2 LEU 104 7.629 -0.966 -5.961 821 HB3 LEU 104 HB3 LEU 104 6.431 -2.224 -5.804 822 HG LEU 104 HG LEU 104 8.921 -1.943 -4.128 823 HD11 LEU 104 HD11 LEU 104 6.910 -1.760 -2.388 824 HD12 LEU 104 HD12 LEU 104 6.103 -1.083 -3.802 825 HD13 LEU 104 HD13 LEU 104 7.587 -0.357 -3.195 826 HD21 LEU 104 HD21 LEU 104 8.357 -3.833 -2.966 827 HD22 LEU 104 HD22 LEU 104 7.879 -4.305 -4.596 828 HD23 LEU 104 HD23 LEU 104 6.664 -3.747 -3.438 829 H GLN 105 H GLN 105 7.978 -0.717 -8.029 830 HA GLN 105 HA GLN 105 5.963 -1.117 -9.870 831 HB2 GLN 105 HB2 GLN 105 7.041 1.049 -9.372 832 HB3 GLN 105 HB3 GLN 105 8.461 0.555 -10.264 833 HG2 GLN 105 HG2 GLN 105 7.180 0.472 -12.323 834 HG3 GLN 105 HG3 GLN 105 5.710 0.861 -11.437 835 HE21 GLN 105 HE21 GLN 105 8.937 2.096 -12.190 836 HE22 GLN 105 HE22 GLN 105 8.495 3.766 -12.172 837 H GLN 106 H GLN 106 9.307 -2.119 -10.158 838 HA GLN 106 HA GLN 106 9.086 -2.860 -12.943 839 HB2 GLN 106 HB2 GLN 106 11.261 -3.070 -10.868 840 HB3 GLN 106 HB3 GLN 106 11.414 -3.855 -12.429 841 HG2 GLN 106 HG2 GLN 106 11.176 -1.725 -13.550 842 HG3 GLN 106 HG3 GLN 106 11.004 -0.893 -12.015 843 HE21 GLN 106 HE21 GLN 106 13.149 -3.379 -11.631 844 HE22 GLN 106 HE22 GLN 106 14.631 -2.529 -11.883 845 H ILE 107 H ILE 107 8.541 -4.328 -9.886 846 HA ILE 107 HA ILE 107 8.672 -7.066 -10.797 847 HB ILE 107 HB ILE 107 7.779 -5.818 -8.180 848 HG12 ILE 107 HG12 ILE 107 10.197 -7.535 -8.821 849 HG13 ILE 107 HG13 ILE 107 10.219 -5.794 -8.727 850 HG21 ILE 107 HG21 ILE 107 7.981 -8.769 -8.787 851 HG22 ILE 107 HG22 ILE 107 6.485 -7.857 -8.587 852 HG23 ILE 107 HG23 ILE 107 7.592 -8.036 -7.228 853 HD11 ILE 107 HD11 ILE 107 9.526 -7.565 -6.406 854 HD12 ILE 107 HD12 ILE 107 9.802 -5.824 -6.379 855 HD13 ILE 107 HD13 ILE 107 11.136 -6.927 -6.725 856 H ILE 108 H ILE 108 6.034 -4.763 -9.989 857 HA ILE 108 HA ILE 108 3.928 -6.643 -10.250 858 HB ILE 108 HB ILE 108 3.831 -3.622 -10.487 859 HG12 ILE 108 HG12 ILE 108 2.740 -5.326 -8.275 860 HG13 ILE 108 HG13 ILE 108 4.425 -4.871 -8.289 861 HG21 ILE 108 HG21 ILE 108 1.940 -4.625 -11.711 862 HG22 ILE 108 HG22 ILE 108 1.390 -3.821 -10.240 863 HG23 ILE 108 HG23 ILE 108 1.528 -5.581 -10.285 864 HD11 ILE 108 HD11 ILE 108 3.011 -3.431 -6.877 865 HD12 ILE 108 HD12 ILE 108 2.162 -2.907 -8.331 866 HD13 ILE 108 HD13 ILE 108 3.879 -2.561 -8.138 867 H SER 109 H SER 109 5.405 -4.427 -12.563 868 HA SER 109 HA SER 109 3.619 -5.073 -14.653 869 HB2 SER 109 HB2 SER 109 5.071 -3.846 -16.151 870 HB3 SER 109 HB3 SER 109 4.790 -2.934 -14.658 871 HG SER 109 HG SER 109 6.858 -3.158 -14.144 872 H ARG 110 H ARG 110 6.333 -6.770 -13.440 873 HA ARG 110 HA ARG 110 6.723 -8.513 -15.668 874 HB2 ARG 110 HB2 ARG 110 8.297 -8.456 -13.762 875 HB3 ARG 110 HB3 ARG 110 7.046 -9.093 -12.709 876 HG2 ARG 110 HG2 ARG 110 8.592 -10.840 -13.324 877 HG3 ARG 110 HG3 ARG 110 7.011 -11.163 -14.028 878 HD2 ARG 110 HD2 ARG 110 7.795 -10.209 -16.160 879 HD3 ARG 110 HD3 ARG 110 9.386 -9.962 -15.445 880 HE ARG 110 HE ARG 110 8.912 -12.614 -15.079 881 HH11 ARG 110 HH11 ARG 110 8.903 -10.553 -17.926 882 HH12 ARG 110 HH12 ARG 110 9.384 -11.830 -18.992 883 HH21 ARG 110 HH21 ARG 110 9.539 -14.268 -16.494 884 HH22 ARG 110 HH22 ARG 110 9.744 -13.931 -18.181 885 H TYR 111 H TYR 111 4.430 -8.345 -13.025 886 HA TYR 111 HA TYR 111 3.022 -10.759 -13.856 887 HB2 TYR 111 HB2 TYR 111 2.355 -8.831 -11.632 888 HB3 TYR 111 HB3 TYR 111 1.649 -10.419 -11.894 889 HD1 TYR 111 HD1 TYR 111 4.385 -8.603 -10.430 890 HD2 TYR 111 HD2 TYR 111 3.150 -12.466 -11.728 891 HE1 TYR 111 HE1 TYR 111 6.195 -9.621 -9.120 892 HE2 TYR 111 HE2 TYR 111 4.960 -13.488 -10.420 893 HH TYR 111 HH TYR 111 7.142 -12.852 -9.500 894 H LYS 112 H LYS 112 3.017 -7.547 -14.804 895 HA LYS 112 HA LYS 112 0.210 -7.324 -15.490 896 HB2 LYS 112 HB2 LYS 112 2.624 -5.642 -16.045 897 HB3 LYS 112 HB3 LYS 112 1.127 -5.328 -16.870 898 HG2 LYS 112 HG2 LYS 112 -0.001 -4.984 -14.712 899 HG3 LYS 112 HG3 LYS 112 1.527 -5.264 -13.897 900 HD2 LYS 112 HD2 LYS 112 2.485 -3.306 -14.984 901 HD3 LYS 112 HD3 LYS 112 0.963 -3.018 -15.826 902 HE2 LYS 112 HE2 LYS 112 -0.151 -2.730 -13.634 903 HE3 LYS 112 HE3 LYS 112 1.407 -2.945 -12.841 904 HZ1 LYS 112 HZ1 LYS 112 0.830 -0.608 -13.082 905 HZ2 LYS 112 HZ2 LYS 112 0.739 -0.780 -14.761 906 HZ3 LYS 112 HZ3 LYS 112 2.222 -0.979 -13.970 907 H ASP 113 H ASP 113 3.228 -8.184 -17.041 908 HA ASP 113 HA ASP 113 2.057 -8.567 -19.655 909 HB2 ASP 113 HB2 ASP 113 4.812 -8.970 -18.497 910 HB3 ASP 113 HB3 ASP 113 4.409 -9.408 -20.144 911 H ALA 114 H ALA 114 3.187 -10.522 -16.935 912 HA ALA 114 HA ALA 114 3.090 -12.714 -16.405 913 HB1 ALA 114 HB1 ALA 114 0.537 -12.659 -18.010 914 HB2 ALA 114 HB2 ALA 114 0.705 -12.126 -16.337 915 HB3 ALA 114 HB3 ALA 114 0.966 -13.821 -16.752 916 H ASP 115 H ASP 115 4.933 -13.315 -17.505 917 HA ASP 115 HA ASP 115 6.306 -14.277 -19.038 918 HB2 ASP 115 HB2 ASP 115 5.102 -16.090 -17.733 919 HB3 ASP 115 HB3 ASP 115 4.106 -16.323 -19.153 920 H1 GLY 519 H1 GLY 519 -13.701 7.380 -13.794 921 H2 GLY 519 H2 GLY 519 -13.464 8.715 -14.805 922 H3 GLY 519 H3 GLY 519 -12.260 7.535 -14.667 923 HA2 GLY 519 HA2 GLY 519 -13.442 7.281 -16.750 924 HA3 GLY 519 HA3 GLY 519 -13.688 5.893 -15.700 925 H SER 520 H SER 520 -15.704 5.398 -14.986 926 HA SER 520 HA SER 520 -17.910 6.969 -16.111 927 HB2 SER 520 HB2 SER 520 -17.911 4.649 -16.808 928 HB3 SER 520 HB3 SER 520 -17.808 4.105 -15.134 929 HG SER 520 HG SER 520 -19.960 5.665 -16.109 930 HA PRO 521 HA PRO 521 -18.516 8.474 -11.807 931 HB2 PRO 521 HB2 PRO 521 -20.841 9.747 -13.176 932 HB3 PRO 521 HB3 PRO 521 -19.659 10.466 -12.086 933 HG2 PRO 521 HG2 PRO 521 -19.453 10.928 -14.598 934 HG3 PRO 521 HG3 PRO 521 -18.094 10.578 -13.763 935 HD2 PRO 521 HD2 PRO 521 -19.575 8.816 -15.500 936 HD3 PRO 521 HD3 PRO 521 -17.955 9.013 -15.441 937 H GLY 522 H GLY 522 -19.779 7.769 -10.168 938 HA2 GLY 522 HA2 GLY 522 -22.132 7.176 -9.504 939 HA3 GLY 522 HA3 GLY 522 -22.094 6.069 -10.868 940 H TYR 523 H TYR 523 -20.603 6.793 -7.748 941 HA TYR 523 HA TYR 523 -19.834 3.958 -7.501 942 HB2 TYR 523 HB2 TYR 523 -18.577 6.387 -6.202 943 HB3 TYR 523 HB3 TYR 523 -18.114 4.723 -5.871 944 HD1 TYR 523 HD1 TYR 523 -17.979 7.461 -8.313 945 HD2 TYR 523 HD2 TYR 523 -16.808 3.450 -7.485 946 HE1 TYR 523 HE1 TYR 523 -16.361 7.555 -10.162 947 HE2 TYR 523 HE2 TYR 523 -15.190 3.537 -9.335 948 HH TYR 523 HH TYR 523 -14.293 6.432 -10.861 949 HA PRO 524 HA PRO 524 -23.096 4.068 -4.259 950 HB2 PRO 524 HB2 PRO 524 -22.188 1.240 -3.991 951 HB3 PRO 524 HB3 PRO 524 -23.829 1.888 -4.102 952 HG2 PRO 524 HG2 PRO 524 -22.837 0.752 -6.196 953 HG3 PRO 524 HG3 PRO 524 -23.615 2.172 -6.406 954 HD2 PRO 524 HD2 PRO 524 -20.690 1.817 -6.238 955 HD3 PRO 524 HD3 PRO 524 -21.485 2.676 -7.377 956 H ASN 525 H ASN 525 -23.018 4.266 -2.064 957 HA ASN 525 HA ASN 525 -20.401 3.848 -0.773 958 HB2 ASN 525 HB2 ASN 525 -22.557 5.910 -0.277 959 HB3 ASN 525 HB3 ASN 525 -21.235 5.633 0.848 960 HD21 ASN 525 HD21 ASN 525 -22.257 7.522 -1.619 961 HD22 ASN 525 HD22 ASN 525 -20.737 8.104 -2.197 962 H GLY 526 H GLY 526 -20.265 2.653 1.045 963 HA2 GLY 526 HA2 GLY 526 -22.760 1.718 2.313 964 HA3 GLY 526 HA3 GLY 526 -21.505 0.577 1.863 965 H LEU 527 H LEU 527 -19.223 1.752 2.647 966 HA LEU 527 HA LEU 527 -19.549 2.044 5.545 967 HB2 LEU 527 HB2 LEU 527 -17.147 1.047 4.023 968 HB3 LEU 527 HB3 LEU 527 -17.204 1.255 5.745 969 HG LEU 527 HG LEU 527 -18.756 -0.783 4.139 970 HD11 LEU 527 HD11 LEU 527 -17.360 -2.457 5.208 971 HD12 LEU 527 HD12 LEU 527 -16.421 -1.178 5.977 972 HD13 LEU 527 HD13 LEU 527 -16.415 -1.341 4.224 973 HD21 LEU 527 HD21 LEU 527 -19.324 -1.741 6.367 974 HD22 LEU 527 HD22 LEU 527 -20.079 -0.187 6.010 975 HD23 LEU 527 HD23 LEU 527 -18.688 -0.261 7.092 976 H LEU 528 H LEU 528 -19.207 3.918 6.411 977 HA LEU 528 HA LEU 528 -17.373 5.809 5.115 978 HB2 LEU 528 HB2 LEU 528 -19.975 6.448 6.512 979 HB3 LEU 528 HB3 LEU 528 -18.832 7.650 5.956 980 HG LEU 528 HG LEU 528 -20.270 5.729 4.117 981 HD11 LEU 528 HD11 LEU 528 -21.671 7.642 3.478 982 HD12 LEU 528 HD12 LEU 528 -20.941 8.597 4.769 983 HD13 LEU 528 HD13 LEU 528 -21.913 7.178 5.162 984 HD21 LEU 528 HD21 LEU 528 -18.669 8.225 3.580 985 HD22 LEU 528 HD22 LEU 528 -19.541 7.284 2.370 986 HD23 LEU 528 HD23 LEU 528 -18.175 6.568 3.225 987 H SER 529 H SER 529 -18.469 4.282 7.944 988 HA SER 529 HA SER 529 -16.115 5.107 9.410 989 HB2 SER 529 HB2 SER 529 -17.791 6.837 10.040 990 HB3 SER 529 HB3 SER 529 -18.870 5.562 10.598 991 HG SER 529 HG SER 529 -16.301 5.541 11.642 992 H GLY 530 H GLY 530 -16.039 2.765 8.580 993 HA2 GLY 530 HA2 GLY 530 -17.529 0.912 10.310 994 HA3 GLY 530 HA3 GLY 530 -16.791 0.503 8.768 995 H ASP 531 H ASP 531 -14.618 -0.032 8.678 996 HA ASP 531 HA ASP 531 -13.162 -0.174 11.219 997 HB2 ASP 531 HB2 ASP 531 -13.472 -2.459 9.265 998 HB3 ASP 531 HB3 ASP 531 -12.375 -2.462 10.641 999 H GLU 532 H GLU 532 -13.159 0.344 7.879 1000 HA GLU 532 HA GLU 532 -10.248 0.366 7.655 1001 HB2 GLU 532 HB2 GLU 532 -12.444 0.548 5.614 1002 HB3 GLU 532 HB3 GLU 532 -10.747 0.668 5.240 1003 HG2 GLU 532 HG2 GLU 532 -10.396 -1.594 6.030 1004 HG3 GLU 532 HG3 GLU 532 -12.086 -1.708 6.500 1005 H ASP 533 H ASP 533 -12.110 2.395 8.926 1006 HA ASP 533 HA ASP 533 -12.115 4.757 7.359 1007 HB2 ASP 533 HB2 ASP 533 -13.033 5.834 9.334 1008 HB3 ASP 533 HB3 ASP 533 -13.775 4.254 9.124 1009 H PHE 534 H PHE 534 -9.431 3.348 8.470 1010 HA PHE 534 HA PHE 534 -8.158 5.790 9.439 1011 HB2 PHE 534 HB2 PHE 534 -7.731 3.846 10.823 1012 HB3 PHE 534 HB3 PHE 534 -7.153 2.943 9.428 1013 HD1 PHE 534 HD1 PHE 534 -6.368 5.648 11.794 1014 HD2 PHE 534 HD2 PHE 534 -4.926 3.226 8.601 1015 HE1 PHE 534 HE1 PHE 534 -4.072 6.401 12.261 1016 HE2 PHE 534 HE2 PHE 534 -2.630 3.978 9.064 1017 HZ PHE 534 HZ PHE 534 -2.200 5.566 10.896 1018 H SER 535 H SER 535 -7.805 3.388 6.910 1019 HA SER 535 HA SER 535 -5.918 5.126 5.514 1020 HB2 SER 535 HB2 SER 535 -5.367 3.226 4.130 1021 HB3 SER 535 HB3 SER 535 -5.272 2.742 5.816 1022 HG SER 535 HG SER 535 -6.758 1.312 5.427 1023 H SER 536 H SER 536 -9.193 4.574 5.625 1024 HA SER 536 HA SER 536 -9.723 5.098 2.819 1025 HB2 SER 536 HB2 SER 536 -11.602 4.830 5.156 1026 HB3 SER 536 HB3 SER 536 -12.085 5.062 3.486 1027 HG SER 536 HG SER 536 -10.853 2.829 4.665 1028 H ILE 537 H ILE 537 -9.693 6.782 5.886 1029 HA ILE 537 HA ILE 537 -10.572 9.281 4.711 1030 HB ILE 537 HB ILE 537 -9.605 8.599 7.499 1031 HG12 ILE 537 HG12 ILE 537 -12.356 9.450 6.554 1032 HG13 ILE 537 HG13 ILE 537 -11.874 7.786 6.839 1033 HG21 ILE 537 HG21 ILE 537 -10.573 11.292 6.532 1034 HG22 ILE 537 HG22 ILE 537 -8.941 10.894 7.068 1035 HG23 ILE 537 HG23 ILE 537 -10.279 10.853 8.217 1036 HD11 ILE 537 HD11 ILE 537 -11.373 8.522 9.233 1037 HD12 ILE 537 HD12 ILE 537 -13.071 8.418 8.751 1038 HD13 ILE 537 HD13 ILE 537 -12.269 9.989 8.836 1039 H ALA 538 H ALA 538 -7.601 7.662 5.530 1040 HA ALA 538 HA ALA 538 -6.006 9.945 4.765 1041 HB1 ALA 538 HB1 ALA 538 -5.353 8.324 6.577 1042 HB2 ALA 538 HB2 ALA 538 -4.112 8.674 5.378 1043 HB3 ALA 538 HB3 ALA 538 -5.015 7.162 5.296 1044 H ASP 539 H ASP 539 -7.860 7.988 3.112 1045 HA ASP 539 HA ASP 539 -6.184 7.600 0.756 1046 HB2 ASP 539 HB2 ASP 539 -7.882 5.887 1.374 1047 HB3 ASP 539 HB3 ASP 539 -9.148 7.089 1.159 1048 H MET 540 H MET 540 -8.725 9.669 2.015 1049 HA MET 540 HA MET 540 -9.013 11.324 -0.287 1050 HB2 MET 540 HB2 MET 540 -9.669 11.780 2.620 1051 HB3 MET 540 HB3 MET 540 -10.026 12.939 1.343 1052 HG2 MET 540 HG2 MET 540 -11.098 10.132 1.555 1053 HG3 MET 540 HG3 MET 540 -11.989 11.621 1.859 1054 HE1 MET 540 HE1 MET 540 -12.906 13.185 0.096 1055 HE2 MET 540 HE2 MET 540 -12.524 13.128 -1.627 1056 HE3 MET 540 HE3 MET 540 -11.276 13.569 -0.460 1057 H ASP 541 H ASP 541 -6.687 11.048 2.200 1058 HA ASP 541 HA ASP 541 -5.589 13.663 2.043 1059 HB2 ASP 541 HB2 ASP 541 -4.743 11.081 3.302 1060 HB3 ASP 541 HB3 ASP 541 -3.671 12.458 3.292 1061 H PHE 542 H PHE 542 -4.988 10.583 0.462 1062 HA PHE 542 HA PHE 542 -2.358 11.341 -0.469 1063 HB2 PHE 542 HB2 PHE 542 -3.657 8.917 0.063 1064 HB3 PHE 542 HB3 PHE 542 -3.362 8.912 -1.669 1065 HD1 PHE 542 HD1 PHE 542 -1.907 8.515 1.592 1066 HD2 PHE 542 HD2 PHE 542 -1.031 9.261 -2.506 1067 HE1 PHE 542 HE1 PHE 542 0.430 7.866 1.973 1068 HE2 PHE 542 HE2 PHE 542 1.306 8.619 -2.116 1069 HZ PHE 542 HZ PHE 542 2.031 7.908 0.110 1070 H SER 543 H SER 543 -5.586 11.332 -1.771 1071 HA SER 543 HA SER 543 -4.782 11.231 -4.534 1072 HB2 SER 543 HB2 SER 543 -7.157 11.534 -5.028 1073 HB3 SER 543 HB3 SER 543 -6.937 10.310 -3.783 1074 HG SER 543 HG SER 543 -7.230 12.336 -2.351 1075 H ALA 544 H ALA 544 -5.099 13.727 -2.204 1076 HA ALA 544 HA ALA 544 -5.348 15.848 -4.189 1077 HB1 ALA 544 HB1 ALA 544 -5.451 17.363 -2.289 1078 HB2 ALA 544 HB2 ALA 544 -5.061 16.038 -1.192 1079 HB3 ALA 544 HB3 ALA 544 -6.586 16.029 -2.078 1080 H LEU 545 H LEU 545 -2.857 14.076 -2.716 1081 HA LEU 545 HA LEU 545 -0.891 16.191 -2.680 1082 HB2 LEU 545 HB2 LEU 545 -0.672 13.241 -2.133 1083 HB3 LEU 545 HB3 LEU 545 0.621 14.386 -1.934 1084 HG LEU 545 HG LEU 545 -1.949 14.512 -0.381 1085 HD11 LEU 545 HD11 LEU 545 -0.674 12.447 0.085 1086 HD12 LEU 545 HD12 LEU 545 -0.770 13.532 1.463 1087 HD13 LEU 545 HD13 LEU 545 0.715 13.445 0.516 1088 HD21 LEU 545 HD21 LEU 545 -0.870 16.660 -0.437 1089 HD22 LEU 545 HD22 LEU 545 0.692 15.931 -0.067 1090 HD23 LEU 545 HD23 LEU 545 -0.585 15.939 1.149 1091 H LEU 546 H LEU 546 -1.735 13.449 -4.732 1092 HA LEU 546 HA LEU 546 0.712 13.612 -6.280 1093 HB2 LEU 546 HB2 LEU 546 -1.802 11.989 -6.667 1094 HB3 LEU 546 HB3 LEU 546 -0.395 11.868 -7.696 1095 HG LEU 546 HG LEU 546 -0.397 11.283 -4.741 1096 HD11 LEU 546 HD11 LEU 546 -1.802 9.681 -5.896 1097 HD12 LEU 546 HD12 LEU 546 -0.287 8.918 -5.415 1098 HD13 LEU 546 HD13 LEU 546 -0.538 9.400 -7.092 1099 HD21 LEU 546 HD21 LEU 546 1.646 10.752 -6.899 1100 HD22 LEU 546 HD22 LEU 546 1.767 10.199 -5.230 1101 HD23 LEU 546 HD23 LEU 546 1.792 11.924 -5.594 1102 H SER 547 H SER 547 -2.500 14.835 -6.426 1103 HA SER 547 HA SER 547 -2.146 15.868 -9.142 1104 HB2 SER 547 HB2 SER 547 -4.506 16.596 -8.960 1105 HB3 SER 547 HB3 SER 547 -4.323 14.872 -8.635 1106 HG SER 547 HG SER 547 -4.104 16.400 -6.384 1107 H GLN 548 H GLN 548 -2.937 17.134 -5.891 1108 HA GLN 548 HA GLN 548 -2.733 19.162 -4.908 1109 HB2 GLN 548 HB2 GLN 548 -0.164 18.828 -6.374 1110 HB3 GLN 548 HB3 GLN 548 -0.482 20.367 -5.596 1111 HG2 GLN 548 HG2 GLN 548 -0.808 19.204 -3.451 1112 HG3 GLN 548 HG3 GLN 548 -0.449 17.686 -4.255 1113 HE21 GLN 548 HE21 GLN 548 1.583 17.017 -4.324 1114 HE22 GLN 548 HE22 GLN 548 2.968 17.958 -3.902 1115 H ILE 549 H ILE 549 -4.467 20.292 -5.641 1116 HA ILE 549 HA ILE 549 -5.668 21.955 -6.608 1117 HB ILE 549 HB ILE 549 -3.028 23.276 -7.323 1118 HG12 ILE 549 HG12 ILE 549 -4.554 23.488 -4.705 1119 HG13 ILE 549 HG13 ILE 549 -3.093 22.533 -4.922 1120 HG21 ILE 549 HG21 ILE 549 -5.749 24.444 -6.684 1121 HG22 ILE 549 HG22 ILE 549 -5.023 24.336 -8.287 1122 HG23 ILE 549 HG23 ILE 549 -4.291 25.367 -7.058 1123 HD11 ILE 549 HD11 ILE 549 -2.613 24.652 -3.838 1124 HD12 ILE 549 HD12 ILE 549 -3.308 25.527 -5.201 1125 HD13 ILE 549 HD13 ILE 549 -1.840 24.576 -5.421 1126 H SER 550 H SER 550 -6.373 20.417 -8.196 1127 HA SER 550 HA SER 550 -6.977 19.740 -10.258 1128 HB2 SER 550 HB2 SER 550 -7.566 22.017 -10.726 1129 HB3 SER 550 HB3 SER 550 -5.888 22.449 -11.048 1130 HG SER 550 HG SER 550 -7.741 21.244 -12.679 1131 H SER 551 H SER 551 -3.950 21.433 -11.180 1132 HA SER 551 HA SER 551 -2.825 18.844 -11.998 1133 HB2 SER 551 HB2 SER 551 -3.720 19.952 -14.014 1134 HB3 SER 551 HB3 SER 551 -2.749 21.380 -13.664 1135 HG SER 551 HG SER 551 -1.245 19.119 -13.704 Start of MODEL 16 1 H2 PRO 1 H2 PRO 1 19.145 -3.736 -7.372 2 H3 PRO 1 H1 PRO 1 18.308 -3.064 -6.144 3 HA PRO 1 HA PRO 1 20.889 -2.717 -6.837 4 HB2 PRO 1 HB2 PRO 1 19.630 -0.005 -6.748 5 HB3 PRO 1 HB3 PRO 1 21.171 -0.516 -7.475 6 HG2 PRO 1 HG2 PRO 1 19.202 -0.211 -9.066 7 HG3 PRO 1 HG3 PRO 1 20.019 -1.620 -9.196 8 HD2 PRO 1 HD2 PRO 1 17.480 -1.312 -7.432 9 HD3 PRO 1 HD3 PRO 1 17.595 -2.429 -8.617 10 H SER 2 H SER 2 18.078 -1.501 -5.047 11 HA SER 2 HA SER 2 19.747 -1.425 -2.621 12 HB2 SER 2 HB2 SER 2 18.993 0.807 -3.071 13 HB3 SER 2 HB3 SER 2 17.338 0.259 -3.335 14 HG SER 2 HG SER 2 17.816 -0.578 -0.979 15 H HIS 3 H HIS 3 16.279 -1.753 -3.476 16 HA HIS 3 HA HIS 3 14.644 -3.207 -2.884 17 HB2 HIS 3 HB2 HIS 3 16.943 -4.962 -2.075 18 HB3 HIS 3 HB3 HIS 3 15.291 -5.483 -1.987 19 HD1 HIS 3 HD1 HIS 3 17.258 -6.991 -3.756 20 HD2 HIS 3 HD2 HIS 3 14.876 -3.867 -5.110 21 HE1 HIS 3 HE1 HIS 3 17.061 -7.324 -6.240 22 HE2 HIS 3 HE2 HIS 3 15.683 -5.376 -7.048 23 H SER 4 H SER 4 16.959 -2.369 -0.427 24 HA SER 4 HA SER 4 14.854 -2.562 1.602 25 HB2 SER 4 HB2 SER 4 16.271 -4.487 1.967 26 HB3 SER 4 HB3 SER 4 17.717 -3.485 1.910 27 HG SER 4 HG SER 4 16.427 -2.364 3.764 28 H GLY 5 H GLY 5 14.825 -1.027 3.168 29 HA2 GLY 5 HA2 GLY 5 16.959 0.940 3.357 30 HA3 GLY 5 HA3 GLY 5 15.404 1.540 2.804 31 H ALA 6 H ALA 6 14.206 2.405 4.336 32 HA ALA 6 HA ALA 6 13.911 1.043 6.902 33 HB1 ALA 6 HB1 ALA 6 14.637 3.968 6.711 34 HB2 ALA 6 HB2 ALA 6 15.662 2.671 7.335 35 HB3 ALA 6 HB3 ALA 6 14.180 3.105 8.184 36 H ALA 7 H ALA 7 11.799 0.979 7.480 37 HA ALA 7 HA ALA 7 9.945 3.016 6.492 38 HB1 ALA 7 HB1 ALA 7 9.647 0.083 5.920 39 HB2 ALA 7 HB2 ALA 7 9.882 1.374 4.745 40 HB3 ALA 7 HB3 ALA 7 8.383 1.277 5.670 41 H ILE 8 H ILE 8 7.920 3.084 7.574 42 HA ILE 8 HA ILE 8 7.782 1.615 10.134 43 HB ILE 8 HB ILE 8 6.561 4.314 9.465 44 HG12 ILE 8 HG12 ILE 8 8.765 3.759 11.450 45 HG13 ILE 8 HG13 ILE 8 9.081 4.230 9.796 46 HG21 ILE 8 HG21 ILE 8 5.169 3.063 11.044 47 HG22 ILE 8 HG22 ILE 8 5.928 4.447 11.829 48 HG23 ILE 8 HG23 ILE 8 6.566 2.825 12.096 49 HD11 ILE 8 HD11 ILE 8 9.236 6.085 11.410 50 HD12 ILE 8 HD12 ILE 8 7.522 5.874 11.772 51 HD13 ILE 8 HD13 ILE 8 8.030 6.359 10.155 52 H PHE 9 H PHE 9 5.906 0.544 10.645 53 HA PHE 9 HA PHE 9 3.601 0.684 8.857 54 HB2 PHE 9 HB2 PHE 9 5.121 -1.083 7.952 55 HB3 PHE 9 HB3 PHE 9 4.986 -1.946 9.472 56 HD1 PHE 9 HD1 PHE 9 3.149 -0.857 6.461 57 HD2 PHE 9 HD2 PHE 9 3.101 -3.324 9.932 58 HE1 PHE 9 HE1 PHE 9 1.185 -2.042 5.587 59 HE2 PHE 9 HE2 PHE 9 1.135 -4.516 9.060 60 HZ PHE 9 HZ PHE 9 0.172 -3.875 6.884 61 H GLU 10 H GLU 10 1.915 0.952 10.102 62 HA GLU 10 HA GLU 10 0.445 0.945 11.823 63 HB2 GLU 10 HB2 GLU 10 1.766 -1.675 12.526 64 HB3 GLU 10 HB3 GLU 10 0.287 -1.079 13.262 65 HG2 GLU 10 HG2 GLU 10 -0.816 -1.114 11.093 66 HG3 GLU 10 HG3 GLU 10 0.666 -1.701 10.341 67 H LYS 11 H LYS 11 2.669 2.487 12.150 68 HA LYS 11 HA LYS 11 3.517 3.953 13.650 69 HB2 LYS 11 HB2 LYS 11 1.846 2.511 15.683 70 HB3 LYS 11 HB3 LYS 11 2.747 3.988 15.988 71 HG2 LYS 11 HG2 LYS 11 1.441 5.101 14.196 72 HG3 LYS 11 HG3 LYS 11 0.477 3.631 14.038 73 HD2 LYS 11 HD2 LYS 11 0.782 5.147 16.628 74 HD3 LYS 11 HD3 LYS 11 -0.509 5.419 15.461 75 HE2 LYS 11 HE2 LYS 11 0.042 2.755 16.751 76 HE3 LYS 11 HE3 LYS 11 -1.135 3.918 17.357 77 HZ1 LYS 11 HZ1 LYS 11 -2.177 2.224 15.982 78 HZ2 LYS 11 HZ2 LYS 11 -1.193 2.644 14.673 79 HZ3 LYS 11 HZ3 LYS 11 -2.329 3.748 15.262 80 H VAL 12 H VAL 12 4.170 0.661 13.860 81 HA VAL 12 HA VAL 12 6.413 1.040 15.697 82 HB VAL 12 HB VAL 12 5.392 -1.479 14.348 83 HG11 VAL 12 HG11 VAL 12 7.729 -1.772 14.563 84 HG12 VAL 12 HG12 VAL 12 6.949 -2.698 15.843 85 HG13 VAL 12 HG13 VAL 12 7.712 -1.154 16.214 86 HG21 VAL 12 HG21 VAL 12 5.287 -0.665 17.252 87 HG22 VAL 12 HG22 VAL 12 4.786 -2.229 16.604 88 HG23 VAL 12 HG23 VAL 12 3.919 -0.765 16.137 89 H SER 13 H SER 13 8.363 1.579 14.997 90 HA SER 13 HA SER 13 8.798 1.874 12.163 91 HB2 SER 13 HB2 SER 13 9.496 3.713 13.553 92 HB3 SER 13 HB3 SER 13 10.490 2.647 14.545 93 HG SER 13 HG SER 13 10.946 3.588 11.937 94 H GLY 14 H GLY 14 10.221 0.861 10.887 95 HA2 GLY 14 HA2 GLY 14 11.947 -1.207 11.974 96 HA3 GLY 14 HA3 GLY 14 10.604 -1.773 11.005 97 H ILE 15 H ILE 15 12.147 -2.696 9.631 98 HA ILE 15 HA ILE 15 13.331 -0.797 7.716 99 HB ILE 15 HB ILE 15 14.522 -3.339 8.844 100 HG12 ILE 15 HG12 ILE 15 15.763 -0.581 8.712 101 HG13 ILE 15 HG13 ILE 15 14.894 -1.208 10.094 102 HG21 ILE 15 HG21 ILE 15 15.509 -1.853 6.419 103 HG22 ILE 15 HG22 ILE 15 14.932 -3.522 6.504 104 HG23 ILE 15 HG23 ILE 15 16.439 -3.066 7.301 105 HD11 ILE 15 HD11 ILE 15 17.517 -2.183 9.008 106 HD12 ILE 15 HD12 ILE 15 16.607 -3.010 10.274 107 HD13 ILE 15 HD13 ILE 15 17.213 -1.376 10.545 108 H ILE 16 H ILE 16 12.936 -1.236 5.581 109 HA ILE 16 HA ILE 16 11.127 -3.472 5.020 110 HB ILE 16 HB ILE 16 10.429 -1.074 4.561 111 HG12 ILE 16 HG12 ILE 16 10.122 -2.424 1.966 112 HG13 ILE 16 HG13 ILE 16 9.774 -3.438 3.355 113 HG21 ILE 16 HG21 ILE 16 11.187 0.204 2.799 114 HG22 ILE 16 HG22 ILE 16 11.910 -1.178 1.966 115 HG23 ILE 16 HG23 ILE 16 12.694 -0.503 3.402 116 HD11 ILE 16 HD11 ILE 16 7.726 -2.492 2.641 117 HD12 ILE 16 HD12 ILE 16 8.416 -0.872 2.573 118 HD13 ILE 16 HD13 ILE 16 8.176 -1.664 4.129 119 H ALA 17 H ALA 17 11.605 -5.057 3.602 120 HA ALA 17 HA ALA 17 13.992 -4.819 1.907 121 HB1 ALA 17 HB1 ALA 17 14.668 -6.025 3.944 122 HB2 ALA 17 HB2 ALA 17 14.758 -7.046 2.508 123 HB3 ALA 17 HB3 ALA 17 13.413 -7.226 3.634 124 H ILE 18 H ILE 18 13.810 -5.727 -0.092 125 HA ILE 18 HA ILE 18 11.223 -6.930 -0.782 126 HB ILE 18 HB ILE 18 13.401 -5.769 -2.529 127 HG12 ILE 18 HG12 ILE 18 10.522 -4.962 -2.186 128 HG13 ILE 18 HG13 ILE 18 11.849 -4.209 -1.324 129 HG21 ILE 18 HG21 ILE 18 10.850 -7.056 -3.479 130 HG22 ILE 18 HG22 ILE 18 12.464 -7.750 -3.625 131 HG23 ILE 18 HG23 ILE 18 12.068 -6.260 -4.480 132 HD11 ILE 18 HD11 ILE 18 11.162 -4.078 -4.234 133 HD12 ILE 18 HD12 ILE 18 12.778 -3.682 -3.649 134 HD13 ILE 18 HD13 ILE 18 11.386 -2.757 -3.081 135 H ASN 19 H ASN 19 10.996 -8.980 -1.259 136 HA ASN 19 HA ASN 19 13.292 -10.780 -1.325 137 HB2 ASN 19 HB2 ASN 19 10.322 -11.310 -0.982 138 HB3 ASN 19 HB3 ASN 19 11.563 -12.549 -0.998 139 HD21 ASN 19 HD21 ASN 19 9.942 -12.419 1.123 140 HD22 ASN 19 HD22 ASN 19 10.783 -11.816 2.507 141 H GLU 20 H GLU 20 14.088 -10.884 -3.340 142 HA GLU 20 HA GLU 20 12.296 -11.845 -5.468 143 HB2 GLU 20 HB2 GLU 20 14.772 -10.132 -5.773 144 HB3 GLU 20 HB3 GLU 20 13.934 -10.884 -7.114 145 HG2 GLU 20 HG2 GLU 20 11.930 -9.550 -6.534 146 HG3 GLU 20 HG3 GLU 20 12.858 -8.766 -5.266 147 H ASP 21 H ASP 21 13.664 -13.161 -7.166 148 HA ASP 21 HA ASP 21 14.799 -15.091 -7.638 149 HB2 ASP 21 HB2 ASP 21 16.351 -14.563 -5.089 150 HB3 ASP 21 HB3 ASP 21 16.735 -15.805 -6.265 151 H VAL 22 H VAL 22 12.733 -14.591 -5.262 152 HA VAL 22 HA VAL 22 12.611 -17.329 -4.236 153 HB VAL 22 HB VAL 22 10.985 -16.404 -2.572 154 HG11 VAL 22 HG11 VAL 22 13.709 -15.112 -2.684 155 HG12 VAL 22 HG12 VAL 22 13.293 -16.662 -1.950 156 HG13 VAL 22 HG13 VAL 22 12.679 -15.164 -1.251 157 HG21 VAL 22 HG21 VAL 22 10.169 -14.440 -3.834 158 HG22 VAL 22 HG22 VAL 22 11.756 -13.688 -3.678 159 HG23 VAL 22 HG23 VAL 22 10.775 -13.982 -2.243 160 H SER 23 H SER 23 10.007 -17.754 -3.702 161 HA SER 23 HA SER 23 8.656 -17.950 -6.243 162 HB2 SER 23 HB2 SER 23 6.854 -18.970 -4.956 163 HB3 SER 23 HB3 SER 23 8.382 -19.577 -4.328 164 HG SER 23 HG SER 23 7.978 -18.664 -2.481 165 HA PRO 24 HA PRO 24 7.063 -14.571 -7.482 166 HB2 PRO 24 HB2 PRO 24 4.505 -14.189 -5.966 167 HB3 PRO 24 HB3 PRO 24 4.822 -13.981 -7.692 168 HG2 PRO 24 HG2 PRO 24 3.672 -16.154 -6.851 169 HG3 PRO 24 HG3 PRO 24 4.804 -16.256 -8.024 170 HD2 PRO 24 HD2 PRO 24 5.044 -17.035 -5.292 171 HD3 PRO 24 HD3 PRO 24 5.776 -17.699 -6.592 172 H ALA 25 H ALA 25 7.900 -12.642 -7.173 173 HA ALA 25 HA ALA 25 9.228 -12.120 -4.829 174 HB1 ALA 25 HB1 ALA 25 8.646 -10.174 -7.047 175 HB2 ALA 25 HB2 ALA 25 9.999 -11.303 -6.977 176 HB3 ALA 25 HB3 ALA 25 9.889 -9.985 -5.811 177 H GLU 26 H GLU 26 9.150 -10.732 -3.225 178 HA GLU 26 HA GLU 26 6.487 -9.711 -2.617 179 HB2 GLU 26 HB2 GLU 26 8.114 -10.891 -0.429 180 HB3 GLU 26 HB3 GLU 26 6.394 -10.827 -0.606 181 HG2 GLU 26 HG2 GLU 26 6.389 -12.677 -2.119 182 HG3 GLU 26 HG3 GLU 26 8.143 -12.658 -2.212 183 H LEU 27 H LEU 27 6.504 -8.334 -0.598 184 HA LEU 27 HA LEU 27 8.967 -6.760 -0.284 185 HB2 LEU 27 HB2 LEU 27 7.407 -5.501 -1.626 186 HB3 LEU 27 HB3 LEU 27 6.128 -5.773 -0.508 187 HG LEU 27 HG LEU 27 7.449 -4.336 1.116 188 HD11 LEU 27 HD11 LEU 27 9.009 -2.739 0.261 189 HD12 LEU 27 HD12 LEU 27 8.902 -3.460 -1.345 190 HD13 LEU 27 HD13 LEU 27 9.594 -4.379 -0.010 191 HD21 LEU 27 HD21 LEU 27 6.694 -2.199 0.080 192 HD22 LEU 27 HD22 LEU 27 5.467 -3.454 0.197 193 HD23 LEU 27 HD23 LEU 27 6.249 -3.136 -1.349 194 H THR 28 H THR 28 9.721 -7.195 1.673 195 HA THR 28 HA THR 28 7.819 -7.985 3.769 196 HB THR 28 HB THR 28 10.749 -8.698 3.477 197 HG1 THR 28 HG1 THR 28 9.844 -10.165 2.229 198 HG21 THR 28 HG21 THR 28 8.739 -9.536 5.585 199 HG22 THR 28 HG22 THR 28 10.197 -8.563 5.850 200 HG23 THR 28 HG23 THR 28 10.336 -10.257 5.370 201 H TRP 29 H TRP 29 7.358 -6.289 5.030 202 HA TRP 29 HA TRP 29 9.452 -4.531 5.983 203 HB2 TRP 29 HB2 TRP 29 7.279 -3.496 5.676 204 HB3 TRP 29 HB3 TRP 29 6.515 -4.703 6.694 205 HD1 TRP 29 HD1 TRP 29 8.527 -1.482 6.886 206 HE1 TRP 29 HE1 TRP 29 8.589 -0.641 9.320 207 HE3 TRP 29 HE3 TRP 29 6.392 -5.514 9.195 208 HZ2 TRP 29 HZ2 TRP 29 7.819 -1.562 11.877 209 HZ3 TRP 29 HZ3 TRP 29 6.094 -5.449 11.630 210 HH2 TRP 29 HH2 TRP 29 6.796 -3.516 12.944 211 H ARG 30 H ARG 30 10.448 -4.643 7.877 212 HA ARG 30 HA ARG 30 9.712 -6.730 9.794 213 HB2 ARG 30 HB2 ARG 30 12.400 -5.956 8.727 214 HB3 ARG 30 HB3 ARG 30 12.189 -7.044 10.083 215 HG2 ARG 30 HG2 ARG 30 10.944 -8.537 8.561 216 HG3 ARG 30 HG3 ARG 30 11.355 -7.460 7.229 217 HD2 ARG 30 HD2 ARG 30 13.411 -8.754 9.012 218 HD3 ARG 30 HD3 ARG 30 12.852 -9.454 7.492 219 HE ARG 30 HE ARG 30 13.647 -6.896 6.872 220 HH11 ARG 30 HH11 ARG 30 15.229 -9.723 8.239 221 HH12 ARG 30 HH12 ARG 30 16.782 -9.302 7.598 222 HH21 ARG 30 HH21 ARG 30 15.687 -6.371 6.043 223 HH22 ARG 30 HH22 ARG 30 17.041 -7.405 6.357 224 H SER 31 H SER 31 10.510 -6.264 11.982 225 HA SER 31 HA SER 31 10.260 -3.465 12.638 226 HB2 SER 31 HB2 SER 31 10.308 -4.187 14.966 227 HB3 SER 31 HB3 SER 31 9.269 -5.266 14.042 228 HG SER 31 HG SER 31 10.639 -6.412 15.449 229 H THR 32 H THR 32 11.933 -2.393 14.152 230 HA THR 32 HA THR 32 14.367 -2.168 12.812 231 HB THR 32 HB THR 32 13.803 -1.423 15.683 232 HG1 THR 32 HG1 THR 32 13.530 0.679 14.709 233 HG21 THR 32 HG21 THR 32 16.022 -0.439 13.880 234 HG22 THR 32 HG22 THR 32 16.230 -1.616 15.178 235 HG23 THR 32 HG23 THR 32 15.729 0.033 15.555 236 H ASP 33 H ASP 33 13.556 -4.273 15.519 237 HA ASP 33 HA ASP 33 16.221 -5.492 15.429 238 HB2 ASP 33 HB2 ASP 33 13.855 -6.064 17.234 239 HB3 ASP 33 HB3 ASP 33 15.420 -6.865 17.337 240 H GLY 34 H GLY 34 12.884 -6.078 14.587 241 HA2 GLY 34 HA2 GLY 34 12.329 -7.331 12.644 242 HA3 GLY 34 HA3 GLY 34 13.693 -8.387 12.944 243 H ASP 35 H ASP 35 11.780 -7.590 15.698 244 HA ASP 35 HA ASP 35 10.847 -10.239 16.093 245 HB2 ASP 35 HB2 ASP 35 9.800 -9.374 18.072 246 HB3 ASP 35 HB3 ASP 35 11.347 -8.570 17.892 247 H LYS 36 H LYS 36 9.538 -7.430 14.534 248 HA LYS 36 HA LYS 36 6.999 -8.841 14.021 249 HB2 LYS 36 HB2 LYS 36 7.656 -5.883 13.958 250 HB3 LYS 36 HB3 LYS 36 6.140 -6.561 13.399 251 HG2 LYS 36 HG2 LYS 36 5.711 -7.403 15.665 252 HG3 LYS 36 HG3 LYS 36 7.224 -6.662 16.200 253 HD2 LYS 36 HD2 LYS 36 6.090 -4.569 14.963 254 HD3 LYS 36 HD3 LYS 36 4.642 -5.420 15.506 255 HE2 LYS 36 HE2 LYS 36 5.574 -3.683 17.080 256 HE3 LYS 36 HE3 LYS 36 5.269 -5.275 17.766 257 HZ1 LYS 36 HZ1 LYS 36 7.917 -4.231 16.909 258 HZ2 LYS 36 HZ2 LYS 36 7.633 -5.777 17.533 259 HZ3 LYS 36 HZ3 LYS 36 7.391 -4.417 18.508 260 H VAL 37 H VAL 37 6.360 -9.150 11.883 261 HA VAL 37 HA VAL 37 8.030 -8.131 9.718 262 HB VAL 37 HB VAL 37 7.822 -11.107 10.270 263 HG11 VAL 37 HG11 VAL 37 9.180 -9.731 7.959 264 HG12 VAL 37 HG12 VAL 37 7.750 -10.761 7.883 265 HG13 VAL 37 HG13 VAL 37 9.306 -11.447 8.347 266 HG21 VAL 37 HG21 VAL 37 10.147 -11.116 10.723 267 HG22 VAL 37 HG22 VAL 37 9.423 -9.832 11.692 268 HG23 VAL 37 HG23 VAL 37 10.316 -9.433 10.226 269 H HIS 38 H HIS 38 6.815 -7.674 7.996 270 HA HIS 38 HA HIS 38 4.266 -9.094 7.545 271 HB2 HIS 38 HB2 HIS 38 4.841 -6.134 7.227 272 HB3 HIS 38 HB3 HIS 38 3.388 -6.917 6.625 273 HD1 HIS 38 HD1 HIS 38 1.550 -7.459 8.317 274 HD2 HIS 38 HD2 HIS 38 4.966 -5.849 10.047 275 HE1 HIS 38 HE1 HIS 38 0.910 -6.917 10.688 276 HE2 HIS 38 HE2 HIS 38 3.023 -6.037 11.743 277 H THR 39 H THR 39 3.731 -9.501 5.339 278 HA THR 39 HA THR 39 5.915 -9.012 3.424 279 HB THR 39 HB THR 39 4.514 -11.655 3.881 280 HG1 THR 39 HG1 THR 39 6.130 -11.622 5.306 281 HG21 THR 39 HG21 THR 39 4.913 -11.357 1.487 282 HG22 THR 39 HG22 THR 39 6.023 -12.558 2.149 283 HG23 THR 39 HG23 THR 39 6.593 -10.924 1.808 284 H VAL 40 H VAL 40 5.324 -8.172 1.565 285 HA VAL 40 HA VAL 40 2.524 -8.382 0.645 286 HB VAL 40 HB VAL 40 4.619 -6.276 0.056 287 HG11 VAL 40 HG11 VAL 40 3.070 -4.996 -1.150 288 HG12 VAL 40 HG12 VAL 40 1.713 -5.961 -0.583 289 HG13 VAL 40 HG13 VAL 40 2.835 -6.639 -1.762 290 HG21 VAL 40 HG21 VAL 40 3.236 -4.767 1.382 291 HG22 VAL 40 HG22 VAL 40 3.910 -6.102 2.318 292 HG23 VAL 40 HG23 VAL 40 2.215 -6.134 1.829 293 H VAL 41 H VAL 41 2.453 -10.068 -0.827 294 HA VAL 41 HA VAL 41 4.630 -10.585 -2.657 295 HB VAL 41 HB VAL 41 1.845 -11.833 -2.560 296 HG11 VAL 41 HG11 VAL 41 4.339 -12.729 -4.029 297 HG12 VAL 41 HG12 VAL 41 2.858 -12.117 -4.763 298 HG13 VAL 41 HG13 VAL 41 2.844 -13.655 -3.900 299 HG21 VAL 41 HG21 VAL 41 3.099 -12.280 -0.520 300 HG22 VAL 41 HG22 VAL 41 4.493 -12.812 -1.466 301 HG23 VAL 41 HG23 VAL 41 2.995 -13.747 -1.495 302 H LEU 42 H LEU 42 4.839 -9.594 -4.615 303 HA LEU 42 HA LEU 42 3.022 -7.484 -5.210 304 HB2 LEU 42 HB2 LEU 42 5.524 -8.410 -6.590 305 HB3 LEU 42 HB3 LEU 42 4.520 -7.170 -7.287 306 HG LEU 42 HG LEU 42 6.180 -5.945 -6.237 307 HD11 LEU 42 HD11 LEU 42 3.840 -5.325 -5.501 308 HD12 LEU 42 HD12 LEU 42 5.177 -4.708 -4.538 309 HD13 LEU 42 HD13 LEU 42 4.248 -6.084 -3.961 310 HD21 LEU 42 HD21 LEU 42 7.254 -7.804 -5.069 311 HD22 LEU 42 HD22 LEU 42 6.006 -7.729 -3.823 312 HD23 LEU 42 HD23 LEU 42 7.111 -6.372 -4.046 313 H SER 43 H SER 43 3.350 -10.709 -6.514 314 HA SER 43 HA SER 43 1.884 -10.298 -8.924 315 HB2 SER 43 HB2 SER 43 1.579 -12.738 -8.939 316 HB3 SER 43 HB3 SER 43 3.243 -12.322 -8.536 317 HG SER 43 HG SER 43 2.942 -13.023 -6.528 318 H THR 44 H THR 44 0.961 -9.861 -5.808 319 HA THR 44 HA THR 44 -1.895 -10.331 -6.367 320 HB THR 44 HB THR 44 -2.306 -10.519 -4.007 321 HG1 THR 44 HG1 THR 44 -0.242 -10.476 -2.631 322 HG21 THR 44 HG21 THR 44 0.184 -12.083 -4.660 323 HG22 THR 44 HG22 THR 44 -1.472 -12.571 -5.034 324 HG23 THR 44 HG23 THR 44 -0.944 -12.452 -3.355 325 H ILE 45 H ILE 45 0.313 -8.018 -6.550 326 HA ILE 45 HA ILE 45 -1.330 -5.829 -5.437 327 HB ILE 45 HB ILE 45 1.646 -5.935 -6.010 328 HG12 ILE 45 HG12 ILE 45 1.101 -7.165 -3.987 329 HG13 ILE 45 HG13 ILE 45 1.933 -5.682 -3.560 330 HG21 ILE 45 HG21 ILE 45 0.212 -3.613 -4.738 331 HG22 ILE 45 HG22 ILE 45 0.654 -3.683 -6.443 332 HG23 ILE 45 HG23 ILE 45 1.913 -3.714 -5.209 333 HD11 ILE 45 HD11 ILE 45 0.067 -6.291 -2.039 334 HD12 ILE 45 HD12 ILE 45 -1.051 -6.061 -3.372 335 HD13 ILE 45 HD13 ILE 45 -0.113 -4.695 -2.768 336 H ASP 46 H ASP 46 -1.835 -4.080 -6.736 337 HA ASP 46 HA ASP 46 -1.398 -4.472 -9.624 338 HB2 ASP 46 HB2 ASP 46 -3.742 -4.730 -8.861 339 HB3 ASP 46 HB3 ASP 46 -3.718 -3.095 -8.240 340 H LYS 47 H LYS 47 -1.616 -1.992 -7.065 341 HA LYS 47 HA LYS 47 -0.073 -0.180 -8.781 342 HB2 LYS 47 HB2 LYS 47 -2.618 0.384 -7.303 343 HB3 LYS 47 HB3 LYS 47 -1.488 1.678 -7.622 344 HG2 LYS 47 HG2 LYS 47 -2.122 1.840 -9.752 345 HG3 LYS 47 HG3 LYS 47 -2.083 0.098 -9.959 346 HD2 LYS 47 HD2 LYS 47 -4.280 -0.089 -8.881 347 HD3 LYS 47 HD3 LYS 47 -4.323 1.662 -8.699 348 HE2 LYS 47 HE2 LYS 47 -4.331 1.963 -11.085 349 HE3 LYS 47 HE3 LYS 47 -4.157 0.226 -11.344 350 HZ1 LYS 47 HZ1 LYS 47 -6.482 1.554 -10.046 351 HZ2 LYS 47 HZ2 LYS 47 -6.329 -0.106 -10.344 352 HZ3 LYS 47 HZ3 LYS 47 -6.451 0.976 -11.637 353 H LEU 48 H LEU 48 0.785 1.754 -7.536 354 HA LEU 48 HA LEU 48 1.309 1.373 -4.688 355 HB2 LEU 48 HB2 LEU 48 3.792 1.989 -6.172 356 HB3 LEU 48 HB3 LEU 48 3.566 0.992 -4.760 357 HG LEU 48 HG LEU 48 2.787 -0.848 -6.205 358 HD11 LEU 48 HD11 LEU 48 2.705 1.203 -8.187 359 HD12 LEU 48 HD12 LEU 48 2.208 -0.481 -8.316 360 HD13 LEU 48 HD13 LEU 48 3.878 -0.023 -8.674 361 HD21 LEU 48 HD21 LEU 48 4.962 -1.383 -7.074 362 HD22 LEU 48 HD22 LEU 48 5.095 -0.668 -5.468 363 HD23 LEU 48 HD23 LEU 48 5.466 0.295 -6.906 364 H GLN 49 H GLN 49 1.439 3.380 -3.686 365 HA GLN 49 HA GLN 49 1.890 5.751 -5.373 366 HB2 GLN 49 HB2 GLN 49 -0.592 5.353 -5.082 367 HB3 GLN 49 HB3 GLN 49 -0.362 5.566 -3.358 368 HG2 GLN 49 HG2 GLN 49 0.395 7.853 -3.718 369 HG3 GLN 49 HG3 GLN 49 0.192 7.668 -5.457 370 HE21 GLN 49 HE21 GLN 49 -1.380 9.131 -5.821 371 HE22 GLN 49 HE22 GLN 49 -2.952 9.086 -5.109 372 H ALA 50 H ALA 50 3.449 6.998 -4.529 373 HA ALA 50 HA ALA 50 3.980 6.841 -1.631 374 HB1 ALA 50 HB1 ALA 50 6.307 7.393 -2.160 375 HB2 ALA 50 HB2 ALA 50 5.893 7.439 -3.877 376 HB3 ALA 50 HB3 ALA 50 5.773 5.925 -2.977 377 H THR 51 H THR 51 4.444 8.702 -0.443 378 HA THR 51 HA THR 51 3.123 11.105 -1.109 379 HB THR 51 HB THR 51 4.325 12.103 0.854 380 HG1 THR 51 HG1 THR 51 6.190 11.074 1.164 381 HG21 THR 51 HG21 THR 51 3.338 10.455 2.534 382 HG22 THR 51 HG22 THR 51 2.862 9.475 1.149 383 HG23 THR 51 HG23 THR 51 2.225 11.111 1.336 384 HA PRO 52 HA PRO 52 6.266 13.053 -3.827 385 HB2 PRO 52 HB2 PRO 52 4.733 15.487 -3.103 386 HB3 PRO 52 HB3 PRO 52 5.198 14.887 -4.694 387 HG2 PRO 52 HG2 PRO 52 2.734 14.672 -3.819 388 HG3 PRO 52 HG3 PRO 52 3.389 13.517 -4.769 389 HD2 PRO 52 HD2 PRO 52 2.877 13.363 -1.935 390 HD3 PRO 52 HD3 PRO 52 2.858 12.135 -3.011 391 H ALA 53 H ALA 53 7.842 14.786 -3.637 392 HA ALA 53 HA ALA 53 8.944 15.052 -1.007 393 HB1 ALA 53 HB1 ALA 53 10.736 16.288 -2.100 394 HB2 ALA 53 HB2 ALA 53 9.788 16.370 -3.586 395 HB3 ALA 53 HB3 ALA 53 10.360 14.812 -2.989 396 H SER 54 H SER 54 6.610 16.805 -2.697 397 HA SER 54 HA SER 54 7.007 19.254 -1.156 398 HB2 SER 54 HB2 SER 54 5.252 20.210 -2.531 399 HB3 SER 54 HB3 SER 54 6.452 19.429 -3.545 400 HG SER 54 HG SER 54 3.806 18.845 -3.218 401 H SER 55 H SER 55 5.447 16.293 -0.887 402 HA SER 55 HA SER 55 3.112 17.122 0.548 403 HB2 SER 55 HB2 SER 55 2.978 15.110 -0.698 404 HB3 SER 55 HB3 SER 55 4.376 14.425 0.127 405 HG SER 55 HG SER 55 3.045 13.734 1.577 406 H GLU 56 H GLU 56 2.757 17.286 2.652 407 HA GLU 56 HA GLU 56 4.751 17.561 4.600 408 HB2 GLU 56 HB2 GLU 56 1.909 16.821 5.144 409 HB3 GLU 56 HB3 GLU 56 2.986 17.745 6.175 410 HG2 GLU 56 HG2 GLU 56 1.463 19.265 5.224 411 HG3 GLU 56 HG3 GLU 56 2.990 19.499 4.406 412 H LYS 57 H LYS 57 3.073 14.838 3.424 413 HA LYS 57 HA LYS 57 3.491 13.115 5.689 414 HB2 LYS 57 HB2 LYS 57 2.233 12.795 2.986 415 HB3 LYS 57 HB3 LYS 57 2.374 11.482 4.113 416 HG2 LYS 57 HG2 LYS 57 1.089 12.907 5.728 417 HG3 LYS 57 HG3 LYS 57 0.779 13.989 4.393 418 HD2 LYS 57 HD2 LYS 57 -0.653 12.540 3.373 419 HD3 LYS 57 HD3 LYS 57 0.128 11.113 4.064 420 HE2 LYS 57 HE2 LYS 57 -2.010 11.407 5.134 421 HE3 LYS 57 HE3 LYS 57 -0.710 11.787 6.275 422 HZ1 LYS 57 HZ1 LYS 57 -2.510 13.406 6.389 423 HZ2 LYS 57 HZ2 LYS 57 -2.287 13.797 4.759 424 HZ3 LYS 57 HZ3 LYS 57 -1.067 14.130 5.882 425 H MET 58 H MET 58 4.931 11.481 5.863 426 HA MET 58 HA MET 58 6.572 10.811 3.504 427 HB2 MET 58 HB2 MET 58 7.242 10.514 6.441 428 HB3 MET 58 HB3 MET 58 8.248 9.938 5.137 429 HG2 MET 58 HG2 MET 58 7.550 12.808 5.736 430 HG3 MET 58 HG3 MET 58 9.101 12.025 6.018 431 HE1 MET 58 HE1 MET 58 10.627 11.650 2.506 432 HE2 MET 58 HE2 MET 58 9.836 10.420 3.490 433 HE3 MET 58 HE3 MET 58 10.898 11.608 4.249 434 H MET 59 H MET 59 5.366 9.202 2.612 435 HA MET 59 HA MET 59 5.030 6.713 4.033 436 HB2 MET 59 HB2 MET 59 2.654 8.232 2.994 437 HB3 MET 59 HB3 MET 59 2.598 6.611 3.639 438 HG2 MET 59 HG2 MET 59 3.168 7.435 5.842 439 HG3 MET 59 HG3 MET 59 3.460 9.035 5.193 440 HE1 MET 59 HE1 MET 59 0.278 9.859 7.267 441 HE2 MET 59 HE2 MET 59 2.047 9.773 7.291 442 HE3 MET 59 HE3 MET 59 1.082 8.374 7.782 443 H LEU 60 H LEU 60 4.416 4.955 2.742 444 HA LEU 60 HA LEU 60 4.417 5.353 -0.166 445 HB2 LEU 60 HB2 LEU 60 6.630 4.632 0.274 446 HB3 LEU 60 HB3 LEU 60 6.098 3.461 1.457 447 HG LEU 60 HG LEU 60 4.982 2.265 -0.553 448 HD11 LEU 60 HD11 LEU 60 5.866 2.653 -2.680 449 HD12 LEU 60 HD12 LEU 60 7.079 3.781 -2.060 450 HD13 LEU 60 HD13 LEU 60 5.371 4.224 -2.051 451 HD21 LEU 60 HD21 LEU 60 6.890 1.306 0.596 452 HD22 LEU 60 HD22 LEU 60 7.984 2.355 -0.316 453 HD23 LEU 60 HD23 LEU 60 7.046 1.106 -1.153 454 H ARG 61 H ARG 61 2.615 4.505 -0.999 455 HA ARG 61 HA ARG 61 1.119 2.564 0.605 456 HB2 ARG 61 HB2 ARG 61 0.252 4.470 -1.555 457 HB3 ARG 61 HB3 ARG 61 -0.793 3.208 -0.949 458 HG2 ARG 61 HG2 ARG 61 -0.471 4.196 1.347 459 HG3 ARG 61 HG3 ARG 61 0.297 5.561 0.546 460 HD2 ARG 61 HD2 ARG 61 -1.682 6.203 -0.518 461 HD3 ARG 61 HD3 ARG 61 -2.424 4.625 -0.281 462 HE ARG 61 HE ARG 61 -2.321 6.817 1.618 463 HH11 ARG 61 HH11 ARG 61 -3.155 3.450 1.096 464 HH12 ARG 61 HH12 ARG 61 -4.038 3.321 2.579 465 HH21 ARG 61 HH21 ARG 61 -3.482 6.624 3.553 466 HH22 ARG 61 HH22 ARG 61 -4.224 5.115 3.967 467 H LEU 62 H LEU 62 0.309 0.691 -0.207 468 HA LEU 62 HA LEU 62 1.240 -0.209 -2.853 469 HB2 LEU 62 HB2 LEU 62 1.522 -1.467 -0.165 470 HB3 LEU 62 HB3 LEU 62 1.199 -2.519 -1.522 471 HG LEU 62 HG LEU 62 3.552 -2.530 -1.042 472 HD11 LEU 62 HD11 LEU 62 2.900 -2.703 -3.359 473 HD12 LEU 62 HD12 LEU 62 4.461 -1.900 -3.193 474 HD13 LEU 62 HD13 LEU 62 3.013 -0.952 -3.536 475 HD21 LEU 62 HD21 LEU 62 3.673 -0.280 0.047 476 HD22 LEU 62 HD22 LEU 62 3.672 0.435 -1.562 477 HD23 LEU 62 HD23 LEU 62 4.988 -0.634 -1.077 478 H ILE 63 H ILE 63 -0.536 -0.351 -4.039 479 HA ILE 63 HA ILE 63 -3.143 -0.857 -2.857 480 HB ILE 63 HB ILE 63 -2.381 -0.244 -5.716 481 HG12 ILE 63 HG12 ILE 63 -3.405 1.624 -3.577 482 HG13 ILE 63 HG13 ILE 63 -1.810 1.656 -4.302 483 HG21 ILE 63 HG21 ILE 63 -4.576 -1.324 -5.569 484 HG22 ILE 63 HG22 ILE 63 -4.684 0.347 -6.127 485 HG23 ILE 63 HG23 ILE 63 -5.107 -0.057 -4.460 486 HD11 ILE 63 HD11 ILE 63 -2.801 2.252 -6.444 487 HD12 ILE 63 HD12 ILE 63 -3.181 3.416 -5.176 488 HD13 ILE 63 HD13 ILE 63 -4.399 2.246 -5.693 489 H GLY 64 H GLY 64 -4.227 -2.734 -2.953 490 HA2 GLY 64 HA2 GLY 64 -2.831 -5.064 -3.967 491 HA3 GLY 64 HA3 GLY 64 -4.234 -5.066 -2.922 492 H LYS 65 H LYS 65 -4.108 -6.859 -4.922 493 HA LYS 65 HA LYS 65 -5.504 -5.867 -7.248 494 HB2 LYS 65 HB2 LYS 65 -3.756 -7.502 -7.570 495 HB3 LYS 65 HB3 LYS 65 -4.602 -8.635 -6.518 496 HG2 LYS 65 HG2 LYS 65 -6.419 -8.788 -8.059 497 HG3 LYS 65 HG3 LYS 65 -5.700 -7.558 -9.096 498 HD2 LYS 65 HD2 LYS 65 -3.799 -9.008 -9.529 499 HD3 LYS 65 HD3 LYS 65 -4.469 -10.237 -8.465 500 HE2 LYS 65 HE2 LYS 65 -4.920 -10.778 -10.794 501 HE3 LYS 65 HE3 LYS 65 -6.423 -10.425 -9.950 502 HZ1 LYS 65 HZ1 LYS 65 -6.356 -9.389 -12.126 503 HZ2 LYS 65 HZ2 LYS 65 -4.941 -8.556 -11.717 504 HZ3 LYS 65 HZ3 LYS 65 -6.387 -8.208 -10.913 505 H VAL 66 H VAL 66 -7.526 -5.539 -7.173 506 HA VAL 66 HA VAL 66 -9.324 -7.523 -5.977 507 HB VAL 66 HB VAL 66 -9.279 -4.575 -5.598 508 HG11 VAL 66 HG11 VAL 66 -11.423 -4.842 -6.812 509 HG12 VAL 66 HG12 VAL 66 -11.627 -4.324 -5.139 510 HG13 VAL 66 HG13 VAL 66 -11.936 -6.005 -5.587 511 HG21 VAL 66 HG21 VAL 66 -8.681 -5.951 -3.762 512 HG22 VAL 66 HG22 VAL 66 -10.113 -6.958 -3.969 513 HG23 VAL 66 HG23 VAL 66 -10.285 -5.300 -3.405 514 H ASP 67 H ASP 67 -11.241 -7.954 -7.078 515 HA ASP 67 HA ASP 67 -11.161 -7.419 -9.935 516 HB2 ASP 67 HB2 ASP 67 -11.628 -9.722 -8.995 517 HB3 ASP 67 HB3 ASP 67 -13.176 -9.104 -8.429 518 H GLU 68 H GLU 68 -11.851 -5.425 -10.394 519 HA GLU 68 HA GLU 68 -14.083 -4.219 -8.995 520 HB2 GLU 68 HB2 GLU 68 -12.212 -3.210 -11.134 521 HB3 GLU 68 HB3 GLU 68 -13.573 -2.266 -10.548 522 HG2 GLU 68 HG2 GLU 68 -12.632 -2.350 -8.278 523 HG3 GLU 68 HG3 GLU 68 -11.252 -3.253 -8.897 524 H SER 69 H SER 69 -13.898 -6.330 -11.514 525 HA SER 69 HA SER 69 -15.939 -5.202 -13.219 526 HB2 SER 69 HB2 SER 69 -15.703 -7.200 -14.546 527 HB3 SER 69 HB3 SER 69 -14.089 -6.670 -14.072 528 HG SER 69 HG SER 69 -14.455 -8.232 -12.238 529 H LYS 70 H LYS 70 -15.860 -7.222 -10.405 530 HA LYS 70 HA LYS 70 -18.498 -8.298 -10.793 531 HB2 LYS 70 HB2 LYS 70 -16.552 -8.441 -8.511 532 HB3 LYS 70 HB3 LYS 70 -18.126 -9.195 -8.465 533 HG2 LYS 70 HG2 LYS 70 -17.495 -10.588 -10.383 534 HG3 LYS 70 HG3 LYS 70 -15.908 -9.832 -10.408 535 HD2 LYS 70 HD2 LYS 70 -15.469 -10.705 -8.142 536 HD3 LYS 70 HD3 LYS 70 -17.051 -11.485 -8.148 537 HE2 LYS 70 HE2 LYS 70 -16.398 -12.963 -9.908 538 HE3 LYS 70 HE3 LYS 70 -14.905 -12.067 -10.187 539 HZ1 LYS 70 HZ1 LYS 70 -15.569 -13.606 -7.734 540 HZ2 LYS 70 HZ2 LYS 70 -14.137 -12.745 -7.994 541 HZ3 LYS 70 HZ3 LYS 70 -14.495 -14.095 -8.946 542 H LYS 71 H LYS 71 -20.321 -7.494 -10.099 543 HA LYS 71 HA LYS 71 -20.341 -4.926 -8.689 544 HB2 LYS 71 HB2 LYS 71 -22.625 -6.282 -10.050 545 HB3 LYS 71 HB3 LYS 71 -22.555 -4.634 -9.490 546 HG2 LYS 71 HG2 LYS 71 -20.923 -5.841 -11.647 547 HG3 LYS 71 HG3 LYS 71 -22.326 -4.816 -11.887 548 HD2 LYS 71 HD2 LYS 71 -21.237 -2.970 -10.843 549 HD3 LYS 71 HD3 LYS 71 -19.914 -4.023 -10.320 550 HE2 LYS 71 HE2 LYS 71 -19.544 -4.494 -12.755 551 HE3 LYS 71 HE3 LYS 71 -20.560 -3.091 -13.087 552 HZ1 LYS 71 HZ1 LYS 71 -18.229 -2.478 -13.067 553 HZ2 LYS 71 HZ2 LYS 71 -18.043 -3.094 -11.503 554 HZ3 LYS 71 HZ3 LYS 71 -19.026 -1.743 -11.767 555 H ARG 72 H ARG 72 -20.691 -4.889 -6.555 556 HA ARG 72 HA ARG 72 -22.502 -6.901 -5.394 557 HB2 ARG 72 HB2 ARG 72 -20.189 -6.757 -4.438 558 HB3 ARG 72 HB3 ARG 72 -20.531 -5.102 -3.970 559 HG2 ARG 72 HG2 ARG 72 -22.209 -5.816 -2.412 560 HG3 ARG 72 HG3 ARG 72 -22.094 -7.482 -2.985 561 HD2 ARG 72 HD2 ARG 72 -20.906 -7.214 -0.876 562 HD3 ARG 72 HD3 ARG 72 -19.783 -7.598 -2.178 563 HE ARG 72 HE ARG 72 -18.842 -5.496 -1.970 564 HH11 ARG 72 HH11 ARG 72 -21.713 -5.652 0.054 565 HH12 ARG 72 HH12 ARG 72 -21.338 -4.181 0.890 566 HH21 ARG 72 HH21 ARG 72 -18.379 -3.576 -0.860 567 HH22 ARG 72 HH22 ARG 72 -19.455 -3.010 0.372 568 H LYS 73 H LYS 73 -24.317 -6.215 -4.258 569 HA LYS 73 HA LYS 73 -24.869 -3.318 -4.273 570 HB2 LYS 73 HB2 LYS 73 -26.809 -5.569 -4.886 571 HB3 LYS 73 HB3 LYS 73 -27.279 -3.891 -4.651 572 HG2 LYS 73 HG2 LYS 73 -25.854 -3.256 -6.556 573 HG3 LYS 73 HG3 LYS 73 -25.483 -4.956 -6.815 574 HD2 LYS 73 HD2 LYS 73 -27.877 -5.397 -7.180 575 HD3 LYS 73 HD3 LYS 73 -28.205 -3.673 -6.968 576 HE2 LYS 73 HE2 LYS 73 -26.821 -3.139 -8.880 577 HE3 LYS 73 HE3 LYS 73 -26.386 -4.838 -9.071 578 HZ1 LYS 73 HZ1 LYS 73 -29.119 -3.713 -9.360 579 HZ2 LYS 73 HZ2 LYS 73 -28.708 -5.345 -9.524 580 HZ3 LYS 73 HZ3 LYS 73 -28.113 -4.208 -10.627 581 H ASP 74 H ASP 74 -25.986 -2.506 -2.521 582 HA ASP 74 HA ASP 74 -25.648 -4.012 -0.081 583 HB2 ASP 74 HB2 ASP 74 -26.130 -1.894 1.063 584 HB3 ASP 74 HB3 ASP 74 -24.911 -1.676 -0.180 585 H ASN 75 H ASN 75 -27.649 -3.056 1.599 586 HA ASN 75 HA ASN 75 -29.646 -4.974 1.264 587 HB2 ASN 75 HB2 ASN 75 -29.529 -2.499 2.977 588 HB3 ASN 75 HB3 ASN 75 -30.869 -3.636 3.058 589 HD21 ASN 75 HD21 ASN 75 -29.262 -3.056 5.236 590 HD22 ASN 75 HD22 ASN 75 -28.346 -4.460 5.655 591 H GLU 76 H GLU 76 -29.586 -1.656 0.131 592 HA GLU 76 HA GLU 76 -32.449 -1.631 -0.396 593 HB2 GLU 76 HB2 GLU 76 -30.337 0.490 -0.813 594 HB3 GLU 76 HB3 GLU 76 -32.050 0.714 -1.135 595 HG2 GLU 76 HG2 GLU 76 -32.532 0.287 1.243 596 HG3 GLU 76 HG3 GLU 76 -30.804 0.120 1.544 597 H GLY 77 H GLY 77 -29.492 -2.171 -2.118 598 HA2 GLY 77 HA2 GLY 77 -29.572 -3.379 -4.204 599 HA3 GLY 77 HA3 GLY 77 -31.043 -2.510 -4.604 600 H ASN 78 H ASN 78 -28.589 -0.580 -3.213 601 HA ASN 78 HA ASN 78 -28.022 0.713 -5.755 602 HB2 ASN 78 HB2 ASN 78 -27.020 1.380 -2.973 603 HB3 ASN 78 HB3 ASN 78 -26.823 2.382 -4.405 604 HD21 ASN 78 HD21 ASN 78 -28.556 2.036 -1.676 605 HD22 ASN 78 HD22 ASN 78 -30.017 2.835 -2.136 606 H GLU 79 H GLU 79 -25.922 0.956 -6.636 607 HA GLU 79 HA GLU 79 -24.419 -1.467 -6.518 608 HB2 GLU 79 HB2 GLU 79 -24.745 -0.120 -8.603 609 HB3 GLU 79 HB3 GLU 79 -23.693 1.116 -7.926 610 HG2 GLU 79 HG2 GLU 79 -21.845 -0.466 -7.907 611 HG3 GLU 79 HG3 GLU 79 -22.904 -1.717 -8.555 612 H VAL 80 H VAL 80 -22.960 -1.973 -5.092 613 HA VAL 80 HA VAL 80 -21.050 0.085 -4.226 614 HB VAL 80 HB VAL 80 -21.880 -2.277 -2.516 615 HG11 VAL 80 HG11 VAL 80 -20.128 0.100 -1.919 616 HG12 VAL 80 HG12 VAL 80 -19.599 -1.571 -2.119 617 HG13 VAL 80 HG13 VAL 80 -20.616 -1.125 -0.749 618 HG21 VAL 80 HG21 VAL 80 -22.610 0.616 -2.087 619 HG22 VAL 80 HG22 VAL 80 -23.047 -0.744 -1.053 620 HG23 VAL 80 HG23 VAL 80 -23.711 -0.625 -2.687 621 H VAL 81 H VAL 81 -19.407 -0.289 -5.545 622 HA VAL 81 HA VAL 81 -18.771 -3.008 -6.292 623 HB VAL 81 HB VAL 81 -17.708 -0.405 -7.384 624 HG11 VAL 81 HG11 VAL 81 -15.998 -2.028 -7.712 625 HG12 VAL 81 HG12 VAL 81 -16.798 -1.751 -9.261 626 HG13 VAL 81 HG13 VAL 81 -17.158 -3.207 -8.331 627 HG21 VAL 81 HG21 VAL 81 -19.028 -0.897 -9.389 628 HG22 VAL 81 HG22 VAL 81 -20.041 -0.731 -7.957 629 HG23 VAL 81 HG23 VAL 81 -19.682 -2.332 -8.600 630 HA PRO 82 HA PRO 82 -15.812 -3.463 -3.026 631 HB2 PRO 82 HB2 PRO 82 -14.519 -5.426 -4.852 632 HB3 PRO 82 HB3 PRO 82 -15.037 -5.628 -3.177 633 HG2 PRO 82 HG2 PRO 82 -16.498 -6.640 -5.041 634 HG3 PRO 82 HG3 PRO 82 -17.249 -5.828 -3.839 635 HD2 PRO 82 HD2 PRO 82 -16.682 -4.848 -6.509 636 HD3 PRO 82 HD3 PRO 82 -18.089 -4.710 -5.692 637 H LYS 83 H LYS 83 -14.101 -2.370 -2.452 638 HA LYS 83 HA LYS 83 -12.419 -1.133 -4.448 639 HB2 LYS 83 HB2 LYS 83 -12.813 -0.613 -1.526 640 HB3 LYS 83 HB3 LYS 83 -11.824 0.342 -2.573 641 HG2 LYS 83 HG2 LYS 83 -14.759 -0.050 -2.758 642 HG3 LYS 83 HG3 LYS 83 -13.976 1.379 -2.139 643 HD2 LYS 83 HD2 LYS 83 -13.026 1.799 -4.343 644 HD3 LYS 83 HD3 LYS 83 -13.791 0.342 -4.972 645 HE2 LYS 83 HE2 LYS 83 -16.007 1.353 -4.419 646 HE3 LYS 83 HE3 LYS 83 -15.168 2.832 -3.952 647 HZ1 LYS 83 HZ1 LYS 83 -14.314 3.016 -6.203 648 HZ2 LYS 83 HZ2 LYS 83 -16.005 2.964 -6.211 649 HZ3 LYS 83 HZ3 LYS 83 -15.115 1.594 -6.651 650 HA PRO 84 HA PRO 84 -8.848 -3.665 -3.415 651 HB2 PRO 84 HB2 PRO 84 -6.827 -2.061 -4.192 652 HB3 PRO 84 HB3 PRO 84 -7.815 -2.966 -5.338 653 HG2 PRO 84 HG2 PRO 84 -8.036 -0.141 -4.579 654 HG3 PRO 84 HG3 PRO 84 -8.049 -0.790 -6.078 655 HD2 PRO 84 HD2 PRO 84 -10.465 -0.305 -4.889 656 HD3 PRO 84 HD3 PRO 84 -10.327 -1.657 -5.793 657 H GLN 85 H GLN 85 -7.201 -3.847 -1.920 658 HA GLN 85 HA GLN 85 -7.363 -1.990 0.326 659 HB2 GLN 85 HB2 GLN 85 -6.051 -4.706 0.084 660 HB3 GLN 85 HB3 GLN 85 -6.073 -3.738 1.552 661 HG2 GLN 85 HG2 GLN 85 -8.541 -3.845 1.541 662 HG3 GLN 85 HG3 GLN 85 -8.460 -4.892 0.129 663 HE21 GLN 85 HE21 GLN 85 -9.761 -6.135 1.847 664 HE22 GLN 85 HE22 GLN 85 -8.852 -7.247 2.808 665 H ARG 86 H ARG 86 -5.696 -0.795 1.099 666 HA ARG 86 HA ARG 86 -3.324 -0.615 -0.667 667 HB2 ARG 86 HB2 ARG 86 -4.807 1.630 0.740 668 HB3 ARG 86 HB3 ARG 86 -3.346 1.823 -0.218 669 HG2 ARG 86 HG2 ARG 86 -4.549 1.017 -2.203 670 HG3 ARG 86 HG3 ARG 86 -6.011 0.843 -1.237 671 HD2 ARG 86 HD2 ARG 86 -6.129 3.201 -0.866 672 HD3 ARG 86 HD3 ARG 86 -4.542 3.448 -1.599 673 HE ARG 86 HE ARG 86 -5.489 3.239 -3.698 674 HH11 ARG 86 HH11 ARG 86 -7.923 2.493 -1.275 675 HH12 ARG 86 HH12 ARG 86 -9.231 2.554 -2.409 676 HH21 ARG 86 HH21 ARG 86 -7.216 3.314 -5.159 677 HH22 ARG 86 HH22 ARG 86 -8.830 3.019 -4.605 678 H HIS 87 H HIS 87 -1.461 -1.044 0.324 679 HA HIS 87 HA HIS 87 -1.296 -1.044 3.253 680 HB2 HIS 87 HB2 HIS 87 0.741 -2.145 1.312 681 HB3 HIS 87 HB3 HIS 87 0.593 -2.507 3.022 682 HD1 HIS 87 HD1 HIS 87 -1.094 -4.322 3.688 683 HD2 HIS 87 HD2 HIS 87 -1.047 -3.504 -0.388 684 HE1 HIS 87 HE1 HIS 87 -2.361 -6.208 2.607 685 HE2 HIS 87 HE2 HIS 87 -2.391 -5.648 0.151 686 H MET 88 H MET 88 -0.481 0.742 4.200 687 HA MET 88 HA MET 88 1.345 2.448 2.653 688 HB2 MET 88 HB2 MET 88 -0.721 3.514 3.494 689 HB3 MET 88 HB3 MET 88 -0.250 3.109 5.127 690 HG2 MET 88 HG2 MET 88 1.595 4.731 3.466 691 HG3 MET 88 HG3 MET 88 0.185 5.471 4.180 692 HE1 MET 88 HE1 MET 88 -0.198 4.513 7.151 693 HE2 MET 88 HE2 MET 88 -0.143 6.133 6.451 694 HE3 MET 88 HE3 MET 88 0.851 5.750 7.854 695 H PHE 89 H PHE 89 3.330 3.007 3.328 696 HA PHE 89 HA PHE 89 4.297 2.060 5.951 697 HB2 PHE 89 HB2 PHE 89 5.869 2.043 3.362 698 HB3 PHE 89 HB3 PHE 89 6.495 1.602 4.934 699 HD1 PHE 89 HD1 PHE 89 4.605 0.531 2.050 700 HD2 PHE 89 HD2 PHE 89 5.812 -0.510 5.988 701 HE1 PHE 89 HE1 PHE 89 4.007 -1.803 1.590 702 HE2 PHE 89 HE2 PHE 89 5.198 -2.855 5.558 703 HZ PHE 89 HZ PHE 89 4.293 -3.506 3.358 704 H SER 90 H SER 90 5.288 3.665 7.131 705 HA SER 90 HA SER 90 5.571 6.270 5.875 706 HB2 SER 90 HB2 SER 90 4.439 6.246 7.970 707 HB3 SER 90 HB3 SER 90 5.793 5.454 8.763 708 HG SER 90 HG SER 90 5.861 7.665 9.170 709 H PHE 91 H PHE 91 7.396 7.476 5.752 710 HA PHE 91 HA PHE 91 9.932 5.977 5.943 711 HB2 PHE 91 HB2 PHE 91 8.646 7.349 3.647 712 HB3 PHE 91 HB3 PHE 91 10.380 7.568 3.807 713 HD1 PHE 91 HD1 PHE 91 7.807 5.499 2.554 714 HD2 PHE 91 HD2 PHE 91 11.792 5.384 4.061 715 HE1 PHE 91 HE1 PHE 91 8.150 3.311 1.475 716 HE2 PHE 91 HE2 PHE 91 12.127 3.193 2.981 717 HZ PHE 91 HZ PHE 91 10.377 2.195 1.648 718 H ASN 92 H ASN 92 11.851 7.548 5.511 719 HA ASN 92 HA ASN 92 11.418 10.093 6.932 720 HB2 ASN 92 HB2 ASN 92 13.812 8.238 7.083 721 HB3 ASN 92 HB3 ASN 92 13.753 9.837 7.807 722 HD21 ASN 92 HD21 ASN 92 13.274 6.571 8.349 723 HD22 ASN 92 HD22 ASN 92 12.374 6.676 9.819 724 H ASN 93 H ASN 93 12.540 8.554 4.092 725 HA ASN 93 HA ASN 93 13.583 11.082 3.039 726 HB2 ASN 93 HB2 ASN 93 15.527 9.705 3.814 727 HB3 ASN 93 HB3 ASN 93 15.050 8.456 2.670 728 HD21 ASN 93 HD21 ASN 93 17.391 9.010 2.119 729 HD22 ASN 93 HD22 ASN 93 17.615 10.191 0.879 730 H ARG 94 H ARG 94 13.275 11.392 0.850 731 HA ARG 94 HA ARG 94 11.175 9.829 -0.345 732 HB2 ARG 94 HB2 ARG 94 11.115 12.255 -0.537 733 HB3 ARG 94 HB3 ARG 94 12.652 12.247 -1.391 734 HG2 ARG 94 HG2 ARG 94 11.339 10.697 -3.062 735 HG3 ARG 94 HG3 ARG 94 9.937 11.487 -2.348 736 HD2 ARG 94 HD2 ARG 94 10.268 13.158 -3.772 737 HD3 ARG 94 HD3 ARG 94 11.723 13.551 -2.871 738 HE ARG 94 HE ARG 94 12.964 12.157 -4.448 739 HH11 ARG 94 HH11 ARG 94 9.769 13.213 -5.467 740 HH12 ARG 94 HH12 ARG 94 10.127 13.045 -7.153 741 HH21 ARG 94 HH21 ARG 94 13.408 11.949 -6.659 742 HH22 ARG 94 HH22 ARG 94 12.186 12.331 -7.826 743 H THR 95 H THR 95 14.617 9.941 -0.646 744 HA THR 95 HA THR 95 14.745 8.890 -3.332 745 HB THR 95 HB THR 95 17.162 8.730 -2.962 746 HG1 THR 95 HG1 THR 95 16.720 9.600 -0.291 747 HG21 THR 95 HG21 THR 95 16.261 10.968 -3.471 748 HG22 THR 95 HG22 THR 95 17.685 11.065 -2.434 749 HG23 THR 95 HG23 THR 95 16.075 11.279 -1.744 750 H VAL 96 H VAL 96 14.414 7.518 -0.150 751 HA VAL 96 HA VAL 96 15.207 4.849 -0.932 752 HB VAL 96 HB VAL 96 13.575 5.707 1.489 753 HG11 VAL 96 HG11 VAL 96 15.013 3.089 1.060 754 HG12 VAL 96 HG12 VAL 96 13.289 3.313 0.791 755 HG13 VAL 96 HG13 VAL 96 13.961 3.527 2.407 756 HG21 VAL 96 HG21 VAL 96 15.884 6.614 1.464 757 HG22 VAL 96 HG22 VAL 96 16.498 4.965 1.366 758 HG23 VAL 96 HG23 VAL 96 15.595 5.488 2.792 759 H MET 97 H MET 97 12.010 6.259 -0.028 760 HA MET 97 HA MET 97 10.355 4.212 -0.850 761 HB2 MET 97 HB2 MET 97 9.090 6.697 -1.563 762 HB3 MET 97 HB3 MET 97 8.752 5.633 -0.213 763 HG2 MET 97 HG2 MET 97 10.530 6.732 1.054 764 HG3 MET 97 HG3 MET 97 10.733 7.882 -0.259 765 HE1 MET 97 HE1 MET 97 7.188 9.650 -0.240 766 HE2 MET 97 HE2 MET 97 7.847 8.360 -1.252 767 HE3 MET 97 HE3 MET 97 8.828 9.779 -0.880 768 H ASP 98 H ASP 98 11.703 6.780 -2.858 769 HA ASP 98 HA ASP 98 10.409 5.995 -5.272 770 HB2 ASP 98 HB2 ASP 98 12.748 7.761 -4.595 771 HB3 ASP 98 HB3 ASP 98 12.343 7.437 -6.271 772 H ASN 99 H ASN 99 13.254 4.833 -3.660 773 HA ASN 99 HA ASN 99 14.185 3.331 -5.975 774 HB2 ASN 99 HB2 ASN 99 15.211 4.008 -3.304 775 HB3 ASN 99 HB3 ASN 99 15.579 2.363 -3.789 776 HD21 ASN 99 HD21 ASN 99 17.091 5.017 -3.513 777 HD22 ASN 99 HD22 ASN 99 18.017 5.103 -4.969 778 H ILE 100 H ILE 100 12.491 2.646 -2.884 779 HA ILE 100 HA ILE 100 12.353 -0.179 -3.234 780 HB ILE 100 HB ILE 100 10.552 1.664 -1.624 781 HG12 ILE 100 HG12 ILE 100 12.822 1.549 -0.714 782 HG13 ILE 100 HG13 ILE 100 11.691 0.788 0.366 783 HG21 ILE 100 HG21 ILE 100 9.447 -0.506 -2.316 784 HG22 ILE 100 HG22 ILE 100 9.486 -0.160 -0.592 785 HG23 ILE 100 HG23 ILE 100 10.618 -1.323 -1.285 786 HD11 ILE 100 HD11 ILE 100 13.659 -0.594 -1.447 787 HD12 ILE 100 HD12 ILE 100 12.473 -1.410 -0.431 788 HD13 ILE 100 HD13 ILE 100 13.751 -0.445 0.309 789 H LYS 101 H LYS 101 9.904 2.374 -3.805 790 HA LYS 101 HA LYS 101 7.953 0.961 -5.143 791 HB2 LYS 101 HB2 LYS 101 7.748 3.289 -4.397 792 HB3 LYS 101 HB3 LYS 101 8.856 3.787 -5.664 793 HG2 LYS 101 HG2 LYS 101 7.209 2.888 -7.332 794 HG3 LYS 101 HG3 LYS 101 6.092 2.650 -5.988 795 HD2 LYS 101 HD2 LYS 101 6.167 5.050 -5.498 796 HD3 LYS 101 HD3 LYS 101 7.315 5.277 -6.810 797 HE2 LYS 101 HE2 LYS 101 5.631 4.562 -8.429 798 HE3 LYS 101 HE3 LYS 101 4.482 4.305 -7.118 799 HZ1 LYS 101 HZ1 LYS 101 4.118 6.424 -8.228 800 HZ2 LYS 101 HZ2 LYS 101 5.694 6.914 -7.865 801 HZ3 LYS 101 HZ3 LYS 101 4.577 6.667 -6.618 802 H MET 102 H MET 102 10.852 2.459 -6.524 803 HA MET 102 HA MET 102 10.490 1.973 -9.223 804 HB2 MET 102 HB2 MET 102 12.319 3.278 -8.312 805 HB3 MET 102 HB3 MET 102 13.014 1.864 -7.577 806 HG2 MET 102 HG2 MET 102 13.303 0.956 -9.933 807 HG3 MET 102 HG3 MET 102 12.867 2.575 -10.474 808 HE1 MET 102 HE1 MET 102 14.353 4.756 -10.091 809 HE2 MET 102 HE2 MET 102 15.794 4.767 -9.077 810 HE3 MET 102 HE3 MET 102 14.210 4.482 -8.355 811 H THR 103 H THR 103 12.155 -0.235 -6.916 812 HA THR 103 HA THR 103 12.449 -2.401 -8.678 813 HB THR 103 HB THR 103 12.134 -2.499 -5.662 814 HG1 THR 103 HG1 THR 103 14.527 -2.641 -5.880 815 HG21 THR 103 HG21 THR 103 13.379 -4.515 -7.550 816 HG22 THR 103 HG22 THR 103 11.864 -4.727 -6.675 817 HG23 THR 103 HG23 THR 103 13.382 -4.619 -5.790 818 H LEU 104 H LEU 104 9.970 -1.983 -6.120 819 HA LEU 104 HA LEU 104 8.209 -3.997 -6.557 820 HB2 LEU 104 HB2 LEU 104 7.575 -1.080 -6.038 821 HB3 LEU 104 HB3 LEU 104 6.412 -2.362 -5.846 822 HG LEU 104 HG LEU 104 8.941 -2.074 -4.229 823 HD11 LEU 104 HD11 LEU 104 7.726 -0.431 -3.254 824 HD12 LEU 104 HD12 LEU 104 6.936 -1.786 -2.461 825 HD13 LEU 104 HD13 LEU 104 6.200 -1.043 -3.879 826 HD21 LEU 104 HD21 LEU 104 8.314 -3.893 -2.977 827 HD22 LEU 104 HD22 LEU 104 7.820 -4.404 -4.590 828 HD23 LEU 104 HD23 LEU 104 6.622 -3.769 -3.452 829 H GLN 105 H GLN 105 7.943 -0.814 -8.088 830 HA GLN 105 HA GLN 105 5.934 -1.227 -9.929 831 HB2 GLN 105 HB2 GLN 105 7.077 0.937 -9.374 832 HB3 GLN 105 HB3 GLN 105 8.399 0.466 -10.420 833 HG2 GLN 105 HG2 GLN 105 6.997 1.936 -11.637 834 HG3 GLN 105 HG3 GLN 105 6.773 0.322 -12.304 835 HE21 GLN 105 HE21 GLN 105 4.779 0.073 -12.893 836 HE22 GLN 105 HE22 GLN 105 3.369 0.581 -12.029 837 H GLN 106 H GLN 106 9.272 -2.225 -10.203 838 HA GLN 106 HA GLN 106 9.071 -2.963 -12.996 839 HB2 GLN 106 HB2 GLN 106 11.248 -3.269 -10.918 840 HB3 GLN 106 HB3 GLN 106 11.398 -3.887 -12.552 841 HG2 GLN 106 HG2 GLN 106 11.303 -1.722 -13.485 842 HG3 GLN 106 HG3 GLN 106 10.854 -0.984 -11.959 843 HE21 GLN 106 HE21 GLN 106 12.777 0.313 -12.884 844 HE22 GLN 106 HE22 GLN 106 14.338 -0.138 -12.293 845 H ILE 107 H ILE 107 8.531 -4.428 -9.932 846 HA ILE 107 HA ILE 107 8.658 -7.160 -10.840 847 HB ILE 107 HB ILE 107 7.717 -5.917 -8.239 848 HG12 ILE 107 HG12 ILE 107 10.130 -7.663 -8.813 849 HG13 ILE 107 HG13 ILE 107 10.176 -5.919 -8.778 850 HG21 ILE 107 HG21 ILE 107 6.428 -7.954 -8.666 851 HG22 ILE 107 HG22 ILE 107 7.530 -8.150 -7.307 852 HG23 ILE 107 HG23 ILE 107 7.927 -8.864 -8.873 853 HD11 ILE 107 HD11 ILE 107 9.401 -7.591 -6.410 854 HD12 ILE 107 HD12 ILE 107 9.734 -5.861 -6.441 855 HD13 ILE 107 HD13 ILE 107 11.037 -7.017 -6.724 856 H ILE 108 H ILE 108 6.035 -4.824 -10.110 857 HA ILE 108 HA ILE 108 3.908 -6.701 -10.477 858 HB ILE 108 HB ILE 108 3.818 -3.665 -10.490 859 HG12 ILE 108 HG12 ILE 108 2.812 -5.536 -8.369 860 HG13 ILE 108 HG13 ILE 108 4.474 -5.009 -8.387 861 HG21 ILE 108 HG21 ILE 108 1.393 -3.858 -10.226 862 HG22 ILE 108 HG22 ILE 108 1.511 -5.621 -10.316 863 HG23 ILE 108 HG23 ILE 108 1.900 -4.640 -11.731 864 HD11 ILE 108 HD11 ILE 108 3.074 -3.715 -6.852 865 HD12 ILE 108 HD12 ILE 108 2.114 -3.169 -8.227 866 HD13 ILE 108 HD13 ILE 108 3.815 -2.729 -8.108 867 H SER 109 H SER 109 5.515 -4.405 -12.584 868 HA SER 109 HA SER 109 3.830 -4.621 -14.845 869 HB2 SER 109 HB2 SER 109 5.673 -3.661 -16.111 870 HB3 SER 109 HB3 SER 109 5.538 -2.853 -14.550 871 HG SER 109 HG SER 109 7.261 -5.049 -14.788 872 H ARG 110 H ARG 110 6.159 -6.818 -13.541 873 HA ARG 110 HA ARG 110 6.430 -8.477 -15.879 874 HB2 ARG 110 HB2 ARG 110 8.139 -8.500 -14.133 875 HB3 ARG 110 HB3 ARG 110 6.962 -9.098 -12.974 876 HG2 ARG 110 HG2 ARG 110 8.369 -10.891 -13.743 877 HG3 ARG 110 HG3 ARG 110 6.716 -11.148 -14.293 878 HD2 ARG 110 HD2 ARG 110 7.336 -10.186 -16.484 879 HD3 ARG 110 HD3 ARG 110 8.993 -10.038 -15.904 880 HE ARG 110 HE ARG 110 8.438 -12.667 -15.547 881 HH11 ARG 110 HH11 ARG 110 8.248 -10.560 -18.353 882 HH12 ARG 110 HH12 ARG 110 8.554 -11.842 -19.476 883 HH21 ARG 110 HH21 ARG 110 8.837 -14.326 -17.036 884 HH22 ARG 110 HH22 ARG 110 8.886 -13.970 -18.731 885 H TYR 111 H TYR 111 4.504 -8.562 -12.916 886 HA TYR 111 HA TYR 111 2.945 -10.853 -13.685 887 HB2 TYR 111 HB2 TYR 111 2.585 -8.849 -11.454 888 HB3 TYR 111 HB3 TYR 111 1.703 -10.350 -11.625 889 HD1 TYR 111 HD1 TYR 111 4.321 -8.860 -9.945 890 HD2 TYR 111 HD2 TYR 111 3.383 -12.481 -11.983 891 HE1 TYR 111 HE1 TYR 111 6.111 -10.009 -8.721 892 HE2 TYR 111 HE2 TYR 111 5.175 -13.636 -10.763 893 HH TYR 111 HH TYR 111 7.260 -13.075 -9.609 894 H LYS 112 H LYS 112 2.974 -7.719 -14.693 895 HA LYS 112 HA LYS 112 0.109 -7.309 -14.978 896 HB2 LYS 112 HB2 LYS 112 1.606 -5.451 -14.365 897 HB3 LYS 112 HB3 LYS 112 2.471 -5.649 -15.883 898 HG2 LYS 112 HG2 LYS 112 0.444 -5.033 -17.108 899 HG3 LYS 112 HG3 LYS 112 -0.420 -4.877 -15.594 900 HD2 LYS 112 HD2 LYS 112 0.975 -3.008 -14.929 901 HD3 LYS 112 HD3 LYS 112 1.985 -3.220 -16.357 902 HE2 LYS 112 HE2 LYS 112 0.523 -1.340 -16.715 903 HE3 LYS 112 HE3 LYS 112 0.019 -2.652 -17.774 904 HZ1 LYS 112 HZ1 LYS 112 -1.844 -1.502 -16.678 905 HZ2 LYS 112 HZ2 LYS 112 -1.266 -2.016 -15.172 906 HZ3 LYS 112 HZ3 LYS 112 -1.789 -3.150 -16.310 907 H ASP 113 H ASP 113 2.903 -8.251 -16.851 908 HA ASP 113 HA ASP 113 1.489 -8.316 -19.378 909 HB2 ASP 113 HB2 ASP 113 4.292 -8.996 -18.506 910 HB3 ASP 113 HB3 ASP 113 3.715 -9.317 -20.128 911 H ALA 114 H ALA 114 2.637 -10.542 -16.892 912 HA ALA 114 HA ALA 114 2.370 -12.738 -16.478 913 HB1 ALA 114 HB1 ALA 114 -0.210 -12.422 -18.005 914 HB2 ALA 114 HB2 ALA 114 0.033 -11.998 -16.312 915 HB3 ALA 114 HB3 ALA 114 0.172 -13.679 -16.827 916 H ASP 115 H ASP 115 4.104 -13.499 -17.589 917 HA ASP 115 HA ASP 115 3.585 -14.670 -20.236 918 HB2 ASP 115 HB2 ASP 115 5.448 -13.092 -20.206 919 HB3 ASP 115 HB3 ASP 115 6.240 -14.014 -18.941 920 H1 GLY 519 H1 GLY 519 -5.452 19.157 16.440 921 H2 GLY 519 H2 GLY 519 -3.887 18.721 16.910 922 H3 GLY 519 H3 GLY 519 -5.215 18.224 17.831 923 HA2 GLY 519 HA2 GLY 519 -4.605 17.364 15.055 924 HA3 GLY 519 HA3 GLY 519 -4.362 16.396 16.501 925 H SER 520 H SER 520 -6.479 17.186 14.017 926 HA SER 520 HA SER 520 -8.787 16.044 15.446 927 HB2 SER 520 HB2 SER 520 -9.256 18.279 14.616 928 HB3 SER 520 HB3 SER 520 -8.706 17.832 13.002 929 HG SER 520 HG SER 520 -10.502 16.678 12.685 930 HA PRO 521 HA PRO 521 -8.086 12.489 12.748 931 HB2 PRO 521 HB2 PRO 521 -10.174 10.965 13.622 932 HB3 PRO 521 HB3 PRO 521 -8.670 11.154 14.519 933 HG2 PRO 521 HG2 PRO 521 -11.230 12.475 14.931 934 HG3 PRO 521 HG3 PRO 521 -10.161 11.944 16.046 935 HD2 PRO 521 HD2 PRO 521 -10.434 14.416 15.408 936 HD3 PRO 521 HD3 PRO 521 -9.058 13.794 16.032 937 H GLY 522 H GLY 522 -11.116 14.252 12.890 938 HA2 GLY 522 HA2 GLY 522 -11.965 14.948 10.657 939 HA3 GLY 522 HA3 GLY 522 -11.791 13.264 10.185 940 H TYR 523 H TYR 523 -13.024 11.704 11.678 941 HA TYR 523 HA TYR 523 -15.708 12.816 12.178 942 HB2 TYR 523 HB2 TYR 523 -14.911 10.054 11.216 943 HB3 TYR 523 HB3 TYR 523 -16.551 10.514 11.648 944 HD1 TYR 523 HD1 TYR 523 -13.893 10.843 9.142 945 HD2 TYR 523 HD2 TYR 523 -17.867 11.959 10.186 946 HE1 TYR 523 HE1 TYR 523 -14.277 11.610 6.838 947 HE2 TYR 523 HE2 TYR 523 -18.260 12.726 7.882 948 HH TYR 523 HH TYR 523 -16.159 11.999 5.315 949 HA PRO 524 HA PRO 524 -14.780 11.573 16.502 950 HB2 PRO 524 HB2 PRO 524 -17.674 12.241 16.777 951 HB3 PRO 524 HB3 PRO 524 -16.306 12.746 17.776 952 HG2 PRO 524 HG2 PRO 524 -17.304 14.451 16.103 953 HG3 PRO 524 HG3 PRO 524 -15.678 14.336 16.201 954 HD2 PRO 524 HD2 PRO 524 -17.381 13.165 14.144 955 HD3 PRO 524 HD3 PRO 524 -15.984 13.978 13.906 956 H ASN 525 H ASN 525 -15.094 9.725 17.644 957 HA ASN 525 HA ASN 525 -15.645 7.589 18.149 958 HB2 ASN 525 HB2 ASN 525 -17.867 8.557 18.667 959 HB3 ASN 525 HB3 ASN 525 -18.372 8.273 17.006 960 HD21 ASN 525 HD21 ASN 525 -20.107 7.056 17.968 961 HD22 ASN 525 HD22 ASN 525 -19.843 5.416 18.447 962 H GLY 526 H GLY 526 -14.728 5.960 17.144 963 HA2 GLY 526 HA2 GLY 526 -15.771 4.695 14.851 964 HA3 GLY 526 HA3 GLY 526 -14.427 5.720 14.370 965 H LEU 527 H LEU 527 -15.351 3.065 16.505 966 HA LEU 527 HA LEU 527 -12.581 2.084 16.390 967 HB2 LEU 527 HB2 LEU 527 -14.555 1.734 18.635 968 HB3 LEU 527 HB3 LEU 527 -12.978 0.978 18.574 969 HG LEU 527 HG LEU 527 -13.410 3.970 18.674 970 HD11 LEU 527 HD11 LEU 527 -14.212 2.808 20.713 971 HD12 LEU 527 HD12 LEU 527 -12.849 3.898 20.999 972 HD13 LEU 527 HD13 LEU 527 -12.586 2.154 20.928 973 HD21 LEU 527 HD21 LEU 527 -10.950 2.267 19.024 974 HD22 LEU 527 HD22 LEU 527 -11.027 4.014 19.253 975 HD23 LEU 527 HD23 LEU 527 -11.310 3.320 17.656 976 H LEU 528 H LEU 528 -14.715 1.550 14.494 977 HA LEU 528 HA LEU 528 -15.631 -1.139 14.929 978 HB2 LEU 528 HB2 LEU 528 -15.663 0.617 12.465 979 HB3 LEU 528 HB3 LEU 528 -16.446 -0.942 12.573 980 HG LEU 528 HG LEU 528 -17.177 1.435 14.292 981 HD11 LEU 528 HD11 LEU 528 -18.515 0.393 11.796 982 HD12 LEU 528 HD12 LEU 528 -17.706 1.949 11.984 983 HD13 LEU 528 HD13 LEU 528 -19.185 1.612 12.879 984 HD21 LEU 528 HD21 LEU 528 -17.711 -0.707 15.305 985 HD22 LEU 528 HD22 LEU 528 -18.542 -1.214 13.834 986 HD23 LEU 528 HD23 LEU 528 -19.182 0.119 14.793 987 H SER 529 H SER 529 -12.660 0.006 14.305 988 HA SER 529 HA SER 529 -11.747 -2.531 13.198 989 HB2 SER 529 HB2 SER 529 -10.353 -1.553 11.493 990 HB3 SER 529 HB3 SER 529 -11.986 -0.942 11.254 991 HG SER 529 HG SER 529 -9.723 0.428 11.710 992 H GLY 530 H GLY 530 -10.585 0.698 14.227 993 HA2 GLY 530 HA2 GLY 530 -9.571 1.015 16.369 994 HA3 GLY 530 HA3 GLY 530 -9.001 -0.640 16.309 995 H ASP 531 H ASP 531 -7.817 -0.619 13.730 996 HA ASP 531 HA ASP 531 -5.613 1.292 14.136 997 HB2 ASP 531 HB2 ASP 531 -5.405 -1.661 13.532 998 HB3 ASP 531 HB3 ASP 531 -4.055 -0.545 13.362 999 H GLU 532 H GLU 532 -7.964 0.331 12.083 1000 HA GLU 532 HA GLU 532 -6.460 1.072 9.673 1001 HB2 GLU 532 HB2 GLU 532 -8.883 -0.677 9.991 1002 HB3 GLU 532 HB3 GLU 532 -8.201 -0.199 8.463 1003 HG2 GLU 532 HG2 GLU 532 -6.128 -1.359 9.053 1004 HG3 GLU 532 HG3 GLU 532 -6.851 -1.843 10.583 1005 H ASP 533 H ASP 533 -8.155 2.546 11.774 1006 HA ASP 533 HA ASP 533 -10.343 3.656 10.235 1007 HB2 ASP 533 HB2 ASP 533 -9.377 4.082 13.064 1008 HB3 ASP 533 HB3 ASP 533 -10.693 5.017 12.368 1009 H PHE 534 H PHE 534 -7.057 4.522 10.977 1010 HA PHE 534 HA PHE 534 -7.506 7.314 10.289 1011 HB2 PHE 534 HB2 PHE 534 -5.041 5.910 11.316 1012 HB3 PHE 534 HB3 PHE 534 -5.059 7.601 10.846 1013 HD1 PHE 534 HD1 PHE 534 -6.326 5.149 13.272 1014 HD2 PHE 534 HD2 PHE 534 -5.952 9.274 12.299 1015 HE1 PHE 534 HE1 PHE 534 -7.057 5.750 15.546 1016 HE2 PHE 534 HE2 PHE 534 -6.674 9.881 14.571 1017 HZ PHE 534 HZ PHE 534 -7.228 8.118 16.199 1018 H SER 535 H SER 535 -6.593 4.475 8.719 1019 HA SER 535 HA SER 535 -5.118 5.812 6.603 1020 HB2 SER 535 HB2 SER 535 -4.815 3.602 5.627 1021 HB3 SER 535 HB3 SER 535 -4.388 3.570 7.333 1022 HG SER 535 HG SER 535 -6.520 2.373 5.994 1023 H SER 536 H SER 536 -8.316 5.443 7.351 1024 HA SER 536 HA SER 536 -9.307 5.251 4.624 1025 HB2 SER 536 HB2 SER 536 -11.536 5.440 5.636 1026 HB3 SER 536 HB3 SER 536 -10.583 4.210 6.462 1027 HG SER 536 HG SER 536 -11.583 6.589 7.405 1028 H ILE 537 H ILE 537 -8.794 7.681 7.105 1029 HA ILE 537 HA ILE 537 -9.795 9.816 5.397 1030 HB ILE 537 HB ILE 537 -8.595 9.954 8.178 1031 HG12 ILE 537 HG12 ILE 537 -10.693 8.828 8.343 1032 HG13 ILE 537 HG13 ILE 537 -10.973 10.480 8.868 1033 HG21 ILE 537 HG21 ILE 537 -9.946 12.151 6.606 1034 HG22 ILE 537 HG22 ILE 537 -8.245 12.079 7.065 1035 HG23 ILE 537 HG23 ILE 537 -9.488 12.249 8.306 1036 HD11 ILE 537 HD11 ILE 537 -11.764 9.242 6.236 1037 HD12 ILE 537 HD12 ILE 537 -11.912 10.959 6.600 1038 HD13 ILE 537 HD13 ILE 537 -12.831 9.775 7.537 1039 H ALA 538 H ALA 538 -6.763 8.405 6.402 1040 HA ALA 538 HA ALA 538 -5.220 10.482 5.126 1041 HB1 ALA 538 HB1 ALA 538 -3.267 9.262 5.796 1042 HB2 ALA 538 HB2 ALA 538 -4.235 7.838 6.168 1043 HB3 ALA 538 HB3 ALA 538 -4.398 9.293 7.147 1044 H ASP 539 H ASP 539 -7.154 8.323 3.903 1045 HA ASP 539 HA ASP 539 -5.512 7.509 1.617 1046 HB2 ASP 539 HB2 ASP 539 -7.002 5.810 2.648 1047 HB3 ASP 539 HB3 ASP 539 -8.392 6.827 2.287 1048 H MET 540 H MET 540 -8.231 9.552 2.524 1049 HA MET 540 HA MET 540 -8.674 10.671 -0.063 1050 HB2 MET 540 HB2 MET 540 -9.336 11.738 2.681 1051 HB3 MET 540 HB3 MET 540 -9.889 12.439 1.163 1052 HG2 MET 540 HG2 MET 540 -11.128 10.441 0.623 1053 HG3 MET 540 HG3 MET 540 -10.489 9.623 2.045 1054 HE1 MET 540 HE1 MET 540 -13.638 12.980 2.022 1055 HE2 MET 540 HE2 MET 540 -13.172 12.021 0.617 1056 HE3 MET 540 HE3 MET 540 -12.029 13.164 1.319 1057 H ASP 541 H ASP 541 -6.318 11.059 2.337 1058 HA ASP 541 HA ASP 541 -5.428 13.680 1.778 1059 HB2 ASP 541 HB2 ASP 541 -4.359 11.323 3.258 1060 HB3 ASP 541 HB3 ASP 541 -3.302 12.679 2.950 1061 H PHE 542 H PHE 542 -4.719 10.516 0.422 1062 HA PHE 542 HA PHE 542 -2.176 11.278 -0.691 1063 HB2 PHE 542 HB2 PHE 542 -3.704 8.842 -0.332 1064 HB3 PHE 542 HB3 PHE 542 -2.920 8.891 -1.901 1065 HD1 PHE 542 HD1 PHE 542 -2.277 9.198 1.735 1066 HD2 PHE 542 HD2 PHE 542 -0.661 8.434 -2.125 1067 HE1 PHE 542 HE1 PHE 542 -0.140 8.544 2.757 1068 HE2 PHE 542 HE2 PHE 542 1.472 7.793 -1.102 1069 HZ PHE 542 HZ PHE 542 1.730 7.826 1.332 1070 H SER 543 H SER 543 -5.444 11.352 -1.851 1071 HA SER 543 HA SER 543 -4.721 11.276 -4.651 1072 HB2 SER 543 HB2 SER 543 -7.113 11.559 -5.074 1073 HB3 SER 543 HB3 SER 543 -6.848 10.306 -3.866 1074 HG SER 543 HG SER 543 -8.392 11.514 -2.964 1075 H ALA 544 H ALA 544 -4.990 13.680 -2.237 1076 HA ALA 544 HA ALA 544 -5.319 15.871 -4.130 1077 HB1 ALA 544 HB1 ALA 544 -4.920 15.954 -1.141 1078 HB2 ALA 544 HB2 ALA 544 -6.478 15.959 -1.965 1079 HB3 ALA 544 HB3 ALA 544 -5.365 17.311 -2.175 1080 H LEU 545 H LEU 545 -2.780 14.119 -2.618 1081 HA LEU 545 HA LEU 545 -0.838 16.246 -2.632 1082 HB2 LEU 545 HB2 LEU 545 -0.630 13.304 -2.045 1083 HB3 LEU 545 HB3 LEU 545 0.698 14.420 -1.919 1084 HG LEU 545 HG LEU 545 -1.811 14.639 -0.282 1085 HD11 LEU 545 HD11 LEU 545 0.867 13.536 0.525 1086 HD12 LEU 545 HD12 LEU 545 -0.571 12.572 0.210 1087 HD13 LEU 545 HD13 LEU 545 -0.553 13.709 1.551 1088 HD21 LEU 545 HD21 LEU 545 0.861 16.023 -0.075 1089 HD22 LEU 545 HD22 LEU 545 -0.402 16.101 1.151 1090 HD23 LEU 545 HD23 LEU 545 -0.693 16.768 -0.453 1091 H LEU 546 H LEU 546 -1.600 13.419 -4.620 1092 HA LEU 546 HA LEU 546 0.782 13.715 -6.254 1093 HB2 LEU 546 HB2 LEU 546 -0.287 11.499 -5.744 1094 HB3 LEU 546 HB3 LEU 546 -1.635 11.971 -6.749 1095 HG LEU 546 HG LEU 546 -0.191 12.045 -8.700 1096 HD11 LEU 546 HD11 LEU 546 1.975 11.311 -6.742 1097 HD12 LEU 546 HD12 LEU 546 1.875 12.761 -7.743 1098 HD13 LEU 546 HD13 LEU 546 2.144 11.188 -8.491 1099 HD21 LEU 546 HD21 LEU 546 0.142 9.489 -7.126 1100 HD22 LEU 546 HD22 LEU 546 0.356 9.649 -8.871 1101 HD23 LEU 546 HD23 LEU 546 -1.231 9.906 -8.146 1102 H SER 547 H SER 547 -2.518 14.686 -6.281 1103 HA SER 547 HA SER 547 -2.312 15.774 -8.997 1104 HB2 SER 547 HB2 SER 547 -4.711 16.059 -8.922 1105 HB3 SER 547 HB3 SER 547 -4.337 14.440 -8.335 1106 HG SER 547 HG SER 547 -5.640 16.408 -7.086 1107 H GLN 548 H GLN 548 -0.668 16.992 -7.126 1108 HA GLN 548 HA GLN 548 -1.894 19.446 -6.211 1109 HB2 GLN 548 HB2 GLN 548 0.762 18.166 -5.926 1110 HB3 GLN 548 HB3 GLN 548 0.720 19.917 -5.835 1111 HG2 GLN 548 HG2 GLN 548 -0.885 19.795 -3.991 1112 HG3 GLN 548 HG3 GLN 548 -0.873 18.043 -4.103 1113 HE21 GLN 548 HE21 GLN 548 -0.358 18.852 -1.715 1114 HE22 GLN 548 HE22 GLN 548 1.323 18.802 -1.319 1115 H ILE 549 H ILE 549 -0.797 18.408 -9.153 1116 HA ILE 549 HA ILE 549 0.202 20.977 -10.039 1117 HB ILE 549 HB ILE 549 0.268 18.208 -11.277 1118 HG12 ILE 549 HG12 ILE 549 2.548 19.964 -10.411 1119 HG13 ILE 549 HG13 ILE 549 1.849 18.680 -9.441 1120 HG21 ILE 549 HG21 ILE 549 1.344 20.762 -12.470 1121 HG22 ILE 549 HG22 ILE 549 0.006 19.793 -13.088 1122 HG23 ILE 549 HG23 ILE 549 1.644 19.137 -13.090 1123 HD11 ILE 549 HD11 ILE 549 3.206 18.320 -12.107 1124 HD12 ILE 549 HD12 ILE 549 2.524 17.035 -11.108 1125 HD13 ILE 549 HD13 ILE 549 3.911 17.960 -10.531 1126 H SER 550 H SER 550 -1.141 22.340 -10.997 1127 HA SER 550 HA SER 550 -3.656 21.345 -12.155 1128 HB2 SER 550 HB2 SER 550 -2.932 24.096 -11.118 1129 HB3 SER 550 HB3 SER 550 -4.464 23.698 -11.891 1130 HG SER 550 HG SER 550 -3.438 22.511 -9.525 1131 H SER 551 H SER 551 -0.937 23.543 -12.769 1132 HA SER 551 HA SER 551 -1.668 23.555 -15.624 1133 HB2 SER 551 HB2 SER 551 -0.484 25.761 -15.764 1134 HB3 SER 551 HB3 SER 551 -1.919 25.795 -14.741 1135 HG SER 551 HG SER 551 -0.642 26.506 -13.245 Start of MODEL 17 1 H2 PRO 1 H2 PRO 1 19.554 2.657 -6.656 2 H3 PRO 1 H1 PRO 1 20.568 1.380 -6.575 3 HA PRO 1 HA PRO 1 17.760 1.493 -6.587 4 HB2 PRO 1 HB2 PRO 1 18.878 -0.977 -7.845 5 HB3 PRO 1 HB3 PRO 1 17.267 -0.249 -8.020 6 HG2 PRO 1 HG2 PRO 1 19.200 0.116 -9.825 7 HG3 PRO 1 HG3 PRO 1 18.047 1.240 -9.549 8 HD2 PRO 1 HD2 PRO 1 20.790 1.370 -8.832 9 HD3 PRO 1 HD3 PRO 1 19.737 2.612 -8.952 10 H SER 2 H SER 2 17.152 0.577 -4.725 11 HA SER 2 HA SER 2 18.874 -1.435 -3.469 12 HB2 SER 2 HB2 SER 2 19.381 0.730 -2.403 13 HB3 SER 2 HB3 SER 2 17.671 0.956 -2.043 14 HG SER 2 HG SER 2 19.549 -0.548 -0.745 15 H HIS 3 H HIS 3 17.816 -3.104 -2.597 16 HA HIS 3 HA HIS 3 14.930 -3.264 -2.916 17 HB2 HIS 3 HB2 HIS 3 17.006 -5.300 -2.141 18 HB3 HIS 3 HB3 HIS 3 15.316 -5.670 -2.253 19 HD1 HIS 3 HD1 HIS 3 17.220 -7.213 -4.005 20 HD2 HIS 3 HD2 HIS 3 15.426 -3.658 -5.198 21 HE1 HIS 3 HE1 HIS 3 17.270 -7.247 -6.519 22 HE2 HIS 3 HE2 HIS 3 16.239 -5.058 -7.218 23 H SER 4 H SER 4 16.872 -2.131 -0.526 24 HA SER 4 HA SER 4 14.873 -2.606 1.532 25 HB2 SER 4 HB2 SER 4 16.463 -3.400 3.192 26 HB3 SER 4 HB3 SER 4 16.476 -4.485 1.802 27 HG SER 4 HG SER 4 18.381 -3.411 1.104 28 H GLY 5 H GLY 5 14.853 -1.117 3.177 29 HA2 GLY 5 HA2 GLY 5 16.844 1.000 3.249 30 HA3 GLY 5 HA3 GLY 5 15.234 1.486 2.746 31 H ALA 6 H ALA 6 14.167 2.412 4.328 32 HA ALA 6 HA ALA 6 13.921 1.037 6.890 33 HB1 ALA 6 HB1 ALA 6 14.701 3.946 6.690 34 HB2 ALA 6 HB2 ALA 6 15.708 2.626 7.294 35 HB3 ALA 6 HB3 ALA 6 14.254 3.094 8.172 36 H ALA 7 H ALA 7 11.808 0.899 7.383 37 HA ALA 7 HA ALA 7 9.972 3.003 6.488 38 HB1 ALA 7 HB1 ALA 7 9.589 0.082 5.897 39 HB2 ALA 7 HB2 ALA 7 9.935 1.352 4.725 40 HB3 ALA 7 HB3 ALA 7 8.406 1.348 5.600 41 H ILE 8 H ILE 8 7.966 3.088 7.583 42 HA ILE 8 HA ILE 8 7.825 1.585 10.122 43 HB ILE 8 HB ILE 8 6.689 4.324 9.470 44 HG12 ILE 8 HG12 ILE 8 8.738 3.657 11.580 45 HG13 ILE 8 HG13 ILE 8 9.193 4.093 9.948 46 HG21 ILE 8 HG21 ILE 8 5.938 4.434 11.799 47 HG22 ILE 8 HG22 ILE 8 6.490 2.781 12.061 48 HG23 ILE 8 HG23 ILE 8 5.163 3.101 10.943 49 HD11 ILE 8 HD11 ILE 8 8.238 6.279 10.218 50 HD12 ILE 8 HD12 ILE 8 9.328 5.953 11.565 51 HD13 ILE 8 HD13 ILE 8 7.582 5.836 11.795 52 H PHE 9 H PHE 9 5.960 0.497 10.614 53 HA PHE 9 HA PHE 9 3.625 0.699 8.871 54 HB2 PHE 9 HB2 PHE 9 5.085 -1.066 7.887 55 HB3 PHE 9 HB3 PHE 9 5.021 -1.945 9.405 56 HD1 PHE 9 HD1 PHE 9 2.969 -0.743 6.560 57 HD2 PHE 9 HD2 PHE 9 3.236 -3.416 9.864 58 HE1 PHE 9 HE1 PHE 9 0.950 -1.906 5.778 59 HE2 PHE 9 HE2 PHE 9 1.223 -4.586 9.084 60 HZ PHE 9 HZ PHE 9 0.090 -3.854 7.027 61 H GLU 10 H GLU 10 1.911 0.865 10.119 62 HA GLU 10 HA GLU 10 0.474 0.819 11.868 63 HB2 GLU 10 HB2 GLU 10 1.892 -1.741 12.607 64 HB3 GLU 10 HB3 GLU 10 0.364 -1.200 13.283 65 HG2 GLU 10 HG2 GLU 10 -0.651 -1.309 11.066 66 HG3 GLU 10 HG3 GLU 10 0.880 -1.867 10.393 67 H LYS 11 H LYS 11 2.707 2.402 12.139 68 HA LYS 11 HA LYS 11 3.577 3.884 13.609 69 HB2 LYS 11 HB2 LYS 11 1.863 2.496 15.642 70 HB3 LYS 11 HB3 LYS 11 2.810 3.941 15.962 71 HG2 LYS 11 HG2 LYS 11 1.560 5.102 14.160 72 HG3 LYS 11 HG3 LYS 11 0.550 3.665 13.987 73 HD2 LYS 11 HD2 LYS 11 0.877 5.160 16.584 74 HD3 LYS 11 HD3 LYS 11 -0.392 5.482 15.404 75 HE2 LYS 11 HE2 LYS 11 0.067 2.794 16.676 76 HE3 LYS 11 HE3 LYS 11 -1.088 3.982 17.281 77 HZ1 LYS 11 HZ1 LYS 11 -2.249 3.879 15.168 78 HZ2 LYS 11 HZ2 LYS 11 -2.154 2.341 15.862 79 HZ3 LYS 11 HZ3 LYS 11 -1.135 2.752 14.577 80 H VAL 12 H VAL 12 4.231 0.603 13.850 81 HA VAL 12 HA VAL 12 6.446 0.987 15.717 82 HB VAL 12 HB VAL 12 5.450 -1.529 14.340 83 HG11 VAL 12 HG11 VAL 12 6.985 -2.769 15.790 84 HG12 VAL 12 HG12 VAL 12 7.704 -1.244 16.292 85 HG13 VAL 12 HG13 VAL 12 7.805 -1.756 14.610 86 HG21 VAL 12 HG21 VAL 12 3.937 -0.805 16.093 87 HG22 VAL 12 HG22 VAL 12 5.278 -0.724 17.240 88 HG23 VAL 12 HG23 VAL 12 4.780 -2.279 16.573 89 H SER 13 H SER 13 8.417 1.514 15.033 90 HA SER 13 HA SER 13 8.855 1.826 12.200 91 HB2 SER 13 HB2 SER 13 9.553 3.669 13.559 92 HB3 SER 13 HB3 SER 13 10.512 2.615 14.597 93 HG SER 13 HG SER 13 11.097 2.705 11.859 94 H GLY 14 H GLY 14 10.223 0.793 10.913 95 HA2 GLY 14 HA2 GLY 14 12.002 -1.241 11.983 96 HA3 GLY 14 HA3 GLY 14 10.652 -1.829 11.035 97 H ILE 15 H ILE 15 12.247 -2.735 9.672 98 HA ILE 15 HA ILE 15 13.328 -0.809 7.718 99 HB ILE 15 HB ILE 15 14.589 -3.305 8.860 100 HG12 ILE 15 HG12 ILE 15 15.853 -0.582 8.481 101 HG13 ILE 15 HG13 ILE 15 14.995 -1.059 9.930 102 HG21 ILE 15 HG21 ILE 15 16.416 -3.139 7.205 103 HG22 ILE 15 HG22 ILE 15 15.463 -1.951 6.314 104 HG23 ILE 15 HG23 ILE 15 14.866 -3.602 6.499 105 HD11 ILE 15 HD11 ILE 15 16.666 -2.885 10.237 106 HD12 ILE 15 HD12 ILE 15 17.317 -1.250 10.352 107 HD13 ILE 15 HD13 ILE 15 17.572 -2.195 8.887 108 H ILE 16 H ILE 16 12.944 -1.269 5.577 109 HA ILE 16 HA ILE 16 11.097 -3.480 5.046 110 HB ILE 16 HB ILE 16 11.121 -0.734 4.270 111 HG12 ILE 16 HG12 ILE 16 9.299 -3.017 4.374 112 HG13 ILE 16 HG13 ILE 16 9.015 -1.333 4.775 113 HG21 ILE 16 HG21 ILE 16 10.754 -2.370 1.784 114 HG22 ILE 16 HG22 ILE 16 12.345 -1.721 2.208 115 HG23 ILE 16 HG23 ILE 16 10.982 -0.620 1.960 116 HD11 ILE 16 HD11 ILE 16 8.810 -2.617 2.057 117 HD12 ILE 16 HD12 ILE 16 8.728 -0.879 2.333 118 HD13 ILE 16 HD13 ILE 16 7.508 -1.935 3.035 119 H ALA 17 H ALA 17 11.478 -5.027 3.513 120 HA ALA 17 HA ALA 17 13.952 -4.875 1.935 121 HB1 ALA 17 HB1 ALA 17 14.479 -6.193 3.921 122 HB2 ALA 17 HB2 ALA 17 14.502 -7.198 2.469 123 HB3 ALA 17 HB3 ALA 17 13.127 -7.273 3.571 124 H ILE 18 H ILE 18 13.894 -5.913 -0.051 125 HA ILE 18 HA ILE 18 11.255 -6.913 -0.885 126 HB ILE 18 HB ILE 18 13.493 -5.817 -2.606 127 HG12 ILE 18 HG12 ILE 18 10.712 -4.760 -2.130 128 HG13 ILE 18 HG13 ILE 18 12.131 -4.153 -1.311 129 HG21 ILE 18 HG21 ILE 18 12.371 -7.655 -3.745 130 HG22 ILE 18 HG22 ILE 18 12.019 -6.109 -4.515 131 HG23 ILE 18 HG23 ILE 18 10.812 -6.872 -3.478 132 HD11 ILE 18 HD11 ILE 18 13.006 -3.595 -3.633 133 HD12 ILE 18 HD12 ILE 18 11.677 -2.620 -3.007 134 HD13 ILE 18 HD13 ILE 18 11.355 -3.889 -4.196 135 H ASN 19 H ASN 19 11.039 -8.828 -1.872 136 HA ASN 19 HA ASN 19 13.224 -10.762 -1.505 137 HB2 ASN 19 HB2 ASN 19 10.775 -10.820 -0.250 138 HB3 ASN 19 HB3 ASN 19 10.432 -11.751 -1.700 139 HD21 ASN 19 HD21 ASN 19 10.047 -13.398 0.072 140 HD22 ASN 19 HD22 ASN 19 11.397 -14.372 0.534 141 H GLU 20 H GLU 20 14.115 -10.834 -3.553 142 HA GLU 20 HA GLU 20 12.335 -11.843 -5.667 143 HB2 GLU 20 HB2 GLU 20 14.605 -9.894 -5.870 144 HB3 GLU 20 HB3 GLU 20 14.189 -10.889 -7.244 145 HG2 GLU 20 HG2 GLU 20 11.891 -9.507 -6.097 146 HG3 GLU 20 HG3 GLU 20 13.160 -8.421 -6.642 147 H ASP 21 H ASP 21 13.716 -13.117 -7.391 148 HA ASP 21 HA ASP 21 14.813 -15.057 -7.856 149 HB2 ASP 21 HB2 ASP 21 16.454 -14.457 -5.411 150 HB3 ASP 21 HB3 ASP 21 16.788 -15.742 -6.556 151 H VAL 22 H VAL 22 12.862 -14.579 -5.421 152 HA VAL 22 HA VAL 22 12.772 -17.309 -4.376 153 HB VAL 22 HB VAL 22 11.054 -16.337 -2.765 154 HG11 VAL 22 HG11 VAL 22 13.823 -15.150 -2.687 155 HG12 VAL 22 HG12 VAL 22 13.361 -16.749 -2.101 156 HG13 VAL 22 HG13 VAL 22 12.725 -15.303 -1.315 157 HG21 VAL 22 HG21 VAL 22 12.062 -13.673 -3.796 158 HG22 VAL 22 HG22 VAL 22 10.994 -13.912 -2.415 159 HG23 VAL 22 HG23 VAL 22 10.437 -14.313 -4.039 160 H SER 23 H SER 23 10.207 -17.802 -3.828 161 HA SER 23 HA SER 23 8.772 -17.937 -6.330 162 HB2 SER 23 HB2 SER 23 7.014 -19.000 -5.005 163 HB3 SER 23 HB3 SER 23 8.569 -19.649 -4.499 164 HG SER 23 HG SER 23 6.861 -18.792 -2.884 165 HA PRO 24 HA PRO 24 7.203 -14.493 -7.367 166 HB2 PRO 24 HB2 PRO 24 4.586 -14.268 -5.918 167 HB3 PRO 24 HB3 PRO 24 4.953 -13.952 -7.620 168 HG2 PRO 24 HG2 PRO 24 3.845 -16.199 -6.984 169 HG3 PRO 24 HG3 PRO 24 5.073 -16.221 -8.061 170 HD2 PRO 24 HD2 PRO 24 5.144 -17.026 -5.312 171 HD3 PRO 24 HD3 PRO 24 5.913 -17.719 -6.575 172 H ALA 25 H ALA 25 7.949 -12.558 -6.939 173 HA ALA 25 HA ALA 25 9.310 -12.150 -4.615 174 HB1 ALA 25 HB1 ALA 25 8.514 -10.074 -6.643 175 HB2 ALA 25 HB2 ALA 25 9.949 -11.100 -6.690 176 HB3 ALA 25 HB3 ALA 25 9.778 -9.879 -5.429 177 H GLU 26 H GLU 26 9.138 -10.983 -2.783 178 HA GLU 26 HA GLU 26 6.547 -9.788 -2.206 179 HB2 GLU 26 HB2 GLU 26 7.537 -11.158 0.127 180 HB3 GLU 26 HB3 GLU 26 5.981 -11.243 -0.631 181 HG2 GLU 26 HG2 GLU 26 6.627 -13.020 -2.026 182 HG3 GLU 26 HG3 GLU 26 8.326 -12.803 -1.611 183 H LEU 27 H LEU 27 6.444 -8.127 -0.843 184 HA LEU 27 HA LEU 27 8.990 -6.840 -0.202 185 HB2 LEU 27 HB2 LEU 27 7.432 -5.615 -1.599 186 HB3 LEU 27 HB3 LEU 27 6.161 -5.825 -0.460 187 HG LEU 27 HG LEU 27 7.395 -4.319 1.086 188 HD11 LEU 27 HD11 LEU 27 9.109 -3.629 -1.258 189 HD12 LEU 27 HD12 LEU 27 9.628 -4.541 0.159 190 HD13 LEU 27 HD13 LEU 27 9.115 -2.864 0.333 191 HD21 LEU 27 HD21 LEU 27 6.468 -3.231 -1.538 192 HD22 LEU 27 HD22 LEU 27 6.886 -2.207 -0.165 193 HD23 LEU 27 HD23 LEU 27 5.567 -3.365 -0.028 194 H THR 28 H THR 28 9.706 -7.344 1.698 195 HA THR 28 HA THR 28 7.805 -8.094 3.814 196 HB THR 28 HB THR 28 10.737 -8.815 3.527 197 HG1 THR 28 HG1 THR 28 9.751 -10.942 3.112 198 HG21 THR 28 HG21 THR 28 8.632 -9.773 5.480 199 HG22 THR 28 HG22 THR 28 10.102 -8.864 5.869 200 HG23 THR 28 HG23 THR 28 10.215 -10.520 5.265 201 H TRP 29 H TRP 29 7.387 -6.385 5.088 202 HA TRP 29 HA TRP 29 9.509 -4.650 6.032 203 HB2 TRP 29 HB2 TRP 29 7.345 -3.594 5.757 204 HB3 TRP 29 HB3 TRP 29 6.569 -4.814 6.748 205 HD1 TRP 29 HD1 TRP 29 8.665 -1.640 7.013 206 HE1 TRP 29 HE1 TRP 29 8.665 -0.805 9.448 207 HE3 TRP 29 HE3 TRP 29 6.316 -5.609 9.255 208 HZ2 TRP 29 HZ2 TRP 29 7.778 -1.692 11.971 209 HZ3 TRP 29 HZ3 TRP 29 5.938 -5.525 11.691 210 HH2 TRP 29 HH2 TRP 29 6.655 -3.600 13.011 211 H ARG 30 H ARG 30 10.599 -4.865 7.858 212 HA ARG 30 HA ARG 30 9.635 -6.775 9.869 213 HB2 ARG 30 HB2 ARG 30 12.500 -6.281 9.066 214 HB3 ARG 30 HB3 ARG 30 11.984 -7.252 10.428 215 HG2 ARG 30 HG2 ARG 30 10.879 -8.815 8.934 216 HG3 ARG 30 HG3 ARG 30 11.356 -7.833 7.555 217 HD2 ARG 30 HD2 ARG 30 12.912 -9.608 7.697 218 HD3 ARG 30 HD3 ARG 30 13.725 -8.165 8.267 219 HE ARG 30 HE ARG 30 13.844 -9.097 10.387 220 HH11 ARG 30 HH11 ARG 30 11.885 -11.155 8.318 221 HH12 ARG 30 HH12 ARG 30 11.866 -12.468 9.449 222 HH21 ARG 30 HH21 ARG 30 13.797 -10.832 11.854 223 HH22 ARG 30 HH22 ARG 30 12.949 -12.284 11.444 224 H SER 31 H SER 31 10.443 -6.309 12.073 225 HA SER 31 HA SER 31 10.224 -3.530 12.716 226 HB2 SER 31 HB2 SER 31 10.602 -4.292 15.063 227 HB3 SER 31 HB3 SER 31 9.348 -5.214 14.238 228 HG SER 31 HG SER 31 10.939 -6.437 15.497 229 H THR 32 H THR 32 12.012 -2.485 14.221 230 HA THR 32 HA THR 32 14.343 -2.174 12.711 231 HB THR 32 HB THR 32 14.111 -1.568 15.658 232 HG1 THR 32 HG1 THR 32 13.739 0.393 13.699 233 HG21 THR 32 HG21 THR 32 15.867 -0.319 13.538 234 HG22 THR 32 HG22 THR 32 16.411 -1.513 14.718 235 HG23 THR 32 HG23 THR 32 15.847 0.072 15.259 236 H ASP 33 H ASP 33 13.694 -4.438 15.310 237 HA ASP 33 HA ASP 33 16.367 -5.614 14.997 238 HB2 ASP 33 HB2 ASP 33 14.155 -6.353 16.932 239 HB3 ASP 33 HB3 ASP 33 15.774 -7.042 16.909 240 H GLY 34 H GLY 34 13.003 -6.125 14.304 241 HA2 GLY 34 HA2 GLY 34 12.247 -7.333 12.437 242 HA3 GLY 34 HA3 GLY 34 13.654 -8.373 12.517 243 H ASP 35 H ASP 35 12.033 -7.737 15.494 244 HA ASP 35 HA ASP 35 11.163 -10.420 15.869 245 HB2 ASP 35 HB2 ASP 35 10.154 -9.580 17.944 246 HB3 ASP 35 HB3 ASP 35 11.782 -8.944 17.744 247 H LYS 36 H LYS 36 9.647 -7.529 14.620 248 HA LYS 36 HA LYS 36 7.139 -9.007 14.153 249 HB2 LYS 36 HB2 LYS 36 7.700 -6.045 14.183 250 HB3 LYS 36 HB3 LYS 36 6.171 -6.723 13.699 251 HG2 LYS 36 HG2 LYS 36 5.930 -7.702 15.940 252 HG3 LYS 36 HG3 LYS 36 7.419 -6.879 16.416 253 HD2 LYS 36 HD2 LYS 36 5.982 -4.874 15.223 254 HD3 LYS 36 HD3 LYS 36 4.733 -5.827 16.027 255 HE2 LYS 36 HE2 LYS 36 5.828 -3.909 17.340 256 HE3 LYS 36 HE3 LYS 36 5.657 -5.470 18.136 257 HZ1 LYS 36 HZ1 LYS 36 8.133 -4.451 16.843 258 HZ2 LYS 36 HZ2 LYS 36 7.973 -5.941 17.627 259 HZ3 LYS 36 HZ3 LYS 36 7.845 -4.505 18.510 260 H VAL 37 H VAL 37 6.337 -9.157 12.055 261 HA VAL 37 HA VAL 37 7.899 -8.064 9.868 262 HB VAL 37 HB VAL 37 9.174 -10.065 10.461 263 HG11 VAL 37 HG11 VAL 37 7.464 -11.484 11.408 264 HG12 VAL 37 HG12 VAL 37 8.301 -12.329 10.105 265 HG13 VAL 37 HG13 VAL 37 6.694 -11.655 9.830 266 HG21 VAL 37 HG21 VAL 37 7.877 -10.732 7.851 267 HG22 VAL 37 HG22 VAL 37 9.584 -10.803 8.306 268 HG23 VAL 37 HG23 VAL 37 8.801 -9.245 8.045 269 H HIS 38 H HIS 38 6.738 -7.687 8.078 270 HA HIS 38 HA HIS 38 4.162 -9.063 7.667 271 HB2 HIS 38 HB2 HIS 38 4.756 -6.106 7.384 272 HB3 HIS 38 HB3 HIS 38 3.339 -6.865 6.673 273 HD1 HIS 38 HD1 HIS 38 1.419 -7.510 8.257 274 HD2 HIS 38 HD2 HIS 38 4.682 -5.809 10.187 275 HE1 HIS 38 HE1 HIS 38 0.625 -6.988 10.584 276 HE2 HIS 38 HE2 HIS 38 2.584 -5.865 11.700 277 H THR 39 H THR 39 3.579 -9.384 5.432 278 HA THR 39 HA THR 39 5.834 -9.091 3.555 279 HB THR 39 HB THR 39 4.200 -11.602 3.970 280 HG1 THR 39 HG1 THR 39 6.128 -12.434 4.801 281 HG21 THR 39 HG21 THR 39 5.708 -12.667 2.377 282 HG22 THR 39 HG22 THR 39 6.552 -11.138 2.139 283 HG23 THR 39 HG23 THR 39 4.875 -11.310 1.612 284 H VAL 40 H VAL 40 5.319 -8.249 1.629 285 HA VAL 40 HA VAL 40 2.523 -8.402 0.678 286 HB VAL 40 HB VAL 40 4.647 -6.312 0.145 287 HG11 VAL 40 HG11 VAL 40 3.155 -5.044 -1.151 288 HG12 VAL 40 HG12 VAL 40 1.775 -6.023 -0.659 289 HG13 VAL 40 HG13 VAL 40 2.978 -6.696 -1.760 290 HG21 VAL 40 HG21 VAL 40 3.786 -6.142 2.373 291 HG22 VAL 40 HG22 VAL 40 2.134 -6.117 1.757 292 HG23 VAL 40 HG23 VAL 40 3.234 -4.787 1.391 293 H VAL 41 H VAL 41 2.456 -10.113 -0.775 294 HA VAL 41 HA VAL 41 4.593 -10.653 -2.649 295 HB VAL 41 HB VAL 41 1.775 -11.807 -2.487 296 HG11 VAL 41 HG11 VAL 41 2.615 -13.592 -3.979 297 HG12 VAL 41 HG12 VAL 41 4.134 -12.717 -4.156 298 HG13 VAL 41 HG13 VAL 41 2.637 -12.012 -4.762 299 HG21 VAL 41 HG21 VAL 41 3.174 -12.381 -0.555 300 HG22 VAL 41 HG22 VAL 41 4.427 -12.989 -1.640 301 HG23 VAL 41 HG23 VAL 41 2.860 -13.795 -1.561 302 H LEU 42 H LEU 42 4.804 -9.678 -4.614 303 HA LEU 42 HA LEU 42 3.007 -7.499 -5.141 304 HB2 LEU 42 HB2 LEU 42 5.579 -8.330 -6.464 305 HB3 LEU 42 HB3 LEU 42 4.596 -7.047 -7.109 306 HG LEU 42 HG LEU 42 6.100 -5.805 -5.937 307 HD11 LEU 42 HD11 LEU 42 5.213 -5.134 -3.737 308 HD12 LEU 42 HD12 LEU 42 4.071 -6.460 -3.831 309 HD13 LEU 42 HD13 LEU 42 4.001 -5.158 -5.014 310 HD21 LEU 42 HD21 LEU 42 7.190 -6.429 -3.854 311 HD22 LEU 42 HD22 LEU 42 7.420 -7.660 -5.096 312 HD23 LEU 42 HD23 LEU 42 6.248 -7.919 -3.805 313 H SER 43 H SER 43 3.365 -10.679 -6.481 314 HA SER 43 HA SER 43 1.980 -10.197 -8.937 315 HB2 SER 43 HB2 SER 43 1.746 -12.603 -9.090 316 HB3 SER 43 HB3 SER 43 3.361 -12.243 -8.468 317 HG SER 43 HG SER 43 1.970 -12.477 -6.336 318 H THR 44 H THR 44 0.997 -9.826 -5.828 319 HA THR 44 HA THR 44 -1.848 -10.270 -6.464 320 HB THR 44 HB THR 44 -2.306 -10.382 -4.078 321 HG1 THR 44 HG1 THR 44 -0.909 -9.318 -2.877 322 HG21 THR 44 HG21 THR 44 -1.127 -12.449 -3.475 323 HG22 THR 44 HG22 THR 44 0.008 -12.173 -4.800 324 HG23 THR 44 HG23 THR 44 -1.696 -12.487 -5.145 325 H ILE 45 H ILE 45 0.362 -7.961 -6.597 326 HA ILE 45 HA ILE 45 -1.301 -5.783 -5.501 327 HB ILE 45 HB ILE 45 1.685 -5.843 -6.026 328 HG12 ILE 45 HG12 ILE 45 1.073 -7.156 -4.042 329 HG13 ILE 45 HG13 ILE 45 1.978 -5.724 -3.592 330 HG21 ILE 45 HG21 ILE 45 1.894 -3.647 -5.137 331 HG22 ILE 45 HG22 ILE 45 0.188 -3.595 -4.693 332 HG23 ILE 45 HG23 ILE 45 0.656 -3.597 -6.393 333 HD11 ILE 45 HD11 ILE 45 -1.015 -6.021 -3.345 334 HD12 ILE 45 HD12 ILE 45 -0.043 -4.660 -2.780 335 HD13 ILE 45 HD13 ILE 45 0.140 -6.247 -2.038 336 H ASP 46 H ASP 46 -1.881 -4.095 -6.811 337 HA ASP 46 HA ASP 46 -1.361 -4.452 -9.686 338 HB2 ASP 46 HB2 ASP 46 -3.712 -4.739 -8.997 339 HB3 ASP 46 HB3 ASP 46 -3.718 -3.127 -8.322 340 H LYS 47 H LYS 47 -1.690 -1.931 -7.166 341 HA LYS 47 HA LYS 47 -0.117 -0.134 -8.856 342 HB2 LYS 47 HB2 LYS 47 -2.591 0.521 -7.232 343 HB3 LYS 47 HB3 LYS 47 -1.536 1.734 -7.941 344 HG2 LYS 47 HG2 LYS 47 -1.977 0.768 -10.135 345 HG3 LYS 47 HG3 LYS 47 -3.098 -0.337 -9.383 346 HD2 LYS 47 HD2 LYS 47 -4.520 1.502 -8.672 347 HD3 LYS 47 HD3 LYS 47 -3.359 2.666 -9.306 348 HE2 LYS 47 HE2 LYS 47 -5.120 2.525 -10.887 349 HE3 LYS 47 HE3 LYS 47 -3.743 1.677 -11.578 350 HZ1 LYS 47 HZ1 LYS 47 -6.056 0.382 -10.239 351 HZ2 LYS 47 HZ2 LYS 47 -4.723 -0.423 -10.896 352 HZ3 LYS 47 HZ3 LYS 47 -5.777 0.427 -11.908 353 H LEU 48 H LEU 48 0.794 1.743 -7.623 354 HA LEU 48 HA LEU 48 1.277 1.350 -4.764 355 HB2 LEU 48 HB2 LEU 48 3.735 1.891 -6.376 356 HB3 LEU 48 HB3 LEU 48 3.577 1.069 -4.843 357 HG LEU 48 HG LEU 48 2.627 -0.896 -6.087 358 HD11 LEU 48 HD11 LEU 48 2.493 0.866 -8.211 359 HD12 LEU 48 HD12 LEU 48 2.320 -0.883 -8.293 360 HD13 LEU 48 HD13 LEU 48 3.897 -0.140 -8.580 361 HD21 LEU 48 HD21 LEU 48 5.390 -0.059 -6.887 362 HD22 LEU 48 HD22 LEU 48 4.766 -1.701 -6.732 363 HD23 LEU 48 HD23 LEU 48 4.958 -0.698 -5.302 364 H GLN 49 H GLN 49 1.201 3.340 -3.792 365 HA GLN 49 HA GLN 49 1.740 5.723 -5.442 366 HB2 GLN 49 HB2 GLN 49 -0.664 5.306 -3.629 367 HB3 GLN 49 HB3 GLN 49 -0.210 6.850 -4.327 368 HG2 GLN 49 HG2 GLN 49 -1.017 4.386 -5.852 369 HG3 GLN 49 HG3 GLN 49 -2.016 5.808 -5.595 370 HE21 GLN 49 HE21 GLN 49 -1.277 4.602 -8.129 371 HE22 GLN 49 HE22 GLN 49 -0.376 5.783 -9.011 372 H ALA 50 H ALA 50 3.188 7.063 -4.532 373 HA ALA 50 HA ALA 50 3.662 6.847 -1.630 374 HB1 ALA 50 HB1 ALA 50 5.498 5.982 -2.966 375 HB2 ALA 50 HB2 ALA 50 5.995 7.421 -2.078 376 HB3 ALA 50 HB3 ALA 50 5.627 7.530 -3.802 377 H THR 51 H THR 51 4.283 8.709 -0.447 378 HA THR 51 HA THR 51 2.988 11.163 -1.025 379 HB THR 51 HB THR 51 4.349 12.083 0.880 380 HG1 THR 51 HG1 THR 51 6.190 10.724 0.635 381 HG21 THR 51 HG21 THR 51 2.226 11.148 1.439 382 HG22 THR 51 HG22 THR 51 3.388 10.501 2.602 383 HG23 THR 51 HG23 THR 51 2.835 9.501 1.263 384 HA PRO 52 HA PRO 52 5.993 12.957 -4.027 385 HB2 PRO 52 HB2 PRO 52 4.672 15.437 -3.052 386 HB3 PRO 52 HB3 PRO 52 4.963 14.897 -4.707 387 HG2 PRO 52 HG2 PRO 52 2.582 14.714 -3.569 388 HG3 PRO 52 HG3 PRO 52 3.085 13.632 -4.684 389 HD2 PRO 52 HD2 PRO 52 2.711 13.247 -1.940 390 HD3 PRO 52 HD3 PRO 52 2.711 12.129 -3.130 391 H ALA 53 H ALA 53 7.693 14.628 -3.945 392 HA ALA 53 HA ALA 53 9.044 14.701 -1.413 393 HB1 ALA 53 HB1 ALA 53 10.814 15.875 -2.611 394 HB2 ALA 53 HB2 ALA 53 9.759 16.050 -4.014 395 HB3 ALA 53 HB3 ALA 53 10.281 14.446 -3.496 396 H SER 54 H SER 54 6.602 16.560 -2.661 397 HA SER 54 HA SER 54 7.353 18.982 -1.186 398 HB2 SER 54 HB2 SER 54 5.512 20.060 -2.361 399 HB3 SER 54 HB3 SER 54 6.606 19.292 -3.501 400 HG SER 54 HG SER 54 4.595 17.644 -2.669 401 H SER 55 H SER 55 5.381 16.201 -0.991 402 HA SER 55 HA SER 55 3.210 17.116 0.545 403 HB2 SER 55 HB2 SER 55 3.119 14.967 -0.586 404 HB3 SER 55 HB3 SER 55 4.439 14.366 0.411 405 HG SER 55 HG SER 55 2.699 13.637 1.406 406 H GLU 56 H GLU 56 2.803 17.241 2.685 407 HA GLU 56 HA GLU 56 4.822 17.614 4.619 408 HB2 GLU 56 HB2 GLU 56 2.917 17.449 6.230 409 HB3 GLU 56 HB3 GLU 56 2.751 18.671 4.980 410 HG2 GLU 56 HG2 GLU 56 1.531 15.939 4.793 411 HG3 GLU 56 HG3 GLU 56 0.720 17.303 5.524 412 H LYS 57 H LYS 57 3.198 14.872 3.449 413 HA LYS 57 HA LYS 57 3.631 13.170 5.738 414 HB2 LYS 57 HB2 LYS 57 1.960 13.240 3.375 415 HB3 LYS 57 HB3 LYS 57 2.634 11.668 3.650 416 HG2 LYS 57 HG2 LYS 57 1.212 13.179 5.782 417 HG3 LYS 57 HG3 LYS 57 0.364 12.169 4.639 418 HD2 LYS 57 HD2 LYS 57 1.602 10.232 5.392 419 HD3 LYS 57 HD3 LYS 57 2.513 11.241 6.519 420 HE2 LYS 57 HE2 LYS 57 0.683 10.093 7.625 421 HE3 LYS 57 HE3 LYS 57 0.473 11.842 7.673 422 HZ1 LYS 57 HZ1 LYS 57 -1.601 10.717 7.129 423 HZ2 LYS 57 HZ2 LYS 57 -0.888 10.011 5.767 424 HZ3 LYS 57 HZ3 LYS 57 -1.090 11.690 5.843 425 H MET 58 H MET 58 5.012 11.515 5.893 426 HA MET 58 HA MET 58 6.638 10.818 3.532 427 HB2 MET 58 HB2 MET 58 7.324 10.377 6.444 428 HB3 MET 58 HB3 MET 58 8.359 10.034 5.081 429 HG2 MET 58 HG2 MET 58 8.439 12.433 4.553 430 HG3 MET 58 HG3 MET 58 7.417 12.765 5.948 431 HE1 MET 58 HE1 MET 58 9.662 12.269 8.992 432 HE2 MET 58 HE2 MET 58 8.543 11.048 8.382 433 HE3 MET 58 HE3 MET 58 8.092 12.753 8.336 434 H MET 59 H MET 59 5.364 9.245 2.655 435 HA MET 59 HA MET 59 5.047 6.755 4.069 436 HB2 MET 59 HB2 MET 59 2.770 8.533 3.347 437 HB3 MET 59 HB3 MET 59 2.530 6.806 3.406 438 HG2 MET 59 HG2 MET 59 3.396 6.943 5.797 439 HG3 MET 59 HG3 MET 59 3.267 8.682 5.625 440 HE1 MET 59 HE1 MET 59 1.947 7.005 7.910 441 HE2 MET 59 HE2 MET 59 1.121 5.675 7.083 442 HE3 MET 59 HE3 MET 59 0.180 6.957 7.854 443 H LEU 60 H LEU 60 4.116 5.046 2.744 444 HA LEU 60 HA LEU 60 4.225 5.442 -0.151 445 HB2 LEU 60 HB2 LEU 60 6.442 4.760 0.242 446 HB3 LEU 60 HB3 LEU 60 5.969 3.611 1.467 447 HG LEU 60 HG LEU 60 4.850 2.330 -0.493 448 HD11 LEU 60 HD11 LEU 60 5.105 4.196 -2.070 449 HD12 LEU 60 HD12 LEU 60 5.773 2.667 -2.638 450 HD13 LEU 60 HD13 LEU 60 6.853 3.937 -2.037 451 HD21 LEU 60 HD21 LEU 60 6.804 1.449 0.645 452 HD22 LEU 60 HD22 LEU 60 7.854 2.502 -0.312 453 HD23 LEU 60 HD23 LEU 60 6.931 1.208 -1.103 454 H ARG 61 H ARG 61 2.431 4.560 -0.991 455 HA ARG 61 HA ARG 61 0.945 2.607 0.614 456 HB2 ARG 61 HB2 ARG 61 -0.232 4.674 -0.024 457 HB3 ARG 61 HB3 ARG 61 -0.012 4.295 -1.714 458 HG2 ARG 61 HG2 ARG 61 -1.480 2.442 -1.574 459 HG3 ARG 61 HG3 ARG 61 -1.520 2.532 0.173 460 HD2 ARG 61 HD2 ARG 61 -3.569 3.423 -0.554 461 HD3 ARG 61 HD3 ARG 61 -2.581 4.787 -0.061 462 HE ARG 61 HE ARG 61 -2.259 4.380 -2.816 463 HH11 ARG 61 HH11 ARG 61 -4.700 5.488 -0.544 464 HH12 ARG 61 HH12 ARG 61 -5.451 6.551 -1.687 465 HH21 ARG 61 HH21 ARG 61 -3.270 5.790 -4.296 466 HH22 ARG 61 HH22 ARG 61 -4.645 6.718 -3.805 467 H LEU 62 H LEU 62 0.135 0.720 -0.246 468 HA LEU 62 HA LEU 62 1.161 -0.160 -2.862 469 HB2 LEU 62 HB2 LEU 62 1.390 -1.413 -0.170 470 HB3 LEU 62 HB3 LEU 62 1.118 -2.474 -1.528 471 HG LEU 62 HG LEU 62 3.448 -2.477 -1.027 472 HD11 LEU 62 HD11 LEU 62 2.979 -0.786 -3.461 473 HD12 LEU 62 HD12 LEU 62 2.864 -2.545 -3.370 474 HD13 LEU 62 HD13 LEU 62 4.417 -1.749 -3.120 475 HD21 LEU 62 HD21 LEU 62 3.540 -0.299 0.174 476 HD22 LEU 62 HD22 LEU 62 3.542 0.515 -1.389 477 HD23 LEU 62 HD23 LEU 62 4.873 -0.561 -0.955 478 H ILE 63 H ILE 63 -0.612 -0.287 -4.091 479 HA ILE 63 HA ILE 63 -3.219 -0.878 -2.946 480 HB ILE 63 HB ILE 63 -2.365 -0.038 -5.715 481 HG12 ILE 63 HG12 ILE 63 -4.151 1.451 -3.781 482 HG13 ILE 63 HG13 ILE 63 -2.436 1.759 -3.930 483 HG21 ILE 63 HG21 ILE 63 -4.268 -1.502 -5.995 484 HG22 ILE 63 HG22 ILE 63 -4.736 0.167 -6.326 485 HG23 ILE 63 HG23 ILE 63 -5.175 -0.584 -4.791 486 HD11 ILE 63 HD11 ILE 63 -2.773 2.453 -6.246 487 HD12 ILE 63 HD12 ILE 63 -3.700 3.419 -5.106 488 HD13 ILE 63 HD13 ILE 63 -4.509 2.170 -6.065 489 H GLY 64 H GLY 64 -4.446 -2.685 -3.381 490 HA2 GLY 64 HA2 GLY 64 -2.871 -4.995 -4.235 491 HA3 GLY 64 HA3 GLY 64 -4.298 -5.041 -3.223 492 H LYS 65 H LYS 65 -3.879 -6.765 -5.333 493 HA LYS 65 HA LYS 65 -5.449 -5.949 -7.605 494 HB2 LYS 65 HB2 LYS 65 -3.961 -8.382 -6.778 495 HB3 LYS 65 HB3 LYS 65 -5.255 -8.584 -7.954 496 HG2 LYS 65 HG2 LYS 65 -4.226 -7.051 -9.459 497 HG3 LYS 65 HG3 LYS 65 -3.022 -6.596 -8.253 498 HD2 LYS 65 HD2 LYS 65 -1.988 -8.719 -8.362 499 HD3 LYS 65 HD3 LYS 65 -3.310 -9.390 -9.311 500 HE2 LYS 65 HE2 LYS 65 -2.723 -7.781 -11.127 501 HE3 LYS 65 HE3 LYS 65 -1.337 -7.270 -10.168 502 HZ1 LYS 65 HZ1 LYS 65 -0.724 -8.890 -11.851 503 HZ2 LYS 65 HZ2 LYS 65 -1.815 -10.013 -11.209 504 HZ3 LYS 65 HZ3 LYS 65 -0.473 -9.524 -10.301 505 H VAL 66 H VAL 66 -7.576 -6.304 -7.962 506 HA VAL 66 HA VAL 66 -9.123 -6.994 -5.601 507 HB VAL 66 HB VAL 66 -10.483 -5.992 -8.056 508 HG11 VAL 66 HG11 VAL 66 -10.743 -5.319 -5.134 509 HG12 VAL 66 HG12 VAL 66 -11.742 -6.465 -6.030 510 HG13 VAL 66 HG13 VAL 66 -11.800 -4.746 -6.423 511 HG21 VAL 66 HG21 VAL 66 -8.547 -4.546 -8.068 512 HG22 VAL 66 HG22 VAL 66 -8.743 -4.219 -6.347 513 HG23 VAL 66 HG23 VAL 66 -9.952 -3.644 -7.498 514 H ASP 67 H ASP 67 -10.416 -8.674 -5.418 515 HA ASP 67 HA ASP 67 -11.023 -10.326 -7.774 516 HB2 ASP 67 HB2 ASP 67 -9.934 -11.453 -5.797 517 HB3 ASP 67 HB3 ASP 67 -11.368 -11.069 -4.851 518 H GLU 68 H GLU 68 -12.657 -8.964 -8.567 519 HA GLU 68 HA GLU 68 -14.902 -8.283 -6.855 520 HB2 GLU 68 HB2 GLU 68 -14.307 -7.635 -9.748 521 HB3 GLU 68 HB3 GLU 68 -15.771 -7.124 -8.922 522 HG2 GLU 68 HG2 GLU 68 -14.265 -5.968 -7.237 523 HG3 GLU 68 HG3 GLU 68 -12.940 -6.291 -8.355 524 H SER 69 H SER 69 -14.120 -11.010 -8.549 525 HA SER 69 HA SER 69 -16.701 -11.689 -9.625 526 HB2 SER 69 HB2 SER 69 -15.738 -13.889 -10.044 527 HB3 SER 69 HB3 SER 69 -14.586 -12.640 -10.518 528 HG SER 69 HG SER 69 -14.357 -13.504 -7.908 529 H LYS 70 H LYS 70 -15.737 -11.307 -6.550 530 HA LYS 70 HA LYS 70 -17.418 -13.451 -5.425 531 HB2 LYS 70 HB2 LYS 70 -15.158 -11.825 -4.250 532 HB3 LYS 70 HB3 LYS 70 -16.202 -12.822 -3.263 533 HG2 LYS 70 HG2 LYS 70 -15.543 -14.783 -4.602 534 HG3 LYS 70 HG3 LYS 70 -14.439 -13.767 -5.514 535 HD2 LYS 70 HD2 LYS 70 -13.171 -13.303 -3.468 536 HD3 LYS 70 HD3 LYS 70 -14.310 -14.254 -2.520 537 HE2 LYS 70 HE2 LYS 70 -13.608 -16.279 -3.634 538 HE3 LYS 70 HE3 LYS 70 -12.593 -15.366 -4.746 539 HZ1 LYS 70 HZ1 LYS 70 -11.200 -14.708 -2.889 540 HZ2 LYS 70 HZ2 LYS 70 -11.293 -16.394 -2.985 541 HZ3 LYS 70 HZ3 LYS 70 -12.181 -15.564 -1.809 542 H LYS 71 H LYS 71 -18.527 -11.141 -6.603 543 HA LYS 71 HA LYS 71 -19.062 -8.874 -5.222 544 HB2 LYS 71 HB2 LYS 71 -21.036 -10.450 -6.889 545 HB3 LYS 71 HB3 LYS 71 -21.285 -8.797 -6.354 546 HG2 LYS 71 HG2 LYS 71 -19.336 -8.079 -7.627 547 HG3 LYS 71 HG3 LYS 71 -19.091 -9.728 -8.181 548 HD2 LYS 71 HD2 LYS 71 -21.288 -9.694 -9.235 549 HD3 LYS 71 HD3 LYS 71 -21.528 -8.022 -8.714 550 HE2 LYS 71 HE2 LYS 71 -19.551 -7.380 -10.027 551 HE3 LYS 71 HE3 LYS 71 -19.382 -9.046 -10.581 552 HZ1 LYS 71 HZ1 LYS 71 -21.718 -7.278 -11.095 553 HZ2 LYS 71 HZ2 LYS 71 -21.558 -8.876 -11.623 554 HZ3 LYS 71 HZ3 LYS 71 -20.519 -7.683 -12.218 555 H ARG 72 H ARG 72 -19.926 -8.326 -3.362 556 HA ARG 72 HA ARG 72 -21.396 -10.349 -1.823 557 HB2 ARG 72 HB2 ARG 72 -19.283 -9.594 -0.853 558 HB3 ARG 72 HB3 ARG 72 -19.805 -7.926 -0.966 559 HG2 ARG 72 HG2 ARG 72 -21.424 -8.211 0.747 560 HG3 ARG 72 HG3 ARG 72 -21.230 -9.965 0.723 561 HD2 ARG 72 HD2 ARG 72 -20.082 -9.010 2.641 562 HD3 ARG 72 HD3 ARG 72 -18.921 -9.710 1.513 563 HE ARG 72 HE ARG 72 -18.142 -7.576 1.011 564 HH11 ARG 72 HH11 ARG 72 -20.877 -7.349 3.206 565 HH12 ARG 72 HH12 ARG 72 -20.576 -5.688 3.590 566 HH21 ARG 72 HH21 ARG 72 -17.769 -5.403 1.530 567 HH22 ARG 72 HH22 ARG 72 -18.818 -4.589 2.642 568 H LYS 73 H LYS 73 -23.236 -9.706 -0.571 569 HA LYS 73 HA LYS 73 -24.481 -7.155 -1.359 570 HB2 LYS 73 HB2 LYS 73 -25.846 -9.846 -1.083 571 HB3 LYS 73 HB3 LYS 73 -26.699 -8.319 -1.238 572 HG2 LYS 73 HG2 LYS 73 -25.572 -7.958 -3.408 573 HG3 LYS 73 HG3 LYS 73 -24.876 -9.567 -3.256 574 HD2 LYS 73 HD2 LYS 73 -27.139 -10.514 -3.150 575 HD3 LYS 73 HD3 LYS 73 -27.809 -8.898 -3.376 576 HE2 LYS 73 HE2 LYS 73 -26.671 -8.734 -5.544 577 HE3 LYS 73 HE3 LYS 73 -26.008 -10.353 -5.310 578 HZ1 LYS 73 HZ1 LYS 73 -27.953 -10.389 -6.743 579 HZ2 LYS 73 HZ2 LYS 73 -28.897 -9.687 -5.529 580 HZ3 LYS 73 HZ3 LYS 73 -28.257 -11.237 -5.311 581 H ASP 74 H ASP 74 -25.555 -6.055 0.244 582 HA ASP 74 HA ASP 74 -24.743 -6.706 2.933 583 HB2 ASP 74 HB2 ASP 74 -25.597 -4.466 3.517 584 HB3 ASP 74 HB3 ASP 74 -24.496 -4.411 2.149 585 H ASN 75 H ASN 75 -26.731 -5.683 4.562 586 HA ASN 75 HA ASN 75 -28.297 -7.934 5.043 587 HB2 ASN 75 HB2 ASN 75 -28.531 -5.091 5.998 588 HB3 ASN 75 HB3 ASN 75 -29.630 -6.348 6.552 589 HD21 ASN 75 HD21 ASN 75 -27.833 -4.836 8.159 590 HD22 ASN 75 HD22 ASN 75 -26.704 -5.940 8.861 591 H GLU 76 H GLU 76 -29.065 -5.126 3.079 592 HA GLU 76 HA GLU 76 -31.891 -5.831 2.959 593 HB2 GLU 76 HB2 GLU 76 -30.324 -3.492 1.884 594 HB3 GLU 76 HB3 GLU 76 -32.020 -3.747 1.503 595 HG2 GLU 76 HG2 GLU 76 -32.572 -3.630 3.887 596 HG3 GLU 76 HG3 GLU 76 -30.869 -3.377 4.263 597 H GLY 77 H GLY 77 -29.043 -6.388 1.148 598 HA2 GLY 77 HA2 GLY 77 -29.004 -8.078 -0.536 599 HA3 GLY 77 HA3 GLY 77 -30.649 -7.655 -0.965 600 H ASN 78 H ASN 78 -28.492 -5.023 -0.481 601 HA ASN 78 HA ASN 78 -28.475 -4.416 -3.327 602 HB2 ASN 78 HB2 ASN 78 -27.424 -2.838 -0.962 603 HB3 ASN 78 HB3 ASN 78 -27.459 -2.263 -2.625 604 HD21 ASN 78 HD21 ASN 78 -29.010 -2.137 0.249 605 HD22 ASN 78 HD22 ASN 78 -30.593 -1.702 -0.286 606 H GLU 79 H GLU 79 -26.551 -3.994 -4.521 607 HA GLU 79 HA GLU 79 -24.552 -5.985 -4.035 608 HB2 GLU 79 HB2 GLU 79 -25.381 -5.410 -6.306 609 HB3 GLU 79 HB3 GLU 79 -24.639 -3.824 -6.158 610 HG2 GLU 79 HG2 GLU 79 -22.447 -4.852 -6.078 611 HG3 GLU 79 HG3 GLU 79 -23.189 -6.450 -6.143 612 H VAL 80 H VAL 80 -22.912 -5.754 -2.721 613 HA VAL 80 HA VAL 80 -21.521 -3.167 -2.611 614 HB VAL 80 HB VAL 80 -21.721 -5.110 -0.293 615 HG11 VAL 80 HG11 VAL 80 -20.646 -3.318 0.998 616 HG12 VAL 80 HG12 VAL 80 -20.486 -2.369 -0.479 617 HG13 VAL 80 HG13 VAL 80 -19.623 -3.897 -0.317 618 HG21 VAL 80 HG21 VAL 80 -23.005 -2.394 -0.513 619 HG22 VAL 80 HG22 VAL 80 -23.127 -3.517 0.840 620 HG23 VAL 80 HG23 VAL 80 -23.857 -3.923 -0.716 621 H VAL 81 H VAL 81 -19.849 -3.447 -3.892 622 HA VAL 81 HA VAL 81 -18.604 -6.058 -4.050 623 HB VAL 81 HB VAL 81 -18.324 -3.672 -5.867 624 HG11 VAL 81 HG11 VAL 81 -17.121 -6.412 -6.170 625 HG12 VAL 81 HG12 VAL 81 -16.271 -4.870 -6.005 626 HG13 VAL 81 HG13 VAL 81 -17.208 -5.212 -7.461 627 HG21 VAL 81 HG21 VAL 81 -20.522 -4.681 -6.047 628 HG22 VAL 81 HG22 VAL 81 -19.795 -6.264 -6.321 629 HG23 VAL 81 HG23 VAL 81 -19.586 -4.980 -7.512 630 HA PRO 82 HA PRO 82 -15.226 -4.825 -1.369 631 HB2 PRO 82 HB2 PRO 82 -13.808 -7.053 -2.767 632 HB3 PRO 82 HB3 PRO 82 -14.000 -6.757 -1.033 633 HG2 PRO 82 HG2 PRO 82 -15.458 -8.571 -2.115 634 HG3 PRO 82 HG3 PRO 82 -16.199 -7.515 -1.113 635 HD2 PRO 82 HD2 PRO 82 -16.190 -7.417 -4.027 636 HD3 PRO 82 HD3 PRO 82 -17.498 -7.301 -3.057 637 H LYS 83 H LYS 83 -13.648 -3.427 -1.501 638 HA LYS 83 HA LYS 83 -12.674 -2.620 -4.139 639 HB2 LYS 83 HB2 LYS 83 -12.401 -1.206 -1.482 640 HB3 LYS 83 HB3 LYS 83 -12.052 -0.535 -3.040 641 HG2 LYS 83 HG2 LYS 83 -14.762 -1.371 -2.124 642 HG3 LYS 83 HG3 LYS 83 -14.128 0.251 -2.159 643 HD2 LYS 83 HD2 LYS 83 -13.802 0.000 -4.638 644 HD3 LYS 83 HD3 LYS 83 -14.697 -1.510 -4.508 645 HE2 LYS 83 HE2 LYS 83 -15.805 1.157 -3.644 646 HE3 LYS 83 HE3 LYS 83 -16.047 0.483 -5.255 647 HZ1 LYS 83 HZ1 LYS 83 -16.918 -0.762 -2.699 648 HZ2 LYS 83 HZ2 LYS 83 -17.141 -1.428 -4.238 649 HZ3 LYS 83 HZ3 LYS 83 -17.924 0.011 -3.820 650 HA PRO 84 HA PRO 84 -8.471 -3.979 -3.661 651 HB2 PRO 84 HB2 PRO 84 -6.881 -1.838 -4.113 652 HB3 PRO 84 HB3 PRO 84 -7.691 -2.720 -5.401 653 HG2 PRO 84 HG2 PRO 84 -8.482 -0.193 -4.152 654 HG3 PRO 84 HG3 PRO 84 -8.433 -0.567 -5.741 655 HD2 PRO 84 HD2 PRO 84 -10.891 -0.886 -4.461 656 HD3 PRO 84 HD3 PRO 84 -10.486 -2.026 -5.558 657 H GLN 85 H GLN 85 -6.829 -4.177 -2.232 658 HA GLN 85 HA GLN 85 -7.065 -2.687 0.275 659 HB2 GLN 85 HB2 GLN 85 -6.990 -5.213 0.239 660 HB3 GLN 85 HB3 GLN 85 -5.310 -5.085 -0.254 661 HG2 GLN 85 HG2 GLN 85 -4.762 -3.928 1.801 662 HG3 GLN 85 HG3 GLN 85 -6.451 -3.952 2.286 663 HE21 GLN 85 HE21 GLN 85 -6.960 -5.456 3.688 664 HE22 GLN 85 HE22 GLN 85 -6.169 -6.978 3.898 665 H ARG 86 H ARG 86 -5.647 -1.232 0.921 666 HA ARG 86 HA ARG 86 -3.223 -0.817 -0.731 667 HB2 ARG 86 HB2 ARG 86 -4.716 1.338 0.778 668 HB3 ARG 86 HB3 ARG 86 -3.433 1.549 -0.402 669 HG2 ARG 86 HG2 ARG 86 -4.885 0.802 -2.180 670 HG3 ARG 86 HG3 ARG 86 -6.154 0.413 -1.025 671 HD2 ARG 86 HD2 ARG 86 -5.311 3.129 -0.666 672 HD3 ARG 86 HD3 ARG 86 -5.725 2.853 -2.357 673 HE ARG 86 HE ARG 86 -7.518 2.664 -0.055 674 HH11 ARG 86 HH11 ARG 86 -7.112 2.384 -3.535 675 HH12 ARG 86 HH12 ARG 86 -8.814 2.427 -3.852 676 HH21 ARG 86 HH21 ARG 86 -9.743 2.718 -0.497 677 HH22 ARG 86 HH22 ARG 86 -10.299 2.616 -2.135 678 H HIS 87 H HIS 87 -1.319 -0.931 0.290 679 HA HIS 87 HA HIS 87 -1.279 -1.003 3.238 680 HB2 HIS 87 HB2 HIS 87 0.926 -2.103 1.518 681 HB3 HIS 87 HB3 HIS 87 0.479 -2.558 3.151 682 HD1 HIS 87 HD1 HIS 87 -1.601 -4.168 3.381 683 HD2 HIS 87 HD2 HIS 87 -0.274 -3.526 -0.507 684 HE1 HIS 87 HE1 HIS 87 -2.624 -6.009 2.006 685 HE2 HIS 87 HE2 HIS 87 -1.894 -5.537 -0.358 686 H MET 88 H MET 88 -0.438 0.755 4.198 687 HA MET 88 HA MET 88 1.301 2.550 2.648 688 HB2 MET 88 HB2 MET 88 -0.117 2.966 5.297 689 HB3 MET 88 HB3 MET 88 0.887 4.145 4.497 690 HG2 MET 88 HG2 MET 88 -0.601 4.224 2.602 691 HG3 MET 88 HG3 MET 88 -1.588 2.983 3.325 692 HE1 MET 88 HE1 MET 88 -3.937 4.470 3.246 693 HE2 MET 88 HE2 MET 88 -2.874 5.451 2.240 694 HE3 MET 88 HE3 MET 88 -3.829 6.212 3.506 695 H PHE 89 H PHE 89 3.336 3.210 3.378 696 HA PHE 89 HA PHE 89 4.384 2.113 5.896 697 HB2 PHE 89 HB2 PHE 89 5.879 2.079 3.267 698 HB3 PHE 89 HB3 PHE 89 6.581 1.699 4.818 699 HD1 PHE 89 HD1 PHE 89 4.550 0.484 2.070 700 HD2 PHE 89 HD2 PHE 89 6.021 -0.376 5.961 701 HE1 PHE 89 HE1 PHE 89 3.967 -1.890 1.766 702 HE2 PHE 89 HE2 PHE 89 5.443 -2.738 5.682 703 HZ PHE 89 HZ PHE 89 4.450 -3.502 3.477 704 H SER 90 H SER 90 5.357 3.691 7.087 705 HA SER 90 HA SER 90 5.663 6.315 5.886 706 HB2 SER 90 HB2 SER 90 4.571 6.384 7.953 707 HB3 SER 90 HB3 SER 90 5.782 5.373 8.731 708 HG SER 90 HG SER 90 6.055 8.042 7.826 709 H PHE 91 H PHE 91 7.489 7.516 5.778 710 HA PHE 91 HA PHE 91 10.028 6.015 5.934 711 HB2 PHE 91 HB2 PHE 91 8.839 7.589 3.665 712 HB3 PHE 91 HB3 PHE 91 10.582 7.417 3.801 713 HD1 PHE 91 HD1 PHE 91 7.497 5.304 3.852 714 HD2 PHE 91 HD2 PHE 91 11.578 5.664 2.690 715 HE1 PHE 91 HE1 PHE 91 7.363 3.151 2.668 716 HE2 PHE 91 HE2 PHE 91 11.437 3.501 1.513 717 HZ PHE 91 HZ PHE 91 9.319 2.252 1.503 718 H ASN 92 H ASN 92 11.943 7.584 5.515 719 HA ASN 92 HA ASN 92 11.488 10.194 6.805 720 HB2 ASN 92 HB2 ASN 92 13.782 8.263 7.237 721 HB3 ASN 92 HB3 ASN 92 13.814 9.936 7.776 722 HD21 ASN 92 HD21 ASN 92 13.328 6.897 8.791 723 HD22 ASN 92 HD22 ASN 92 12.270 7.177 10.127 724 H ASN 93 H ASN 93 12.491 8.583 4.037 725 HA ASN 93 HA ASN 93 13.809 10.962 2.966 726 HB2 ASN 93 HB2 ASN 93 15.618 9.467 3.798 727 HB3 ASN 93 HB3 ASN 93 15.042 8.204 2.716 728 HD21 ASN 93 HD21 ASN 93 17.437 8.540 2.174 729 HD22 ASN 93 HD22 ASN 93 17.765 9.627 0.871 730 H ARG 94 H ARG 94 13.581 11.253 0.779 731 HA ARG 94 HA ARG 94 11.352 9.918 -0.470 732 HB2 ARG 94 HB2 ARG 94 13.147 12.045 -1.626 733 HB3 ARG 94 HB3 ARG 94 11.574 11.562 -2.228 734 HG2 ARG 94 HG2 ARG 94 12.087 12.884 0.430 735 HG3 ARG 94 HG3 ARG 94 11.539 13.692 -1.026 736 HD2 ARG 94 HD2 ARG 94 9.509 12.299 -1.018 737 HD3 ARG 94 HD3 ARG 94 10.057 11.555 0.481 738 HE ARG 94 HE ARG 94 9.818 14.447 0.500 739 HH11 ARG 94 HH11 ARG 94 8.287 11.399 1.322 740 HH12 ARG 94 HH12 ARG 94 7.208 12.123 2.468 741 HH21 ARG 94 HH21 ARG 94 8.402 15.370 2.001 742 HH22 ARG 94 HH22 ARG 94 7.277 14.367 2.855 743 H THR 95 H THR 95 14.834 9.898 -0.854 744 HA THR 95 HA THR 95 14.872 8.721 -3.469 745 HB THR 95 HB THR 95 17.295 8.395 -3.062 746 HG1 THR 95 HG1 THR 95 17.080 9.647 -0.555 747 HG21 THR 95 HG21 THR 95 17.937 10.741 -2.737 748 HG22 THR 95 HG22 THR 95 16.328 11.102 -2.112 749 HG23 THR 95 HG23 THR 95 16.531 10.619 -3.796 750 H VAL 96 H VAL 96 14.504 7.451 -0.255 751 HA VAL 96 HA VAL 96 15.150 4.728 -0.961 752 HB VAL 96 HB VAL 96 13.528 5.708 1.418 753 HG11 VAL 96 HG11 VAL 96 14.928 3.056 1.068 754 HG12 VAL 96 HG12 VAL 96 13.210 3.302 0.781 755 HG13 VAL 96 HG13 VAL 96 13.873 3.543 2.397 756 HG21 VAL 96 HG21 VAL 96 15.865 6.567 1.383 757 HG22 VAL 96 HG22 VAL 96 16.436 4.899 1.376 758 HG23 VAL 96 HG23 VAL 96 15.516 5.511 2.756 759 H MET 97 H MET 97 12.017 6.321 -0.114 760 HA MET 97 HA MET 97 10.281 4.331 -0.913 761 HB2 MET 97 HB2 MET 97 8.595 6.159 -1.342 762 HB3 MET 97 HB3 MET 97 9.369 6.211 0.226 763 HG2 MET 97 HG2 MET 97 10.659 8.042 -0.325 764 HG3 MET 97 HG3 MET 97 10.323 7.895 -2.045 765 HE1 MET 97 HE1 MET 97 9.064 10.009 -2.932 766 HE2 MET 97 HE2 MET 97 7.326 10.023 -2.624 767 HE3 MET 97 HE3 MET 97 8.111 8.543 -3.183 768 H ASP 98 H ASP 98 11.747 6.809 -2.968 769 HA ASP 98 HA ASP 98 10.450 6.024 -5.372 770 HB2 ASP 98 HB2 ASP 98 12.934 7.620 -4.754 771 HB3 ASP 98 HB3 ASP 98 12.440 7.326 -6.410 772 H ASN 99 H ASN 99 13.265 4.772 -3.730 773 HA ASN 99 HA ASN 99 14.122 3.139 -5.988 774 HB2 ASN 99 HB2 ASN 99 15.163 3.841 -3.314 775 HB3 ASN 99 HB3 ASN 99 15.516 2.199 -3.821 776 HD21 ASN 99 HD21 ASN 99 16.721 5.188 -3.734 777 HD22 ASN 99 HD22 ASN 99 17.772 5.151 -5.105 778 H ILE 100 H ILE 100 12.355 2.684 -2.926 779 HA ILE 100 HA ILE 100 12.097 -0.156 -3.218 780 HB ILE 100 HB ILE 100 10.396 1.760 -1.581 781 HG12 ILE 100 HG12 ILE 100 12.707 1.751 -0.781 782 HG13 ILE 100 HG13 ILE 100 11.653 1.011 0.388 783 HG21 ILE 100 HG21 ILE 100 9.896 -0.371 -0.223 784 HG22 ILE 100 HG22 ILE 100 10.377 -1.233 -1.684 785 HG23 ILE 100 HG23 ILE 100 9.030 -0.103 -1.727 786 HD11 ILE 100 HD11 ILE 100 13.751 -0.150 0.286 787 HD12 ILE 100 HD12 ILE 100 13.576 -0.396 -1.454 788 HD13 ILE 100 HD13 ILE 100 12.472 -1.197 -0.334 789 H LYS 101 H LYS 101 9.741 2.516 -3.702 790 HA LYS 101 HA LYS 101 7.695 1.241 -5.004 791 HB2 LYS 101 HB2 LYS 101 7.626 3.578 -4.310 792 HB3 LYS 101 HB3 LYS 101 8.781 3.993 -5.568 793 HG2 LYS 101 HG2 LYS 101 7.172 3.375 -7.283 794 HG3 LYS 101 HG3 LYS 101 6.032 2.869 -6.040 795 HD2 LYS 101 HD2 LYS 101 5.901 5.167 -5.210 796 HD3 LYS 101 HD3 LYS 101 7.078 5.667 -6.421 797 HE2 LYS 101 HE2 LYS 101 5.526 5.074 -8.201 798 HE3 LYS 101 HE3 LYS 101 4.340 4.543 -7.005 799 HZ1 LYS 101 HZ1 LYS 101 3.858 6.771 -7.801 800 HZ2 LYS 101 HZ2 LYS 101 5.382 7.310 -7.305 801 HZ3 LYS 101 HZ3 LYS 101 4.250 6.806 -6.155 802 H MET 102 H MET 102 10.657 2.531 -6.524 803 HA MET 102 HA MET 102 10.000 1.941 -9.180 804 HB2 MET 102 HB2 MET 102 11.854 3.385 -8.599 805 HB3 MET 102 HB3 MET 102 12.711 2.036 -7.901 806 HG2 MET 102 HG2 MET 102 12.852 0.977 -10.071 807 HG3 MET 102 HG3 MET 102 11.979 2.302 -10.825 808 HE1 MET 102 HE1 MET 102 16.254 2.196 -9.237 809 HE2 MET 102 HE2 MET 102 15.141 0.842 -9.478 810 HE3 MET 102 HE3 MET 102 14.857 1.996 -8.176 811 H THR 103 H THR 103 12.137 -0.013 -7.054 812 HA THR 103 HA THR 103 12.400 -2.241 -8.663 813 HB THR 103 HB THR 103 12.171 -2.259 -5.637 814 HG1 THR 103 HG1 THR 103 13.893 -0.989 -6.944 815 HG21 THR 103 HG21 THR 103 13.553 -4.326 -5.775 816 HG22 THR 103 HG22 THR 103 13.380 -4.295 -7.528 817 HG23 THR 103 HG23 THR 103 11.962 -4.534 -6.507 818 H LEU 104 H LEU 104 9.949 -1.879 -6.072 819 HA LEU 104 HA LEU 104 8.259 -3.957 -6.451 820 HB2 LEU 104 HB2 LEU 104 7.543 -1.049 -6.014 821 HB3 LEU 104 HB3 LEU 104 6.400 -2.354 -5.834 822 HG LEU 104 HG LEU 104 8.890 -2.042 -4.177 823 HD11 LEU 104 HD11 LEU 104 6.132 -1.001 -3.869 824 HD12 LEU 104 HD12 LEU 104 7.667 -0.329 -3.323 825 HD13 LEU 104 HD13 LEU 104 6.919 -1.647 -2.434 826 HD21 LEU 104 HD21 LEU 104 8.086 -3.766 -2.824 827 HD22 LEU 104 HD22 LEU 104 7.852 -4.355 -4.467 828 HD23 LEU 104 HD23 LEU 104 6.488 -3.703 -3.551 829 H GLN 105 H GLN 105 7.909 -0.824 -8.087 830 HA GLN 105 HA GLN 105 5.915 -1.479 -9.922 831 HB2 GLN 105 HB2 GLN 105 8.084 0.593 -9.891 832 HB3 GLN 105 HB3 GLN 105 7.123 0.402 -11.343 833 HG2 GLN 105 HG2 GLN 105 5.095 0.864 -10.070 834 HG3 GLN 105 HG3 GLN 105 6.049 1.018 -8.599 835 HE21 GLN 105 HE21 GLN 105 8.110 2.267 -10.595 836 HE22 GLN 105 HE22 GLN 105 7.614 3.922 -10.651 837 H GLN 106 H GLN 106 9.375 -2.092 -10.131 838 HA GLN 106 HA GLN 106 9.359 -2.897 -12.883 839 HB2 GLN 106 HB2 GLN 106 11.391 -3.158 -10.685 840 HB3 GLN 106 HB3 GLN 106 11.654 -3.787 -12.305 841 HG2 GLN 106 HG2 GLN 106 11.462 -1.523 -13.233 842 HG3 GLN 106 HG3 GLN 106 11.117 -0.913 -11.644 843 HE21 GLN 106 HE21 GLN 106 13.083 0.306 -12.873 844 HE22 GLN 106 HE22 GLN 106 14.626 -0.156 -12.246 845 H ILE 107 H ILE 107 8.636 -4.377 -9.871 846 HA ILE 107 HA ILE 107 8.850 -7.114 -10.774 847 HB ILE 107 HB ILE 107 7.798 -5.886 -8.207 848 HG12 ILE 107 HG12 ILE 107 10.287 -7.545 -8.696 849 HG13 ILE 107 HG13 ILE 107 10.266 -5.808 -8.656 850 HG21 ILE 107 HG21 ILE 107 7.620 -8.101 -7.262 851 HG22 ILE 107 HG22 ILE 107 8.123 -8.832 -8.788 852 HG23 ILE 107 HG23 ILE 107 6.588 -7.967 -8.685 853 HD11 ILE 107 HD11 ILE 107 11.107 -6.780 -6.577 854 HD12 ILE 107 HD12 ILE 107 9.541 -7.551 -6.325 855 HD13 ILE 107 HD13 ILE 107 9.666 -5.793 -6.330 856 H ILE 108 H ILE 108 6.214 -4.786 -10.137 857 HA ILE 108 HA ILE 108 4.105 -6.692 -10.504 858 HB ILE 108 HB ILE 108 4.047 -3.664 -10.359 859 HG12 ILE 108 HG12 ILE 108 3.045 -5.724 -8.421 860 HG13 ILE 108 HG13 ILE 108 4.679 -5.119 -8.373 861 HG21 ILE 108 HG21 ILE 108 1.623 -3.780 -10.154 862 HG22 ILE 108 HG22 ILE 108 1.669 -5.541 -10.311 863 HG23 ILE 108 HG23 ILE 108 2.106 -4.523 -11.685 864 HD11 ILE 108 HD11 ILE 108 3.916 -2.917 -7.886 865 HD12 ILE 108 HD12 ILE 108 3.189 -4.047 -6.747 866 HD13 ILE 108 HD13 ILE 108 2.237 -3.409 -8.086 867 H SER 109 H SER 109 5.665 -4.331 -12.566 868 HA SER 109 HA SER 109 3.991 -4.554 -14.836 869 HB2 SER 109 HB2 SER 109 5.831 -3.574 -16.085 870 HB3 SER 109 HB3 SER 109 5.679 -2.764 -14.527 871 HG SER 109 HG SER 109 7.346 -4.801 -14.218 872 H ARG 110 H ARG 110 6.360 -6.713 -13.523 873 HA ARG 110 HA ARG 110 6.619 -8.398 -15.847 874 HB2 ARG 110 HB2 ARG 110 8.316 -8.365 -14.029 875 HB3 ARG 110 HB3 ARG 110 7.132 -9.067 -12.938 876 HG2 ARG 110 HG2 ARG 110 7.036 -11.062 -14.317 877 HG3 ARG 110 HG3 ARG 110 8.203 -10.365 -15.434 878 HD2 ARG 110 HD2 ARG 110 9.865 -10.269 -13.642 879 HD3 ARG 110 HD3 ARG 110 8.698 -10.964 -12.518 880 HE ARG 110 HE ARG 110 9.107 -12.609 -14.821 881 HH11 ARG 110 HH11 ARG 110 10.467 -11.814 -11.678 882 HH12 ARG 110 HH12 ARG 110 11.269 -13.340 -11.514 883 HH21 ARG 110 HH21 ARG 110 10.167 -14.599 -14.580 884 HH22 ARG 110 HH22 ARG 110 11.102 -14.913 -13.157 885 H TYR 111 H TYR 111 4.699 -8.480 -12.868 886 HA TYR 111 HA TYR 111 3.157 -10.789 -13.684 887 HB2 TYR 111 HB2 TYR 111 2.697 -8.881 -11.383 888 HB3 TYR 111 HB3 TYR 111 1.855 -10.398 -11.645 889 HD1 TYR 111 HD1 TYR 111 3.536 -12.488 -11.999 890 HD2 TYR 111 HD2 TYR 111 4.434 -8.925 -9.843 891 HE1 TYR 111 HE1 TYR 111 5.278 -13.688 -10.750 892 HE2 TYR 111 HE2 TYR 111 6.173 -10.125 -8.588 893 HH TYR 111 HH TYR 111 7.333 -13.169 -9.511 894 H LYS 112 H LYS 112 3.179 -7.703 -14.712 895 HA LYS 112 HA LYS 112 0.306 -7.294 -14.984 896 HB2 LYS 112 HB2 LYS 112 1.796 -5.431 -14.343 897 HB3 LYS 112 HB3 LYS 112 2.655 -5.604 -15.865 898 HG2 LYS 112 HG2 LYS 112 0.610 -5.002 -17.075 899 HG3 LYS 112 HG3 LYS 112 -0.240 -4.853 -15.550 900 HD2 LYS 112 HD2 LYS 112 1.137 -2.975 -14.897 901 HD3 LYS 112 HD3 LYS 112 2.159 -3.187 -16.314 902 HE2 LYS 112 HE2 LYS 112 -0.766 -2.416 -16.387 903 HE3 LYS 112 HE3 LYS 112 0.577 -1.286 -16.516 904 HZ1 LYS 112 HZ1 LYS 112 -0.392 -1.920 -18.675 905 HZ2 LYS 112 HZ2 LYS 112 0.087 -3.520 -18.410 906 HZ3 LYS 112 HZ3 LYS 112 1.250 -2.303 -18.558 907 H ASP 113 H ASP 113 3.155 -8.084 -16.877 908 HA ASP 113 HA ASP 113 1.703 -8.226 -19.386 909 HB2 ASP 113 HB2 ASP 113 4.580 -8.667 -18.596 910 HB3 ASP 113 HB3 ASP 113 3.985 -8.964 -20.216 911 H ALA 114 H ALA 114 3.045 -10.347 -16.922 912 HA ALA 114 HA ALA 114 3.011 -12.558 -16.534 913 HB1 ALA 114 HB1 ALA 114 0.960 -13.757 -17.002 914 HB2 ALA 114 HB2 ALA 114 0.484 -12.527 -18.174 915 HB3 ALA 114 HB3 ALA 114 0.599 -12.115 -16.464 916 H ASP 115 H ASP 115 4.868 -13.116 -17.557 917 HA ASP 115 HA ASP 115 4.592 -14.382 -20.203 918 HB2 ASP 115 HB2 ASP 115 6.159 -12.494 -20.181 919 HB3 ASP 115 HB3 ASP 115 7.082 -13.257 -18.892 920 H1 GLY 519 H1 GLY 519 -14.688 6.589 -5.322 921 H2 GLY 519 H2 GLY 519 -13.771 7.982 -5.040 922 H3 GLY 519 H3 GLY 519 -15.389 7.920 -4.549 923 HA2 GLY 519 HA2 GLY 519 -13.179 6.261 -3.463 924 HA3 GLY 519 HA3 GLY 519 -13.904 7.645 -2.660 925 H SER 520 H SER 520 -16.162 7.515 -2.065 926 HA SER 520 HA SER 520 -17.919 6.588 -0.991 927 HB2 SER 520 HB2 SER 520 -18.659 5.639 -3.041 928 HB3 SER 520 HB3 SER 520 -17.431 4.375 -2.989 929 HG SER 520 HG SER 520 -19.540 4.651 -1.109 930 HA PRO 521 HA PRO 521 -15.759 4.329 2.260 931 HB2 PRO 521 HB2 PRO 521 -17.682 4.551 4.181 932 HB3 PRO 521 HB3 PRO 521 -16.593 5.866 3.746 933 HG2 PRO 521 HG2 PRO 521 -19.357 5.430 2.941 934 HG3 PRO 521 HG3 PRO 521 -18.614 6.833 3.324 935 HD2 PRO 521 HD2 PRO 521 -19.110 6.127 0.898 936 HD3 PRO 521 HD3 PRO 521 -17.889 7.135 1.296 937 H GLY 522 H GLY 522 -15.678 2.257 2.966 938 HA2 GLY 522 HA2 GLY 522 -18.031 0.535 2.473 939 HA3 GLY 522 HA3 GLY 522 -16.392 0.024 2.099 940 H TYR 523 H TYR 523 -18.373 -1.216 3.860 941 HA TYR 523 HA TYR 523 -17.049 -0.950 6.474 942 HB2 TYR 523 HB2 TYR 523 -19.774 -2.096 5.813 943 HB3 TYR 523 HB3 TYR 523 -19.073 -2.021 7.425 944 HD1 TYR 523 HD1 TYR 523 -20.761 -0.157 4.795 945 HD2 TYR 523 HD2 TYR 523 -18.792 0.166 8.557 946 HE1 TYR 523 HE1 TYR 523 -21.728 2.084 5.103 947 HE2 TYR 523 HE2 TYR 523 -19.756 2.406 8.873 948 HH TYR 523 HH TYR 523 -22.271 3.617 6.948 949 HA PRO 524 HA PRO 524 -15.323 -5.054 5.202 950 HB2 PRO 524 HB2 PRO 524 -13.340 -5.100 7.046 951 HB3 PRO 524 HB3 PRO 524 -13.190 -4.224 5.518 952 HG2 PRO 524 HG2 PRO 524 -13.928 -3.133 8.155 953 HG3 PRO 524 HG3 PRO 524 -12.816 -2.556 7.107 954 HD2 PRO 524 HD2 PRO 524 -15.218 -1.480 7.072 955 HD3 PRO 524 HD3 PRO 524 -14.472 -1.730 5.641 956 H ASN 525 H ASN 525 -15.340 -7.086 6.200 957 HA ASN 525 HA ASN 525 -17.155 -7.316 8.448 958 HB2 ASN 525 HB2 ASN 525 -15.938 -9.386 6.609 959 HB3 ASN 525 HB3 ASN 525 -16.990 -9.797 7.954 960 HD21 ASN 525 HD21 ASN 525 -19.140 -8.634 7.918 961 HD22 ASN 525 HD22 ASN 525 -19.930 -8.506 6.389 962 H GLY 526 H GLY 526 -13.768 -7.410 7.955 963 HA2 GLY 526 HA2 GLY 526 -13.387 -8.436 10.704 964 HA3 GLY 526 HA3 GLY 526 -12.244 -8.751 9.405 965 H LEU 527 H LEU 527 -12.316 -7.179 12.106 966 HA LEU 527 HA LEU 527 -11.443 -5.330 13.067 967 HB2 LEU 527 HB2 LEU 527 -9.800 -5.278 10.557 968 HB3 LEU 527 HB3 LEU 527 -9.439 -4.350 11.987 969 HG LEU 527 HG LEU 527 -9.377 -7.375 11.771 970 HD11 LEU 527 HD11 LEU 527 -6.923 -7.044 11.985 971 HD12 LEU 527 HD12 LEU 527 -7.179 -5.310 11.811 972 HD13 LEU 527 HD13 LEU 527 -7.590 -6.399 10.487 973 HD21 LEU 527 HD21 LEU 527 -9.892 -6.640 14.042 974 HD22 LEU 527 HD22 LEU 527 -8.508 -5.549 14.014 975 HD23 LEU 527 HD23 LEU 527 -8.257 -7.294 13.952 976 H LEU 528 H LEU 528 -12.865 -3.847 13.370 977 HA LEU 528 HA LEU 528 -13.100 -1.717 11.356 978 HB2 LEU 528 HB2 LEU 528 -15.187 -2.760 13.285 979 HB3 LEU 528 HB3 LEU 528 -15.345 -1.226 12.459 980 HG LEU 528 HG LEU 528 -15.052 -3.820 10.947 981 HD11 LEU 528 HD11 LEU 528 -17.493 -3.831 10.681 982 HD12 LEU 528 HD12 LEU 528 -17.618 -2.505 11.834 983 HD13 LEU 528 HD13 LEU 528 -17.011 -4.075 12.359 984 HD21 LEU 528 HD21 LEU 528 -14.611 -1.797 9.687 985 HD22 LEU 528 HD22 LEU 528 -16.150 -1.113 10.207 986 HD23 LEU 528 HD23 LEU 528 -16.124 -2.530 9.158 987 H SER 529 H SER 529 -11.613 -2.572 14.077 988 HA SER 529 HA SER 529 -11.307 0.128 15.079 989 HB2 SER 529 HB2 SER 529 -11.983 -0.358 17.392 990 HB3 SER 529 HB3 SER 529 -13.341 -0.578 16.292 991 HG SER 529 HG SER 529 -11.923 -2.868 16.598 992 H GLY 530 H GLY 530 -9.478 -1.555 13.859 993 HA2 GLY 530 HA2 GLY 530 -7.803 -2.559 16.067 994 HA3 GLY 530 HA3 GLY 530 -7.723 -3.128 14.407 995 H ASP 531 H ASP 531 -6.506 -2.017 12.913 996 HA ASP 531 HA ASP 531 -5.107 0.402 13.768 997 HB2 ASP 531 HB2 ASP 531 -3.774 -2.141 12.846 998 HB3 ASP 531 HB3 ASP 531 -2.961 -0.582 12.814 999 H GLU 532 H GLU 532 -6.612 -1.384 11.352 1000 HA GLU 532 HA GLU 532 -5.490 0.194 9.167 1001 HB2 GLU 532 HB2 GLU 532 -7.100 -2.335 9.249 1002 HB3 GLU 532 HB3 GLU 532 -6.766 -1.472 7.771 1003 HG2 GLU 532 HG2 GLU 532 -4.384 -1.793 8.122 1004 HG3 GLU 532 HG3 GLU 532 -4.712 -2.622 9.640 1005 H ASP 533 H ASP 533 -7.691 0.812 11.233 1006 HA ASP 533 HA ASP 533 -9.987 1.421 9.566 1007 HB2 ASP 533 HB2 ASP 533 -10.240 0.594 11.911 1008 HB3 ASP 533 HB3 ASP 533 -9.513 2.088 12.484 1009 H PHE 534 H PHE 534 -7.124 3.003 10.631 1010 HA PHE 534 HA PHE 534 -8.194 5.682 10.150 1011 HB2 PHE 534 HB2 PHE 534 -5.589 4.675 11.292 1012 HB3 PHE 534 HB3 PHE 534 -5.800 6.359 10.831 1013 HD1 PHE 534 HD1 PHE 534 -6.426 3.848 13.336 1014 HD2 PHE 534 HD2 PHE 534 -7.555 7.729 11.991 1015 HE1 PHE 534 HE1 PHE 534 -7.413 4.321 15.538 1016 HE2 PHE 534 HE2 PHE 534 -8.543 8.206 14.193 1017 HZ PHE 534 HZ PHE 534 -8.473 6.502 15.969 1018 H SER 535 H SER 535 -6.810 3.254 8.352 1019 HA SER 535 HA SER 535 -5.347 4.960 6.522 1020 HB2 SER 535 HB2 SER 535 -4.812 2.907 5.332 1021 HB3 SER 535 HB3 SER 535 -4.499 2.697 7.049 1022 HG SER 535 HG SER 535 -5.719 0.998 6.816 1023 H SER 536 H SER 536 -8.545 4.237 7.003 1024 HA SER 536 HA SER 536 -9.367 4.263 4.215 1025 HB2 SER 536 HB2 SER 536 -11.661 4.140 5.117 1026 HB3 SER 536 HB3 SER 536 -10.631 2.891 5.811 1027 HG SER 536 HG SER 536 -11.595 3.730 7.550 1028 H ILE 537 H ILE 537 -9.295 6.432 6.986 1029 HA ILE 537 HA ILE 537 -10.407 8.636 5.467 1030 HB ILE 537 HB ILE 537 -10.105 9.979 7.509 1031 HG12 ILE 537 HG12 ILE 537 -9.032 7.508 8.888 1032 HG13 ILE 537 HG13 ILE 537 -7.982 8.746 8.216 1033 HG21 ILE 537 HG21 ILE 537 -12.172 8.704 7.344 1034 HG22 ILE 537 HG22 ILE 537 -11.642 8.809 9.024 1035 HG23 ILE 537 HG23 ILE 537 -11.400 7.317 8.114 1036 HD11 ILE 537 HD11 ILE 537 -8.113 9.280 10.480 1037 HD12 ILE 537 HD12 ILE 537 -9.836 8.916 10.562 1038 HD13 ILE 537 HD13 ILE 537 -9.289 10.373 9.736 1039 H ALA 538 H ALA 538 -7.290 7.376 6.340 1040 HA ALA 538 HA ALA 538 -5.911 9.683 5.265 1041 HB1 ALA 538 HB1 ALA 538 -3.888 8.617 5.897 1042 HB2 ALA 538 HB2 ALA 538 -4.683 7.052 6.042 1043 HB3 ALA 538 HB3 ALA 538 -5.039 8.331 7.200 1044 H ASP 539 H ASP 539 -7.683 7.475 3.892 1045 HA ASP 539 HA ASP 539 -6.056 6.954 1.526 1046 HB2 ASP 539 HB2 ASP 539 -8.440 5.796 2.719 1047 HB3 ASP 539 HB3 ASP 539 -8.723 6.189 1.029 1048 H MET 540 H MET 540 -8.670 8.981 2.675 1049 HA MET 540 HA MET 540 -9.163 10.322 0.202 1050 HB2 MET 540 HB2 MET 540 -9.790 11.031 3.060 1051 HB3 MET 540 HB3 MET 540 -10.232 12.050 1.693 1052 HG2 MET 540 HG2 MET 540 -11.126 9.207 2.139 1053 HG3 MET 540 HG3 MET 540 -12.099 10.652 2.387 1054 HE1 MET 540 HE1 MET 540 -12.899 11.894 -1.138 1055 HE2 MET 540 HE2 MET 540 -11.669 12.507 -0.033 1056 HE3 MET 540 HE3 MET 540 -13.236 11.996 0.591 1057 H ASP 541 H ASP 541 -6.733 10.488 2.591 1058 HA ASP 541 HA ASP 541 -5.872 13.149 2.141 1059 HB2 ASP 541 HB2 ASP 541 -4.687 10.781 3.550 1060 HB3 ASP 541 HB3 ASP 541 -3.806 12.277 3.377 1061 H PHE 542 H PHE 542 -5.149 10.032 0.700 1062 HA PHE 542 HA PHE 542 -2.621 10.874 -0.414 1063 HB2 PHE 542 HB2 PHE 542 -3.999 8.381 0.006 1064 HB3 PHE 542 HB3 PHE 542 -3.372 8.459 -1.635 1065 HD1 PHE 542 HD1 PHE 542 -2.551 8.182 1.875 1066 HD2 PHE 542 HD2 PHE 542 -0.977 8.739 -2.036 1067 HE1 PHE 542 HE1 PHE 542 -0.308 7.597 2.695 1068 HE2 PHE 542 HE2 PHE 542 1.255 8.161 -1.213 1069 HZ PHE 542 HZ PHE 542 1.598 7.576 1.141 1070 H SER 543 H SER 543 -5.878 11.044 -1.461 1071 HA SER 543 HA SER 543 -5.234 11.054 -4.293 1072 HB2 SER 543 HB2 SER 543 -7.640 11.390 -4.634 1073 HB3 SER 543 HB3 SER 543 -7.346 10.057 -3.523 1074 HG SER 543 HG SER 543 -8.992 11.804 -2.996 1075 H ALA 544 H ALA 544 -5.526 13.349 -1.744 1076 HA ALA 544 HA ALA 544 -5.838 15.621 -3.546 1077 HB1 ALA 544 HB1 ALA 544 -5.528 15.561 -0.545 1078 HB2 ALA 544 HB2 ALA 544 -7.058 15.611 -1.422 1079 HB3 ALA 544 HB3 ALA 544 -5.939 16.971 -1.523 1080 H LEU 545 H LEU 545 -3.306 13.801 -2.182 1081 HA LEU 545 HA LEU 545 -1.374 15.945 -2.044 1082 HB2 LEU 545 HB2 LEU 545 0.131 14.324 -1.198 1083 HB3 LEU 545 HB3 LEU 545 -1.418 14.066 -0.439 1084 HG LEU 545 HG LEU 545 -1.760 12.258 -2.277 1085 HD11 LEU 545 HD11 LEU 545 1.241 12.495 -2.222 1086 HD12 LEU 545 HD12 LEU 545 0.198 12.817 -3.608 1087 HD13 LEU 545 HD13 LEU 545 0.325 11.187 -2.966 1088 HD21 LEU 545 HD21 LEU 545 -0.627 10.581 -0.850 1089 HD22 LEU 545 HD22 LEU 545 -1.607 11.717 0.074 1090 HD23 LEU 545 HD23 LEU 545 0.147 11.900 0.032 1091 H LEU 546 H LEU 546 -2.169 13.292 -4.230 1092 HA LEU 546 HA LEU 546 0.203 13.721 -5.860 1093 HB2 LEU 546 HB2 LEU 546 -2.196 11.934 -6.274 1094 HB3 LEU 546 HB3 LEU 546 -0.796 11.967 -7.318 1095 HG LEU 546 HG LEU 546 -0.707 11.225 -4.398 1096 HD11 LEU 546 HD11 LEU 546 -0.889 9.499 -6.858 1097 HD12 LEU 546 HD12 LEU 546 -2.044 9.594 -5.528 1098 HD13 LEU 546 HD13 LEU 546 -0.445 8.904 -5.262 1099 HD21 LEU 546 HD21 LEU 546 1.417 12.048 -5.331 1100 HD22 LEU 546 HD22 LEU 546 1.311 10.848 -6.615 1101 HD23 LEU 546 HD23 LEU 546 1.505 10.330 -4.940 1102 H SER 547 H SER 547 -3.092 14.686 -5.744 1103 HA SER 547 HA SER 547 -2.860 16.084 -8.323 1104 HB2 SER 547 HB2 SER 547 -5.326 15.491 -6.655 1105 HB3 SER 547 HB3 SER 547 -5.325 16.328 -8.206 1106 HG SER 547 HG SER 547 -5.371 14.438 -9.100 1107 H GLN 548 H GLN 548 -1.290 17.323 -6.736 1108 HA GLN 548 HA GLN 548 -2.658 19.380 -5.186 1109 HB2 GLN 548 HB2 GLN 548 -0.510 19.973 -4.309 1110 HB3 GLN 548 HB3 GLN 548 -0.662 18.224 -4.259 1111 HG2 GLN 548 HG2 GLN 548 0.695 18.099 -6.345 1112 HG3 GLN 548 HG3 GLN 548 0.913 19.841 -6.247 1113 HE21 GLN 548 HE21 GLN 548 0.781 18.797 -3.158 1114 HE22 GLN 548 HE22 GLN 548 2.466 18.571 -2.842 1115 H ILE 549 H ILE 549 -1.998 19.032 -8.341 1116 HA ILE 549 HA ILE 549 -1.406 21.891 -8.764 1117 HB ILE 549 HB ILE 549 -0.902 19.584 -10.685 1118 HG12 ILE 549 HG12 ILE 549 1.129 21.412 -9.375 1119 HG13 ILE 549 HG13 ILE 549 0.739 19.805 -8.780 1120 HG21 ILE 549 HG21 ILE 549 -0.303 22.523 -11.043 1121 HG22 ILE 549 HG22 ILE 549 -1.547 21.608 -11.894 1122 HG23 ILE 549 HG23 ILE 549 0.156 21.233 -12.156 1123 HD11 ILE 549 HD11 ILE 549 2.784 19.783 -10.074 1124 HD12 ILE 549 HD12 ILE 549 1.938 20.462 -11.464 1125 HD13 ILE 549 HD13 ILE 549 1.532 18.845 -10.888 1126 H SER 550 H SER 550 -3.026 23.085 -9.481 1127 HA SER 550 HA SER 550 -5.361 21.765 -10.700 1128 HB2 SER 550 HB2 SER 550 -5.155 24.335 -9.109 1129 HB3 SER 550 HB3 SER 550 -6.620 23.811 -9.937 1130 HG SER 550 HG SER 550 -5.266 22.479 -7.828 1131 H SER 551 H SER 551 -6.112 22.403 -12.647 1132 HA SER 551 HA SER 551 -4.697 24.601 -14.007 1133 HB2 SER 551 HB2 SER 551 -4.022 22.533 -15.035 1134 HB3 SER 551 HB3 SER 551 -5.692 21.975 -15.141 1135 HG SER 551 HG SER 551 -4.588 22.986 -17.080 Start of MODEL 18 1 H2 PRO 1 H2 PRO 1 19.605 3.425 -5.926 2 H3 PRO 1 H1 PRO 1 20.645 2.169 -6.003 3 HA PRO 1 HA PRO 1 17.849 2.245 -6.223 4 HB2 PRO 1 HB2 PRO 1 19.128 0.107 -7.880 5 HB3 PRO 1 HB3 PRO 1 17.509 0.829 -8.014 6 HG2 PRO 1 HG2 PRO 1 19.521 1.602 -9.570 7 HG3 PRO 1 HG3 PRO 1 18.345 2.638 -9.111 8 HD2 PRO 1 HD2 PRO 1 21.045 2.567 -8.201 9 HD3 PRO 1 HD3 PRO 1 20.017 3.835 -8.158 10 H SER 2 H SER 2 17.206 1.091 -4.533 11 HA SER 2 HA SER 2 18.829 -1.166 -3.593 12 HB2 SER 2 HB2 SER 2 19.422 0.780 -2.205 13 HB3 SER 2 HB3 SER 2 17.722 1.026 -1.814 14 HG SER 2 HG SER 2 18.529 -0.141 -0.148 15 H HIS 3 H HIS 3 17.723 -2.853 -2.736 16 HA HIS 3 HA HIS 3 14.854 -2.983 -3.153 17 HB2 HIS 3 HB2 HIS 3 16.885 -5.006 -2.227 18 HB3 HIS 3 HB3 HIS 3 15.191 -5.367 -2.373 19 HD1 HIS 3 HD1 HIS 3 16.869 -7.111 -4.030 20 HD2 HIS 3 HD2 HIS 3 15.641 -3.373 -5.372 21 HE1 HIS 3 HE1 HIS 3 17.031 -7.212 -6.538 22 HE2 HIS 3 HE2 HIS 3 16.250 -4.952 -7.330 23 H SER 4 H SER 4 16.817 -1.982 -0.649 24 HA SER 4 HA SER 4 14.763 -2.393 1.378 25 HB2 SER 4 HB2 SER 4 16.326 -3.307 3.004 26 HB3 SER 4 HB3 SER 4 16.312 -4.335 1.573 27 HG SER 4 HG SER 4 18.258 -2.378 2.245 28 H GLY 5 H GLY 5 14.834 -0.941 3.091 29 HA2 GLY 5 HA2 GLY 5 16.951 1.033 3.265 30 HA3 GLY 5 HA3 GLY 5 15.397 1.655 2.735 31 H ALA 6 H ALA 6 14.141 2.436 4.272 32 HA ALA 6 HA ALA 6 13.905 1.066 6.832 33 HB1 ALA 6 HB1 ALA 6 14.188 3.117 8.137 34 HB2 ALA 6 HB2 ALA 6 14.645 3.988 6.668 35 HB3 ALA 6 HB3 ALA 6 15.662 2.679 7.276 36 H ALA 7 H ALA 7 11.796 0.967 7.405 37 HA ALA 7 HA ALA 7 9.944 3.056 6.526 38 HB1 ALA 7 HB1 ALA 7 8.362 1.437 5.608 39 HB2 ALA 7 HB2 ALA 7 9.519 0.142 5.903 40 HB3 ALA 7 HB3 ALA 7 9.896 1.410 4.738 41 H ILE 8 H ILE 8 7.988 3.171 7.682 42 HA ILE 8 HA ILE 8 7.866 1.605 10.184 43 HB ILE 8 HB ILE 8 6.717 4.350 9.589 44 HG12 ILE 8 HG12 ILE 8 8.845 3.587 11.590 45 HG13 ILE 8 HG13 ILE 8 9.195 4.210 9.993 46 HG21 ILE 8 HG21 ILE 8 6.001 4.431 11.930 47 HG22 ILE 8 HG22 ILE 8 6.549 2.769 12.156 48 HG23 ILE 8 HG23 ILE 8 5.209 3.115 11.064 49 HD11 ILE 8 HD11 ILE 8 9.377 5.913 11.740 50 HD12 ILE 8 HD12 ILE 8 7.675 5.674 12.138 51 HD13 ILE 8 HD13 ILE 8 8.131 6.311 10.559 52 H PHE 9 H PHE 9 6.039 0.481 10.669 53 HA PHE 9 HA PHE 9 3.683 0.679 8.944 54 HB2 PHE 9 HB2 PHE 9 5.222 -1.085 8.012 55 HB3 PHE 9 HB3 PHE 9 5.045 -1.972 9.515 56 HD1 PHE 9 HD1 PHE 9 3.198 -0.703 6.564 57 HD2 PHE 9 HD2 PHE 9 3.209 -3.408 9.851 58 HE1 PHE 9 HE1 PHE 9 1.206 -1.819 5.649 59 HE2 PHE 9 HE2 PHE 9 1.225 -4.531 8.939 60 HZ PHE 9 HZ PHE 9 0.231 -3.757 6.828 61 H GLU 10 H GLU 10 1.961 0.819 10.192 62 HA GLU 10 HA GLU 10 0.526 0.759 11.945 63 HB2 GLU 10 HB2 GLU 10 1.967 -1.816 12.577 64 HB3 GLU 10 HB3 GLU 10 0.507 -1.281 13.393 65 HG2 GLU 10 HG2 GLU 10 -0.682 -1.305 11.258 66 HG3 GLU 10 HG3 GLU 10 0.778 -1.880 10.456 67 H LYS 11 H LYS 11 2.786 2.334 12.228 68 HA LYS 11 HA LYS 11 3.692 3.793 13.700 69 HB2 LYS 11 HB2 LYS 11 1.913 2.433 15.721 70 HB3 LYS 11 HB3 LYS 11 2.899 3.845 16.073 71 HG2 LYS 11 HG2 LYS 11 1.687 5.123 14.386 72 HG3 LYS 11 HG3 LYS 11 0.715 3.714 13.995 73 HD2 LYS 11 HD2 LYS 11 -0.180 3.717 16.279 74 HD3 LYS 11 HD3 LYS 11 0.780 5.146 16.655 75 HE2 LYS 11 HE2 LYS 11 -0.434 6.411 14.947 76 HE3 LYS 11 HE3 LYS 11 -1.379 4.975 14.562 77 HZ1 LYS 11 HZ1 LYS 11 -1.363 6.392 17.171 78 HZ2 LYS 11 HZ2 LYS 11 -2.262 5.003 16.819 79 HZ3 LYS 11 HZ3 LYS 11 -2.601 6.454 16.020 80 H VAL 12 H VAL 12 4.277 0.511 13.909 81 HA VAL 12 HA VAL 12 6.496 0.832 15.787 82 HB VAL 12 HB VAL 12 5.500 -1.664 14.371 83 HG11 VAL 12 HG11 VAL 12 6.976 -2.892 15.956 84 HG12 VAL 12 HG12 VAL 12 7.746 -1.348 16.323 85 HG13 VAL 12 HG13 VAL 12 7.805 -1.996 14.686 86 HG21 VAL 12 HG21 VAL 12 4.804 -2.438 16.599 87 HG22 VAL 12 HG22 VAL 12 3.939 -0.986 16.086 88 HG23 VAL 12 HG23 VAL 12 5.247 -0.864 17.264 89 H SER 13 H SER 13 8.434 1.432 15.092 90 HA SER 13 HA SER 13 8.871 1.777 12.268 91 HB2 SER 13 HB2 SER 13 9.555 3.586 13.704 92 HB3 SER 13 HB3 SER 13 10.560 2.502 14.664 93 HG SER 13 HG SER 13 10.966 3.190 11.938 94 H GLY 14 H GLY 14 10.276 0.793 10.958 95 HA2 GLY 14 HA2 GLY 14 12.084 -1.238 11.974 96 HA3 GLY 14 HA3 GLY 14 10.724 -1.841 11.047 97 H ILE 15 H ILE 15 12.267 -2.708 9.619 98 HA ILE 15 HA ILE 15 13.313 -0.747 7.683 99 HB ILE 15 HB ILE 15 14.621 -3.224 8.801 100 HG12 ILE 15 HG12 ILE 15 15.868 -0.508 8.342 101 HG13 ILE 15 HG13 ILE 15 15.032 -0.944 9.817 102 HG21 ILE 15 HG21 ILE 15 15.417 -1.902 6.214 103 HG22 ILE 15 HG22 ILE 15 14.833 -3.554 6.437 104 HG23 ILE 15 HG23 ILE 15 16.399 -3.074 7.095 105 HD11 ILE 15 HD11 ILE 15 17.576 -2.147 8.765 106 HD12 ILE 15 HD12 ILE 15 16.698 -2.748 10.171 107 HD13 ILE 15 HD13 ILE 15 17.377 -1.120 10.184 108 H ILE 16 H ILE 16 12.912 -1.183 5.538 109 HA ILE 16 HA ILE 16 11.107 -3.425 4.996 110 HB ILE 16 HB ILE 16 11.063 -0.674 4.255 111 HG12 ILE 16 HG12 ILE 16 9.287 -3.003 4.333 112 HG13 ILE 16 HG13 ILE 16 8.999 -1.350 4.845 113 HG21 ILE 16 HG21 ILE 16 10.660 -2.282 1.757 114 HG22 ILE 16 HG22 ILE 16 12.254 -1.619 2.147 115 HG23 ILE 16 HG23 ILE 16 10.874 -0.533 1.948 116 HD11 ILE 16 HD11 ILE 16 7.438 -1.905 3.124 117 HD12 ILE 16 HD12 ILE 16 8.728 -2.454 2.055 118 HD13 ILE 16 HD13 ILE 16 8.590 -0.746 2.467 119 H ALA 17 H ALA 17 11.590 -5.018 3.593 120 HA ALA 17 HA ALA 17 13.948 -4.760 1.860 121 HB1 ALA 17 HB1 ALA 17 14.684 -5.917 3.898 122 HB2 ALA 17 HB2 ALA 17 14.756 -6.973 2.487 123 HB3 ALA 17 HB3 ALA 17 13.438 -7.140 3.647 124 H ILE 18 H ILE 18 13.770 -5.734 -0.120 125 HA ILE 18 HA ILE 18 11.201 -7.022 -0.724 126 HB ILE 18 HB ILE 18 13.235 -5.785 -2.593 127 HG12 ILE 18 HG12 ILE 18 10.388 -5.006 -2.043 128 HG13 ILE 18 HG13 ILE 18 11.758 -4.334 -1.194 129 HG21 ILE 18 HG21 ILE 18 12.185 -7.699 -3.699 130 HG22 ILE 18 HG22 ILE 18 11.676 -6.166 -4.410 131 HG23 ILE 18 HG23 ILE 18 10.594 -7.034 -3.319 132 HD11 ILE 18 HD11 ILE 18 12.645 -3.546 -3.384 133 HD12 ILE 18 HD12 ILE 18 11.110 -2.809 -2.913 134 HD13 ILE 18 HD13 ILE 18 11.134 -4.103 -4.114 135 H ASN 19 H ASN 19 11.011 -8.989 -1.319 136 HA ASN 19 HA ASN 19 13.322 -10.779 -1.398 137 HB2 ASN 19 HB2 ASN 19 10.360 -11.375 -1.071 138 HB3 ASN 19 HB3 ASN 19 11.647 -12.565 -1.019 139 HD21 ASN 19 HD21 ASN 19 9.884 -12.343 1.078 140 HD22 ASN 19 HD22 ASN 19 10.702 -11.705 2.458 141 H GLU 20 H GLU 20 14.102 -10.956 -3.417 142 HA GLU 20 HA GLU 20 12.254 -11.875 -5.518 143 HB2 GLU 20 HB2 GLU 20 14.754 -10.204 -5.850 144 HB3 GLU 20 HB3 GLU 20 13.917 -10.970 -7.186 145 HG2 GLU 20 HG2 GLU 20 11.917 -9.613 -6.627 146 HG3 GLU 20 HG3 GLU 20 12.853 -8.814 -5.375 147 H ASP 21 H ASP 21 13.548 -13.228 -7.240 148 HA ASP 21 HA ASP 21 14.578 -15.200 -7.722 149 HB2 ASP 21 HB2 ASP 21 16.303 -14.471 -5.384 150 HB3 ASP 21 HB3 ASP 21 16.524 -15.953 -6.291 151 H VAL 22 H VAL 22 12.702 -14.665 -5.235 152 HA VAL 22 HA VAL 22 12.508 -17.412 -4.238 153 HB VAL 22 HB VAL 22 10.917 -16.472 -2.558 154 HG11 VAL 22 HG11 VAL 22 12.590 -15.316 -1.196 155 HG12 VAL 22 HG12 VAL 22 13.614 -15.132 -2.620 156 HG13 VAL 22 HG13 VAL 22 13.260 -16.743 -1.990 157 HG21 VAL 22 HG21 VAL 22 10.070 -14.511 -3.751 158 HG22 VAL 22 HG22 VAL 22 11.671 -13.769 -3.703 159 HG23 VAL 22 HG23 VAL 22 10.775 -14.028 -2.208 160 H SER 23 H SER 23 9.915 -17.759 -3.677 161 HA SER 23 HA SER 23 8.545 -17.931 -6.195 162 HB2 SER 23 HB2 SER 23 6.746 -18.896 -4.869 163 HB3 SER 23 HB3 SER 23 8.271 -19.528 -4.258 164 HG SER 23 HG SER 23 8.016 -18.442 -2.442 165 HA PRO 24 HA PRO 24 7.025 -14.547 -7.467 166 HB2 PRO 24 HB2 PRO 24 4.465 -14.131 -5.963 167 HB3 PRO 24 HB3 PRO 24 4.789 -13.941 -7.690 168 HG2 PRO 24 HG2 PRO 24 3.620 -16.098 -6.825 169 HG3 PRO 24 HG3 PRO 24 4.748 -16.220 -8.000 170 HD2 PRO 24 HD2 PRO 24 4.978 -16.987 -5.271 171 HD3 PRO 24 HD3 PRO 24 5.714 -17.654 -6.567 172 H ALA 25 H ALA 25 7.909 -12.646 -7.158 173 HA ALA 25 HA ALA 25 9.225 -12.114 -4.823 174 HB1 ALA 25 HB1 ALA 25 9.901 -9.990 -5.810 175 HB2 ALA 25 HB2 ALA 25 8.647 -10.164 -7.037 176 HB3 ALA 25 HB3 ALA 25 9.988 -11.306 -6.980 177 H GLU 26 H GLU 26 9.143 -10.770 -3.204 178 HA GLU 26 HA GLU 26 6.489 -9.722 -2.606 179 HB2 GLU 26 HB2 GLU 26 8.170 -10.913 -0.454 180 HB3 GLU 26 HB3 GLU 26 6.450 -10.774 -0.542 181 HG2 GLU 26 HG2 GLU 26 6.313 -12.608 -2.101 182 HG3 GLU 26 HG3 GLU 26 8.065 -12.707 -2.171 183 H LEU 27 H LEU 27 6.508 -8.313 -0.619 184 HA LEU 27 HA LEU 27 8.975 -6.749 -0.321 185 HB2 LEU 27 HB2 LEU 27 7.492 -5.461 -1.667 186 HB3 LEU 27 HB3 LEU 27 6.146 -5.775 -0.645 187 HG LEU 27 HG LEU 27 7.297 -4.337 1.085 188 HD11 LEU 27 HD11 LEU 27 8.983 -3.448 -1.215 189 HD12 LEU 27 HD12 LEU 27 9.536 -4.355 0.192 190 HD13 LEU 27 HD13 LEU 27 8.917 -2.717 0.390 191 HD21 LEU 27 HD21 LEU 27 5.397 -3.499 -0.106 192 HD22 LEU 27 HD22 LEU 27 6.415 -3.040 -1.467 193 HD23 LEU 27 HD23 LEU 27 6.587 -2.213 0.083 194 H THR 28 H THR 28 9.719 -7.180 1.637 195 HA THR 28 HA THR 28 7.802 -8.001 3.712 196 HB THR 28 HB THR 28 10.697 -8.807 3.338 197 HG1 THR 28 HG1 THR 28 8.206 -10.115 2.970 198 HG21 THR 28 HG21 THR 28 10.319 -10.362 5.225 199 HG22 THR 28 HG22 THR 28 8.736 -9.630 5.494 200 HG23 THR 28 HG23 THR 28 10.206 -8.675 5.731 201 H TRP 29 H TRP 29 7.412 -6.380 5.059 202 HA TRP 29 HA TRP 29 9.537 -4.643 5.999 203 HB2 TRP 29 HB2 TRP 29 7.326 -3.636 5.702 204 HB3 TRP 29 HB3 TRP 29 6.611 -4.817 6.783 205 HD1 TRP 29 HD1 TRP 29 8.699 -1.618 6.812 206 HE1 TRP 29 HE1 TRP 29 8.794 -0.682 9.208 207 HE3 TRP 29 HE3 TRP 29 6.452 -5.491 9.299 208 HZ2 TRP 29 HZ2 TRP 29 8.018 -1.472 11.800 209 HZ3 TRP 29 HZ3 TRP 29 6.171 -5.312 11.737 210 HH2 TRP 29 HH2 TRP 29 6.944 -3.345 12.957 211 H ARG 30 H ARG 30 10.659 -4.905 7.810 212 HA ARG 30 HA ARG 30 9.676 -6.802 9.834 213 HB2 ARG 30 HB2 ARG 30 12.548 -6.397 8.985 214 HB3 ARG 30 HB3 ARG 30 12.022 -7.366 10.348 215 HG2 ARG 30 HG2 ARG 30 10.786 -8.825 8.812 216 HG3 ARG 30 HG3 ARG 30 11.411 -7.885 7.464 217 HD2 ARG 30 HD2 ARG 30 13.044 -9.388 9.470 218 HD3 ARG 30 HD3 ARG 30 12.698 -9.934 7.835 219 HE ARG 30 HE ARG 30 14.557 -7.843 8.633 220 HH11 ARG 30 HH11 ARG 30 12.932 -9.460 5.969 221 HH12 ARG 30 HH12 ARG 30 14.047 -8.869 4.783 222 HH21 ARG 30 HH21 ARG 30 16.001 -7.085 7.062 223 HH22 ARG 30 HH22 ARG 30 15.783 -7.528 5.402 224 H SER 31 H SER 31 10.331 -6.311 12.027 225 HA SER 31 HA SER 31 10.244 -3.540 12.648 226 HB2 SER 31 HB2 SER 31 10.355 -4.248 14.977 227 HB3 SER 31 HB3 SER 31 9.312 -5.353 14.086 228 HG SER 31 HG SER 31 10.761 -6.445 15.483 229 H THR 32 H THR 32 11.998 -2.506 14.165 230 HA THR 32 HA THR 32 14.389 -2.276 12.738 231 HB THR 32 HB THR 32 14.034 -1.605 15.661 232 HG1 THR 32 HG1 THR 32 13.041 0.170 15.013 233 HG21 THR 32 HG21 THR 32 15.862 -0.060 15.353 234 HG22 THR 32 HG22 THR 32 15.958 -0.450 13.638 235 HG23 THR 32 HG23 THR 32 16.389 -1.666 14.843 236 H ASP 33 H ASP 33 13.597 -4.469 15.358 237 HA ASP 33 HA ASP 33 16.260 -5.690 15.193 238 HB2 ASP 33 HB2 ASP 33 13.937 -6.294 17.046 239 HB3 ASP 33 HB3 ASP 33 15.516 -7.065 17.117 240 H GLY 34 H GLY 34 12.935 -6.133 14.286 241 HA2 GLY 34 HA2 GLY 34 12.270 -7.396 12.408 242 HA3 GLY 34 HA3 GLY 34 13.661 -8.443 12.622 243 H ASP 35 H ASP 35 11.864 -7.713 15.465 244 HA ASP 35 HA ASP 35 11.022 -10.409 15.863 245 HB2 ASP 35 HB2 ASP 35 9.932 -9.532 17.896 246 HB3 ASP 35 HB3 ASP 35 11.583 -8.944 17.745 247 H LYS 36 H LYS 36 9.482 -7.516 14.609 248 HA LYS 36 HA LYS 36 7.017 -9.043 14.077 249 HB2 LYS 36 HB2 LYS 36 7.500 -6.058 14.213 250 HB3 LYS 36 HB3 LYS 36 6.018 -6.769 13.629 251 HG2 LYS 36 HG2 LYS 36 5.577 -7.744 15.775 252 HG3 LYS 36 HG3 LYS 36 7.144 -7.206 16.379 253 HD2 LYS 36 HD2 LYS 36 6.114 -4.859 15.495 254 HD3 LYS 36 HD3 LYS 36 4.640 -5.705 15.994 255 HE2 LYS 36 HE2 LYS 36 5.265 -4.657 17.936 256 HE3 LYS 36 HE3 LYS 36 5.999 -6.244 18.139 257 HZ1 LYS 36 HZ1 LYS 36 7.405 -3.808 17.184 258 HZ2 LYS 36 HZ2 LYS 36 8.105 -5.333 17.390 259 HZ3 LYS 36 HZ3 LYS 36 7.536 -4.479 18.733 260 H VAL 37 H VAL 37 6.366 -9.361 11.979 261 HA VAL 37 HA VAL 37 7.890 -8.104 9.831 262 HB VAL 37 HB VAL 37 9.265 -10.003 10.300 263 HG11 VAL 37 HG11 VAL 37 8.503 -12.329 10.208 264 HG12 VAL 37 HG12 VAL 37 6.839 -11.772 10.028 265 HG13 VAL 37 HG13 VAL 37 7.728 -11.428 11.511 266 HG21 VAL 37 HG21 VAL 37 7.733 -10.880 7.878 267 HG22 VAL 37 HG22 VAL 37 9.473 -10.952 8.179 268 HG23 VAL 37 HG23 VAL 37 8.687 -9.399 7.890 269 H HIS 38 H HIS 38 6.731 -7.708 8.044 270 HA HIS 38 HA HIS 38 4.192 -9.137 7.580 271 HB2 HIS 38 HB2 HIS 38 4.719 -6.169 7.222 272 HB3 HIS 38 HB3 HIS 38 3.260 -6.992 6.691 273 HD1 HIS 38 HD1 HIS 38 1.715 -7.970 8.649 274 HD2 HIS 38 HD2 HIS 38 4.723 -5.364 9.846 275 HE1 HIS 38 HE1 HIS 38 1.099 -7.257 10.980 276 HE2 HIS 38 HE2 HIS 38 2.883 -5.610 11.648 277 H THR 39 H THR 39 3.647 -9.477 5.347 278 HA THR 39 HA THR 39 5.867 -9.013 3.466 279 HB THR 39 HB THR 39 4.400 -11.625 3.891 280 HG1 THR 39 HG1 THR 39 6.296 -12.314 4.701 281 HG21 THR 39 HG21 THR 39 4.764 -11.287 1.490 282 HG22 THR 39 HG22 THR 39 5.828 -12.548 2.111 283 HG23 THR 39 HG23 THR 39 6.467 -10.936 1.792 284 H VAL 40 H VAL 40 5.310 -8.130 1.600 285 HA VAL 40 HA VAL 40 2.513 -8.289 0.658 286 HB VAL 40 HB VAL 40 4.672 -6.229 0.178 287 HG11 VAL 40 HG11 VAL 40 3.110 -6.576 -1.820 288 HG12 VAL 40 HG12 VAL 40 3.276 -4.935 -1.186 289 HG13 VAL 40 HG13 VAL 40 1.856 -5.895 -0.778 290 HG21 VAL 40 HG21 VAL 40 2.091 -6.014 1.675 291 HG22 VAL 40 HG22 VAL 40 3.203 -4.683 1.348 292 HG23 VAL 40 HG23 VAL 40 3.718 -6.033 2.357 293 H VAL 41 H VAL 41 2.431 -9.990 -0.815 294 HA VAL 41 HA VAL 41 4.617 -10.525 -2.632 295 HB VAL 41 HB VAL 41 1.817 -11.750 -2.564 296 HG11 VAL 41 HG11 VAL 41 2.809 -13.570 -3.911 297 HG12 VAL 41 HG12 VAL 41 4.319 -12.665 -4.011 298 HG13 VAL 41 HG13 VAL 41 2.857 -12.024 -4.759 299 HG21 VAL 41 HG21 VAL 41 3.047 -12.223 -0.515 300 HG22 VAL 41 HG22 VAL 41 4.448 -12.755 -1.450 301 HG23 VAL 41 HG23 VAL 41 2.944 -13.682 -1.503 302 H LEU 42 H LEU 42 4.826 -9.589 -4.619 303 HA LEU 42 HA LEU 42 3.042 -7.438 -5.202 304 HB2 LEU 42 HB2 LEU 42 5.528 -8.382 -6.606 305 HB3 LEU 42 HB3 LEU 42 4.556 -7.082 -7.236 306 HG LEU 42 HG LEU 42 6.625 -7.005 -5.236 307 HD11 LEU 42 HD11 LEU 42 6.268 -5.532 -7.251 308 HD12 LEU 42 HD12 LEU 42 6.721 -4.730 -5.753 309 HD13 LEU 42 HD13 LEU 42 5.046 -4.695 -6.291 310 HD21 LEU 42 HD21 LEU 42 4.019 -5.773 -4.385 311 HD22 LEU 42 HD22 LEU 42 5.581 -5.567 -3.594 312 HD23 LEU 42 HD23 LEU 42 4.807 -7.151 -3.615 313 H SER 43 H SER 43 3.380 -10.656 -6.545 314 HA SER 43 HA SER 43 1.947 -10.219 -8.969 315 HB2 SER 43 HB2 SER 43 1.600 -12.664 -8.978 316 HB3 SER 43 HB3 SER 43 3.272 -12.253 -8.609 317 HG SER 43 HG SER 43 2.187 -13.901 -7.247 318 H THR 44 H THR 44 0.983 -9.829 -5.852 319 HA THR 44 HA THR 44 -1.869 -10.258 -6.467 320 HB THR 44 HB THR 44 -2.308 -10.457 -4.100 321 HG1 THR 44 HG1 THR 44 0.447 -10.213 -3.505 322 HG21 THR 44 HG21 THR 44 -1.038 -12.457 -3.489 323 HG22 THR 44 HG22 THR 44 0.129 -12.098 -4.764 324 HG23 THR 44 HG23 THR 44 -1.537 -12.515 -5.182 325 H ILE 45 H ILE 45 0.367 -7.972 -6.572 326 HA ILE 45 HA ILE 45 -1.278 -5.783 -5.474 327 HB ILE 45 HB ILE 45 1.706 -5.975 -5.952 328 HG12 ILE 45 HG12 ILE 45 0.791 -7.014 -3.850 329 HG13 ILE 45 HG13 ILE 45 1.995 -5.766 -3.583 330 HG21 ILE 45 HG21 ILE 45 0.313 -3.509 -4.926 331 HG22 ILE 45 HG22 ILE 45 0.857 -3.723 -6.589 332 HG23 ILE 45 HG23 ILE 45 2.034 -3.714 -5.275 333 HD11 ILE 45 HD11 ILE 45 0.301 -4.213 -2.862 334 HD12 ILE 45 HD12 ILE 45 0.107 -5.724 -1.975 335 HD13 ILE 45 HD13 ILE 45 -0.978 -5.345 -3.301 336 H ASP 46 H ASP 46 -1.790 -4.044 -6.784 337 HA ASP 46 HA ASP 46 -1.301 -4.456 -9.657 338 HB2 ASP 46 HB2 ASP 46 -3.636 -4.760 -9.046 339 HB3 ASP 46 HB3 ASP 46 -3.680 -3.196 -8.269 340 H LYS 47 H LYS 47 -1.630 -1.905 -7.156 341 HA LYS 47 HA LYS 47 0.065 -0.183 -8.851 342 HB2 LYS 47 HB2 LYS 47 -2.384 0.716 -7.331 343 HB3 LYS 47 HB3 LYS 47 -1.212 1.817 -8.007 344 HG2 LYS 47 HG2 LYS 47 -1.746 1.037 -10.257 345 HG3 LYS 47 HG3 LYS 47 -2.907 -0.105 -9.581 346 HD2 LYS 47 HD2 LYS 47 -4.234 1.742 -8.691 347 HD3 LYS 47 HD3 LYS 47 -3.059 2.901 -9.310 348 HE2 LYS 47 HE2 LYS 47 -3.555 2.235 -11.581 349 HE3 LYS 47 HE3 LYS 47 -4.681 1.005 -11.012 350 HZ1 LYS 47 HZ1 LYS 47 -6.065 2.771 -10.088 351 HZ2 LYS 47 HZ2 LYS 47 -5.834 3.007 -11.746 352 HZ3 LYS 47 HZ3 LYS 47 -4.972 3.941 -10.631 353 H LEU 48 H LEU 48 0.817 1.815 -7.537 354 HA LEU 48 HA LEU 48 1.241 1.342 -4.693 355 HB2 LEU 48 HB2 LEU 48 3.806 1.947 -5.212 356 HB3 LEU 48 HB3 LEU 48 3.257 0.293 -5.137 357 HG LEU 48 HG LEU 48 2.940 0.525 -7.699 358 HD11 LEU 48 HD11 LEU 48 5.212 2.216 -7.974 359 HD12 LEU 48 HD12 LEU 48 3.959 3.099 -7.100 360 HD13 LEU 48 HD13 LEU 48 3.603 2.402 -8.676 361 HD21 LEU 48 HD21 LEU 48 4.572 -0.893 -6.495 362 HD22 LEU 48 HD22 LEU 48 5.706 0.468 -6.537 363 HD23 LEU 48 HD23 LEU 48 5.151 -0.269 -8.038 364 H GLN 49 H GLN 49 1.148 3.304 -3.655 365 HA GLN 49 HA GLN 49 1.573 5.742 -5.270 366 HB2 GLN 49 HB2 GLN 49 -0.639 5.282 -3.231 367 HB3 GLN 49 HB3 GLN 49 -0.287 6.816 -3.997 368 HG2 GLN 49 HG2 GLN 49 -0.791 5.821 -6.192 369 HG3 GLN 49 HG3 GLN 49 -1.224 4.310 -5.398 370 HE21 GLN 49 HE21 GLN 49 -2.130 6.695 -3.356 371 HE22 GLN 49 HE22 GLN 49 -3.769 6.924 -3.854 372 H ALA 50 H ALA 50 3.220 6.920 -4.484 373 HA ALA 50 HA ALA 50 3.807 6.795 -1.595 374 HB1 ALA 50 HB1 ALA 50 5.550 5.924 -3.179 375 HB2 ALA 50 HB2 ALA 50 6.105 7.177 -2.073 376 HB3 ALA 50 HB3 ALA 50 5.745 7.578 -3.754 377 H THR 51 H THR 51 4.414 8.689 -0.462 378 HA THR 51 HA THR 51 3.038 11.076 -1.130 379 HB THR 51 HB THR 51 4.261 12.129 0.767 380 HG1 THR 51 HG1 THR 51 6.210 11.155 0.888 381 HG21 THR 51 HG21 THR 51 2.965 9.429 1.218 382 HG22 THR 51 HG22 THR 51 2.233 11.030 1.373 383 HG23 THR 51 HG23 THR 51 3.440 10.491 2.542 384 HA PRO 52 HA PRO 52 6.035 12.806 -4.149 385 HB2 PRO 52 HB2 PRO 52 4.576 15.281 -3.356 386 HB3 PRO 52 HB3 PRO 52 4.977 14.684 -4.968 387 HG2 PRO 52 HG2 PRO 52 2.551 14.450 -4.003 388 HG3 PRO 52 HG3 PRO 52 3.181 13.283 -4.956 389 HD2 PRO 52 HD2 PRO 52 2.730 13.173 -2.131 390 HD3 PRO 52 HD3 PRO 52 2.738 11.927 -3.188 391 H ALA 53 H ALA 53 7.754 14.349 -4.120 392 HA ALA 53 HA ALA 53 9.010 14.709 -1.582 393 HB1 ALA 53 HB1 ALA 53 10.810 15.769 -2.840 394 HB2 ALA 53 HB2 ALA 53 9.790 15.802 -4.281 395 HB3 ALA 53 HB3 ALA 53 10.299 14.259 -3.593 396 H SER 54 H SER 54 6.627 16.456 -3.099 397 HA SER 54 HA SER 54 7.288 18.972 -1.752 398 HB2 SER 54 HB2 SER 54 5.416 19.914 -3.018 399 HB3 SER 54 HB3 SER 54 6.580 19.143 -4.083 400 HG SER 54 HG SER 54 5.199 17.386 -4.270 401 H SER 55 H SER 55 5.391 16.154 -1.418 402 HA SER 55 HA SER 55 3.239 17.159 0.123 403 HB2 SER 55 HB2 SER 55 2.844 15.123 -0.930 404 HB3 SER 55 HB3 SER 55 4.337 14.406 -0.325 405 HG SER 55 HG SER 55 2.202 15.239 1.342 406 H GLU 56 H GLU 56 2.972 17.462 2.218 407 HA GLU 56 HA GLU 56 5.005 17.821 4.082 408 HB2 GLU 56 HB2 GLU 56 2.162 17.126 4.690 409 HB3 GLU 56 HB3 GLU 56 3.284 17.984 5.728 410 HG2 GLU 56 HG2 GLU 56 1.835 19.545 4.800 411 HG3 GLU 56 HG3 GLU 56 3.370 19.787 4.009 412 H LYS 57 H LYS 57 3.279 15.031 3.165 413 HA LYS 57 HA LYS 57 3.702 13.485 5.541 414 HB2 LYS 57 HB2 LYS 57 2.461 12.955 2.872 415 HB3 LYS 57 HB3 LYS 57 2.585 11.746 4.109 416 HG2 LYS 57 HG2 LYS 57 1.258 13.209 5.585 417 HG3 LYS 57 HG3 LYS 57 1.057 14.310 4.245 418 HD2 LYS 57 HD2 LYS 57 -0.042 12.499 2.979 419 HD3 LYS 57 HD3 LYS 57 0.070 11.478 4.417 420 HE2 LYS 57 HE2 LYS 57 -1.364 14.126 4.222 421 HE3 LYS 57 HE3 LYS 57 -2.104 12.519 4.257 422 HZ1 LYS 57 HZ1 LYS 57 -0.479 13.699 6.449 423 HZ2 LYS 57 HZ2 LYS 57 -1.235 12.186 6.473 424 HZ3 LYS 57 HZ3 LYS 57 -2.169 13.595 6.430 425 H MET 58 H MET 58 4.841 11.575 5.736 426 HA MET 58 HA MET 58 6.557 10.764 3.481 427 HB2 MET 58 HB2 MET 58 7.184 10.399 6.419 428 HB3 MET 58 HB3 MET 58 8.197 9.912 5.083 429 HG2 MET 58 HG2 MET 58 8.549 12.234 4.468 430 HG3 MET 58 HG3 MET 58 7.467 12.756 5.755 431 HE1 MET 58 HE1 MET 58 10.963 13.935 7.093 432 HE2 MET 58 HE2 MET 58 9.255 14.382 6.970 433 HE3 MET 58 HE3 MET 58 10.195 14.077 5.508 434 H MET 59 H MET 59 5.329 9.179 2.621 435 HA MET 59 HA MET 59 4.835 6.772 4.114 436 HB2 MET 59 HB2 MET 59 2.534 8.330 2.973 437 HB3 MET 59 HB3 MET 59 2.419 6.715 3.614 438 HG2 MET 59 HG2 MET 59 2.919 7.498 5.794 439 HG3 MET 59 HG3 MET 59 3.257 9.117 5.226 440 HE1 MET 59 HE1 MET 59 1.397 10.364 7.014 441 HE2 MET 59 HE2 MET 59 1.485 8.761 7.725 442 HE3 MET 59 HE3 MET 59 -0.086 9.499 7.434 443 H LEU 60 H LEU 60 4.236 4.982 2.830 444 HA LEU 60 HA LEU 60 4.272 5.357 -0.080 445 HB2 LEU 60 HB2 LEU 60 6.502 4.703 0.358 446 HB3 LEU 60 HB3 LEU 60 6.008 3.523 1.546 447 HG LEU 60 HG LEU 60 4.853 2.459 -0.651 448 HD11 LEU 60 HD11 LEU 60 6.149 2.690 -2.560 449 HD12 LEU 60 HD12 LEU 60 7.429 3.555 -1.706 450 HD13 LEU 60 HD13 LEU 60 5.869 4.333 -1.995 451 HD21 LEU 60 HD21 LEU 60 6.245 1.125 0.712 452 HD22 LEU 60 HD22 LEU 60 7.665 2.101 0.330 453 HD23 LEU 60 HD23 LEU 60 6.932 1.084 -0.917 454 H ARG 61 H ARG 61 2.508 4.448 -0.943 455 HA ARG 61 HA ARG 61 1.041 2.497 0.685 456 HB2 ARG 61 HB2 ARG 61 -0.105 4.638 0.177 457 HB3 ARG 61 HB3 ARG 61 -0.064 4.232 -1.525 458 HG2 ARG 61 HG2 ARG 61 -1.595 2.566 -1.318 459 HG3 ARG 61 HG3 ARG 61 -1.290 2.323 0.398 460 HD2 ARG 61 HD2 ARG 61 -2.596 4.787 -0.756 461 HD3 ARG 61 HD3 ARG 61 -3.497 3.386 -0.178 462 HE ARG 61 HE ARG 61 -1.915 4.008 1.921 463 HH11 ARG 61 HH11 ARG 61 -4.157 5.936 0.024 464 HH12 ARG 61 HH12 ARG 61 -4.519 7.007 1.333 465 HH21 ARG 61 HH21 ARG 61 -2.400 5.420 3.615 466 HH22 ARG 61 HH22 ARG 61 -3.523 6.715 3.369 467 H LEU 62 H LEU 62 0.159 0.664 -0.165 468 HA LEU 62 HA LEU 62 1.094 -0.221 -2.816 469 HB2 LEU 62 HB2 LEU 62 1.400 -1.471 -0.124 470 HB3 LEU 62 HB3 LEU 62 1.140 -2.524 -1.493 471 HG LEU 62 HG LEU 62 3.477 -2.461 -0.966 472 HD11 LEU 62 HD11 LEU 62 2.875 -2.623 -3.299 473 HD12 LEU 62 HD12 LEU 62 4.414 -1.788 -3.085 474 HD13 LEU 62 HD13 LEU 62 2.954 -0.868 -3.452 475 HD21 LEU 62 HD21 LEU 62 3.562 -0.273 0.172 476 HD22 LEU 62 HD22 LEU 62 3.453 0.523 -1.396 477 HD23 LEU 62 HD23 LEU 62 4.850 -0.486 -1.017 478 H ILE 63 H ILE 63 -0.762 -0.353 -3.970 479 HA ILE 63 HA ILE 63 -3.298 -1.084 -2.730 480 HB ILE 63 HB ILE 63 -2.641 -0.305 -5.578 481 HG12 ILE 63 HG12 ILE 63 -4.184 1.338 -3.573 482 HG13 ILE 63 HG13 ILE 63 -2.464 1.531 -3.818 483 HG21 ILE 63 HG21 ILE 63 -5.357 -0.680 -4.338 484 HG22 ILE 63 HG22 ILE 63 -4.627 -1.689 -5.588 485 HG23 ILE 63 HG23 ILE 63 -5.051 -0.013 -5.944 486 HD11 ILE 63 HD11 ILE 63 -4.596 1.987 -5.878 487 HD12 ILE 63 HD12 ILE 63 -2.855 2.193 -6.120 488 HD13 ILE 63 HD13 ILE 63 -3.715 3.229 -4.982 489 H GLY 64 H GLY 64 -4.554 -2.880 -3.309 490 HA2 GLY 64 HA2 GLY 64 -2.923 -5.166 -4.147 491 HA3 GLY 64 HA3 GLY 64 -4.363 -5.248 -3.154 492 H LYS 65 H LYS 65 -3.850 -6.892 -5.337 493 HA LYS 65 HA LYS 65 -5.415 -6.037 -7.598 494 HB2 LYS 65 HB2 LYS 65 -3.484 -7.583 -7.788 495 HB3 LYS 65 HB3 LYS 65 -4.397 -8.795 -6.900 496 HG2 LYS 65 HG2 LYS 65 -6.136 -8.673 -8.680 497 HG3 LYS 65 HG3 LYS 65 -5.036 -7.640 -9.595 498 HD2 LYS 65 HD2 LYS 65 -4.296 -10.377 -8.603 499 HD3 LYS 65 HD3 LYS 65 -4.990 -10.079 -10.195 500 HE2 LYS 65 HE2 LYS 65 -3.119 -8.551 -10.685 501 HE3 LYS 65 HE3 LYS 65 -2.427 -8.906 -9.107 502 HZ1 LYS 65 HZ1 LYS 65 -2.867 -10.875 -11.290 503 HZ2 LYS 65 HZ2 LYS 65 -2.174 -11.210 -9.783 504 HZ3 LYS 65 HZ3 LYS 65 -1.379 -10.187 -10.871 505 H VAL 66 H VAL 66 -7.534 -6.432 -7.990 506 HA VAL 66 HA VAL 66 -9.076 -7.480 -5.748 507 HB VAL 66 HB VAL 66 -10.101 -5.932 -8.139 508 HG11 VAL 66 HG11 VAL 66 -11.405 -6.572 -5.503 509 HG12 VAL 66 HG12 VAL 66 -11.779 -7.327 -7.052 510 HG13 VAL 66 HG13 VAL 66 -12.110 -5.612 -6.802 511 HG21 VAL 66 HG21 VAL 66 -8.623 -4.484 -6.884 512 HG22 VAL 66 HG22 VAL 66 -9.421 -4.929 -5.378 513 HG23 VAL 66 HG23 VAL 66 -10.298 -4.007 -6.601 514 H ASP 67 H ASP 67 -10.170 -9.296 -5.825 515 HA ASP 67 HA ASP 67 -10.777 -10.535 -8.420 516 HB2 ASP 67 HB2 ASP 67 -9.542 -11.947 -6.786 517 HB3 ASP 67 HB3 ASP 67 -10.877 -11.780 -5.649 518 H GLU 68 H GLU 68 -12.523 -9.189 -8.918 519 HA GLU 68 HA GLU 68 -14.715 -8.917 -7.035 520 HB2 GLU 68 HB2 GLU 68 -15.696 -7.377 -8.628 521 HB3 GLU 68 HB3 GLU 68 -13.999 -6.983 -8.398 522 HG2 GLU 68 HG2 GLU 68 -13.479 -8.182 -10.521 523 HG3 GLU 68 HG3 GLU 68 -15.213 -8.425 -10.748 524 H SER 69 H SER 69 -13.860 -11.290 -9.165 525 HA SER 69 HA SER 69 -16.417 -11.969 -10.272 526 HB2 SER 69 HB2 SER 69 -15.351 -14.012 -11.027 527 HB3 SER 69 HB3 SER 69 -14.238 -12.667 -11.281 528 HG SER 69 HG SER 69 -13.179 -14.450 -10.342 529 H LYS 70 H LYS 70 -15.042 -12.299 -7.200 530 HA LYS 70 HA LYS 70 -16.786 -14.498 -6.364 531 HB2 LYS 70 HB2 LYS 70 -14.569 -12.998 -4.963 532 HB3 LYS 70 HB3 LYS 70 -15.569 -14.203 -4.166 533 HG2 LYS 70 HG2 LYS 70 -14.823 -15.883 -5.765 534 HG3 LYS 70 HG3 LYS 70 -13.845 -14.681 -6.585 535 HD2 LYS 70 HD2 LYS 70 -12.460 -14.411 -4.579 536 HD3 LYS 70 HD3 LYS 70 -13.472 -15.556 -3.704 537 HE2 LYS 70 HE2 LYS 70 -12.783 -17.340 -5.228 538 HE3 LYS 70 HE3 LYS 70 -11.800 -16.197 -6.138 539 HZ1 LYS 70 HZ1 LYS 70 -11.394 -16.929 -3.290 540 HZ2 LYS 70 HZ2 LYS 70 -10.444 -15.843 -4.173 541 HZ3 LYS 70 HZ3 LYS 70 -10.462 -17.482 -4.589 542 H LYS 71 H LYS 71 -18.003 -12.139 -7.178 543 HA LYS 71 HA LYS 71 -18.772 -10.160 -5.504 544 HB2 LYS 71 HB2 LYS 71 -19.616 -10.504 -7.819 545 HB3 LYS 71 HB3 LYS 71 -20.716 -11.732 -7.201 546 HG2 LYS 71 HG2 LYS 71 -22.037 -10.182 -6.101 547 HG3 LYS 71 HG3 LYS 71 -20.780 -8.957 -6.105 548 HD2 LYS 71 HD2 LYS 71 -22.120 -9.985 -8.595 549 HD3 LYS 71 HD3 LYS 71 -22.654 -8.541 -7.723 550 HE2 LYS 71 HE2 LYS 71 -20.218 -7.750 -7.976 551 HE3 LYS 71 HE3 LYS 71 -20.096 -9.032 -9.177 552 HZ1 LYS 71 HZ1 LYS 71 -21.828 -8.008 -10.460 553 HZ2 LYS 71 HZ2 LYS 71 -20.624 -6.859 -10.156 554 HZ3 LYS 71 HZ3 LYS 71 -22.069 -6.823 -9.278 555 H ARG 72 H ARG 72 -19.471 -10.065 -3.500 556 HA ARG 72 HA ARG 72 -20.827 -12.388 -2.329 557 HB2 ARG 72 HB2 ARG 72 -18.682 -11.694 -1.325 558 HB3 ARG 72 HB3 ARG 72 -19.339 -10.098 -1.033 559 HG2 ARG 72 HG2 ARG 72 -20.842 -10.909 0.616 560 HG3 ARG 72 HG3 ARG 72 -20.512 -12.586 0.181 561 HD2 ARG 72 HD2 ARG 72 -19.344 -12.034 2.223 562 HD3 ARG 72 HD3 ARG 72 -18.177 -12.286 0.925 563 HE ARG 72 HE ARG 72 -17.651 -10.025 0.969 564 HH11 ARG 72 HH11 ARG 72 -20.282 -10.661 3.210 565 HH12 ARG 72 HH12 ARG 72 -20.129 -9.129 4.002 566 HH21 ARG 72 HH21 ARG 72 -17.470 -8.030 2.024 567 HH22 ARG 72 HH22 ARG 72 -18.538 -7.641 3.330 568 H LYS 73 H LYS 73 -22.741 -12.153 -1.183 569 HA LYS 73 HA LYS 73 -24.023 -9.497 -1.220 570 HB2 LYS 73 HB2 LYS 73 -25.367 -12.173 -1.706 571 HB3 LYS 73 HB3 LYS 73 -26.202 -10.639 -1.543 572 HG2 LYS 73 HG2 LYS 73 -25.027 -9.794 -3.512 573 HG3 LYS 73 HG3 LYS 73 -24.235 -11.353 -3.683 574 HD2 LYS 73 HD2 LYS 73 -26.413 -12.422 -3.977 575 HD3 LYS 73 HD3 LYS 73 -27.202 -10.853 -3.820 576 HE2 LYS 73 HE2 LYS 73 -26.108 -10.056 -5.823 577 HE3 LYS 73 HE3 LYS 73 -25.165 -11.545 -5.938 578 HZ1 LYS 73 HZ1 LYS 73 -27.021 -11.572 -7.472 579 HZ2 LYS 73 HZ2 LYS 73 -28.119 -11.329 -6.208 580 HZ3 LYS 73 HZ3 LYS 73 -27.230 -12.767 -6.291 581 H ASP 74 H ASP 74 -25.077 -8.905 0.634 582 HA ASP 74 HA ASP 74 -24.247 -10.272 3.019 583 HB2 ASP 74 HB2 ASP 74 -25.074 -8.330 4.221 584 HB3 ASP 74 HB3 ASP 74 -24.149 -7.808 2.825 585 H ASN 75 H ASN 75 -26.252 -9.829 4.881 586 HA ASN 75 HA ASN 75 -27.684 -12.206 4.746 587 HB2 ASN 75 HB2 ASN 75 -28.141 -9.735 6.409 588 HB3 ASN 75 HB3 ASN 75 -29.055 -11.219 6.640 589 HD21 ASN 75 HD21 ASN 75 -27.438 -9.980 8.580 590 HD22 ASN 75 HD22 ASN 75 -26.137 -11.049 8.965 591 H GLU 76 H GLU 76 -28.654 -9.036 3.593 592 HA GLU 76 HA GLU 76 -31.443 -9.826 3.314 593 HB2 GLU 76 HB2 GLU 76 -30.008 -7.235 2.712 594 HB3 GLU 76 HB3 GLU 76 -31.724 -7.487 2.426 595 HG2 GLU 76 HG2 GLU 76 -32.017 -7.956 4.837 596 HG3 GLU 76 HG3 GLU 76 -30.313 -7.591 5.085 597 H GLY 77 H GLY 77 -28.614 -9.861 1.414 598 HA2 GLY 77 HA2 GLY 77 -28.507 -11.019 -0.663 599 HA3 GLY 77 HA3 GLY 77 -30.179 -10.584 -0.967 600 H ASN 78 H ASN 78 -28.048 -8.140 0.216 601 HA ASN 78 HA ASN 78 -28.209 -6.721 -2.330 602 HB2 ASN 78 HB2 ASN 78 -27.283 -5.812 0.409 603 HB3 ASN 78 HB3 ASN 78 -27.343 -4.782 -1.014 604 HD21 ASN 78 HD21 ASN 78 -28.877 -5.415 1.738 605 HD22 ASN 78 HD22 ASN 78 -30.505 -5.027 1.305 606 H GLU 79 H GLU 79 -26.392 -5.841 -3.371 607 HA GLU 79 HA GLU 79 -24.194 -7.643 -3.551 608 HB2 GLU 79 HB2 GLU 79 -25.133 -6.354 -5.468 609 HB3 GLU 79 HB3 GLU 79 -24.512 -4.874 -4.753 610 HG2 GLU 79 HG2 GLU 79 -22.246 -5.672 -5.039 611 HG3 GLU 79 HG3 GLU 79 -22.852 -7.195 -5.681 612 H VAL 80 H VAL 80 -22.515 -7.741 -2.256 613 HA VAL 80 HA VAL 80 -21.219 -5.232 -1.456 614 HB VAL 80 HB VAL 80 -21.287 -7.697 0.309 615 HG11 VAL 80 HG11 VAL 80 -20.136 -4.955 0.785 616 HG12 VAL 80 HG12 VAL 80 -19.224 -6.439 0.515 617 HG13 VAL 80 HG13 VAL 80 -20.201 -6.259 1.971 618 HG21 VAL 80 HG21 VAL 80 -22.664 -5.059 0.798 619 HG22 VAL 80 HG22 VAL 80 -22.674 -6.465 1.862 620 HG23 VAL 80 HG23 VAL 80 -23.470 -6.541 0.288 621 H VAL 81 H VAL 81 -19.615 -5.158 -2.856 622 HA VAL 81 HA VAL 81 -18.328 -7.642 -3.637 623 HB VAL 81 HB VAL 81 -18.309 -4.950 -4.986 624 HG11 VAL 81 HG11 VAL 81 -16.971 -7.493 -5.885 625 HG12 VAL 81 HG12 VAL 81 -16.200 -5.955 -5.485 626 HG13 VAL 81 HG13 VAL 81 -17.225 -6.083 -6.914 627 HG21 VAL 81 HG21 VAL 81 -19.619 -6.013 -6.757 628 HG22 VAL 81 HG22 VAL 81 -20.447 -6.076 -5.200 629 HG23 VAL 81 HG23 VAL 81 -19.645 -7.514 -5.832 630 HA PRO 82 HA PRO 82 -14.827 -6.797 -0.986 631 HB2 PRO 82 HB2 PRO 82 -13.388 -8.549 -2.926 632 HB3 PRO 82 HB3 PRO 82 -13.471 -8.658 -1.163 633 HG2 PRO 82 HG2 PRO 82 -14.898 -10.289 -2.546 634 HG3 PRO 82 HG3 PRO 82 -15.616 -9.547 -1.280 635 HD2 PRO 82 HD2 PRO 82 -15.863 -8.816 -4.084 636 HD3 PRO 82 HD3 PRO 82 -17.082 -8.993 -3.011 637 H LYS 83 H LYS 83 -13.426 -5.227 -0.908 638 HA LYS 83 HA LYS 83 -12.718 -3.795 -3.361 639 HB2 LYS 83 HB2 LYS 83 -12.245 -1.911 -1.893 640 HB3 LYS 83 HB3 LYS 83 -13.825 -2.554 -1.526 641 HG2 LYS 83 HG2 LYS 83 -12.871 -3.727 0.430 642 HG3 LYS 83 HG3 LYS 83 -11.309 -3.009 0.070 643 HD2 LYS 83 HD2 LYS 83 -12.295 -0.782 0.402 644 HD3 LYS 83 HD3 LYS 83 -13.838 -1.528 0.806 645 HE2 LYS 83 HE2 LYS 83 -12.747 -2.650 2.728 646 HE3 LYS 83 HE3 LYS 83 -11.241 -1.827 2.324 647 HZ1 LYS 83 HZ1 LYS 83 -12.424 -0.686 4.092 648 HZ2 LYS 83 HZ2 LYS 83 -13.781 -0.496 3.101 649 HZ3 LYS 83 HZ3 LYS 83 -12.336 0.292 2.713 650 HA PRO 84 HA PRO 84 -8.395 -4.781 -3.349 651 HB2 PRO 84 HB2 PRO 84 -7.047 -2.476 -3.700 652 HB3 PRO 84 HB3 PRO 84 -7.957 -3.244 -4.995 653 HG2 PRO 84 HG2 PRO 84 -8.745 -0.979 -3.316 654 HG3 PRO 84 HG3 PRO 84 -8.872 -1.131 -4.938 655 HD2 PRO 84 HD2 PRO 84 -11.110 -1.821 -3.412 656 HD3 PRO 84 HD3 PRO 84 -10.801 -2.726 -4.735 657 H GLN 85 H GLN 85 -6.592 -4.958 -2.119 658 HA GLN 85 HA GLN 85 -6.716 -3.792 0.557 659 HB2 GLN 85 HB2 GLN 85 -4.869 -5.939 -0.464 660 HB3 GLN 85 HB3 GLN 85 -5.055 -5.445 1.207 661 HG2 GLN 85 HG2 GLN 85 -7.173 -6.749 -0.491 662 HG3 GLN 85 HG3 GLN 85 -6.213 -7.536 0.748 663 HE21 GLN 85 HE21 GLN 85 -9.218 -6.700 0.273 664 HE22 GLN 85 HE22 GLN 85 -9.683 -6.120 1.832 665 H ARG 86 H ARG 86 -5.639 -2.101 1.032 666 HA ARG 86 HA ARG 86 -3.294 -1.325 -0.589 667 HB2 ARG 86 HB2 ARG 86 -5.375 0.382 0.764 668 HB3 ARG 86 HB3 ARG 86 -3.942 1.022 -0.007 669 HG2 ARG 86 HG2 ARG 86 -4.728 0.117 -2.156 670 HG3 ARG 86 HG3 ARG 86 -6.186 -0.469 -1.357 671 HD2 ARG 86 HD2 ARG 86 -6.852 1.782 -0.805 672 HD3 ARG 86 HD3 ARG 86 -5.328 2.425 -1.403 673 HE ARG 86 HE ARG 86 -6.059 2.065 -3.612 674 HH11 ARG 86 HH11 ARG 86 -8.545 1.164 -1.291 675 HH12 ARG 86 HH12 ARG 86 -9.814 1.193 -2.470 676 HH21 ARG 86 HH21 ARG 86 -7.740 2.103 -5.128 677 HH22 ARG 86 HH22 ARG 86 -9.358 1.722 -4.637 678 H HIS 87 H HIS 87 -1.456 -0.845 0.409 679 HA HIS 87 HA HIS 87 -1.342 -1.125 3.348 680 HB2 HIS 87 HB2 HIS 87 0.657 -2.201 1.340 681 HB3 HIS 87 HB3 HIS 87 0.762 -2.372 3.085 682 HD1 HIS 87 HD1 HIS 87 -1.077 -3.969 4.188 683 HD2 HIS 87 HD2 HIS 87 -0.784 -4.120 0.042 684 HE1 HIS 87 HE1 HIS 87 -2.219 -6.104 3.507 685 HE2 HIS 87 HE2 HIS 87 -1.954 -6.215 1.006 686 H MET 88 H MET 88 -0.698 0.744 4.237 687 HA MET 88 HA MET 88 1.106 2.508 2.726 688 HB2 MET 88 HB2 MET 88 -1.062 3.470 3.477 689 HB3 MET 88 HB3 MET 88 -0.608 3.140 5.130 690 HG2 MET 88 HG2 MET 88 1.256 4.721 4.962 691 HG3 MET 88 HG3 MET 88 0.819 5.031 3.304 692 HE1 MET 88 HE1 MET 88 -0.968 4.712 6.726 693 HE2 MET 88 HE2 MET 88 -1.561 6.350 6.972 694 HE3 MET 88 HE3 MET 88 0.177 6.035 6.977 695 H PHE 89 H PHE 89 3.053 3.008 3.376 696 HA PHE 89 HA PHE 89 4.015 2.101 6.015 697 HB2 PHE 89 HB2 PHE 89 5.492 2.332 3.373 698 HB3 PHE 89 HB3 PHE 89 6.289 2.035 4.908 699 HD1 PHE 89 HD1 PHE 89 4.283 0.595 2.230 700 HD2 PHE 89 HD2 PHE 89 6.049 -0.134 6.032 701 HE1 PHE 89 HE1 PHE 89 3.979 -1.822 1.887 702 HE2 PHE 89 HE2 PHE 89 5.736 -2.555 5.709 703 HZ PHE 89 HZ PHE 89 4.700 -3.397 3.645 704 H SER 90 H SER 90 5.834 3.524 6.883 705 HA SER 90 HA SER 90 5.594 6.300 5.907 706 HB2 SER 90 HB2 SER 90 4.861 6.770 7.970 707 HB3 SER 90 HB3 SER 90 5.410 5.233 8.626 708 HG SER 90 HG SER 90 6.514 7.635 8.895 709 H PHE 91 H PHE 91 7.451 7.560 5.831 710 HA PHE 91 HA PHE 91 9.991 6.066 5.859 711 HB2 PHE 91 HB2 PHE 91 8.690 7.554 3.608 712 HB3 PHE 91 HB3 PHE 91 10.445 7.524 3.705 713 HD1 PHE 91 HD1 PHE 91 7.686 5.045 4.156 714 HD2 PHE 91 HD2 PHE 91 11.411 5.962 2.306 715 HE1 PHE 91 HE1 PHE 91 7.686 2.835 3.072 716 HE2 PHE 91 HE2 PHE 91 11.406 3.756 1.215 717 HZ PHE 91 HZ PHE 91 9.572 2.212 1.562 718 H ASN 92 H ASN 92 11.875 7.664 5.366 719 HA ASN 92 HA ASN 92 11.457 10.190 6.824 720 HB2 ASN 92 HB2 ASN 92 13.885 8.373 6.912 721 HB3 ASN 92 HB3 ASN 92 13.782 9.946 7.686 722 HD21 ASN 92 HD21 ASN 92 13.401 6.651 8.126 723 HD22 ASN 92 HD22 ASN 92 12.509 6.685 9.605 724 H ASN 93 H ASN 93 12.577 8.662 3.966 725 HA ASN 93 HA ASN 93 13.566 11.204 2.904 726 HB2 ASN 93 HB2 ASN 93 15.507 9.763 3.741 727 HB3 ASN 93 HB3 ASN 93 15.115 8.652 2.434 728 HD21 ASN 93 HD21 ASN 93 17.539 10.174 2.880 729 HD22 ASN 93 HD22 ASN 93 17.757 11.171 1.486 730 H ARG 94 H ARG 94 13.261 11.494 0.732 731 HA ARG 94 HA ARG 94 11.194 9.961 -0.537 732 HB2 ARG 94 HB2 ARG 94 11.280 12.352 -0.842 733 HB3 ARG 94 HB3 ARG 94 12.880 12.247 -1.535 734 HG2 ARG 94 HG2 ARG 94 11.410 10.642 -3.195 735 HG3 ARG 94 HG3 ARG 94 10.266 11.899 -2.754 736 HD2 ARG 94 HD2 ARG 94 11.884 13.602 -3.488 737 HD3 ARG 94 HD3 ARG 94 12.986 12.320 -3.957 738 HE ARG 94 HE ARG 94 10.329 12.568 -5.204 739 HH11 ARG 94 HH11 ARG 94 13.824 12.395 -5.634 740 HH12 ARG 94 HH12 ARG 94 13.711 12.302 -7.359 741 HH21 ARG 94 HH21 ARG 94 10.229 12.440 -7.455 742 HH22 ARG 94 HH22 ARG 94 11.686 12.329 -8.385 743 H THR 95 H THR 95 14.658 10.080 -0.762 744 HA THR 95 HA THR 95 14.888 8.892 -3.352 745 HB THR 95 HB THR 95 17.309 8.676 -2.802 746 HG1 THR 95 HG1 THR 95 17.806 8.577 -0.751 747 HG21 THR 95 HG21 THR 95 17.801 11.074 -2.535 748 HG22 THR 95 HG22 THR 95 16.128 11.364 -2.058 749 HG23 THR 95 HG23 THR 95 16.496 10.816 -3.692 750 H VAL 96 H VAL 96 14.409 7.603 -0.163 751 HA VAL 96 HA VAL 96 15.256 4.922 -0.866 752 HB VAL 96 HB VAL 96 13.584 5.790 1.520 753 HG11 VAL 96 HG11 VAL 96 13.410 3.366 0.845 754 HG12 VAL 96 HG12 VAL 96 14.018 3.641 2.475 755 HG13 VAL 96 HG13 VAL 96 15.136 3.224 1.175 756 HG21 VAL 96 HG21 VAL 96 16.532 5.148 1.447 757 HG22 VAL 96 HG22 VAL 96 15.595 5.681 2.846 758 HG23 VAL 96 HG23 VAL 96 15.864 6.778 1.490 759 H MET 97 H MET 97 12.047 6.338 -0.022 760 HA MET 97 HA MET 97 10.380 4.287 -0.734 761 HB2 MET 97 HB2 MET 97 8.605 5.904 -1.097 762 HB3 MET 97 HB3 MET 97 9.588 6.397 0.267 763 HG2 MET 97 HG2 MET 97 10.681 8.053 -1.052 764 HG3 MET 97 HG3 MET 97 9.797 7.557 -2.490 765 HE1 MET 97 HE1 MET 97 8.121 9.958 1.072 766 HE2 MET 97 HE2 MET 97 9.807 9.520 0.802 767 HE3 MET 97 HE3 MET 97 8.650 8.293 1.321 768 H ASP 98 H ASP 98 11.533 6.801 -3.012 769 HA ASP 98 HA ASP 98 10.244 5.736 -5.307 770 HB2 ASP 98 HB2 ASP 98 12.597 7.593 -4.892 771 HB3 ASP 98 HB3 ASP 98 12.133 7.076 -6.505 772 H ASN 99 H ASN 99 13.240 4.847 -3.729 773 HA ASN 99 HA ASN 99 14.235 3.250 -5.931 774 HB2 ASN 99 HB2 ASN 99 15.160 3.982 -3.207 775 HB3 ASN 99 HB3 ASN 99 15.709 2.425 -3.802 776 HD21 ASN 99 HD21 ASN 99 17.127 4.960 -3.254 777 HD22 ASN 99 HD22 ASN 99 17.963 5.346 -4.715 778 H ILE 100 H ILE 100 12.469 2.658 -2.893 779 HA ILE 100 HA ILE 100 12.313 -0.187 -3.213 780 HB ILE 100 HB ILE 100 10.469 1.688 -1.683 781 HG12 ILE 100 HG12 ILE 100 12.700 1.714 -0.703 782 HG13 ILE 100 HG13 ILE 100 11.597 0.892 0.363 783 HG21 ILE 100 HG21 ILE 100 10.640 -1.272 -1.205 784 HG22 ILE 100 HG22 ILE 100 9.489 -0.569 -2.333 785 HG23 ILE 100 HG23 ILE 100 9.427 -0.128 -0.626 786 HD11 ILE 100 HD11 ILE 100 13.738 -0.204 0.354 787 HD12 ILE 100 HD12 ILE 100 13.679 -0.388 -1.399 788 HD13 ILE 100 HD13 ILE 100 12.534 -1.262 -0.383 789 H LYS 101 H LYS 101 10.008 2.465 -3.845 790 HA LYS 101 HA LYS 101 7.985 1.364 -5.285 791 HB2 LYS 101 HB2 LYS 101 8.341 3.766 -4.719 792 HB3 LYS 101 HB3 LYS 101 9.453 3.875 -6.056 793 HG2 LYS 101 HG2 LYS 101 7.694 3.334 -7.603 794 HG3 LYS 101 HG3 LYS 101 6.541 3.150 -6.291 795 HD2 LYS 101 HD2 LYS 101 6.895 5.532 -5.742 796 HD3 LYS 101 HD3 LYS 101 7.949 5.686 -7.113 797 HE2 LYS 101 HE2 LYS 101 6.107 5.057 -8.605 798 HE3 LYS 101 HE3 LYS 101 5.049 4.903 -7.215 799 HZ1 LYS 101 HZ1 LYS 101 4.734 7.026 -8.311 800 HZ2 LYS 101 HZ2 LYS 101 6.371 7.407 -8.106 801 HZ3 LYS 101 HZ3 LYS 101 5.362 7.260 -6.756 802 H MET 102 H MET 102 11.075 2.441 -6.613 803 HA MET 102 HA MET 102 10.702 1.859 -9.298 804 HB2 MET 102 HB2 MET 102 12.556 3.172 -8.350 805 HB3 MET 102 HB3 MET 102 13.233 1.722 -7.672 806 HG2 MET 102 HG2 MET 102 13.481 0.844 -10.000 807 HG3 MET 102 HG3 MET 102 13.007 2.446 -10.566 808 HE1 MET 102 HE1 MET 102 15.944 4.677 -9.172 809 HE2 MET 102 HE2 MET 102 14.379 4.348 -8.429 810 HE3 MET 102 HE3 MET 102 14.483 4.673 -10.159 811 H THR 103 H THR 103 12.303 -0.249 -6.865 812 HA THR 103 HA THR 103 12.584 -2.520 -8.468 813 HB THR 103 HB THR 103 12.125 -2.426 -5.473 814 HG1 THR 103 HG1 THR 103 14.633 -2.833 -5.924 815 HG21 THR 103 HG21 THR 103 11.840 -4.699 -6.417 816 HG22 THR 103 HG22 THR 103 13.271 -4.585 -5.393 817 HG23 THR 103 HG23 THR 103 13.439 -4.577 -7.151 818 H LEU 104 H LEU 104 10.031 -1.975 -6.006 819 HA LEU 104 HA LEU 104 8.246 -3.966 -6.435 820 HB2 LEU 104 HB2 LEU 104 7.656 -1.020 -6.024 821 HB3 LEU 104 HB3 LEU 104 6.464 -2.275 -5.823 822 HG LEU 104 HG LEU 104 8.936 -1.899 -4.143 823 HD11 LEU 104 HD11 LEU 104 7.500 -0.236 -3.434 824 HD12 LEU 104 HD12 LEU 104 7.024 -1.576 -2.393 825 HD13 LEU 104 HD13 LEU 104 6.060 -1.175 -3.810 826 HD21 LEU 104 HD21 LEU 104 8.069 -4.291 -4.464 827 HD22 LEU 104 HD22 LEU 104 6.673 -3.753 -3.519 828 HD23 LEU 104 HD23 LEU 104 8.290 -3.698 -2.820 829 H GLN 105 H GLN 105 8.120 -0.826 -8.063 830 HA GLN 105 HA GLN 105 6.088 -1.279 -9.881 831 HB2 GLN 105 HB2 GLN 105 7.071 0.924 -9.392 832 HB3 GLN 105 HB3 GLN 105 8.521 0.488 -10.268 833 HG2 GLN 105 HG2 GLN 105 7.034 1.925 -11.581 834 HG3 GLN 105 HG3 GLN 105 7.281 0.357 -12.339 835 HE21 GLN 105 HE21 GLN 105 5.516 -0.300 -13.297 836 HE22 GLN 105 HE22 GLN 105 3.902 -0.143 -12.701 837 H GLN 106 H GLN 106 9.508 -2.178 -10.217 838 HA GLN 106 HA GLN 106 9.296 -3.018 -12.948 839 HB2 GLN 106 HB2 GLN 106 11.361 -3.478 -10.822 840 HB3 GLN 106 HB3 GLN 106 11.482 -4.190 -12.424 841 HG2 GLN 106 HG2 GLN 106 11.491 -1.948 -13.418 842 HG3 GLN 106 HG3 GLN 106 11.338 -1.266 -11.825 843 HE21 GLN 106 HE21 GLN 106 13.331 -0.288 -13.162 844 HE22 GLN 106 HE22 GLN 106 14.854 -0.932 -12.661 845 H ILE 107 H ILE 107 8.564 -4.438 -9.900 846 HA ILE 107 HA ILE 107 8.685 -7.182 -10.776 847 HB ILE 107 HB ILE 107 7.707 -5.923 -8.195 848 HG12 ILE 107 HG12 ILE 107 10.193 -7.562 -8.788 849 HG13 ILE 107 HG13 ILE 107 10.154 -5.825 -8.646 850 HG21 ILE 107 HG21 ILE 107 7.996 -8.862 -8.818 851 HG22 ILE 107 HG22 ILE 107 6.477 -7.988 -8.610 852 HG23 ILE 107 HG23 ILE 107 7.587 -8.159 -7.251 853 HD11 ILE 107 HD11 ILE 107 9.413 -7.647 -6.384 854 HD12 ILE 107 HD12 ILE 107 9.719 -5.912 -6.323 855 HD13 ILE 107 HD13 ILE 107 11.044 -7.032 -6.652 856 H ILE 108 H ILE 108 6.090 -4.804 -10.140 857 HA ILE 108 HA ILE 108 3.954 -6.688 -10.495 858 HB ILE 108 HB ILE 108 3.810 -3.656 -10.561 859 HG12 ILE 108 HG12 ILE 108 2.993 -5.420 -8.284 860 HG13 ILE 108 HG13 ILE 108 4.663 -4.946 -8.463 861 HG21 ILE 108 HG21 ILE 108 1.609 -5.689 -10.119 862 HG22 ILE 108 HG22 ILE 108 1.853 -4.780 -11.611 863 HG23 ILE 108 HG23 ILE 108 1.422 -3.932 -10.123 864 HD11 ILE 108 HD11 ILE 108 3.352 -3.555 -6.889 865 HD12 ILE 108 HD12 ILE 108 2.405 -2.988 -8.265 866 HD13 ILE 108 HD13 ILE 108 4.134 -2.661 -8.186 867 H SER 109 H SER 109 5.578 -4.376 -12.570 868 HA SER 109 HA SER 109 3.907 -4.587 -14.845 869 HB2 SER 109 HB2 SER 109 5.756 -3.609 -16.083 870 HB3 SER 109 HB3 SER 109 5.595 -2.799 -14.524 871 HG SER 109 HG SER 109 7.759 -3.835 -15.488 872 H ARG 110 H ARG 110 6.228 -6.769 -13.508 873 HA ARG 110 HA ARG 110 6.525 -8.449 -15.828 874 HB2 ARG 110 HB2 ARG 110 7.075 -8.917 -12.903 875 HB3 ARG 110 HB3 ARG 110 7.369 -10.126 -14.145 876 HG2 ARG 110 HG2 ARG 110 8.963 -8.675 -15.222 877 HG3 ARG 110 HG3 ARG 110 8.629 -7.395 -14.061 878 HD2 ARG 110 HD2 ARG 110 9.399 -8.894 -12.248 879 HD3 ARG 110 HD3 ARG 110 9.809 -10.091 -13.475 880 HE ARG 110 HE ARG 110 11.342 -8.265 -14.370 881 HH11 ARG 110 HH11 ARG 110 10.635 -8.637 -10.947 882 HH12 ARG 110 HH12 ARG 110 12.135 -7.929 -10.446 883 HH21 ARG 110 HH21 ARG 110 13.296 -7.346 -13.688 884 HH22 ARG 110 HH22 ARG 110 13.638 -7.200 -11.996 885 H TYR 111 H TYR 111 4.543 -8.501 -12.900 886 HA TYR 111 HA TYR 111 2.987 -10.798 -13.751 887 HB2 TYR 111 HB2 TYR 111 2.539 -8.920 -11.424 888 HB3 TYR 111 HB3 TYR 111 1.718 -10.450 -11.694 889 HD1 TYR 111 HD1 TYR 111 4.540 -8.863 -10.206 890 HD2 TYR 111 HD2 TYR 111 3.175 -12.579 -11.776 891 HE1 TYR 111 HE1 TYR 111 6.322 -10.031 -8.984 892 HE2 TYR 111 HE2 TYR 111 4.959 -13.752 -10.563 893 HH TYR 111 HH TYR 111 7.157 -13.262 -9.609 894 H LYS 112 H LYS 112 3.056 -7.688 -14.711 895 HA LYS 112 HA LYS 112 0.191 -7.267 -15.034 896 HB2 LYS 112 HB2 LYS 112 1.646 -5.399 -14.372 897 HB3 LYS 112 HB3 LYS 112 2.578 -5.596 -15.848 898 HG2 LYS 112 HG2 LYS 112 1.182 -3.810 -16.330 899 HG3 LYS 112 HG3 LYS 112 0.349 -5.173 -17.049 900 HD2 LYS 112 HD2 LYS 112 -1.130 -5.309 -15.082 901 HD3 LYS 112 HD3 LYS 112 -0.292 -3.934 -14.368 902 HE2 LYS 112 HE2 LYS 112 -1.045 -2.535 -16.282 903 HE3 LYS 112 HE3 LYS 112 -1.944 -3.914 -16.902 904 HZ1 LYS 112 HZ1 LYS 112 -2.411 -2.668 -14.247 905 HZ2 LYS 112 HZ2 LYS 112 -3.335 -3.886 -14.967 906 HZ3 LYS 112 HZ3 LYS 112 -3.319 -2.335 -15.634 907 H ASP 113 H ASP 113 3.075 -8.076 -16.850 908 HA ASP 113 HA ASP 113 1.602 -8.359 -19.348 909 HB2 ASP 113 HB2 ASP 113 4.542 -8.566 -18.675 910 HB3 ASP 113 HB3 ASP 113 3.878 -8.786 -20.279 911 H ALA 114 H ALA 114 2.882 -10.217 -16.729 912 HA ALA 114 HA ALA 114 2.077 -12.700 -18.037 913 HB1 ALA 114 HB1 ALA 114 4.708 -12.362 -16.598 914 HB2 ALA 114 HB2 ALA 114 4.498 -12.560 -18.338 915 HB3 ALA 114 HB3 ALA 114 4.071 -13.875 -17.242 916 H ASP 115 H ASP 115 0.223 -12.313 -16.697 917 HA ASP 115 HA ASP 115 0.603 -12.907 -13.856 918 HB2 ASP 115 HB2 ASP 115 -0.792 -10.964 -14.346 919 HB3 ASP 115 HB3 ASP 115 -1.878 -11.955 -15.305 920 H1 GLY 519 H1 GLY 519 -20.543 19.414 7.235 921 H2 GLY 519 H2 GLY 519 -21.004 19.126 5.633 922 H3 GLY 519 H3 GLY 519 -19.407 18.847 6.115 923 HA2 GLY 519 HA2 GLY 519 -20.593 16.759 5.905 924 HA3 GLY 519 HA3 GLY 519 -20.108 17.059 7.566 925 H SER 520 H SER 520 -22.603 16.099 5.624 926 HA SER 520 HA SER 520 -24.677 16.960 7.522 927 HB2 SER 520 HB2 SER 520 -25.263 17.608 5.292 928 HB3 SER 520 HB3 SER 520 -24.857 16.017 4.653 929 HG SER 520 HG SER 520 -27.060 16.095 4.856 930 HA PRO 521 HA PRO 521 -24.565 12.690 8.982 931 HB2 PRO 521 HB2 PRO 521 -26.556 12.883 10.834 932 HB3 PRO 521 HB3 PRO 521 -24.930 13.507 11.096 933 HG2 PRO 521 HG2 PRO 521 -27.343 14.944 10.328 934 HG3 PRO 521 HG3 PRO 521 -26.160 15.408 11.354 935 HD2 PRO 521 HD2 PRO 521 -26.357 16.309 8.947 936 HD3 PRO 521 HD3 PRO 521 -24.937 16.236 9.750 937 H GLY 522 H GLY 522 -25.524 10.834 8.379 938 HA2 GLY 522 HA2 GLY 522 -28.106 10.079 8.205 939 HA3 GLY 522 HA3 GLY 522 -27.881 10.952 6.698 940 H TYR 523 H TYR 523 -25.540 8.896 8.387 941 HA TYR 523 HA TYR 523 -25.718 6.940 6.195 942 HB2 TYR 523 HB2 TYR 523 -23.163 7.992 7.442 943 HB3 TYR 523 HB3 TYR 523 -23.251 6.677 6.277 944 HD1 TYR 523 HD1 TYR 523 -23.244 10.275 6.742 945 HD2 TYR 523 HD2 TYR 523 -23.938 7.161 3.924 946 HE1 TYR 523 HE1 TYR 523 -23.060 11.900 4.907 947 HE2 TYR 523 HE2 TYR 523 -23.756 8.780 2.081 948 HH TYR 523 HH TYR 523 -22.538 11.918 2.505 949 HA PRO 524 HA PRO 524 -26.273 4.519 10.099 950 HB2 PRO 524 HB2 PRO 524 -27.334 2.566 8.116 951 HB3 PRO 524 HB3 PRO 524 -28.016 3.071 9.667 952 HG2 PRO 524 HG2 PRO 524 -29.093 3.995 7.511 953 HG3 PRO 524 HG3 PRO 524 -28.786 5.069 8.702 954 HD2 PRO 524 HD2 PRO 524 -27.005 4.578 6.346 955 HD3 PRO 524 HD3 PRO 524 -27.542 6.046 6.819 956 H ASN 525 H ASN 525 -24.995 3.344 7.000 957 HA ASN 525 HA ASN 525 -23.274 1.441 8.447 958 HB2 ASN 525 HB2 ASN 525 -24.181 1.462 5.560 959 HB3 ASN 525 HB3 ASN 525 -22.978 0.347 6.200 960 HD21 ASN 525 HD21 ASN 525 -25.671 -0.074 5.025 961 HD22 ASN 525 HD22 ASN 525 -26.533 -1.009 6.195 962 H GLY 526 H GLY 526 -21.105 1.594 8.350 963 HA2 GLY 526 HA2 GLY 526 -19.410 2.553 6.486 964 HA3 GLY 526 HA3 GLY 526 -19.972 4.026 7.255 965 H LEU 527 H LEU 527 -20.198 2.896 9.906 966 HA LEU 527 HA LEU 527 -17.349 2.858 10.597 967 HB2 LEU 527 HB2 LEU 527 -19.754 3.463 12.302 968 HB3 LEU 527 HB3 LEU 527 -18.101 3.493 12.874 969 HG LEU 527 HG LEU 527 -19.260 5.373 10.796 970 HD11 LEU 527 HD11 LEU 527 -19.192 7.056 12.551 971 HD12 LEU 527 HD12 LEU 527 -18.654 5.835 13.704 972 HD13 LEU 527 HD13 LEU 527 -20.255 5.714 12.975 973 HD21 LEU 527 HD21 LEU 527 -16.900 5.164 10.434 974 HD22 LEU 527 HD22 LEU 527 -16.569 5.358 12.160 975 HD23 LEU 527 HD23 LEU 527 -17.208 6.715 11.228 976 H LEU 528 H LEU 528 -18.994 0.500 9.705 977 HA LEU 528 HA LEU 528 -19.499 -1.175 11.923 978 HB2 LEU 528 HB2 LEU 528 -19.038 -1.805 9.001 979 HB3 LEU 528 HB3 LEU 528 -19.551 -2.998 10.170 980 HG LEU 528 HG LEU 528 -21.154 -0.539 9.430 981 HD11 LEU 528 HD11 LEU 528 -21.399 -3.411 8.547 982 HD12 LEU 528 HD12 LEU 528 -20.988 -2.027 7.534 983 HD13 LEU 528 HD13 LEU 528 -22.599 -2.157 8.241 984 HD21 LEU 528 HD21 LEU 528 -22.984 -1.654 10.587 985 HD22 LEU 528 HD22 LEU 528 -21.627 -1.410 11.686 986 HD23 LEU 528 HD23 LEU 528 -21.926 -3.005 10.996 987 H SER 529 H SER 529 -16.655 -0.043 10.741 988 HA SER 529 HA SER 529 -15.044 -1.976 12.188 989 HB2 SER 529 HB2 SER 529 -15.030 -2.922 9.913 990 HB3 SER 529 HB3 SER 529 -14.518 -1.366 9.264 991 HG SER 529 HG SER 529 -12.834 -2.065 11.203 992 H GLY 530 H GLY 530 -14.055 -0.655 13.578 993 HA2 GLY 530 HA2 GLY 530 -13.476 2.101 12.771 994 HA3 GLY 530 HA3 GLY 530 -13.526 1.495 14.418 995 H ASP 531 H ASP 531 -11.728 -0.009 11.777 996 HA ASP 531 HA ASP 531 -9.213 1.046 12.837 997 HB2 ASP 531 HB2 ASP 531 -9.896 -1.868 12.464 998 HB3 ASP 531 HB3 ASP 531 -8.230 -1.305 12.521 999 H GLU 532 H GLU 532 -11.125 0.023 10.231 1000 HA GLU 532 HA GLU 532 -8.950 0.333 8.305 1001 HB2 GLU 532 HB2 GLU 532 -11.606 -1.058 8.093 1002 HB3 GLU 532 HB3 GLU 532 -10.490 -0.866 6.770 1003 HG2 GLU 532 HG2 GLU 532 -8.826 -2.160 8.038 1004 HG3 GLU 532 HG3 GLU 532 -10.013 -2.386 9.318 1005 H ASP 533 H ASP 533 -11.132 2.152 9.662 1006 HA ASP 533 HA ASP 533 -12.250 3.440 7.285 1007 HB2 ASP 533 HB2 ASP 533 -13.706 2.827 9.248 1008 HB3 ASP 533 HB3 ASP 533 -12.840 4.028 10.198 1009 H PHE 534 H PHE 534 -9.455 3.703 8.975 1010 HA PHE 534 HA PHE 534 -9.358 6.616 9.044 1011 HB2 PHE 534 HB2 PHE 534 -7.473 4.515 10.105 1012 HB3 PHE 534 HB3 PHE 534 -7.076 6.227 10.101 1013 HD1 PHE 534 HD1 PHE 534 -8.558 3.590 11.925 1014 HD2 PHE 534 HD2 PHE 534 -8.774 7.797 11.294 1015 HE1 PHE 534 HE1 PHE 534 -9.698 3.853 14.090 1016 HE2 PHE 534 HE2 PHE 534 -9.915 8.064 13.458 1017 HZ PHE 534 HZ PHE 534 -10.377 6.092 14.858 1018 H SER 535 H SER 535 -8.095 3.951 7.249 1019 HA SER 535 HA SER 535 -6.367 5.707 5.690 1020 HB2 SER 535 HB2 SER 535 -5.463 3.681 4.662 1021 HB3 SER 535 HB3 SER 535 -5.375 3.584 6.416 1022 HG SER 535 HG SER 535 -7.711 2.577 5.432 1023 H SER 536 H SER 536 -9.513 4.571 5.621 1024 HA SER 536 HA SER 536 -9.866 4.606 2.753 1025 HB2 SER 536 HB2 SER 536 -12.239 4.354 3.220 1026 HB3 SER 536 HB3 SER 536 -11.330 3.248 4.250 1027 HG SER 536 HG SER 536 -12.338 5.787 5.029 1028 H ILE 537 H ILE 537 -10.084 6.860 5.406 1029 HA ILE 537 HA ILE 537 -10.976 9.033 3.689 1030 HB ILE 537 HB ILE 537 -10.777 10.447 5.725 1031 HG12 ILE 537 HG12 ILE 537 -10.030 7.897 7.185 1032 HG13 ILE 537 HG13 ILE 537 -8.900 9.176 6.776 1033 HG21 ILE 537 HG21 ILE 537 -12.603 9.463 7.049 1034 HG22 ILE 537 HG22 ILE 537 -12.402 7.941 6.179 1035 HG23 ILE 537 HG23 ILE 537 -12.921 9.388 5.314 1036 HD11 ILE 537 HD11 ILE 537 -9.434 9.487 9.045 1037 HD12 ILE 537 HD12 ILE 537 -11.155 9.240 8.758 1038 HD13 ILE 537 HD13 ILE 537 -10.373 10.710 8.181 1039 H ALA 538 H ALA 538 -8.061 7.553 4.699 1040 HA ALA 538 HA ALA 538 -6.436 9.849 4.085 1041 HB1 ALA 538 HB1 ALA 538 -5.943 8.043 5.852 1042 HB2 ALA 538 HB2 ALA 538 -4.615 8.680 4.884 1043 HB3 ALA 538 HB3 ALA 538 -5.322 7.116 4.484 1044 H ASP 539 H ASP 539 -8.083 7.744 2.296 1045 HA ASP 539 HA ASP 539 -6.297 7.648 0.002 1046 HB2 ASP 539 HB2 ASP 539 -9.144 6.754 0.481 1047 HB3 ASP 539 HB3 ASP 539 -8.439 6.760 -1.131 1048 H MET 540 H MET 540 -8.809 9.562 1.383 1049 HA MET 540 HA MET 540 -9.321 11.290 -0.840 1050 HB2 MET 540 HB2 MET 540 -9.767 11.711 2.124 1051 HB3 MET 540 HB3 MET 540 -10.441 12.701 0.838 1052 HG2 MET 540 HG2 MET 540 -11.713 10.773 0.027 1053 HG3 MET 540 HG3 MET 540 -11.022 9.781 1.308 1054 HE1 MET 540 HE1 MET 540 -14.199 13.082 1.815 1055 HE2 MET 540 HE2 MET 540 -13.813 12.274 0.297 1056 HE3 MET 540 HE3 MET 540 -12.650 13.380 1.027 1057 H ASP 541 H ASP 541 -6.946 11.105 1.675 1058 HA ASP 541 HA ASP 541 -5.915 13.768 1.337 1059 HB2 ASP 541 HB2 ASP 541 -5.056 11.372 2.935 1060 HB3 ASP 541 HB3 ASP 541 -4.130 12.853 2.910 1061 H PHE 542 H PHE 542 -5.173 10.535 0.177 1062 HA PHE 542 HA PHE 542 -2.504 11.241 -0.688 1063 HB2 PHE 542 HB2 PHE 542 -3.949 8.813 -0.156 1064 HB3 PHE 542 HB3 PHE 542 -3.198 8.711 -1.743 1065 HD1 PHE 542 HD1 PHE 542 -2.424 9.535 1.807 1066 HD2 PHE 542 HD2 PHE 542 -0.993 8.132 -1.948 1067 HE1 PHE 542 HE1 PHE 542 -0.261 8.984 2.833 1068 HE2 PHE 542 HE2 PHE 542 1.161 7.591 -0.915 1069 HZ PHE 542 HZ PHE 542 1.527 7.997 1.468 1070 H SER 543 H SER 543 -5.641 11.294 -2.076 1071 HA SER 543 HA SER 543 -4.733 11.021 -4.818 1072 HB2 SER 543 HB2 SER 543 -7.093 11.314 -5.414 1073 HB3 SER 543 HB3 SER 543 -6.915 10.106 -4.146 1074 HG SER 543 HG SER 543 -7.939 12.718 -3.986 1075 H ALA 544 H ALA 544 -5.123 13.553 -2.554 1076 HA ALA 544 HA ALA 544 -5.363 15.645 -4.568 1077 HB1 ALA 544 HB1 ALA 544 -6.646 15.846 -2.495 1078 HB2 ALA 544 HB2 ALA 544 -5.506 17.179 -2.677 1079 HB3 ALA 544 HB3 ALA 544 -5.147 15.857 -1.567 1080 H LEU 545 H LEU 545 -2.878 13.948 -2.967 1081 HA LEU 545 HA LEU 545 -0.944 16.092 -2.983 1082 HB2 LEU 545 HB2 LEU 545 -0.747 13.176 -2.277 1083 HB3 LEU 545 HB3 LEU 545 0.588 14.287 -2.184 1084 HG LEU 545 HG LEU 545 -1.937 14.600 -0.585 1085 HD11 LEU 545 HD11 LEU 545 -0.659 13.752 1.309 1086 HD12 LEU 545 HD12 LEU 545 0.711 13.439 0.247 1087 HD13 LEU 545 HD13 LEU 545 -0.791 12.541 0.037 1088 HD21 LEU 545 HD21 LEU 545 0.758 15.944 -0.401 1089 HD22 LEU 545 HD22 LEU 545 -0.515 16.089 0.811 1090 HD23 LEU 545 HD23 LEU 545 -0.780 16.703 -0.820 1091 H LEU 546 H LEU 546 -1.701 13.246 -4.934 1092 HA LEU 546 HA LEU 546 0.776 13.334 -6.418 1093 HB2 LEU 546 HB2 LEU 546 -1.759 11.757 -6.830 1094 HB3 LEU 546 HB3 LEU 546 -0.351 11.596 -7.849 1095 HG LEU 546 HG LEU 546 -0.288 11.087 -4.886 1096 HD11 LEU 546 HD11 LEU 546 -1.903 9.569 -5.870 1097 HD12 LEU 546 HD12 LEU 546 -0.431 8.694 -5.454 1098 HD13 LEU 546 HD13 LEU 546 -0.753 9.127 -7.133 1099 HD21 LEU 546 HD21 LEU 546 1.543 10.266 -7.141 1100 HD22 LEU 546 HD22 LEU 546 1.741 9.813 -5.450 1101 HD23 LEU 546 HD23 LEU 546 1.879 11.502 -5.934 1102 H SER 547 H SER 547 -2.466 14.494 -6.807 1103 HA SER 547 HA SER 547 -1.947 15.460 -9.513 1104 HB2 SER 547 HB2 SER 547 -4.318 16.149 -9.512 1105 HB3 SER 547 HB3 SER 547 -4.139 14.451 -9.078 1106 HG SER 547 HG SER 547 -4.616 14.920 -6.997 1107 H GLN 548 H GLN 548 -3.027 16.880 -6.404 1108 HA GLN 548 HA GLN 548 -2.923 18.957 -5.514 1109 HB2 GLN 548 HB2 GLN 548 -0.224 18.503 -6.658 1110 HB3 GLN 548 HB3 GLN 548 -0.602 20.147 -6.172 1111 HG2 GLN 548 HG2 GLN 548 -1.216 19.289 -3.929 1112 HG3 GLN 548 HG3 GLN 548 -0.669 17.689 -4.427 1113 HE21 GLN 548 HE21 GLN 548 1.439 17.213 -4.314 1114 HE22 GLN 548 HE22 GLN 548 2.678 18.313 -3.829 1115 H ILE 549 H ILE 549 -4.483 20.200 -6.306 1116 HA ILE 549 HA ILE 549 -3.824 21.915 -8.594 1117 HB ILE 549 HB ILE 549 -6.577 20.893 -7.913 1118 HG12 ILE 549 HG12 ILE 549 -5.021 20.299 -10.448 1119 HG13 ILE 549 HG13 ILE 549 -5.095 19.206 -9.081 1120 HG21 ILE 549 HG21 ILE 549 -5.747 22.783 -10.097 1121 HG22 ILE 549 HG22 ILE 549 -6.720 23.159 -8.675 1122 HG23 ILE 549 HG23 ILE 549 -7.353 22.078 -9.916 1123 HD11 ILE 549 HD11 ILE 549 -6.593 18.480 -10.827 1124 HD12 ILE 549 HD12 ILE 549 -7.405 20.042 -10.832 1125 HD13 ILE 549 HD13 ILE 549 -7.530 18.990 -9.424 1126 H SER 550 H SER 550 -3.842 24.012 -8.242 1127 HA SER 550 HA SER 550 -5.083 25.019 -5.766 1128 HB2 SER 550 HB2 SER 550 -3.349 26.796 -5.786 1129 HB3 SER 550 HB3 SER 550 -2.653 25.180 -5.671 1130 HG SER 550 HG SER 550 -1.478 26.080 -7.239 1131 H SER 551 H SER 551 -4.676 25.511 -9.205 1132 HA SER 551 HA SER 551 -5.654 26.825 -10.761 1133 HB2 SER 551 HB2 SER 551 -7.846 27.038 -8.677 1134 HB3 SER 551 HB3 SER 551 -7.999 27.602 -10.341 1135 HG SER 551 HG SER 551 -8.459 25.189 -9.441 Start of MODEL 19 1 H2 PRO 1 H2 PRO 1 20.869 -2.764 -2.597 2 H3 PRO 1 H1 PRO 1 19.498 -2.880 -3.477 3 HA PRO 1 HA PRO 1 21.493 -0.893 -3.439 4 HB2 PRO 1 HB2 PRO 1 20.113 -1.253 -6.079 5 HB3 PRO 1 HB3 PRO 1 21.645 -0.430 -5.707 6 HG2 PRO 1 HG2 PRO 1 21.591 -2.919 -6.633 7 HG3 PRO 1 HG3 PRO 1 22.753 -2.421 -5.600 8 HD2 PRO 1 HD2 PRO 1 20.546 -4.174 -5.009 9 HD3 PRO 1 HD3 PRO 1 21.944 -4.044 -4.175 10 H SER 2 H SER 2 18.268 -1.979 -4.479 11 HA SER 2 HA SER 2 17.093 0.422 -3.266 12 HB2 SER 2 HB2 SER 2 15.589 0.696 -5.208 13 HB3 SER 2 HB3 SER 2 17.280 0.885 -5.665 14 HG SER 2 HG SER 2 15.483 -0.837 -6.619 15 H HIS 3 H HIS 3 17.271 -2.536 -2.622 16 HA HIS 3 HA HIS 3 14.458 -3.319 -2.772 17 HB2 HIS 3 HB2 HIS 3 16.903 -4.915 -2.084 18 HB3 HIS 3 HB3 HIS 3 15.293 -5.564 -2.028 19 HD1 HIS 3 HD1 HIS 3 14.109 -5.967 -4.322 20 HD2 HIS 3 HD2 HIS 3 18.052 -4.684 -4.610 21 HE1 HIS 3 HE1 HIS 3 14.779 -6.387 -6.707 22 HE2 HIS 3 HE2 HIS 3 17.153 -5.562 -6.872 23 H SER 4 H SER 4 16.936 -2.472 -0.469 24 HA SER 4 HA SER 4 14.950 -2.665 1.680 25 HB2 SER 4 HB2 SER 4 16.408 -4.607 1.910 26 HB3 SER 4 HB3 SER 4 17.829 -3.567 1.881 27 HG SER 4 HG SER 4 17.511 -3.091 3.914 28 H GLY 5 H GLY 5 14.889 -1.068 3.112 29 HA2 GLY 5 HA2 GLY 5 17.062 0.869 3.288 30 HA3 GLY 5 HA3 GLY 5 15.506 1.469 2.737 31 H ALA 6 H ALA 6 14.255 2.302 4.249 32 HA ALA 6 HA ALA 6 13.987 0.980 6.832 33 HB1 ALA 6 HB1 ALA 6 14.274 3.013 8.122 34 HB2 ALA 6 HB2 ALA 6 14.664 3.917 6.655 35 HB3 ALA 6 HB3 ALA 6 15.744 2.641 7.222 36 H ALA 7 H ALA 7 11.886 0.956 7.467 37 HA ALA 7 HA ALA 7 10.035 2.996 6.494 38 HB1 ALA 7 HB1 ALA 7 9.966 1.337 4.743 39 HB2 ALA 7 HB2 ALA 7 8.448 1.319 5.644 40 HB3 ALA 7 HB3 ALA 7 9.653 0.068 5.924 41 H ILE 8 H ILE 8 8.046 3.093 7.601 42 HA ILE 8 HA ILE 8 7.911 1.611 10.153 43 HB ILE 8 HB ILE 8 6.814 4.354 9.459 44 HG12 ILE 8 HG12 ILE 8 8.845 3.599 11.561 45 HG13 ILE 8 HG13 ILE 8 9.270 4.175 9.965 46 HG21 ILE 8 HG21 ILE 8 6.517 2.844 12.057 47 HG22 ILE 8 HG22 ILE 8 5.227 3.179 10.902 48 HG23 ILE 8 HG23 ILE 8 6.005 4.508 11.761 49 HD11 ILE 8 HD11 ILE 8 9.406 5.907 11.700 50 HD12 ILE 8 HD12 ILE 8 7.674 5.726 11.986 51 HD13 ILE 8 HD13 ILE 8 8.256 6.309 10.426 52 H PHE 9 H PHE 9 6.064 0.489 10.628 53 HA PHE 9 HA PHE 9 3.744 0.685 8.857 54 HB2 PHE 9 HB2 PHE 9 5.188 -1.081 7.902 55 HB3 PHE 9 HB3 PHE 9 5.164 -1.937 9.433 56 HD1 PHE 9 HD1 PHE 9 3.047 -0.823 6.603 57 HD2 PHE 9 HD2 PHE 9 3.417 -3.431 9.949 58 HE1 PHE 9 HE1 PHE 9 1.039 -2.041 5.873 59 HE2 PHE 9 HE2 PHE 9 1.417 -4.655 9.221 60 HZ PHE 9 HZ PHE 9 0.234 -3.974 7.166 61 H GLU 10 H GLU 10 2.044 0.938 10.087 62 HA GLU 10 HA GLU 10 0.570 0.936 11.802 63 HB2 GLU 10 HB2 GLU 10 1.893 -1.679 12.522 64 HB3 GLU 10 HB3 GLU 10 0.412 -1.082 13.252 65 HG2 GLU 10 HG2 GLU 10 -0.667 -1.107 11.055 66 HG3 GLU 10 HG3 GLU 10 0.814 -1.746 10.342 67 H LYS 11 H LYS 11 2.833 2.453 12.116 68 HA LYS 11 HA LYS 11 3.707 3.927 13.590 69 HB2 LYS 11 HB2 LYS 11 1.949 2.555 15.625 70 HB3 LYS 11 HB3 LYS 11 2.911 3.988 15.956 71 HG2 LYS 11 HG2 LYS 11 1.671 5.172 14.164 72 HG3 LYS 11 HG3 LYS 11 0.649 3.755 13.974 73 HD2 LYS 11 HD2 LYS 11 0.956 5.244 16.575 74 HD3 LYS 11 HD3 LYS 11 -0.300 5.615 15.396 75 HE2 LYS 11 HE2 LYS 11 0.045 2.833 16.444 76 HE3 LYS 11 HE3 LYS 11 -0.851 4.031 17.374 77 HZ1 LYS 11 HZ1 LYS 11 -2.321 4.331 15.463 78 HZ2 LYS 11 HZ2 LYS 11 -2.332 2.725 15.998 79 HZ3 LYS 11 HZ3 LYS 11 -1.469 3.147 14.604 80 H VAL 12 H VAL 12 4.290 0.625 13.855 81 HA VAL 12 HA VAL 12 6.500 0.986 15.730 82 HB VAL 12 HB VAL 12 5.522 -1.528 14.338 83 HG11 VAL 12 HG11 VAL 12 7.708 -1.229 16.366 84 HG12 VAL 12 HG12 VAL 12 7.863 -1.769 14.697 85 HG13 VAL 12 HG13 VAL 12 7.001 -2.762 15.865 86 HG21 VAL 12 HG21 VAL 12 5.243 -0.702 17.223 87 HG22 VAL 12 HG22 VAL 12 4.768 -2.261 16.550 88 HG23 VAL 12 HG23 VAL 12 3.948 -0.789 16.027 89 H SER 13 H SER 13 8.467 1.525 15.056 90 HA SER 13 HA SER 13 8.933 1.839 12.228 91 HB2 SER 13 HB2 SER 13 9.612 3.638 13.745 92 HB3 SER 13 HB3 SER 13 10.703 2.528 14.580 93 HG SER 13 HG SER 13 11.114 3.945 12.320 94 H GLY 14 H GLY 14 10.291 0.787 10.948 95 HA2 GLY 14 HA2 GLY 14 12.078 -1.237 12.025 96 HA3 GLY 14 HA3 GLY 14 10.724 -1.838 11.090 97 H ILE 15 H ILE 15 12.252 -2.745 9.677 98 HA ILE 15 HA ILE 15 13.359 -0.819 7.739 99 HB ILE 15 HB ILE 15 14.617 -3.350 8.817 100 HG12 ILE 15 HG12 ILE 15 15.838 -0.586 8.653 101 HG13 ILE 15 HG13 ILE 15 14.968 -1.185 10.051 102 HG21 ILE 15 HG21 ILE 15 15.514 -1.828 6.375 103 HG22 ILE 15 HG22 ILE 15 14.986 -3.512 6.463 104 HG23 ILE 15 HG23 ILE 15 16.498 -3.021 7.227 105 HD11 ILE 15 HD11 ILE 15 17.290 -1.359 10.495 106 HD12 ILE 15 HD12 ILE 15 17.585 -2.191 8.972 107 HD13 ILE 15 HD13 ILE 15 16.673 -2.995 10.252 108 H ILE 16 H ILE 16 12.993 -1.265 5.597 109 HA ILE 16 HA ILE 16 11.159 -3.477 5.023 110 HB ILE 16 HB ILE 16 11.125 -0.741 4.338 111 HG12 ILE 16 HG12 ILE 16 9.351 -3.077 3.647 112 HG13 ILE 16 HG13 ILE 16 9.150 -1.904 4.938 113 HG21 ILE 16 HG21 ILE 16 11.229 -0.440 2.071 114 HG22 ILE 16 HG22 ILE 16 10.869 -2.135 1.719 115 HG23 ILE 16 HG23 ILE 16 12.488 -1.673 2.268 116 HD11 ILE 16 HD11 ILE 16 8.810 -0.166 3.124 117 HD12 ILE 16 HD12 ILE 16 7.537 -1.359 3.320 118 HD13 ILE 16 HD13 ILE 16 8.687 -1.510 1.991 119 H ALA 17 H ALA 17 11.634 -5.071 3.624 120 HA ALA 17 HA ALA 17 14.031 -4.861 1.939 121 HB1 ALA 17 HB1 ALA 17 14.704 -6.061 3.970 122 HB2 ALA 17 HB2 ALA 17 14.753 -7.111 2.553 123 HB3 ALA 17 HB3 ALA 17 13.419 -7.238 3.698 124 H ILE 18 H ILE 18 13.882 -5.867 -0.045 125 HA ILE 18 HA ILE 18 11.261 -7.009 -0.698 126 HB ILE 18 HB ILE 18 13.392 -5.875 -2.518 127 HG12 ILE 18 HG12 ILE 18 10.546 -5.003 -2.051 128 HG13 ILE 18 HG13 ILE 18 11.927 -4.284 -1.238 129 HG21 ILE 18 HG21 ILE 18 12.335 -7.830 -3.571 130 HG22 ILE 18 HG22 ILE 18 11.967 -6.324 -4.409 131 HG23 ILE 18 HG23 ILE 18 10.757 -7.068 -3.360 132 HD11 ILE 18 HD11 ILE 18 11.075 -4.083 -4.094 133 HD12 ILE 18 HD12 ILE 18 12.758 -3.822 -3.646 134 HD13 ILE 18 HD13 ILE 18 11.498 -2.800 -2.954 135 H ASN 19 H ASN 19 10.994 -9.046 -1.103 136 HA ASN 19 HA ASN 19 13.239 -10.891 -1.243 137 HB2 ASN 19 HB2 ASN 19 10.289 -11.186 -0.679 138 HB3 ASN 19 HB3 ASN 19 11.288 -12.587 -1.034 139 HD21 ASN 19 HD21 ASN 19 10.024 -12.525 1.314 140 HD22 ASN 19 HD22 ASN 19 11.125 -12.239 2.613 141 H GLU 20 H GLU 20 14.007 -11.046 -3.277 142 HA GLU 20 HA GLU 20 12.136 -11.945 -5.363 143 HB2 GLU 20 HB2 GLU 20 14.665 -10.323 -5.702 144 HB3 GLU 20 HB3 GLU 20 13.855 -11.113 -7.033 145 HG2 GLU 20 HG2 GLU 20 11.811 -9.681 -6.182 146 HG3 GLU 20 HG3 GLU 20 13.089 -8.703 -5.482 147 H ASP 21 H ASP 21 13.416 -13.330 -7.082 148 HA ASP 21 HA ASP 21 14.431 -15.313 -7.553 149 HB2 ASP 21 HB2 ASP 21 16.109 -14.748 -5.127 150 HB3 ASP 21 HB3 ASP 21 16.373 -16.087 -6.227 151 H VAL 22 H VAL 22 12.519 -14.749 -5.098 152 HA VAL 22 HA VAL 22 12.283 -17.489 -4.105 153 HB VAL 22 HB VAL 22 10.655 -16.530 -2.462 154 HG11 VAL 22 HG11 VAL 22 13.360 -15.206 -2.472 155 HG12 VAL 22 HG12 VAL 22 12.998 -16.823 -1.866 156 HG13 VAL 22 HG13 VAL 22 12.313 -15.407 -1.067 157 HG21 VAL 22 HG21 VAL 22 9.908 -14.548 -3.740 158 HG22 VAL 22 HG22 VAL 22 11.505 -13.828 -3.537 159 HG23 VAL 22 HG23 VAL 22 10.481 -14.112 -2.131 160 H SER 23 H SER 23 9.668 -17.836 -3.599 161 HA SER 23 HA SER 23 8.332 -17.980 -6.149 162 HB2 SER 23 HB2 SER 23 6.475 -18.921 -4.865 163 HB3 SER 23 HB3 SER 23 7.977 -19.617 -4.274 164 HG SER 23 HG SER 23 6.234 -18.618 -2.769 165 HA PRO 24 HA PRO 24 7.017 -14.546 -7.433 166 HB2 PRO 24 HB2 PRO 24 4.408 -14.039 -6.055 167 HB3 PRO 24 HB3 PRO 24 4.831 -13.842 -7.758 168 HG2 PRO 24 HG2 PRO 24 3.527 -15.955 -6.972 169 HG3 PRO 24 HG3 PRO 24 4.688 -16.100 -8.112 170 HD2 PRO 24 HD2 PRO 24 4.775 -16.959 -5.413 171 HD3 PRO 24 HD3 PRO 24 5.559 -17.593 -6.698 172 H ALA 25 H ALA 25 7.942 -12.692 -7.083 173 HA ALA 25 HA ALA 25 9.182 -12.109 -4.741 174 HB1 ALA 25 HB1 ALA 25 9.983 -11.276 -6.857 175 HB2 ALA 25 HB2 ALA 25 9.786 -9.940 -5.721 176 HB3 ALA 25 HB3 ALA 25 8.590 -10.203 -6.990 177 H GLU 26 H GLU 26 9.068 -10.780 -3.129 178 HA GLU 26 HA GLU 26 6.427 -9.687 -2.540 179 HB2 GLU 26 HB2 GLU 26 7.681 -10.657 -0.163 180 HB3 GLU 26 HB3 GLU 26 6.168 -11.126 -0.851 181 HG2 GLU 26 HG2 GLU 26 7.286 -12.814 -2.220 182 HG3 GLU 26 HG3 GLU 26 8.827 -12.335 -1.522 183 H LEU 27 H LEU 27 6.461 -8.217 -0.596 184 HA LEU 27 HA LEU 27 9.083 -6.960 -0.134 185 HB2 LEU 27 HB2 LEU 27 7.597 -5.365 -1.251 186 HB3 LEU 27 HB3 LEU 27 6.364 -5.648 -0.064 187 HG LEU 27 HG LEU 27 7.868 -4.680 1.681 188 HD11 LEU 27 HD11 LEU 27 9.524 -3.735 -0.643 189 HD12 LEU 27 HD12 LEU 27 9.976 -5.076 0.406 190 HD13 LEU 27 HD13 LEU 27 9.815 -3.457 1.078 191 HD21 LEU 27 HD21 LEU 27 6.093 -3.387 0.605 192 HD22 LEU 27 HD22 LEU 27 7.226 -2.886 -0.652 193 HD23 LEU 27 HD23 LEU 27 7.480 -2.384 1.016 194 H THR 28 H THR 28 9.826 -7.235 1.858 195 HA THR 28 HA THR 28 7.925 -8.139 3.918 196 HB THR 28 HB THR 28 10.829 -8.936 3.574 197 HG1 THR 28 HG1 THR 28 9.976 -10.927 3.011 198 HG21 THR 28 HG21 THR 28 10.284 -8.841 5.953 199 HG22 THR 28 HG22 THR 28 10.389 -10.524 5.428 200 HG23 THR 28 HG23 THR 28 8.808 -9.777 5.668 201 H TRP 29 H TRP 29 7.523 -6.422 5.158 202 HA TRP 29 HA TRP 29 9.645 -4.693 6.109 203 HB2 TRP 29 HB2 TRP 29 7.490 -3.634 5.793 204 HB3 TRP 29 HB3 TRP 29 6.691 -4.841 6.787 205 HD1 TRP 29 HD1 TRP 29 8.725 -1.635 7.031 206 HE1 TRP 29 HE1 TRP 29 8.725 -0.787 9.461 207 HE3 TRP 29 HE3 TRP 29 6.506 -5.653 9.312 208 HZ2 TRP 29 HZ2 TRP 29 7.889 -1.688 11.997 209 HZ3 TRP 29 HZ3 TRP 29 6.150 -5.569 11.747 210 HH2 TRP 29 HH2 TRP 29 6.828 -3.623 13.055 211 H ARG 30 H ARG 30 10.695 -4.885 7.974 212 HA ARG 30 HA ARG 30 9.710 -6.798 9.974 213 HB2 ARG 30 HB2 ARG 30 12.603 -6.270 9.295 214 HB3 ARG 30 HB3 ARG 30 12.008 -7.331 10.555 215 HG2 ARG 30 HG2 ARG 30 10.972 -8.763 8.864 216 HG3 ARG 30 HG3 ARG 30 11.615 -7.711 7.609 217 HD2 ARG 30 HD2 ARG 30 13.056 -9.620 7.863 218 HD3 ARG 30 HD3 ARG 30 13.878 -8.176 8.421 219 HE ARG 30 HE ARG 30 13.841 -9.022 10.590 220 HH11 ARG 30 HH11 ARG 30 12.062 -11.164 8.445 221 HH12 ARG 30 HH12 ARG 30 11.984 -12.448 9.604 222 HH21 ARG 30 HH21 ARG 30 13.715 -10.722 12.096 223 HH22 ARG 30 HH22 ARG 30 12.918 -12.198 11.664 224 H SER 31 H SER 31 10.537 -6.322 12.194 225 HA SER 31 HA SER 31 10.306 -3.537 12.816 226 HB2 SER 31 HB2 SER 31 10.511 -4.222 15.141 227 HB3 SER 31 HB3 SER 31 9.476 -5.366 14.291 228 HG SER 31 HG SER 31 12.062 -5.719 15.284 229 H THR 32 H THR 32 12.086 -2.431 14.239 230 HA THR 32 HA THR 32 14.411 -2.150 12.741 231 HB THR 32 HB THR 32 13.998 -1.466 15.646 232 HG1 THR 32 HG1 THR 32 13.273 -0.316 13.290 233 HG21 THR 32 HG21 THR 32 16.403 -1.736 15.100 234 HG22 THR 32 HG22 THR 32 15.974 -0.069 15.494 235 HG23 THR 32 HG23 THR 32 16.216 -0.543 13.813 236 H ASP 33 H ASP 33 13.828 -4.377 15.403 237 HA ASP 33 HA ASP 33 16.481 -5.559 14.994 238 HB2 ASP 33 HB2 ASP 33 14.375 -6.148 17.091 239 HB3 ASP 33 HB3 ASP 33 15.900 -7.010 16.953 240 H GLY 34 H GLY 34 13.071 -6.162 14.529 241 HA2 GLY 34 HA2 GLY 34 12.335 -7.310 12.583 242 HA3 GLY 34 HA3 GLY 34 13.721 -8.373 12.681 243 H ASP 35 H ASP 35 12.042 -7.724 15.636 244 HA ASP 35 HA ASP 35 11.167 -10.405 15.985 245 HB2 ASP 35 HB2 ASP 35 10.013 -9.513 18.005 246 HB3 ASP 35 HB3 ASP 35 11.702 -9.035 17.913 247 H LYS 36 H LYS 36 9.622 -7.495 14.767 248 HA LYS 36 HA LYS 36 7.148 -8.998 14.223 249 HB2 LYS 36 HB2 LYS 36 7.706 -6.031 14.165 250 HB3 LYS 36 HB3 LYS 36 6.184 -6.739 13.695 251 HG2 LYS 36 HG2 LYS 36 5.926 -7.623 15.984 252 HG3 LYS 36 HG3 LYS 36 7.412 -6.797 16.437 253 HD2 LYS 36 HD2 LYS 36 6.388 -4.683 15.706 254 HD3 LYS 36 HD3 LYS 36 4.870 -5.541 15.421 255 HE2 LYS 36 HE2 LYS 36 4.864 -4.421 17.588 256 HE3 LYS 36 HE3 LYS 36 4.789 -6.167 17.758 257 HZ1 LYS 36 HZ1 LYS 36 7.228 -4.518 18.103 258 HZ2 LYS 36 HZ2 LYS 36 7.147 -6.198 18.270 259 HZ3 LYS 36 HZ3 LYS 36 6.317 -5.203 19.355 260 H VAL 37 H VAL 37 6.384 -9.178 12.107 261 HA VAL 37 HA VAL 37 7.981 -8.107 9.936 262 HB VAL 37 HB VAL 37 9.244 -10.103 10.521 263 HG11 VAL 37 HG11 VAL 37 8.370 -12.368 10.254 264 HG12 VAL 37 HG12 VAL 37 6.761 -11.714 9.951 265 HG13 VAL 37 HG13 VAL 37 7.522 -11.486 11.526 266 HG21 VAL 37 HG21 VAL 37 7.904 -10.831 7.951 267 HG22 VAL 37 HG22 VAL 37 9.620 -10.874 8.379 268 HG23 VAL 37 HG23 VAL 37 8.817 -9.330 8.093 269 H HIS 38 H HIS 38 6.852 -7.771 8.098 270 HA HIS 38 HA HIS 38 4.252 -9.095 7.696 271 HB2 HIS 38 HB2 HIS 38 4.824 -6.130 7.394 272 HB3 HIS 38 HB3 HIS 38 3.351 -6.914 6.841 273 HD1 HIS 38 HD1 HIS 38 1.597 -7.533 8.624 274 HD2 HIS 38 HD2 HIS 38 5.024 -5.773 10.182 275 HE1 HIS 38 HE1 HIS 38 1.037 -6.962 11.008 276 HE2 HIS 38 HE2 HIS 38 3.093 -5.818 11.903 277 H THR 39 H THR 39 3.669 -9.409 5.480 278 HA THR 39 HA THR 39 5.844 -8.928 3.548 279 HB THR 39 HB THR 39 4.350 -11.537 3.916 280 HG1 THR 39 HG1 THR 39 7.122 -11.403 4.029 281 HG21 THR 39 HG21 THR 39 4.808 -11.168 1.540 282 HG22 THR 39 HG22 THR 39 5.853 -12.437 2.179 283 HG23 THR 39 HG23 THR 39 6.497 -10.818 1.910 284 H VAL 40 H VAL 40 5.293 -8.405 1.516 285 HA VAL 40 HA VAL 40 2.456 -8.420 0.694 286 HB VAL 40 HB VAL 40 4.466 -6.278 -0.062 287 HG11 VAL 40 HG11 VAL 40 1.484 -6.244 -0.401 288 HG12 VAL 40 HG12 VAL 40 2.630 -6.597 -1.695 289 HG13 VAL 40 HG13 VAL 40 2.619 -5.003 -0.929 290 HG21 VAL 40 HG21 VAL 40 2.372 -6.222 2.083 291 HG22 VAL 40 HG22 VAL 40 3.062 -4.762 1.379 292 HG23 VAL 40 HG23 VAL 40 4.103 -5.906 2.231 293 H VAL 41 H VAL 41 2.395 -10.069 -0.811 294 HA VAL 41 HA VAL 41 4.570 -10.557 -2.640 295 HB VAL 41 HB VAL 41 1.764 -11.753 -2.521 296 HG11 VAL 41 HG11 VAL 41 4.115 -12.593 -4.238 297 HG12 VAL 41 HG12 VAL 41 2.614 -11.870 -4.814 298 HG13 VAL 41 HG13 VAL 41 2.595 -13.472 -4.078 299 HG21 VAL 41 HG21 VAL 41 3.171 -12.371 -0.625 300 HG22 VAL 41 HG22 VAL 41 4.463 -12.866 -1.719 301 HG23 VAL 41 HG23 VAL 41 2.940 -13.759 -1.690 302 H LEU 42 H LEU 42 4.816 -9.547 -4.585 303 HA LEU 42 HA LEU 42 3.003 -7.414 -5.187 304 HB2 LEU 42 HB2 LEU 42 5.597 -8.270 -6.437 305 HB3 LEU 42 HB3 LEU 42 4.596 -7.073 -7.213 306 HG LEU 42 HG LEU 42 6.313 -5.917 -6.044 307 HD11 LEU 42 HD11 LEU 42 3.880 -5.689 -4.306 308 HD12 LEU 42 HD12 LEU 42 4.036 -4.954 -5.902 309 HD13 LEU 42 HD13 LEU 42 5.111 -4.468 -4.595 310 HD21 LEU 42 HD21 LEU 42 5.511 -7.380 -3.547 311 HD22 LEU 42 HD22 LEU 42 6.755 -6.138 -3.678 312 HD23 LEU 42 HD23 LEU 42 6.965 -7.688 -4.495 313 H SER 43 H SER 43 3.418 -10.613 -6.478 314 HA SER 43 HA SER 43 2.139 -10.202 -8.995 315 HB2 SER 43 HB2 SER 43 1.966 -12.618 -9.110 316 HB3 SER 43 HB3 SER 43 3.511 -12.206 -8.378 317 HG SER 43 HG SER 43 2.199 -13.910 -7.327 318 H THR 44 H THR 44 1.007 -9.822 -5.931 319 HA THR 44 HA THR 44 -1.808 -10.304 -6.670 320 HB THR 44 HB THR 44 -2.339 -10.531 -4.318 321 HG1 THR 44 HG1 THR 44 -0.211 -10.581 -2.934 322 HG21 THR 44 HG21 THR 44 -1.046 -12.504 -3.671 323 HG22 THR 44 HG22 THR 44 0.164 -12.107 -4.893 324 HG23 THR 44 HG23 THR 44 -1.470 -12.561 -5.384 325 H ILE 45 H ILE 45 0.405 -7.972 -6.608 326 HA ILE 45 HA ILE 45 -1.343 -5.817 -5.601 327 HB ILE 45 HB ILE 45 1.654 -5.870 -6.067 328 HG12 ILE 45 HG12 ILE 45 1.027 -7.117 -4.062 329 HG13 ILE 45 HG13 ILE 45 1.869 -5.644 -3.619 330 HG21 ILE 45 HG21 ILE 45 1.853 -3.649 -5.263 331 HG22 ILE 45 HG22 ILE 45 0.143 -3.580 -4.831 332 HG23 ILE 45 HG23 ILE 45 0.623 -3.635 -6.527 333 HD11 ILE 45 HD11 ILE 45 -0.007 -6.163 -2.120 334 HD12 ILE 45 HD12 ILE 45 -1.116 -6.050 -3.471 335 HD13 ILE 45 HD13 ILE 45 -0.230 -4.621 -2.937 336 H ASP 46 H ASP 46 -1.931 -4.163 -6.954 337 HA ASP 46 HA ASP 46 -1.363 -4.578 -9.803 338 HB2 ASP 46 HB2 ASP 46 -3.720 -4.773 -9.124 339 HB3 ASP 46 HB3 ASP 46 -3.696 -3.142 -8.513 340 H LYS 47 H LYS 47 -1.757 -1.899 -7.432 341 HA LYS 47 HA LYS 47 0.000 -0.263 -9.079 342 HB2 LYS 47 HB2 LYS 47 -2.580 0.516 -7.689 343 HB3 LYS 47 HB3 LYS 47 -1.452 1.638 -8.428 344 HG2 LYS 47 HG2 LYS 47 -1.771 0.624 -10.546 345 HG3 LYS 47 HG3 LYS 47 -2.907 -0.530 -9.865 346 HD2 LYS 47 HD2 LYS 47 -4.422 1.287 -9.304 347 HD3 LYS 47 HD3 LYS 47 -3.260 2.474 -9.888 348 HE2 LYS 47 HE2 LYS 47 -4.744 2.277 -11.651 349 HE3 LYS 47 HE3 LYS 47 -3.432 1.201 -12.103 350 HZ1 LYS 47 HZ1 LYS 47 -4.733 -0.668 -11.347 351 HZ2 LYS 47 HZ2 LYS 47 -5.611 0.207 -12.497 352 HZ3 LYS 47 HZ3 LYS 47 -5.988 0.354 -10.854 353 H LEU 48 H LEU 48 0.595 1.810 -7.703 354 HA LEU 48 HA LEU 48 1.011 1.308 -4.865 355 HB2 LEU 48 HB2 LEU 48 3.465 1.844 -6.568 356 HB3 LEU 48 HB3 LEU 48 3.428 1.458 -4.868 357 HG LEU 48 HG LEU 48 2.611 -0.505 -6.990 358 HD11 LEU 48 HD11 LEU 48 5.063 -1.261 -5.875 359 HD12 LEU 48 HD12 LEU 48 5.253 0.431 -6.345 360 HD13 LEU 48 HD13 LEU 48 4.750 -0.762 -7.538 361 HD21 LEU 48 HD21 LEU 48 3.458 -0.842 -4.132 362 HD22 LEU 48 HD22 LEU 48 2.936 -2.106 -5.244 363 HD23 LEU 48 HD23 LEU 48 1.787 -0.879 -4.710 364 H GLN 49 H GLN 49 1.197 3.276 -3.729 365 HA GLN 49 HA GLN 49 1.496 5.734 -5.320 366 HB2 GLN 49 HB2 GLN 49 -0.745 5.182 -3.355 367 HB3 GLN 49 HB3 GLN 49 -0.372 6.771 -3.991 368 HG2 GLN 49 HG2 GLN 49 -0.857 5.994 -6.262 369 HG3 GLN 49 HG3 GLN 49 -1.229 4.389 -5.637 370 HE21 GLN 49 HE21 GLN 49 -2.762 6.659 -7.024 371 HE22 GLN 49 HE22 GLN 49 -4.211 6.796 -6.091 372 H ALA 50 H ALA 50 3.102 6.951 -4.512 373 HA ALA 50 HA ALA 50 3.700 6.802 -1.625 374 HB1 ALA 50 HB1 ALA 50 5.529 7.475 -3.922 375 HB2 ALA 50 HB2 ALA 50 5.497 5.965 -3.008 376 HB3 ALA 50 HB3 ALA 50 5.993 7.460 -2.219 377 H THR 51 H THR 51 4.302 8.713 -0.475 378 HA THR 51 HA THR 51 2.819 11.067 -1.131 379 HB THR 51 HB THR 51 3.154 10.445 1.236 380 HG1 THR 51 HG1 THR 51 2.835 12.605 1.108 381 HG21 THR 51 HG21 THR 51 5.355 9.482 1.186 382 HG22 THR 51 HG22 THR 51 5.389 10.873 2.273 383 HG23 THR 51 HG23 THR 51 6.065 11.008 0.652 384 HA PRO 52 HA PRO 52 5.935 13.136 -3.782 385 HB2 PRO 52 HB2 PRO 52 4.333 15.511 -3.003 386 HB3 PRO 52 HB3 PRO 52 4.814 14.961 -4.609 387 HG2 PRO 52 HG2 PRO 52 2.356 14.640 -3.718 388 HG3 PRO 52 HG3 PRO 52 3.042 13.542 -4.713 389 HD2 PRO 52 HD2 PRO 52 2.504 13.283 -1.935 390 HD3 PRO 52 HD3 PRO 52 2.566 12.101 -3.061 391 H ALA 53 H ALA 53 7.483 14.882 -3.546 392 HA ALA 53 HA ALA 53 8.619 15.078 -0.935 393 HB1 ALA 53 HB1 ALA 53 9.350 16.556 -3.461 394 HB2 ALA 53 HB2 ALA 53 9.998 14.997 -2.954 395 HB3 ALA 53 HB3 ALA 53 10.337 16.442 -2.004 396 H SER 54 H SER 54 6.241 16.881 -2.539 397 HA SER 54 HA SER 54 6.617 19.277 -0.906 398 HB2 SER 54 HB2 SER 54 4.772 20.210 -2.237 399 HB3 SER 54 HB3 SER 54 6.058 19.601 -3.276 400 HG SER 54 HG SER 54 3.481 18.923 -3.243 401 H SER 55 H SER 55 4.898 16.342 -0.886 402 HA SER 55 HA SER 55 2.551 17.085 0.493 403 HB2 SER 55 HB2 SER 55 2.540 15.066 -0.725 404 HB3 SER 55 HB3 SER 55 3.934 14.440 0.151 405 HG SER 55 HG SER 55 1.858 15.170 1.774 406 H GLU 56 H GLU 56 1.957 16.939 2.592 407 HA GLU 56 HA GLU 56 3.753 17.580 4.659 408 HB2 GLU 56 HB2 GLU 56 0.943 16.502 4.711 409 HB3 GLU 56 HB3 GLU 56 1.783 17.065 6.135 410 HG2 GLU 56 HG2 GLU 56 1.959 19.272 5.207 411 HG3 GLU 56 HG3 GLU 56 1.198 18.742 3.711 412 H LYS 57 H LYS 57 3.520 14.719 3.171 413 HA LYS 57 HA LYS 57 3.603 13.058 5.595 414 HB2 LYS 57 HB2 LYS 57 2.357 12.431 2.923 415 HB3 LYS 57 HB3 LYS 57 2.393 11.360 4.274 416 HG2 LYS 57 HG2 LYS 57 0.967 13.977 4.215 417 HG3 LYS 57 HG3 LYS 57 0.233 12.433 3.945 418 HD2 LYS 57 HD2 LYS 57 0.857 11.771 6.244 419 HD3 LYS 57 HD3 LYS 57 1.521 13.396 6.485 420 HE2 LYS 57 HE2 LYS 57 -0.652 14.374 6.051 421 HE3 LYS 57 HE3 LYS 57 -1.318 12.773 5.740 422 HZ1 LYS 57 HZ1 LYS 57 -0.205 13.717 8.331 423 HZ2 LYS 57 HZ2 LYS 57 -0.844 12.179 8.043 424 HZ3 LYS 57 HZ3 LYS 57 -1.849 13.538 7.973 425 H MET 58 H MET 58 4.974 11.389 5.720 426 HA MET 58 HA MET 58 6.604 10.745 3.350 427 HB2 MET 58 HB2 MET 58 7.362 10.460 6.265 428 HB3 MET 58 HB3 MET 58 8.367 10.002 4.917 429 HG2 MET 58 HG2 MET 58 8.397 12.364 4.177 430 HG3 MET 58 HG3 MET 58 7.449 12.796 5.595 431 HE1 MET 58 HE1 MET 58 8.555 13.266 8.010 432 HE2 MET 58 HE2 MET 58 9.909 12.268 8.548 433 HE3 MET 58 HE3 MET 58 8.408 11.511 8.003 434 H MET 59 H MET 59 5.365 9.138 2.533 435 HA MET 59 HA MET 59 5.148 6.651 3.971 436 HB2 MET 59 HB2 MET 59 2.677 6.546 3.507 437 HB3 MET 59 HB3 MET 59 3.145 7.627 4.798 438 HG2 MET 59 HG2 MET 59 3.005 9.489 3.054 439 HG3 MET 59 HG3 MET 59 2.260 8.289 2.015 440 HE1 MET 59 HE1 MET 59 1.941 9.623 5.745 441 HE2 MET 59 HE2 MET 59 1.350 7.963 5.887 442 HE3 MET 59 HE3 MET 59 0.230 9.313 6.063 443 H LEU 60 H LEU 60 4.383 4.896 2.692 444 HA LEU 60 HA LEU 60 4.346 5.309 -0.211 445 HB2 LEU 60 HB2 LEU 60 6.574 4.603 0.191 446 HB3 LEU 60 HB3 LEU 60 6.071 3.422 1.378 447 HG LEU 60 HG LEU 60 4.945 2.212 -0.596 448 HD11 LEU 60 HD11 LEU 60 6.895 3.875 -2.143 449 HD12 LEU 60 HD12 LEU 60 5.146 4.116 -2.120 450 HD13 LEU 60 HD13 LEU 60 5.814 2.615 -2.753 451 HD21 LEU 60 HD21 LEU 60 7.022 1.121 -1.278 452 HD22 LEU 60 HD22 LEU 60 6.921 1.310 0.476 453 HD23 LEU 60 HD23 LEU 60 7.945 2.394 -0.469 454 H ARG 61 H ARG 61 2.512 4.459 -0.998 455 HA ARG 61 HA ARG 61 1.139 2.459 0.643 456 HB2 ARG 61 HB2 ARG 61 0.030 4.437 -1.350 457 HB3 ARG 61 HB3 ARG 61 -0.927 3.148 -0.638 458 HG2 ARG 61 HG2 ARG 61 -0.305 4.061 1.610 459 HG3 ARG 61 HG3 ARG 61 0.361 5.461 0.778 460 HD2 ARG 61 HD2 ARG 61 -1.866 5.902 -0.190 461 HD3 ARG 61 HD3 ARG 61 -2.495 4.500 0.665 462 HE ARG 61 HE ARG 61 -1.794 7.081 1.798 463 HH11 ARG 61 HH11 ARG 61 -2.744 3.757 2.437 464 HH12 ARG 61 HH12 ARG 61 -3.273 4.098 4.051 465 HH21 ARG 61 HH21 ARG 61 -2.493 7.500 3.914 466 HH22 ARG 61 HH22 ARG 61 -3.128 6.214 4.885 467 H LEU 62 H LEU 62 0.253 0.638 -0.187 468 HA LEU 62 HA LEU 62 1.113 -0.178 -2.884 469 HB2 LEU 62 HB2 LEU 62 1.261 -1.624 -0.254 470 HB3 LEU 62 HB3 LEU 62 1.220 -2.505 -1.760 471 HG LEU 62 HG LEU 62 3.328 -0.966 -2.285 472 HD11 LEU 62 HD11 LEU 62 4.672 -0.587 -0.310 473 HD12 LEU 62 HD12 LEU 62 3.352 -1.170 0.705 474 HD13 LEU 62 HD13 LEU 62 3.150 0.304 -0.245 475 HD21 LEU 62 HD21 LEU 62 3.609 -3.365 -0.477 476 HD22 LEU 62 HD22 LEU 62 4.802 -2.728 -1.609 477 HD23 LEU 62 HD23 LEU 62 3.314 -3.458 -2.210 478 H ILE 63 H ILE 63 -0.656 -0.298 -4.069 479 HA ILE 63 HA ILE 63 -3.277 -0.884 -2.945 480 HB ILE 63 HB ILE 63 -2.432 -0.194 -5.766 481 HG12 ILE 63 HG12 ILE 63 -3.764 1.626 -3.761 482 HG13 ILE 63 HG13 ILE 63 -2.052 1.653 -4.111 483 HG21 ILE 63 HG21 ILE 63 -4.768 0.370 -6.225 484 HG22 ILE 63 HG22 ILE 63 -5.210 -0.205 -4.610 485 HG23 ILE 63 HG23 ILE 63 -4.574 -1.336 -5.806 486 HD11 ILE 63 HD11 ILE 63 -2.551 2.323 -6.416 487 HD12 ILE 63 HD12 ILE 63 -3.199 3.456 -5.231 488 HD13 ILE 63 HD13 ILE 63 -4.271 2.305 -6.032 489 H GLY 64 H GLY 64 -4.336 -2.772 -3.115 490 HA2 GLY 64 HA2 GLY 64 -2.888 -5.057 -4.173 491 HA3 GLY 64 HA3 GLY 64 -4.272 -5.111 -3.103 492 H LYS 65 H LYS 65 -4.229 -6.871 -5.057 493 HA LYS 65 HA LYS 65 -5.629 -5.875 -7.401 494 HB2 LYS 65 HB2 LYS 65 -3.779 -7.504 -7.607 495 HB3 LYS 65 HB3 LYS 65 -4.751 -8.683 -6.741 496 HG2 LYS 65 HG2 LYS 65 -6.435 -8.574 -8.458 497 HG3 LYS 65 HG3 LYS 65 -5.449 -7.421 -9.359 498 HD2 LYS 65 HD2 LYS 65 -3.670 -9.086 -9.510 499 HD3 LYS 65 HD3 LYS 65 -4.676 -10.243 -8.641 500 HE2 LYS 65 HE2 LYS 65 -6.352 -10.050 -10.406 501 HE3 LYS 65 HE3 LYS 65 -5.313 -8.928 -11.255 502 HZ1 LYS 65 HZ1 LYS 65 -3.664 -10.677 -11.488 503 HZ2 LYS 65 HZ2 LYS 65 -5.135 -11.151 -12.173 504 HZ3 LYS 65 HZ3 LYS 65 -4.670 -11.762 -10.666 505 H VAL 66 H VAL 66 -7.739 -5.824 -7.539 506 HA VAL 66 HA VAL 66 -9.327 -7.837 -6.114 507 HB VAL 66 HB VAL 66 -9.642 -4.906 -6.135 508 HG11 VAL 66 HG11 VAL 66 -11.645 -5.545 -7.480 509 HG12 VAL 66 HG12 VAL 66 -12.019 -4.798 -5.927 510 HG13 VAL 66 HG13 VAL 66 -12.170 -6.548 -6.126 511 HG21 VAL 66 HG21 VAL 66 -10.651 -5.394 -3.942 512 HG22 VAL 66 HG22 VAL 66 -9.078 -6.173 -4.142 513 HG23 VAL 66 HG23 VAL 66 -10.557 -7.116 -4.306 514 H ASP 67 H ASP 67 -11.106 -8.692 -7.124 515 HA ASP 67 HA ASP 67 -11.154 -8.540 -10.030 516 HB2 ASP 67 HB2 ASP 67 -11.256 -10.751 -8.887 517 HB3 ASP 67 HB3 ASP 67 -12.796 -10.286 -8.173 518 H GLU 68 H GLU 68 -12.195 -6.835 -10.798 519 HA GLU 68 HA GLU 68 -14.440 -5.671 -9.388 520 HB2 GLU 68 HB2 GLU 68 -12.785 -4.827 -11.744 521 HB3 GLU 68 HB3 GLU 68 -14.288 -4.001 -11.360 522 HG2 GLU 68 HG2 GLU 68 -13.405 -3.531 -9.095 523 HG3 GLU 68 HG3 GLU 68 -11.868 -4.261 -9.567 524 H SER 69 H SER 69 -14.228 -8.162 -11.519 525 HA SER 69 HA SER 69 -16.520 -7.556 -13.178 526 HB2 SER 69 HB2 SER 69 -16.134 -9.682 -14.217 527 HB3 SER 69 HB3 SER 69 -14.558 -8.942 -13.948 528 HG SER 69 HG SER 69 -14.663 -11.174 -13.331 529 H LYS 70 H LYS 70 -16.041 -8.881 -10.067 530 HA LYS 70 HA LYS 70 -18.448 -10.480 -9.996 531 HB2 LYS 70 HB2 LYS 70 -16.290 -9.804 -8.025 532 HB3 LYS 70 HB3 LYS 70 -17.714 -10.703 -7.548 533 HG2 LYS 70 HG2 LYS 70 -17.165 -12.411 -9.230 534 HG3 LYS 70 HG3 LYS 70 -15.709 -11.520 -9.646 535 HD2 LYS 70 HD2 LYS 70 -14.890 -11.812 -7.322 536 HD3 LYS 70 HD3 LYS 70 -16.322 -12.773 -6.965 537 HE2 LYS 70 HE2 LYS 70 -15.639 -14.484 -8.498 538 HE3 LYS 70 HE3 LYS 70 -14.320 -13.488 -9.111 539 HZ1 LYS 70 HZ1 LYS 70 -13.503 -15.159 -7.585 540 HZ2 LYS 70 HZ2 LYS 70 -14.532 -14.602 -6.364 541 HZ3 LYS 70 HZ3 LYS 70 -13.275 -13.617 -6.923 542 H LYS 71 H LYS 71 -18.754 -7.683 -10.557 543 HA LYS 71 HA LYS 71 -19.407 -5.898 -8.616 544 HB2 LYS 71 HB2 LYS 71 -20.911 -6.390 -11.195 545 HB3 LYS 71 HB3 LYS 71 -21.118 -4.971 -10.181 546 HG2 LYS 71 HG2 LYS 71 -18.793 -4.353 -10.549 547 HG3 LYS 71 HG3 LYS 71 -18.579 -5.762 -11.578 548 HD2 LYS 71 HD2 LYS 71 -20.297 -4.910 -13.083 549 HD3 LYS 71 HD3 LYS 71 -20.486 -3.472 -12.074 550 HE2 LYS 71 HE2 LYS 71 -18.090 -2.979 -12.476 551 HE3 LYS 71 HE3 LYS 71 -18.030 -4.328 -13.607 552 HZ1 LYS 71 HZ1 LYS 71 -18.364 -2.223 -14.749 553 HZ2 LYS 71 HZ2 LYS 71 -19.776 -1.936 -13.864 554 HZ3 LYS 71 HZ3 LYS 71 -19.708 -3.229 -14.952 555 H ARG 72 H ARG 72 -20.737 -5.862 -6.912 556 HA ARG 72 HA ARG 72 -22.909 -7.831 -6.780 557 HB2 ARG 72 HB2 ARG 72 -21.269 -7.969 -4.997 558 HB3 ARG 72 HB3 ARG 72 -21.460 -6.264 -4.642 559 HG2 ARG 72 HG2 ARG 72 -23.633 -6.597 -3.738 560 HG3 ARG 72 HG3 ARG 72 -23.698 -8.252 -4.344 561 HD2 ARG 72 HD2 ARG 72 -23.263 -8.245 -1.956 562 HD3 ARG 72 HD3 ARG 72 -21.868 -8.872 -2.829 563 HE ARG 72 HE ARG 72 -20.652 -6.985 -2.219 564 HH11 ARG 72 HH11 ARG 72 -23.966 -6.671 -1.091 565 HH12 ARG 72 HH12 ARG 72 -23.600 -5.348 -0.035 566 HH21 ARG 72 HH21 ARG 72 -20.200 -5.254 -0.830 567 HH22 ARG 72 HH22 ARG 72 -21.470 -4.546 0.110 568 H LYS 73 H LYS 73 -25.000 -7.235 -6.071 569 HA LYS 73 HA LYS 73 -25.610 -4.352 -6.075 570 HB2 LYS 73 HB2 LYS 73 -27.267 -6.573 -7.308 571 HB3 LYS 73 HB3 LYS 73 -27.811 -4.913 -7.115 572 HG2 LYS 73 HG2 LYS 73 -25.952 -4.171 -8.549 573 HG3 LYS 73 HG3 LYS 73 -25.502 -5.854 -8.792 574 HD2 LYS 73 HD2 LYS 73 -27.728 -6.276 -9.769 575 HD3 LYS 73 HD3 LYS 73 -28.107 -4.561 -9.576 576 HE2 LYS 73 HE2 LYS 73 -26.205 -3.998 -11.036 577 HE3 LYS 73 HE3 LYS 73 -25.881 -5.720 -11.249 578 HZ1 LYS 73 HZ1 LYS 73 -28.040 -5.969 -12.291 579 HZ2 LYS 73 HZ2 LYS 73 -27.131 -4.800 -13.107 580 HZ3 LYS 73 HZ3 LYS 73 -28.376 -4.326 -12.067 581 H ASP 74 H ASP 74 -27.096 -3.664 -4.575 582 HA ASP 74 HA ASP 74 -27.428 -5.403 -2.290 583 HB2 ASP 74 HB2 ASP 74 -28.035 -3.416 -1.057 584 HB3 ASP 74 HB3 ASP 74 -26.629 -3.058 -2.045 585 H ASN 75 H ASN 75 -29.767 -4.487 -1.081 586 HA ASN 75 HA ASN 75 -31.648 -6.290 -2.058 587 HB2 ASN 75 HB2 ASN 75 -31.905 -3.945 -0.189 588 HB3 ASN 75 HB3 ASN 75 -33.271 -4.989 -0.556 589 HD21 ASN 75 HD21 ASN 75 -32.225 -4.621 2.002 590 HD22 ASN 75 HD22 ASN 75 -31.554 -6.116 2.549 591 H GLU 76 H GLU 76 -31.250 -2.908 -2.895 592 HA GLU 76 HA GLU 76 -33.877 -2.753 -4.142 593 HB2 GLU 76 HB2 GLU 76 -31.689 -0.702 -3.781 594 HB3 GLU 76 HB3 GLU 76 -33.199 -0.376 -4.620 595 HG2 GLU 76 HG2 GLU 76 -34.451 -0.841 -2.583 596 HG3 GLU 76 HG3 GLU 76 -32.954 -1.228 -1.740 597 H GLY 77 H GLY 77 -30.697 -3.541 -5.067 598 HA2 GLY 77 HA2 GLY 77 -30.160 -4.446 -7.197 599 HA3 GLY 77 HA3 GLY 77 -31.470 -3.511 -7.898 600 H ASN 78 H ASN 78 -29.470 -1.806 -5.713 601 HA ASN 78 HA ASN 78 -28.322 -0.215 -7.851 602 HB2 ASN 78 HB2 ASN 78 -28.225 0.026 -4.835 603 HB3 ASN 78 HB3 ASN 78 -27.370 1.121 -5.915 604 HD21 ASN 78 HD21 ASN 78 -30.059 0.790 -4.119 605 HD22 ASN 78 HD22 ASN 78 -31.124 1.863 -4.953 606 H GLU 79 H GLU 79 -26.108 0.061 -8.227 607 HA GLU 79 HA GLU 79 -24.620 -2.371 -7.990 608 HB2 GLU 79 HB2 GLU 79 -24.560 -0.922 -10.007 609 HB3 GLU 79 HB3 GLU 79 -23.750 0.325 -9.072 610 HG2 GLU 79 HG2 GLU 79 -21.834 -1.133 -8.785 611 HG3 GLU 79 HG3 GLU 79 -22.677 -2.416 -9.654 612 H VAL 80 H VAL 80 -23.470 -2.966 -6.324 613 HA VAL 80 HA VAL 80 -21.952 -0.940 -4.830 614 HB VAL 80 HB VAL 80 -23.203 -3.408 -3.590 615 HG11 VAL 80 HG11 VAL 80 -21.075 -2.844 -2.568 616 HG12 VAL 80 HG12 VAL 80 -22.402 -2.485 -1.464 617 HG13 VAL 80 HG13 VAL 80 -21.608 -1.178 -2.341 618 HG21 VAL 80 HG21 VAL 80 -24.870 -1.647 -4.073 619 HG22 VAL 80 HG22 VAL 80 -23.925 -0.524 -3.095 620 HG23 VAL 80 HG23 VAL 80 -24.660 -1.939 -2.345 621 H VAL 81 H VAL 81 -19.975 -1.177 -5.555 622 HA VAL 81 HA VAL 81 -19.094 -3.829 -6.359 623 HB VAL 81 HB VAL 81 -17.971 -1.145 -7.131 624 HG11 VAL 81 HG11 VAL 81 -16.192 -2.745 -7.235 625 HG12 VAL 81 HG12 VAL 81 -16.703 -2.357 -8.879 626 HG13 VAL 81 HG13 VAL 81 -17.203 -3.877 -8.137 627 HG21 VAL 81 HG21 VAL 81 -20.164 -1.481 -8.111 628 HG22 VAL 81 HG22 VAL 81 -19.658 -3.043 -8.756 629 HG23 VAL 81 HG23 VAL 81 -18.918 -1.559 -9.357 630 HA PRO 82 HA PRO 82 -16.153 -3.904 -2.900 631 HB2 PRO 82 HB2 PRO 82 -14.883 -6.204 -3.566 632 HB3 PRO 82 HB3 PRO 82 -16.479 -6.203 -2.814 633 HG2 PRO 82 HG2 PRO 82 -15.809 -6.517 -5.649 634 HG3 PRO 82 HG3 PRO 82 -16.900 -7.353 -4.767 635 HD2 PRO 82 HD2 PRO 82 -17.636 -5.441 -6.318 636 HD3 PRO 82 HD3 PRO 82 -18.437 -5.756 -4.930 637 H LYS 83 H LYS 83 -14.427 -2.754 -2.811 638 HA LYS 83 HA LYS 83 -12.948 -2.209 -5.267 639 HB2 LYS 83 HB2 LYS 83 -13.141 -0.629 -2.718 640 HB3 LYS 83 HB3 LYS 83 -12.101 -0.184 -4.040 641 HG2 LYS 83 HG2 LYS 83 -15.037 -0.451 -4.151 642 HG3 LYS 83 HG3 LYS 83 -14.217 1.060 -3.939 643 HD2 LYS 83 HD2 LYS 83 -13.138 0.702 -6.138 644 HD3 LYS 83 HD3 LYS 83 -14.084 -0.768 -6.346 645 HE2 LYS 83 HE2 LYS 83 -16.150 0.632 -6.181 646 HE3 LYS 83 HE3 LYS 83 -15.122 2.062 -6.148 647 HZ1 LYS 83 HZ1 LYS 83 -15.260 0.079 -8.354 648 HZ2 LYS 83 HZ2 LYS 83 -14.266 1.447 -8.326 649 HZ3 LYS 83 HZ3 LYS 83 -15.948 1.626 -8.371 650 HA PRO 84 HA PRO 84 -9.045 -3.985 -4.119 651 HB2 PRO 84 HB2 PRO 84 -7.700 -1.441 -4.818 652 HB3 PRO 84 HB3 PRO 84 -7.413 -3.074 -5.430 653 HG2 PRO 84 HG2 PRO 84 -8.630 -1.348 -6.926 654 HG3 PRO 84 HG3 PRO 84 -9.182 -2.885 -6.892 655 HD2 PRO 84 HD2 PRO 84 -10.356 -0.594 -5.337 656 HD3 PRO 84 HD3 PRO 84 -11.219 -1.695 -6.180 657 H GLN 85 H GLN 85 -7.366 -4.028 -2.630 658 HA GLN 85 HA GLN 85 -7.796 -2.397 -0.256 659 HB2 GLN 85 HB2 GLN 85 -6.024 -4.809 -0.717 660 HB3 GLN 85 HB3 GLN 85 -6.229 -3.998 0.828 661 HG2 GLN 85 HG2 GLN 85 -8.585 -4.600 0.857 662 HG3 GLN 85 HG3 GLN 85 -8.430 -5.350 -0.726 663 HE21 GLN 85 HE21 GLN 85 -9.474 -7.007 0.982 664 HE22 GLN 85 HE22 GLN 85 -8.336 -8.144 1.613 665 H ARG 86 H ARG 86 -5.837 -1.599 0.958 666 HA ARG 86 HA ARG 86 -3.653 -0.755 -0.796 667 HB2 ARG 86 HB2 ARG 86 -5.553 1.140 0.594 668 HB3 ARG 86 HB3 ARG 86 -4.020 1.638 -0.087 669 HG2 ARG 86 HG2 ARG 86 -4.804 0.910 -2.309 670 HG3 ARG 86 HG3 ARG 86 -6.371 0.531 -1.593 671 HD2 ARG 86 HD2 ARG 86 -5.111 3.223 -1.274 672 HD3 ARG 86 HD3 ARG 86 -6.057 2.832 -2.701 673 HE ARG 86 HE ARG 86 -7.044 3.311 -0.027 674 HH11 ARG 86 HH11 ARG 86 -7.793 1.981 -3.195 675 HH12 ARG 86 HH12 ARG 86 -9.505 2.108 -2.971 676 HH21 ARG 86 HH21 ARG 86 -9.297 3.463 0.237 677 HH22 ARG 86 HH22 ARG 86 -10.351 2.942 -1.032 678 H HIS 87 H HIS 87 -1.808 -0.888 0.233 679 HA HIS 87 HA HIS 87 -1.678 -1.003 3.169 680 HB2 HIS 87 HB2 HIS 87 0.336 -1.860 1.083 681 HB3 HIS 87 HB3 HIS 87 0.523 -2.070 2.817 682 HD1 HIS 87 HD1 HIS 87 -0.997 -3.899 3.939 683 HD2 HIS 87 HD2 HIS 87 -1.210 -3.746 -0.210 684 HE1 HIS 87 HE1 HIS 87 -2.102 -6.047 3.241 685 HE2 HIS 87 HE2 HIS 87 -2.320 -5.880 0.738 686 H MET 88 H MET 88 0.057 0.228 4.286 687 HA MET 88 HA MET 88 1.354 2.327 2.689 688 HB2 MET 88 HB2 MET 88 -0.662 3.405 3.582 689 HB3 MET 88 HB3 MET 88 -0.236 2.890 5.194 690 HG2 MET 88 HG2 MET 88 1.769 4.308 5.127 691 HG3 MET 88 HG3 MET 88 1.305 4.834 3.529 692 HE1 MET 88 HE1 MET 88 -0.528 4.268 6.916 693 HE2 MET 88 HE2 MET 88 -0.894 5.919 7.408 694 HE3 MET 88 HE3 MET 88 0.784 5.371 7.351 695 H PHE 89 H PHE 89 3.318 2.989 3.381 696 HA PHE 89 HA PHE 89 4.380 1.966 5.932 697 HB2 PHE 89 HB2 PHE 89 5.738 1.811 3.230 698 HB3 PHE 89 HB3 PHE 89 6.583 1.590 4.746 699 HD1 PHE 89 HD1 PHE 89 4.407 0.090 2.283 700 HD2 PHE 89 HD2 PHE 89 6.132 -0.378 6.139 701 HE1 PHE 89 HE1 PHE 89 3.886 -2.313 2.224 702 HE2 PHE 89 HE2 PHE 89 5.609 -2.776 6.108 703 HZ PHE 89 HZ PHE 89 4.442 -3.741 4.116 704 H SER 90 H SER 90 5.425 3.573 7.073 705 HA SER 90 HA SER 90 5.669 6.164 5.795 706 HB2 SER 90 HB2 SER 90 4.664 6.332 7.882 707 HB3 SER 90 HB3 SER 90 5.864 5.300 8.654 708 HG SER 90 HG SER 90 7.390 7.017 8.132 709 H PHE 91 H PHE 91 7.465 7.376 5.591 710 HA PHE 91 HA PHE 91 10.023 5.911 5.693 711 HB2 PHE 91 HB2 PHE 91 8.683 7.375 3.459 712 HB3 PHE 91 HB3 PHE 91 10.436 7.387 3.523 713 HD1 PHE 91 HD1 PHE 91 7.609 4.971 3.779 714 HD2 PHE 91 HD2 PHE 91 11.553 5.727 2.367 715 HE1 PHE 91 HE1 PHE 91 7.645 2.755 2.709 716 HE2 PHE 91 HE2 PHE 91 11.586 3.511 1.299 717 HZ PHE 91 HZ PHE 91 9.641 2.063 1.399 718 H ASN 92 H ASN 92 11.898 7.525 5.196 719 HA ASN 92 HA ASN 92 11.464 10.001 6.726 720 HB2 ASN 92 HB2 ASN 92 13.868 8.159 6.804 721 HB3 ASN 92 HB3 ASN 92 13.800 9.733 7.585 722 HD21 ASN 92 HD21 ASN 92 13.220 6.443 7.917 723 HD22 ASN 92 HD22 ASN 92 12.348 6.486 9.407 724 H ASN 93 H ASN 93 12.601 8.582 3.815 725 HA ASN 93 HA ASN 93 13.504 11.177 2.842 726 HB2 ASN 93 HB2 ASN 93 15.546 9.937 3.686 727 HB3 ASN 93 HB3 ASN 93 15.245 8.731 2.442 728 HD21 ASN 93 HD21 ASN 93 17.618 10.095 2.567 729 HD22 ASN 93 HD22 ASN 93 17.745 11.162 1.213 730 H ARG 94 H ARG 94 12.699 11.565 0.922 731 HA ARG 94 HA ARG 94 11.053 9.885 -0.570 732 HB2 ARG 94 HB2 ARG 94 11.087 11.590 -2.253 733 HB3 ARG 94 HB3 ARG 94 11.105 12.358 -0.684 734 HG2 ARG 94 HG2 ARG 94 13.445 12.836 -0.922 735 HG3 ARG 94 HG3 ARG 94 13.508 11.931 -2.429 736 HD2 ARG 94 HD2 ARG 94 11.849 14.396 -1.960 737 HD3 ARG 94 HD3 ARG 94 13.409 14.341 -2.755 738 HE ARG 94 HE ARG 94 11.311 12.685 -3.890 739 HH11 ARG 94 HH11 ARG 94 13.132 15.679 -4.143 740 HH12 ARG 94 HH12 ARG 94 12.707 15.927 -5.804 741 HH21 ARG 94 HH21 ARG 94 10.770 13.033 -6.061 742 HH22 ARG 94 HH22 ARG 94 11.373 14.431 -6.886 743 H THR 95 H THR 95 14.502 10.025 -0.558 744 HA THR 95 HA THR 95 14.928 9.048 -3.220 745 HB THR 95 HB THR 95 17.287 8.751 -2.518 746 HG1 THR 95 HG1 THR 95 16.124 9.063 0.002 747 HG21 THR 95 HG21 THR 95 16.570 10.988 -3.237 748 HG22 THR 95 HG22 THR 95 17.800 11.095 -1.977 749 HG23 THR 95 HG23 THR 95 16.105 11.376 -1.581 750 H VAL 96 H VAL 96 14.560 7.545 -0.038 751 HA VAL 96 HA VAL 96 15.272 4.896 -0.923 752 HB VAL 96 HB VAL 96 13.637 5.621 1.532 753 HG11 VAL 96 HG11 VAL 96 14.266 3.479 2.417 754 HG12 VAL 96 HG12 VAL 96 15.318 3.164 1.037 755 HG13 VAL 96 HG13 VAL 96 13.571 3.230 0.816 756 HG21 VAL 96 HG21 VAL 96 15.682 5.562 2.829 757 HG22 VAL 96 HG22 VAL 96 15.820 6.771 1.549 758 HG23 VAL 96 HG23 VAL 96 16.623 5.211 1.375 759 H MET 97 H MET 97 12.135 6.294 0.109 760 HA MET 97 HA MET 97 10.400 4.329 -0.704 761 HB2 MET 97 HB2 MET 97 9.545 6.087 0.581 762 HB3 MET 97 HB3 MET 97 10.068 7.325 -0.526 763 HG2 MET 97 HG2 MET 97 8.351 6.479 -2.092 764 HG3 MET 97 HG3 MET 97 7.877 5.337 -0.847 765 HE1 MET 97 HE1 MET 97 7.526 9.898 -0.205 766 HE2 MET 97 HE2 MET 97 8.236 9.188 -1.651 767 HE3 MET 97 HE3 MET 97 9.049 9.015 -0.099 768 H ASP 98 H ASP 98 11.897 6.778 -2.784 769 HA ASP 98 HA ASP 98 10.337 5.997 -5.094 770 HB2 ASP 98 HB2 ASP 98 12.699 7.833 -4.665 771 HB3 ASP 98 HB3 ASP 98 12.154 7.422 -6.283 772 H ASN 99 H ASN 99 13.280 4.923 -3.621 773 HA ASN 99 HA ASN 99 14.171 3.467 -5.979 774 HB2 ASN 99 HB2 ASN 99 15.309 4.222 -3.395 775 HB3 ASN 99 HB3 ASN 99 15.663 2.552 -3.802 776 HD21 ASN 99 HD21 ASN 99 16.445 5.794 -4.315 777 HD22 ASN 99 HD22 ASN 99 17.600 5.578 -5.579 778 H ILE 100 H ILE 100 12.551 2.758 -2.886 779 HA ILE 100 HA ILE 100 12.435 -0.073 -3.238 780 HB ILE 100 HB ILE 100 10.612 1.747 -1.626 781 HG12 ILE 100 HG12 ILE 100 12.926 1.773 -0.794 782 HG13 ILE 100 HG13 ILE 100 11.846 1.036 0.358 783 HG21 ILE 100 HG21 ILE 100 9.743 -0.148 -0.462 784 HG22 ILE 100 HG22 ILE 100 10.835 -1.240 -1.311 785 HG23 ILE 100 HG23 ILE 100 9.544 -0.431 -2.191 786 HD11 ILE 100 HD11 ILE 100 13.943 -0.129 0.318 787 HD12 ILE 100 HD12 ILE 100 13.826 -0.369 -1.425 788 HD13 ILE 100 HD13 ILE 100 12.689 -1.178 -0.347 789 H LYS 101 H LYS 101 10.025 2.510 -3.812 790 HA LYS 101 HA LYS 101 8.045 1.085 -5.121 791 HB2 LYS 101 HB2 LYS 101 7.811 3.398 -4.356 792 HB3 LYS 101 HB3 LYS 101 8.928 3.926 -5.604 793 HG2 LYS 101 HG2 LYS 101 7.361 3.250 -7.334 794 HG3 LYS 101 HG3 LYS 101 6.259 2.627 -6.107 795 HD2 LYS 101 HD2 LYS 101 5.986 4.886 -5.199 796 HD3 LYS 101 HD3 LYS 101 7.119 5.498 -6.398 797 HE2 LYS 101 HE2 LYS 101 5.545 4.711 -8.176 798 HE3 LYS 101 HE3 LYS 101 4.394 4.328 -6.902 799 HZ1 LYS 101 HZ1 LYS 101 3.943 6.488 -7.874 800 HZ2 LYS 101 HZ2 LYS 101 5.498 7.023 -7.485 801 HZ3 LYS 101 HZ3 LYS 101 4.397 6.660 -6.253 802 H MET 102 H MET 102 10.955 2.558 -6.484 803 HA MET 102 HA MET 102 10.566 2.082 -9.197 804 HB2 MET 102 HB2 MET 102 12.400 3.401 -8.293 805 HB3 MET 102 HB3 MET 102 13.102 1.991 -7.563 806 HG2 MET 102 HG2 MET 102 13.490 1.069 -9.842 807 HG3 MET 102 HG3 MET 102 12.857 2.581 -10.493 808 HE1 MET 102 HE1 MET 102 15.871 0.782 -8.814 809 HE2 MET 102 HE2 MET 102 15.323 1.789 -7.475 810 HE3 MET 102 HE3 MET 102 16.868 2.126 -8.254 811 H THR 103 H THR 103 12.134 -0.112 -6.820 812 HA THR 103 HA THR 103 12.452 -2.301 -8.563 813 HB THR 103 HB THR 103 12.074 -2.380 -5.553 814 HG1 THR 103 HG1 THR 103 14.572 -2.617 -6.811 815 HG21 THR 103 HG21 THR 103 13.275 -4.422 -7.442 816 HG22 THR 103 HG22 THR 103 11.782 -4.606 -6.523 817 HG23 THR 103 HG23 THR 103 13.328 -4.519 -5.683 818 H LEU 104 H LEU 104 9.913 -1.805 -6.071 819 HA LEU 104 HA LEU 104 8.155 -3.818 -6.528 820 HB2 LEU 104 HB2 LEU 104 7.456 -0.897 -6.090 821 HB3 LEU 104 HB3 LEU 104 6.353 -2.219 -5.828 822 HG LEU 104 HG LEU 104 8.895 -1.789 -4.259 823 HD11 LEU 104 HD11 LEU 104 6.171 -0.722 -3.946 824 HD12 LEU 104 HD12 LEU 104 7.703 -0.132 -3.299 825 HD13 LEU 104 HD13 LEU 104 6.867 -1.451 -2.499 826 HD21 LEU 104 HD21 LEU 104 7.741 -4.141 -4.497 827 HD22 LEU 104 HD22 LEU 104 6.624 -3.447 -3.312 828 HD23 LEU 104 HD23 LEU 104 8.343 -3.570 -2.944 829 H GLN 105 H GLN 105 7.925 -0.646 -8.087 830 HA GLN 105 HA GLN 105 5.967 -1.084 -9.974 831 HB2 GLN 105 HB2 GLN 105 7.086 1.087 -9.402 832 HB3 GLN 105 HB3 GLN 105 8.436 0.619 -10.410 833 HG2 GLN 105 HG2 GLN 105 7.082 2.062 -11.695 834 HG3 GLN 105 HG3 GLN 105 6.831 0.437 -12.326 835 HE21 GLN 105 HE21 GLN 105 4.838 0.275 -12.969 836 HE22 GLN 105 HE22 GLN 105 3.430 0.808 -12.117 837 H GLN 106 H GLN 106 9.309 -2.095 -10.157 838 HA GLN 106 HA GLN 106 9.149 -2.850 -12.954 839 HB2 GLN 106 HB2 GLN 106 11.314 -2.987 -10.859 840 HB3 GLN 106 HB3 GLN 106 11.492 -3.782 -12.411 841 HG2 GLN 106 HG2 GLN 106 11.279 -1.689 -13.567 842 HG3 GLN 106 HG3 GLN 106 10.992 -0.831 -12.062 843 HE21 GLN 106 HE21 GLN 106 12.752 -0.749 -10.525 844 HE22 GLN 106 HE22 GLN 106 14.385 -0.817 -11.083 845 H ILE 107 H ILE 107 8.634 -4.292 -9.866 846 HA ILE 107 HA ILE 107 8.816 -7.026 -10.756 847 HB ILE 107 HB ILE 107 7.846 -5.792 -8.160 848 HG12 ILE 107 HG12 ILE 107 10.300 -7.474 -8.765 849 HG13 ILE 107 HG13 ILE 107 10.297 -5.730 -8.673 850 HG21 ILE 107 HG21 ILE 107 6.586 -7.848 -8.568 851 HG22 ILE 107 HG22 ILE 107 7.698 -8.028 -7.213 852 HG23 ILE 107 HG23 ILE 107 8.094 -8.740 -8.780 853 HD11 ILE 107 HD11 ILE 107 11.200 -6.887 -6.659 854 HD12 ILE 107 HD12 ILE 107 9.571 -7.486 -6.349 855 HD13 ILE 107 HD13 ILE 107 9.886 -5.751 -6.338 856 H ILE 108 H ILE 108 6.146 -4.723 -10.104 857 HA ILE 108 HA ILE 108 4.065 -6.651 -10.530 858 HB ILE 108 HB ILE 108 3.882 -3.618 -10.577 859 HG12 ILE 108 HG12 ILE 108 2.980 -5.546 -8.446 860 HG13 ILE 108 HG13 ILE 108 4.550 -4.788 -8.422 861 HG21 ILE 108 HG21 ILE 108 1.456 -3.921 -10.356 862 HG22 ILE 108 HG22 ILE 108 1.661 -5.674 -10.444 863 HG23 ILE 108 HG23 ILE 108 2.038 -4.672 -11.847 864 HD11 ILE 108 HD11 ILE 108 3.562 -2.618 -8.208 865 HD12 ILE 108 HD12 ILE 108 2.925 -3.683 -6.959 866 HD13 ILE 108 HD13 ILE 108 1.948 -3.302 -8.375 867 H SER 109 H SER 109 5.729 -4.342 -12.569 868 HA SER 109 HA SER 109 4.119 -4.539 -14.885 869 HB2 SER 109 HB2 SER 109 5.951 -3.511 -16.058 870 HB3 SER 109 HB3 SER 109 5.850 -2.779 -14.457 871 HG SER 109 HG SER 109 7.723 -4.665 -15.423 872 H ARG 110 H ARG 110 6.354 -6.767 -13.500 873 HA ARG 110 HA ARG 110 6.710 -8.395 -15.863 874 HB2 ARG 110 HB2 ARG 110 7.257 -8.900 -12.932 875 HB3 ARG 110 HB3 ARG 110 7.552 -10.101 -14.179 876 HG2 ARG 110 HG2 ARG 110 9.195 -8.712 -15.211 877 HG3 ARG 110 HG3 ARG 110 8.814 -7.371 -14.140 878 HD2 ARG 110 HD2 ARG 110 9.593 -8.655 -12.224 879 HD3 ARG 110 HD3 ARG 110 9.934 -10.033 -13.270 880 HE ARG 110 HE ARG 110 11.363 -7.910 -14.304 881 HH11 ARG 110 HH11 ARG 110 11.330 -9.663 -11.259 882 HH12 ARG 110 HH12 ARG 110 13.013 -9.386 -10.951 883 HH21 ARG 110 HH21 ARG 110 13.563 -7.563 -13.878 884 HH22 ARG 110 HH22 ARG 110 14.272 -8.198 -12.431 885 H TYR 111 H TYR 111 4.729 -8.480 -12.945 886 HA TYR 111 HA TYR 111 3.168 -10.772 -13.783 887 HB2 TYR 111 HB2 TYR 111 2.731 -8.836 -11.505 888 HB3 TYR 111 HB3 TYR 111 1.854 -10.339 -11.752 889 HD1 TYR 111 HD1 TYR 111 4.713 -8.821 -10.267 890 HD2 TYR 111 HD2 TYR 111 3.242 -12.522 -11.776 891 HE1 TYR 111 HE1 TYR 111 6.439 -10.020 -8.999 892 HE2 TYR 111 HE2 TYR 111 4.969 -13.729 -10.514 893 HH TYR 111 HH TYR 111 7.183 -13.280 -9.549 894 H LYS 112 H LYS 112 3.241 -7.643 -14.749 895 HA LYS 112 HA LYS 112 0.391 -7.204 -15.119 896 HB2 LYS 112 HB2 LYS 112 1.849 -5.351 -14.489 897 HB3 LYS 112 HB3 LYS 112 2.823 -5.600 -15.928 898 HG2 LYS 112 HG2 LYS 112 1.348 -3.703 -16.211 899 HG3 LYS 112 HG3 LYS 112 0.902 -4.990 -17.313 900 HD2 LYS 112 HD2 LYS 112 -0.955 -5.628 -15.864 901 HD3 LYS 112 HD3 LYS 112 -0.477 -4.403 -14.690 902 HE2 LYS 112 HE2 LYS 112 -2.347 -3.562 -15.944 903 HE3 LYS 112 HE3 LYS 112 -0.907 -2.658 -16.416 904 HZ1 LYS 112 HZ1 LYS 112 -2.163 -3.219 -18.354 905 HZ2 LYS 112 HZ2 LYS 112 -2.191 -4.854 -17.938 906 HZ3 LYS 112 HZ3 LYS 112 -0.730 -4.121 -18.369 907 H ASP 113 H ASP 113 3.224 -8.204 -16.889 908 HA ASP 113 HA ASP 113 1.838 -8.375 -19.433 909 HB2 ASP 113 HB2 ASP 113 4.659 -8.941 -18.531 910 HB3 ASP 113 HB3 ASP 113 4.094 -9.309 -20.147 911 H ALA 114 H ALA 114 2.483 -10.313 -16.691 912 HA ALA 114 HA ALA 114 2.368 -12.873 -17.994 913 HB1 ALA 114 HB1 ALA 114 2.114 -12.297 -15.056 914 HB2 ALA 114 HB2 ALA 114 3.652 -12.446 -15.905 915 HB3 ALA 114 HB3 ALA 114 2.559 -13.827 -15.814 916 H ASP 115 H ASP 115 0.042 -10.634 -17.323 917 HA ASP 115 HA ASP 115 -2.064 -12.623 -16.829 918 HB2 ASP 115 HB2 ASP 115 -1.885 -10.766 -15.198 919 HB3 ASP 115 HB3 ASP 115 -2.192 -9.615 -16.492 920 H1 GLY 519 H1 GLY 519 -14.133 15.824 22.093 921 H2 GLY 519 H2 GLY 519 -12.503 16.261 22.203 922 H3 GLY 519 H3 GLY 519 -13.656 17.407 21.734 923 HA2 GLY 519 HA2 GLY 519 -12.999 17.775 24.021 924 HA3 GLY 519 HA3 GLY 519 -14.693 17.319 23.906 925 H SER 520 H SER 520 -15.338 15.226 24.544 926 HA SER 520 HA SER 520 -13.427 13.896 26.349 927 HB2 SER 520 HB2 SER 520 -15.275 14.850 27.589 928 HB3 SER 520 HB3 SER 520 -16.446 14.093 26.512 929 HG SER 520 HG SER 520 -15.364 13.094 28.718 930 HA PRO 521 HA PRO 521 -13.880 10.543 23.207 931 HB2 PRO 521 HB2 PRO 521 -11.846 9.335 25.019 932 HB3 PRO 521 HB3 PRO 521 -11.834 9.469 23.263 933 HG2 PRO 521 HG2 PRO 521 -10.331 11.038 24.611 934 HG3 PRO 521 HG3 PRO 521 -11.190 11.674 23.377 935 HD2 PRO 521 HD2 PRO 521 -11.849 11.835 26.212 936 HD3 PRO 521 HD3 PRO 521 -11.856 13.067 25.140 937 H GLY 522 H GLY 522 -14.895 8.553 23.247 938 HA2 GLY 522 HA2 GLY 522 -15.458 7.256 25.800 939 HA3 GLY 522 HA3 GLY 522 -16.844 7.884 24.921 940 H TYR 523 H TYR 523 -14.706 5.295 25.319 941 HA TYR 523 HA TYR 523 -14.436 3.248 24.394 942 HB2 TYR 523 HB2 TYR 523 -16.836 3.030 24.843 943 HB3 TYR 523 HB3 TYR 523 -17.210 3.739 23.278 944 HD1 TYR 523 HD1 TYR 523 -15.767 0.766 24.953 945 HD2 TYR 523 HD2 TYR 523 -17.202 2.413 21.299 946 HE1 TYR 523 HE1 TYR 523 -15.742 -1.474 23.938 947 HE2 TYR 523 HE2 TYR 523 -17.183 0.176 20.278 948 HH TYR 523 HH TYR 523 -16.046 -1.988 20.607 949 HA PRO 524 HA PRO 524 -12.838 4.742 20.314 950 HB2 PRO 524 HB2 PRO 524 -10.597 3.225 20.303 951 HB3 PRO 524 HB3 PRO 524 -10.692 4.767 21.162 952 HG2 PRO 524 HG2 PRO 524 -11.000 2.059 22.280 953 HG3 PRO 524 HG3 PRO 524 -10.102 3.291 22.865 954 HD2 PRO 524 HD2 PRO 524 -12.500 2.886 23.877 955 HD3 PRO 524 HD3 PRO 524 -11.984 4.423 23.679 956 H ASN 525 H ASN 525 -12.878 3.796 18.301 957 HA ASN 525 HA ASN 525 -13.801 1.008 18.192 958 HB2 ASN 525 HB2 ASN 525 -14.241 3.274 16.231 959 HB3 ASN 525 HB3 ASN 525 -14.726 1.613 15.933 960 HD21 ASN 525 HD21 ASN 525 -15.752 4.560 16.961 961 HD22 ASN 525 HD22 ASN 525 -17.164 4.093 17.840 962 H GLY 526 H GLY 526 -12.775 -0.504 17.000 963 HA2 GLY 526 HA2 GLY 526 -11.313 -1.048 15.091 964 HA3 GLY 526 HA3 GLY 526 -10.333 0.336 15.557 965 H LEU 527 H LEU 527 -11.052 -2.993 16.128 966 HA LEU 527 HA LEU 527 -8.967 -3.123 18.200 967 HB2 LEU 527 HB2 LEU 527 -11.420 -4.870 17.922 968 HB3 LEU 527 HB3 LEU 527 -10.167 -5.051 19.131 969 HG LEU 527 HG LEU 527 -11.901 -2.586 18.918 970 HD11 LEU 527 HD11 LEU 527 -12.252 -5.013 20.672 971 HD12 LEU 527 HD12 LEU 527 -13.315 -4.513 19.358 972 HD13 LEU 527 HD13 LEU 527 -13.168 -3.513 20.802 973 HD21 LEU 527 HD21 LEU 527 -11.162 -2.214 21.235 974 HD22 LEU 527 HD22 LEU 527 -9.802 -2.239 20.111 975 HD23 LEU 527 HD23 LEU 527 -10.130 -3.642 21.129 976 H LEU 528 H LEU 528 -8.382 -5.625 18.420 977 HA LEU 528 HA LEU 528 -7.112 -7.306 17.699 978 HB2 LEU 528 HB2 LEU 528 -8.907 -7.104 15.288 979 HB3 LEU 528 HB3 LEU 528 -7.831 -8.433 15.605 980 HG LEU 528 HG LEU 528 -10.138 -7.686 17.419 981 HD11 LEU 528 HD11 LEU 528 -11.030 -8.285 15.262 982 HD12 LEU 528 HD12 LEU 528 -11.284 -9.625 16.380 983 HD13 LEU 528 HD13 LEU 528 -9.988 -9.705 15.187 984 HD21 LEU 528 HD21 LEU 528 -9.853 -9.947 18.300 985 HD22 LEU 528 HD22 LEU 528 -8.368 -9.015 18.490 986 HD23 LEU 528 HD23 LEU 528 -8.498 -10.217 17.205 987 H SER 529 H SER 529 -7.076 -4.414 16.000 988 HA SER 529 HA SER 529 -4.356 -4.944 15.062 989 HB2 SER 529 HB2 SER 529 -5.458 -5.290 13.014 990 HB3 SER 529 HB3 SER 529 -6.614 -3.994 13.308 991 HG SER 529 HG SER 529 -4.177 -3.892 12.136 992 H GLY 530 H GLY 530 -6.823 -2.350 15.050 993 HA2 GLY 530 HA2 GLY 530 -6.827 -0.331 16.175 994 HA3 GLY 530 HA3 GLY 530 -5.263 -0.731 16.859 995 H ASP 531 H ASP 531 -5.208 -1.075 13.511 996 HA ASP 531 HA ASP 531 -4.218 1.662 13.102 997 HB2 ASP 531 HB2 ASP 531 -2.819 -0.827 12.098 998 HB3 ASP 531 HB3 ASP 531 -2.291 0.833 11.859 999 H GLU 532 H GLU 532 -6.371 -0.594 12.157 1000 HA GLU 532 HA GLU 532 -6.278 -0.023 9.303 1001 HB2 GLU 532 HB2 GLU 532 -7.823 -2.001 10.950 1002 HB3 GLU 532 HB3 GLU 532 -8.073 -1.776 9.240 1003 HG2 GLU 532 HG2 GLU 532 -5.747 -2.413 8.836 1004 HG3 GLU 532 HG3 GLU 532 -5.523 -2.654 10.565 1005 H ASP 533 H ASP 533 -7.407 1.559 11.754 1006 HA ASP 533 HA ASP 533 -10.081 2.158 10.704 1007 HB2 ASP 533 HB2 ASP 533 -8.820 2.787 13.384 1008 HB3 ASP 533 HB3 ASP 533 -10.435 3.294 12.906 1009 H PHE 534 H PHE 534 -6.904 3.512 11.089 1010 HA PHE 534 HA PHE 534 -7.866 6.221 10.531 1011 HB2 PHE 534 HB2 PHE 534 -5.210 5.181 11.508 1012 HB3 PHE 534 HB3 PHE 534 -5.432 6.846 10.989 1013 HD1 PHE 534 HD1 PHE 534 -5.766 4.514 13.682 1014 HD2 PHE 534 HD2 PHE 534 -7.148 8.264 12.211 1015 HE1 PHE 534 HE1 PHE 534 -6.536 5.112 15.941 1016 HE2 PHE 534 HE2 PHE 534 -7.921 8.866 14.468 1017 HZ PHE 534 HZ PHE 534 -7.615 7.290 16.336 1018 H SER 535 H SER 535 -6.507 3.582 8.910 1019 HA SER 535 HA SER 535 -5.269 5.146 6.807 1020 HB2 SER 535 HB2 SER 535 -4.667 3.036 5.785 1021 HB3 SER 535 HB3 SER 535 -4.270 2.985 7.499 1022 HG SER 535 HG SER 535 -6.348 1.688 6.101 1023 H SER 536 H SER 536 -8.387 4.331 7.559 1024 HA SER 536 HA SER 536 -9.382 4.084 4.847 1025 HB2 SER 536 HB2 SER 536 -11.608 4.049 5.894 1026 HB3 SER 536 HB3 SER 536 -10.527 2.904 6.683 1027 HG SER 536 HG SER 536 -10.170 4.583 8.281 1028 H ILE 537 H ILE 537 -9.200 6.543 7.376 1029 HA ILE 537 HA ILE 537 -10.375 8.558 5.646 1030 HB ILE 537 HB ILE 537 -10.052 10.105 7.584 1031 HG12 ILE 537 HG12 ILE 537 -9.188 7.646 9.129 1032 HG13 ILE 537 HG13 ILE 537 -8.069 8.853 8.520 1033 HG21 ILE 537 HG21 ILE 537 -11.565 7.581 8.273 1034 HG22 ILE 537 HG22 ILE 537 -12.190 8.953 7.362 1035 HG23 ILE 537 HG23 ILE 537 -11.762 9.147 9.061 1036 HD11 ILE 537 HD11 ILE 537 -9.388 10.540 9.913 1037 HD12 ILE 537 HD12 ILE 537 -8.385 9.378 10.785 1038 HD13 ILE 537 HD13 ILE 537 -10.129 9.138 10.687 1039 H ALA 538 H ALA 538 -7.242 7.423 6.561 1040 HA ALA 538 HA ALA 538 -5.921 9.727 5.419 1041 HB1 ALA 538 HB1 ALA 538 -4.988 8.446 7.361 1042 HB2 ALA 538 HB2 ALA 538 -3.866 8.718 6.031 1043 HB3 ALA 538 HB3 ALA 538 -4.628 7.142 6.231 1044 H ASP 539 H ASP 539 -7.677 7.510 4.078 1045 HA ASP 539 HA ASP 539 -6.005 6.885 1.761 1046 HB2 ASP 539 HB2 ASP 539 -8.288 5.662 3.033 1047 HB3 ASP 539 HB3 ASP 539 -8.673 6.005 1.352 1048 H MET 540 H MET 540 -8.797 8.807 2.728 1049 HA MET 540 HA MET 540 -9.237 10.035 0.184 1050 HB2 MET 540 HB2 MET 540 -9.974 10.890 2.990 1051 HB3 MET 540 HB3 MET 540 -10.446 11.773 1.545 1052 HG2 MET 540 HG2 MET 540 -11.237 8.958 2.270 1053 HG3 MET 540 HG3 MET 540 -12.272 10.381 2.275 1054 HE1 MET 540 HE1 MET 540 -11.380 11.817 -0.536 1055 HE2 MET 540 HE2 MET 540 -12.987 11.678 0.170 1056 HE3 MET 540 HE3 MET 540 -12.711 11.169 -1.496 1057 H ASP 541 H ASP 541 -6.883 10.360 2.606 1058 HA ASP 541 HA ASP 541 -6.125 13.054 2.149 1059 HB2 ASP 541 HB2 ASP 541 -5.034 10.739 3.672 1060 HB3 ASP 541 HB3 ASP 541 -4.048 12.161 3.460 1061 H PHE 542 H PHE 542 -5.255 9.951 0.770 1062 HA PHE 542 HA PHE 542 -2.689 10.844 -0.212 1063 HB2 PHE 542 HB2 PHE 542 -3.602 8.414 0.503 1064 HB3 PHE 542 HB3 PHE 542 -3.828 8.306 -1.236 1065 HD1 PHE 542 HD1 PHE 542 -1.426 8.385 1.470 1066 HD2 PHE 542 HD2 PHE 542 -1.919 8.506 -2.751 1067 HE1 PHE 542 HE1 PHE 542 0.956 7.856 1.179 1068 HE2 PHE 542 HE2 PHE 542 0.459 7.990 -3.039 1069 HZ PHE 542 HZ PHE 542 1.894 7.647 -1.084 1070 H SER 543 H SER 543 -5.896 10.907 -1.425 1071 HA SER 543 HA SER 543 -5.121 10.908 -4.222 1072 HB2 SER 543 HB2 SER 543 -7.526 11.213 -4.663 1073 HB3 SER 543 HB3 SER 543 -7.238 9.867 -3.566 1074 HG SER 543 HG SER 543 -7.683 11.420 -1.839 1075 H ALA 544 H ALA 544 -5.543 13.212 -1.713 1076 HA ALA 544 HA ALA 544 -5.866 15.463 -3.533 1077 HB1 ALA 544 HB1 ALA 544 -7.131 15.423 -1.432 1078 HB2 ALA 544 HB2 ALA 544 -6.058 16.820 -1.526 1079 HB3 ALA 544 HB3 ALA 544 -5.617 15.435 -0.528 1080 H LEU 545 H LEU 545 -3.313 13.715 -2.102 1081 HA LEU 545 HA LEU 545 -1.450 15.916 -1.950 1082 HB2 LEU 545 HB2 LEU 545 -1.147 12.961 -1.481 1083 HB3 LEU 545 HB3 LEU 545 0.151 14.105 -1.309 1084 HG LEU 545 HG LEU 545 -2.369 14.209 0.327 1085 HD11 LEU 545 HD11 LEU 545 -1.234 12.161 0.851 1086 HD12 LEU 545 HD12 LEU 545 -0.946 13.314 2.153 1087 HD13 LEU 545 HD13 LEU 545 0.311 13.002 0.957 1088 HD21 LEU 545 HD21 LEU 545 -0.943 15.617 1.826 1089 HD22 LEU 545 HD22 LEU 545 -1.307 16.357 0.269 1090 HD23 LEU 545 HD23 LEU 545 0.276 15.635 0.550 1091 H LEU 546 H LEU 546 -2.152 13.253 -4.152 1092 HA LEU 546 HA LEU 546 0.308 13.584 -5.648 1093 HB2 LEU 546 HB2 LEU 546 -2.153 11.926 -6.188 1094 HB3 LEU 546 HB3 LEU 546 -0.723 11.910 -7.194 1095 HG LEU 546 HG LEU 546 -0.822 11.083 -4.300 1096 HD11 LEU 546 HD11 LEU 546 -0.750 9.475 -6.845 1097 HD12 LEU 546 HD12 LEU 546 -2.030 9.498 -5.631 1098 HD13 LEU 546 HD13 LEU 546 -0.455 8.809 -5.243 1099 HD21 LEU 546 HD21 LEU 546 1.365 11.965 -5.004 1100 HD22 LEU 546 HD22 LEU 546 1.384 10.822 -6.344 1101 HD23 LEU 546 HD23 LEU 546 1.435 10.232 -4.682 1102 H SER 547 H SER 547 -3.003 14.579 -5.879 1103 HA SER 547 HA SER 547 -2.625 15.790 -8.504 1104 HB2 SER 547 HB2 SER 547 -5.019 16.380 -8.356 1105 HB3 SER 547 HB3 SER 547 -4.756 14.661 -8.070 1106 HG SER 547 HG SER 547 -5.859 16.514 -6.447 1107 H GLN 548 H GLN 548 -3.607 16.910 -5.247 1108 HA GLN 548 HA GLN 548 -3.576 18.929 -4.215 1109 HB2 GLN 548 HB2 GLN 548 -0.895 18.742 -5.513 1110 HB3 GLN 548 HB3 GLN 548 -1.341 20.252 -4.734 1111 HG2 GLN 548 HG2 GLN 548 -1.773 19.012 -2.649 1112 HG3 GLN 548 HG3 GLN 548 -1.216 17.533 -3.432 1113 HE21 GLN 548 HE21 GLN 548 0.978 17.335 -3.976 1114 HE22 GLN 548 HE22 GLN 548 2.187 18.314 -3.226 1115 H ILE 549 H ILE 549 -5.250 20.104 -4.949 1116 HA ILE 549 HA ILE 549 -4.783 21.898 -7.245 1117 HB ILE 549 HB ILE 549 -7.428 20.927 -6.100 1118 HG12 ILE 549 HG12 ILE 549 -6.229 20.466 -8.850 1119 HG13 ILE 549 HG13 ILE 549 -6.120 19.307 -7.532 1120 HG21 ILE 549 HG21 ILE 549 -7.666 23.233 -6.836 1121 HG22 ILE 549 HG22 ILE 549 -8.479 22.165 -7.979 1122 HG23 ILE 549 HG23 ILE 549 -6.905 22.849 -8.380 1123 HD11 ILE 549 HD11 ILE 549 -7.878 18.710 -9.103 1124 HD12 ILE 549 HD12 ILE 549 -8.667 20.263 -8.830 1125 HD13 ILE 549 HD13 ILE 549 -8.553 19.090 -7.519 1126 H SER 550 H SER 550 -4.279 23.897 -6.689 1127 HA SER 550 HA SER 550 -5.366 25.025 -4.191 1128 HB2 SER 550 HB2 SER 550 -2.952 24.746 -4.036 1129 HB3 SER 550 HB3 SER 550 -2.725 25.613 -5.555 1130 HG SER 550 HG SER 550 -3.169 26.580 -3.026 1131 H SER 551 H SER 551 -6.474 26.879 -4.280 1132 HA SER 551 HA SER 551 -6.505 28.380 -6.815 1133 HB2 SER 551 HB2 SER 551 -8.863 27.804 -4.998 1134 HB3 SER 551 HB3 SER 551 -8.910 28.852 -6.416 1135 HG SER 551 HG SER 551 -8.416 27.054 -7.696 Start of MODEL 20 1 H2 PRO 1 H2 PRO 1 19.304 2.922 -5.978 2 H3 PRO 1 H1 PRO 1 20.650 2.055 -5.656 3 HA PRO 1 HA PRO 1 18.136 1.251 -6.656 4 HB2 PRO 1 HB2 PRO 1 20.465 -0.436 -7.505 5 HB3 PRO 1 HB3 PRO 1 18.833 -0.338 -8.199 6 HG2 PRO 1 HG2 PRO 1 20.892 0.999 -9.235 7 HG3 PRO 1 HG3 PRO 1 19.364 1.569 -9.319 8 HD2 PRO 1 HD2 PRO 1 21.489 2.577 -7.694 9 HD3 PRO 1 HD3 PRO 1 20.106 3.350 -8.090 10 H SER 2 H SER 2 17.408 0.494 -4.779 11 HA SER 2 HA SER 2 18.957 -1.531 -3.360 12 HB2 SER 2 HB2 SER 2 19.361 0.686 -2.235 13 HB3 SER 2 HB3 SER 2 17.632 0.771 -1.902 14 HG SER 2 HG SER 2 19.436 -0.377 -0.427 15 H HIS 3 H HIS 3 17.759 -3.196 -2.723 16 HA HIS 3 HA HIS 3 14.901 -3.245 -3.205 17 HB2 HIS 3 HB2 HIS 3 16.843 -5.316 -2.196 18 HB3 HIS 3 HB3 HIS 3 15.147 -5.629 -2.394 19 HD1 HIS 3 HD1 HIS 3 16.493 -7.515 -4.010 20 HD2 HIS 3 HD2 HIS 3 16.082 -3.605 -5.360 21 HE1 HIS 3 HE1 HIS 3 16.822 -7.627 -6.501 22 HE2 HIS 3 HE2 HIS 3 16.609 -5.245 -7.292 23 H SER 4 H SER 4 16.839 -2.306 -0.650 24 HA SER 4 HA SER 4 14.777 -2.777 1.359 25 HB2 SER 4 HB2 SER 4 16.444 -3.555 2.966 26 HB3 SER 4 HB3 SER 4 16.456 -4.581 1.541 27 HG SER 4 HG SER 4 18.313 -2.590 2.279 28 H GLY 5 H GLY 5 14.933 -1.394 3.206 29 HA2 GLY 5 HA2 GLY 5 16.878 0.692 3.389 30 HA3 GLY 5 HA3 GLY 5 15.353 1.280 2.744 31 H ALA 6 H ALA 6 14.430 2.403 4.348 32 HA ALA 6 HA ALA 6 13.876 0.943 6.842 33 HB1 ALA 6 HB1 ALA 6 14.479 3.898 6.735 34 HB2 ALA 6 HB2 ALA 6 15.624 2.651 7.240 35 HB3 ALA 6 HB3 ALA 6 14.150 2.919 8.169 36 H ALA 7 H ALA 7 11.768 0.921 7.410 37 HA ALA 7 HA ALA 7 9.939 2.945 6.350 38 HB1 ALA 7 HB1 ALA 7 9.810 1.250 4.671 39 HB2 ALA 7 HB2 ALA 7 8.341 1.161 5.644 40 HB3 ALA 7 HB3 ALA 7 9.630 -0.006 5.889 41 H ILE 8 H ILE 8 7.987 3.154 7.489 42 HA ILE 8 HA ILE 8 7.886 1.805 10.112 43 HB ILE 8 HB ILE 8 6.802 4.538 9.359 44 HG12 ILE 8 HG12 ILE 8 9.011 3.913 11.315 45 HG13 ILE 8 HG13 ILE 8 9.312 4.302 9.636 46 HG21 ILE 8 HG21 ILE 8 5.360 3.479 11.014 47 HG22 ILE 8 HG22 ILE 8 6.262 4.807 11.746 48 HG23 ILE 8 HG23 ILE 8 6.756 3.141 12.037 49 HD11 ILE 8 HD11 ILE 8 8.365 6.505 9.952 50 HD12 ILE 8 HD12 ILE 8 9.650 6.213 11.124 51 HD13 ILE 8 HD13 ILE 8 7.954 6.105 11.622 52 H PHE 9 H PHE 9 6.094 0.662 10.619 53 HA PHE 9 HA PHE 9 3.692 0.893 8.953 54 HB2 PHE 9 HB2 PHE 9 5.111 -0.920 8.015 55 HB3 PHE 9 HB3 PHE 9 5.068 -1.742 9.562 56 HD1 PHE 9 HD1 PHE 9 2.944 -0.586 6.747 57 HD2 PHE 9 HD2 PHE 9 3.314 -3.238 10.060 58 HE1 PHE 9 HE1 PHE 9 0.903 -1.757 6.033 59 HE2 PHE 9 HE2 PHE 9 1.283 -4.418 9.345 60 HZ PHE 9 HZ PHE 9 0.103 -3.733 7.325 61 H GLU 10 H GLU 10 2.052 1.232 10.247 62 HA GLU 10 HA GLU 10 0.649 1.309 12.021 63 HB2 GLU 10 HB2 GLU 10 1.936 -1.321 12.759 64 HB3 GLU 10 HB3 GLU 10 0.503 -0.665 13.531 65 HG2 GLU 10 HG2 GLU 10 -0.701 -0.764 11.434 66 HG3 GLU 10 HG3 GLU 10 0.740 -1.359 10.611 67 H LYS 11 H LYS 11 2.993 2.751 12.184 68 HA LYS 11 HA LYS 11 4.018 4.220 13.567 69 HB2 LYS 11 HB2 LYS 11 2.231 3.035 15.694 70 HB3 LYS 11 HB3 LYS 11 3.282 4.420 15.948 71 HG2 LYS 11 HG2 LYS 11 2.077 5.662 14.228 72 HG3 LYS 11 HG3 LYS 11 1.038 4.276 13.935 73 HD2 LYS 11 HD2 LYS 11 1.254 5.659 16.601 74 HD3 LYS 11 HD3 LYS 11 0.056 6.095 15.384 75 HE2 LYS 11 HE2 LYS 11 0.358 3.374 16.643 76 HE3 LYS 11 HE3 LYS 11 -0.850 4.571 17.103 77 HZ1 LYS 11 HZ1 LYS 11 -0.608 3.267 14.442 78 HZ2 LYS 11 HZ2 LYS 11 -1.758 4.437 14.856 79 HZ3 LYS 11 HZ3 LYS 11 -1.782 2.924 15.612 80 H VAL 12 H VAL 12 4.442 0.908 13.917 81 HA VAL 12 HA VAL 12 6.729 1.214 15.706 82 HB VAL 12 HB VAL 12 5.673 -1.289 14.345 83 HG11 VAL 12 HG11 VAL 12 7.123 -2.543 15.867 84 HG12 VAL 12 HG12 VAL 12 7.853 -1.024 16.384 85 HG13 VAL 12 HG13 VAL 12 8.013 -1.557 14.713 86 HG21 VAL 12 HG21 VAL 12 4.898 -1.988 16.559 87 HG22 VAL 12 HG22 VAL 12 4.109 -0.504 16.026 88 HG23 VAL 12 HG23 VAL 12 5.403 -0.433 17.223 89 H SER 13 H SER 13 8.575 1.936 14.894 90 HA SER 13 HA SER 13 8.991 2.104 12.072 91 HB2 SER 13 HB2 SER 13 9.766 3.932 13.449 92 HB3 SER 13 HB3 SER 13 10.785 2.843 14.387 93 HG SER 13 HG SER 13 12.051 3.892 12.862 94 H GLY 14 H GLY 14 10.235 0.961 10.755 95 HA2 GLY 14 HA2 GLY 14 11.888 -1.184 11.848 96 HA3 GLY 14 HA3 GLY 14 10.503 -1.655 10.886 97 H ILE 15 H ILE 15 12.018 -2.702 9.550 98 HA ILE 15 HA ILE 15 13.326 -0.911 7.613 99 HB ILE 15 HB ILE 15 14.380 -3.411 8.927 100 HG12 ILE 15 HG12 ILE 15 16.063 -0.993 8.404 101 HG13 ILE 15 HG13 ILE 15 14.846 -0.921 9.657 102 HG21 ILE 15 HG21 ILE 15 15.405 -2.309 6.321 103 HG22 ILE 15 HG22 ILE 15 14.767 -3.927 6.645 104 HG23 ILE 15 HG23 ILE 15 16.303 -3.426 7.352 105 HD11 ILE 15 HD11 ILE 15 15.944 -2.921 10.706 106 HD12 ILE 15 HD12 ILE 15 16.879 -1.427 10.715 107 HD13 ILE 15 HD13 ILE 15 17.261 -2.691 9.549 108 H ILE 16 H ILE 16 12.860 -1.310 5.504 109 HA ILE 16 HA ILE 16 11.059 -3.548 4.922 110 HB ILE 16 HB ILE 16 11.077 -0.780 4.155 111 HG12 ILE 16 HG12 ILE 16 9.234 -3.033 4.397 112 HG13 ILE 16 HG13 ILE 16 9.004 -1.344 4.805 113 HG21 ILE 16 HG21 ILE 16 10.705 -2.536 1.735 114 HG22 ILE 16 HG22 ILE 16 12.178 -1.606 2.049 115 HG23 ILE 16 HG23 ILE 16 10.638 -0.770 1.824 116 HD11 ILE 16 HD11 ILE 16 8.546 -0.886 2.401 117 HD12 ILE 16 HD12 ILE 16 7.379 -1.954 3.171 118 HD13 ILE 16 HD13 ILE 16 8.617 -2.622 2.104 119 H ALA 17 H ALA 17 11.579 -5.145 3.570 120 HA ALA 17 HA ALA 17 13.929 -4.890 1.825 121 HB1 ALA 17 HB1 ALA 17 14.724 -7.120 2.477 122 HB2 ALA 17 HB2 ALA 17 13.454 -7.211 3.697 123 HB3 ALA 17 HB3 ALA 17 14.728 -5.999 3.838 124 H ILE 18 H ILE 18 13.694 -5.791 -0.158 125 HA ILE 18 HA ILE 18 11.154 -7.139 -0.735 126 HB ILE 18 HB ILE 18 13.162 -5.858 -2.597 127 HG12 ILE 18 HG12 ILE 18 10.280 -5.180 -2.154 128 HG13 ILE 18 HG13 ILE 18 11.570 -4.505 -1.185 129 HG21 ILE 18 HG21 ILE 18 10.579 -7.200 -3.356 130 HG22 ILE 18 HG22 ILE 18 12.193 -7.815 -3.710 131 HG23 ILE 18 HG23 ILE 18 11.647 -6.300 -4.435 132 HD11 ILE 18 HD11 ILE 18 12.586 -3.619 -3.282 133 HD12 ILE 18 HD12 ILE 18 11.004 -2.934 -2.891 134 HD13 ILE 18 HD13 ILE 18 11.139 -4.181 -4.133 135 H ASN 19 H ASN 19 10.990 -9.108 -1.334 136 HA ASN 19 HA ASN 19 13.319 -10.871 -1.388 137 HB2 ASN 19 HB2 ASN 19 10.358 -11.449 -1.028 138 HB3 ASN 19 HB3 ASN 19 11.611 -12.673 -1.061 139 HD21 ASN 19 HD21 ASN 19 9.921 -12.466 1.108 140 HD22 ASN 19 HD22 ASN 19 10.808 -11.901 2.477 141 H GLU 20 H GLU 20 14.113 -10.995 -3.409 142 HA GLU 20 HA GLU 20 12.301 -11.928 -5.534 143 HB2 GLU 20 HB2 GLU 20 14.854 -10.333 -5.856 144 HB3 GLU 20 HB3 GLU 20 13.949 -11.026 -7.183 145 HG2 GLU 20 HG2 GLU 20 12.049 -9.565 -6.593 146 HG3 GLU 20 HG3 GLU 20 13.017 -8.868 -5.305 147 H ASP 21 H ASP 21 13.623 -13.299 -7.220 148 HA ASP 21 HA ASP 21 14.722 -15.249 -7.696 149 HB2 ASP 21 HB2 ASP 21 16.290 -14.719 -5.157 150 HB3 ASP 21 HB3 ASP 21 16.634 -16.012 -6.291 151 H VAL 22 H VAL 22 12.691 -14.711 -5.278 152 HA VAL 22 HA VAL 22 12.475 -17.474 -4.313 153 HB VAL 22 HB VAL 22 10.902 -16.533 -2.616 154 HG11 VAL 22 HG11 VAL 22 13.656 -15.311 -2.714 155 HG12 VAL 22 HG12 VAL 22 13.200 -16.864 -2.009 156 HG13 VAL 22 HG13 VAL 22 12.632 -15.364 -1.278 157 HG21 VAL 22 HG21 VAL 22 10.788 -14.100 -2.232 158 HG22 VAL 22 HG22 VAL 22 10.100 -14.534 -3.795 159 HG23 VAL 22 HG23 VAL 22 11.714 -13.824 -3.708 160 H SER 23 H SER 23 9.889 -17.822 -3.772 161 HA SER 23 HA SER 23 8.516 -17.910 -6.294 162 HB2 SER 23 HB2 SER 23 6.712 -18.910 -5.003 163 HB3 SER 23 HB3 SER 23 8.234 -19.575 -4.416 164 HG SER 23 HG SER 23 6.625 -17.579 -3.210 165 HA PRO 24 HA PRO 24 7.118 -14.497 -7.490 166 HB2 PRO 24 HB2 PRO 24 4.538 -14.046 -6.037 167 HB3 PRO 24 HB3 PRO 24 4.912 -13.826 -7.750 168 HG2 PRO 24 HG2 PRO 24 3.662 -15.967 -6.950 169 HG3 PRO 24 HG3 PRO 24 4.795 -16.084 -8.121 170 HD2 PRO 24 HD2 PRO 24 4.969 -16.966 -5.431 171 HD3 PRO 24 HD3 PRO 24 5.727 -17.578 -6.741 172 H ALA 25 H ALA 25 8.074 -12.664 -7.115 173 HA ALA 25 HA ALA 25 9.306 -12.088 -4.771 174 HB1 ALA 25 HB1 ALA 25 10.091 -11.250 -6.903 175 HB2 ALA 25 HB2 ALA 25 9.936 -9.933 -5.738 176 HB3 ALA 25 HB3 ALA 25 8.716 -10.150 -6.992 177 H GLU 26 H GLU 26 9.163 -10.804 -3.132 178 HA GLU 26 HA GLU 26 6.495 -9.778 -2.569 179 HB2 GLU 26 HB2 GLU 26 8.196 -11.027 -0.453 180 HB3 GLU 26 HB3 GLU 26 6.485 -10.800 -0.465 181 HG2 GLU 26 HG2 GLU 26 6.198 -12.593 -2.065 182 HG3 GLU 26 HG3 GLU 26 7.941 -12.789 -2.176 183 H LEU 27 H LEU 27 6.486 -8.389 -0.545 184 HA LEU 27 HA LEU 27 8.933 -6.790 -0.255 185 HB2 LEU 27 HB2 LEU 27 7.453 -5.528 -1.622 186 HB3 LEU 27 HB3 LEU 27 6.099 -5.841 -0.608 187 HG LEU 27 HG LEU 27 7.332 -4.398 1.125 188 HD11 LEU 27 HD11 LEU 27 9.488 -4.306 0.019 189 HD12 LEU 27 HD12 LEU 27 8.812 -2.709 0.322 190 HD13 LEU 27 HD13 LEU 27 8.757 -3.395 -1.303 191 HD21 LEU 27 HD21 LEU 27 5.294 -3.666 0.090 192 HD22 LEU 27 HD22 LEU 27 6.180 -3.134 -1.335 193 HD23 LEU 27 HD23 LEU 27 6.423 -2.318 0.207 194 H THR 28 H THR 28 9.668 -7.281 1.682 195 HA THR 28 HA THR 28 7.763 -8.040 3.782 196 HB THR 28 HB THR 28 10.689 -8.771 3.488 197 HG1 THR 28 HG1 THR 28 8.323 -9.932 2.644 198 HG21 THR 28 HG21 THR 28 10.262 -10.373 5.317 199 HG22 THR 28 HG22 THR 28 8.637 -9.707 5.509 200 HG23 THR 28 HG23 THR 28 10.052 -8.703 5.848 201 H TRP 29 H TRP 29 7.337 -6.378 5.091 202 HA TRP 29 HA TRP 29 9.431 -4.592 6.001 203 HB2 TRP 29 HB2 TRP 29 7.237 -3.591 5.721 204 HB3 TRP 29 HB3 TRP 29 6.508 -4.801 6.757 205 HD1 TRP 29 HD1 TRP 29 8.464 -1.550 6.886 206 HE1 TRP 29 HE1 TRP 29 8.536 -0.666 9.303 207 HE3 TRP 29 HE3 TRP 29 6.417 -5.577 9.306 208 HZ2 TRP 29 HZ2 TRP 29 7.810 -1.543 11.880 209 HZ3 TRP 29 HZ3 TRP 29 6.145 -5.457 11.751 210 HH2 TRP 29 HH2 TRP 29 6.827 -3.476 13.005 211 H ARG 30 H ARG 30 10.476 -4.701 7.866 212 HA ARG 30 HA ARG 30 9.661 -6.691 9.871 213 HB2 ARG 30 HB2 ARG 30 12.504 -6.055 9.049 214 HB3 ARG 30 HB3 ARG 30 12.022 -7.159 10.319 215 HG2 ARG 30 HG2 ARG 30 10.965 -8.603 8.663 216 HG3 ARG 30 HG3 ARG 30 11.485 -7.511 7.393 217 HD2 ARG 30 HD2 ARG 30 12.992 -9.343 7.531 218 HD3 ARG 30 HD3 ARG 30 13.804 -7.904 8.084 219 HE ARG 30 HE ARG 30 13.826 -8.748 10.258 220 HH11 ARG 30 HH11 ARG 30 12.189 -10.984 8.094 221 HH12 ARG 30 HH12 ARG 30 12.255 -12.299 9.219 222 HH21 ARG 30 HH21 ARG 30 13.899 -10.484 11.712 223 HH22 ARG 30 HH22 ARG 30 13.223 -12.016 11.264 224 H SER 31 H SER 31 10.646 -6.165 12.060 225 HA SER 31 HA SER 31 10.327 -3.360 12.626 226 HB2 SER 31 HB2 SER 31 10.596 -3.984 14.964 227 HB3 SER 31 HB3 SER 31 9.547 -5.152 14.166 228 HG SER 31 HG SER 31 11.132 -6.116 15.532 229 H THR 32 H THR 32 12.132 -2.261 14.098 230 HA THR 32 HA THR 32 14.425 -1.921 12.545 231 HB THR 32 HB THR 32 15.412 -1.029 14.850 232 HG1 THR 32 HG1 THR 32 12.791 -1.697 15.397 233 HG21 THR 32 HG21 THR 32 14.874 0.313 12.861 234 HG22 THR 32 HG22 THR 32 14.376 1.125 14.348 235 HG23 THR 32 HG23 THR 32 13.173 0.326 13.336 236 H ASP 33 H ASP 33 13.914 -4.151 15.227 237 HA ASP 33 HA ASP 33 16.561 -5.329 14.790 238 HB2 ASP 33 HB2 ASP 33 14.384 -6.060 16.770 239 HB3 ASP 33 HB3 ASP 33 15.978 -6.802 16.698 240 H GLY 34 H GLY 34 13.154 -5.869 14.257 241 HA2 GLY 34 HA2 GLY 34 12.374 -6.931 12.293 242 HA3 GLY 34 HA3 GLY 34 13.780 -7.979 12.302 243 H ASP 35 H ASP 35 12.194 -7.526 15.336 244 HA ASP 35 HA ASP 35 11.373 -10.226 15.555 245 HB2 ASP 35 HB2 ASP 35 10.361 -9.505 17.695 246 HB3 ASP 35 HB3 ASP 35 12.023 -8.975 17.528 247 H LYS 36 H LYS 36 9.735 -7.293 14.575 248 HA LYS 36 HA LYS 36 7.231 -8.781 14.145 249 HB2 LYS 36 HB2 LYS 36 7.835 -5.827 14.145 250 HB3 LYS 36 HB3 LYS 36 6.286 -6.476 13.676 251 HG2 LYS 36 HG2 LYS 36 6.080 -7.472 15.940 252 HG3 LYS 36 HG3 LYS 36 7.571 -6.641 16.382 253 HD2 LYS 36 HD2 LYS 36 6.062 -4.658 15.221 254 HD3 LYS 36 HD3 LYS 36 4.863 -5.589 16.126 255 HE2 LYS 36 HE2 LYS 36 6.194 -3.605 17.247 256 HE3 LYS 36 HE3 LYS 36 5.801 -5.063 18.156 257 HZ1 LYS 36 HZ1 LYS 36 8.110 -4.399 18.457 258 HZ2 LYS 36 HZ2 LYS 36 8.387 -4.534 16.793 259 HZ3 LYS 36 HZ3 LYS 36 8.010 -5.910 17.701 260 H VAL 37 H VAL 37 6.369 -8.972 12.068 261 HA VAL 37 HA VAL 37 7.894 -7.941 9.823 262 HB VAL 37 HB VAL 37 9.210 -9.877 10.365 263 HG11 VAL 37 HG11 VAL 37 8.356 -12.177 10.290 264 HG12 VAL 37 HG12 VAL 37 6.715 -11.550 10.129 265 HG13 VAL 37 HG13 VAL 37 7.640 -11.234 11.597 266 HG21 VAL 37 HG21 VAL 37 7.608 -10.611 7.931 267 HG22 VAL 37 HG22 VAL 37 9.312 -10.944 8.256 268 HG23 VAL 37 HG23 VAL 37 8.773 -9.289 7.975 269 H HIS 38 H HIS 38 6.778 -7.753 7.952 270 HA HIS 38 HA HIS 38 4.177 -9.085 7.616 271 HB2 HIS 38 HB2 HIS 38 4.717 -6.119 7.281 272 HB3 HIS 38 HB3 HIS 38 3.273 -6.920 6.679 273 HD1 HIS 38 HD1 HIS 38 1.647 -7.920 8.547 274 HD2 HIS 38 HD2 HIS 38 4.636 -5.383 9.923 275 HE1 HIS 38 HE1 HIS 38 0.952 -7.260 10.872 276 HE2 HIS 38 HE2 HIS 38 2.825 -5.806 11.722 277 H THR 39 H THR 39 3.605 -9.441 5.374 278 HA THR 39 HA THR 39 5.817 -8.991 3.479 279 HB THR 39 HB THR 39 4.344 -11.601 3.898 280 HG1 THR 39 HG1 THR 39 5.987 -11.375 5.382 281 HG21 THR 39 HG21 THR 39 6.466 -10.919 1.851 282 HG22 THR 39 HG22 THR 39 4.773 -11.279 1.505 283 HG23 THR 39 HG23 THR 39 5.826 -12.532 2.163 284 H VAL 40 H VAL 40 5.279 -8.188 1.567 285 HA VAL 40 HA VAL 40 2.479 -8.359 0.629 286 HB VAL 40 HB VAL 40 4.588 -6.247 0.133 287 HG11 VAL 40 HG11 VAL 40 2.921 -6.662 -1.802 288 HG12 VAL 40 HG12 VAL 40 3.173 -5.010 -1.231 289 HG13 VAL 40 HG13 VAL 40 1.745 -5.906 -0.719 290 HG21 VAL 40 HG21 VAL 40 2.062 -6.134 1.723 291 HG22 VAL 40 HG22 VAL 40 3.076 -4.746 1.330 292 HG23 VAL 40 HG23 VAL 40 3.718 -6.050 2.327 293 H VAL 41 H VAL 41 2.436 -10.045 -0.857 294 HA VAL 41 HA VAL 41 4.632 -10.551 -2.659 295 HB VAL 41 HB VAL 41 1.821 -11.750 -2.659 296 HG11 VAL 41 HG11 VAL 41 2.827 -13.563 -4.013 297 HG12 VAL 41 HG12 VAL 41 4.336 -12.655 -4.087 298 HG13 VAL 41 HG13 VAL 41 2.881 -12.005 -4.839 299 HG21 VAL 41 HG21 VAL 41 3.011 -12.268 -0.595 300 HG22 VAL 41 HG22 VAL 41 4.420 -12.802 -1.513 301 HG23 VAL 41 HG23 VAL 41 2.909 -13.709 -1.609 302 H LEU 42 H LEU 42 4.883 -9.560 -4.621 303 HA LEU 42 HA LEU 42 3.075 -7.427 -5.235 304 HB2 LEU 42 HB2 LEU 42 5.613 -8.298 -6.603 305 HB3 LEU 42 HB3 LEU 42 4.644 -6.974 -7.182 306 HG LEU 42 HG LEU 42 6.477 -6.046 -5.988 307 HD11 LEU 42 HD11 LEU 42 5.424 -4.693 -4.371 308 HD12 LEU 42 HD12 LEU 42 4.188 -5.901 -4.066 309 HD13 LEU 42 HD13 LEU 42 4.220 -5.044 -5.606 310 HD21 LEU 42 HD21 LEU 42 7.118 -8.002 -4.685 311 HD22 LEU 42 HD22 LEU 42 5.717 -7.762 -3.640 312 HD23 LEU 42 HD23 LEU 42 7.005 -6.558 -3.677 313 H SER 43 H SER 43 3.521 -10.618 -6.574 314 HA SER 43 HA SER 43 2.265 -10.169 -9.093 315 HB2 SER 43 HB2 SER 43 2.112 -12.581 -9.257 316 HB3 SER 43 HB3 SER 43 3.641 -12.174 -8.491 317 HG SER 43 HG SER 43 1.757 -12.461 -6.606 318 H THR 44 H THR 44 1.081 -9.816 -6.049 319 HA THR 44 HA THR 44 -1.712 -10.359 -6.813 320 HB THR 44 HB THR 44 -2.256 -10.586 -4.459 321 HG1 THR 44 HG1 THR 44 -0.586 -10.459 -2.869 322 HG21 THR 44 HG21 THR 44 0.227 -12.182 -5.063 323 HG22 THR 44 HG22 THR 44 -1.410 -12.606 -5.574 324 HG23 THR 44 HG23 THR 44 -0.998 -12.591 -3.859 325 H ILE 45 H ILE 45 0.500 -7.958 -6.510 326 HA ILE 45 HA ILE 45 -1.333 -5.873 -5.511 327 HB ILE 45 HB ILE 45 1.654 -5.800 -6.056 328 HG12 ILE 45 HG12 ILE 45 1.128 -7.214 -4.127 329 HG13 ILE 45 HG13 ILE 45 1.962 -5.757 -3.619 330 HG21 ILE 45 HG21 ILE 45 1.796 -3.630 -5.146 331 HG22 ILE 45 HG22 ILE 45 0.121 -3.671 -4.587 332 HG23 ILE 45 HG23 ILE 45 0.471 -3.589 -6.313 333 HD11 ILE 45 HD11 ILE 45 -0.079 -4.842 -2.724 334 HD12 ILE 45 HD12 ILE 45 0.136 -6.476 -2.100 335 HD13 ILE 45 HD13 ILE 45 -1.017 -6.178 -3.391 336 H ASP 46 H ASP 46 -1.873 -4.099 -6.803 337 HA ASP 46 HA ASP 46 -1.340 -4.442 -9.678 338 HB2 ASP 46 HB2 ASP 46 -3.680 -4.722 -9.075 339 HB3 ASP 46 HB3 ASP 46 -3.709 -3.159 -8.307 340 H LYS 47 H LYS 47 -1.672 -1.904 -7.157 341 HA LYS 47 HA LYS 47 0.058 -0.175 -8.814 342 HB2 LYS 47 HB2 LYS 47 -2.405 0.736 -7.326 343 HB3 LYS 47 HB3 LYS 47 -1.222 1.823 -8.009 344 HG2 LYS 47 HG2 LYS 47 -1.747 1.026 -10.256 345 HG3 LYS 47 HG3 LYS 47 -2.918 -0.106 -9.577 346 HD2 LYS 47 HD2 LYS 47 -4.270 1.724 -8.742 347 HD3 LYS 47 HD3 LYS 47 -3.070 2.897 -9.281 348 HE2 LYS 47 HE2 LYS 47 -4.784 2.941 -10.883 349 HE3 LYS 47 HE3 LYS 47 -3.467 2.037 -11.628 350 HZ1 LYS 47 HZ1 LYS 47 -5.897 0.878 -10.363 351 HZ2 LYS 47 HZ2 LYS 47 -4.632 -0.020 -11.037 352 HZ3 LYS 47 HZ3 LYS 47 -5.589 0.963 -12.025 353 H LEU 48 H LEU 48 0.779 1.821 -7.475 354 HA LEU 48 HA LEU 48 1.140 1.340 -4.624 355 HB2 LEU 48 HB2 LEU 48 3.100 0.192 -5.778 356 HB3 LEU 48 HB3 LEU 48 3.584 1.745 -6.408 357 HG LEU 48 HG LEU 48 3.350 1.238 -3.460 358 HD11 LEU 48 HD11 LEU 48 5.299 0.142 -5.267 359 HD12 LEU 48 HD12 LEU 48 5.156 -0.056 -3.523 360 HD13 LEU 48 HD13 LEU 48 6.054 1.314 -4.187 361 HD21 LEU 48 HD21 LEU 48 3.369 3.553 -4.260 362 HD22 LEU 48 HD22 LEU 48 4.915 3.233 -5.057 363 HD23 LEU 48 HD23 LEU 48 4.785 3.131 -3.304 364 H GLN 49 H GLN 49 1.089 3.319 -3.555 365 HA GLN 49 HA GLN 49 1.465 5.747 -5.191 366 HB2 GLN 49 HB2 GLN 49 -0.934 4.886 -3.694 367 HB3 GLN 49 HB3 GLN 49 -0.450 6.540 -3.403 368 HG2 GLN 49 HG2 GLN 49 -0.637 7.099 -5.713 369 HG3 GLN 49 HG3 GLN 49 -0.888 5.416 -6.163 370 HE21 GLN 49 HE21 GLN 49 -2.588 7.450 -6.941 371 HE22 GLN 49 HE22 GLN 49 -4.121 7.250 -6.168 372 H ALA 50 H ALA 50 3.082 6.932 -4.426 373 HA ALA 50 HA ALA 50 3.708 6.861 -1.544 374 HB1 ALA 50 HB1 ALA 50 5.572 7.385 -3.850 375 HB2 ALA 50 HB2 ALA 50 5.395 5.845 -3.008 376 HB3 ALA 50 HB3 ALA 50 6.022 7.250 -2.149 377 H THR 51 H THR 51 4.652 8.780 -0.573 378 HA THR 51 HA THR 51 3.197 11.175 -1.217 379 HB THR 51 HB THR 51 3.552 10.701 1.116 380 HG1 THR 51 HG1 THR 51 3.760 12.776 1.444 381 HG21 THR 51 HG21 THR 51 5.909 10.915 2.062 382 HG22 THR 51 HG22 THR 51 6.494 10.739 0.412 383 HG23 THR 51 HG23 THR 51 5.569 9.435 1.164 384 HA PRO 52 HA PRO 52 6.333 13.024 -4.008 385 HB2 PRO 52 HB2 PRO 52 4.869 15.498 -3.275 386 HB3 PRO 52 HB3 PRO 52 5.286 14.875 -4.871 387 HG2 PRO 52 HG2 PRO 52 2.835 14.713 -3.959 388 HG3 PRO 52 HG3 PRO 52 3.455 13.516 -4.880 389 HD2 PRO 52 HD2 PRO 52 3.011 13.480 -2.036 390 HD3 PRO 52 HD3 PRO 52 2.893 12.226 -3.075 391 H ALA 53 H ALA 53 7.982 14.687 -3.840 392 HA ALA 53 HA ALA 53 9.105 14.934 -1.216 393 HB1 ALA 53 HB1 ALA 53 10.493 14.613 -3.215 394 HB2 ALA 53 HB2 ALA 53 10.952 16.063 -2.321 395 HB3 ALA 53 HB3 ALA 53 10.002 16.202 -3.802 396 H SER 54 H SER 54 6.825 16.750 -2.881 397 HA SER 54 HA SER 54 7.349 19.219 -1.404 398 HB2 SER 54 HB2 SER 54 5.479 20.141 -2.708 399 HB3 SER 54 HB3 SER 54 6.694 19.427 -3.765 400 HG SER 54 HG SER 54 4.824 18.622 -4.515 401 H SER 55 H SER 55 5.529 16.353 -1.187 402 HA SER 55 HA SER 55 3.301 17.242 0.312 403 HB2 SER 55 HB2 SER 55 3.203 15.189 -0.917 404 HB3 SER 55 HB3 SER 55 4.516 14.501 0.035 405 HG SER 55 HG SER 55 1.974 15.309 1.009 406 H GLU 56 H GLU 56 2.904 17.352 2.434 407 HA GLU 56 HA GLU 56 4.949 17.692 4.351 408 HB2 GLU 56 HB2 GLU 56 1.993 17.242 4.623 409 HB3 GLU 56 HB3 GLU 56 3.028 17.601 5.992 410 HG2 GLU 56 HG2 GLU 56 3.584 19.752 5.044 411 HG3 GLU 56 HG3 GLU 56 2.667 19.375 3.589 412 H LYS 57 H LYS 57 3.506 14.922 3.111 413 HA LYS 57 HA LYS 57 3.730 13.310 5.507 414 HB2 LYS 57 HB2 LYS 57 2.612 12.700 2.792 415 HB3 LYS 57 HB3 LYS 57 2.518 11.670 4.185 416 HG2 LYS 57 HG2 LYS 57 1.269 14.368 3.949 417 HG3 LYS 57 HG3 LYS 57 0.432 12.849 3.736 418 HD2 LYS 57 HD2 LYS 57 1.075 12.268 6.069 419 HD3 LYS 57 HD3 LYS 57 1.657 13.928 6.249 420 HE2 LYS 57 HE2 LYS 57 -0.552 14.737 5.551 421 HE3 LYS 57 HE3 LYS 57 -1.137 13.073 5.520 422 HZ1 LYS 57 HZ1 LYS 57 -0.092 14.479 7.923 423 HZ2 LYS 57 HZ2 LYS 57 -0.661 12.886 7.882 424 HZ3 LYS 57 HZ3 LYS 57 -1.723 14.171 7.595 425 H MET 58 H MET 58 4.820 11.363 5.601 426 HA MET 58 HA MET 58 6.567 10.663 3.339 427 HB2 MET 58 HB2 MET 58 7.204 10.474 6.292 428 HB3 MET 58 HB3 MET 58 8.163 9.723 5.042 429 HG2 MET 58 HG2 MET 58 8.660 11.898 4.074 430 HG3 MET 58 HG3 MET 58 7.656 12.681 5.289 431 HE1 MET 58 HE1 MET 58 8.151 11.599 7.952 432 HE2 MET 58 HE2 MET 58 8.538 13.309 7.760 433 HE3 MET 58 HE3 MET 58 9.675 12.235 8.576 434 H MET 59 H MET 59 5.392 9.058 2.455 435 HA MET 59 HA MET 59 4.840 6.654 3.944 436 HB2 MET 59 HB2 MET 59 2.452 6.629 3.497 437 HB3 MET 59 HB3 MET 59 2.866 8.023 4.455 438 HG2 MET 59 HG2 MET 59 2.820 9.374 2.417 439 HG3 MET 59 HG3 MET 59 2.293 7.984 1.496 440 HE1 MET 59 HE1 MET 59 -0.451 9.550 4.918 441 HE2 MET 59 HE2 MET 59 1.101 10.357 4.647 442 HE3 MET 59 HE3 MET 59 1.060 8.665 5.140 443 H LEU 60 H LEU 60 4.120 4.895 2.652 444 HA LEU 60 HA LEU 60 4.205 5.214 -0.258 445 HB2 LEU 60 HB2 LEU 60 6.466 4.566 0.413 446 HB3 LEU 60 HB3 LEU 60 5.832 3.230 1.344 447 HG LEU 60 HG LEU 60 4.908 2.765 -1.242 448 HD11 LEU 60 HD11 LEU 60 7.795 3.560 -1.349 449 HD12 LEU 60 HD12 LEU 60 6.451 4.497 -2.010 450 HD13 LEU 60 HD13 LEU 60 6.804 2.898 -2.659 451 HD21 LEU 60 HD21 LEU 60 5.679 1.030 0.257 452 HD22 LEU 60 HD22 LEU 60 7.329 1.652 0.153 453 HD23 LEU 60 HD23 LEU 60 6.553 0.955 -1.279 454 H ARG 61 H ARG 61 2.363 4.338 -1.026 455 HA ARG 61 HA ARG 61 1.018 2.327 0.628 456 HB2 ARG 61 HB2 ARG 61 -0.168 4.093 -1.515 457 HB3 ARG 61 HB3 ARG 61 -1.060 2.934 -0.552 458 HG2 ARG 61 HG2 ARG 61 -0.545 4.171 1.458 459 HG3 ARG 61 HG3 ARG 61 0.395 5.324 0.530 460 HD2 ARG 61 HD2 ARG 61 -1.675 6.373 0.870 461 HD3 ARG 61 HD3 ARG 61 -1.768 5.747 -0.775 462 HE ARG 61 HE ARG 61 -3.393 4.261 -0.087 463 HH11 ARG 61 HH11 ARG 61 -2.037 5.860 2.736 464 HH12 ARG 61 HH12 ARG 61 -3.243 5.239 3.812 465 HH21 ARG 61 HH21 ARG 61 -4.959 3.447 1.357 466 HH22 ARG 61 HH22 ARG 61 -4.894 3.882 3.032 467 H LEU 62 H LEU 62 0.155 0.484 -0.200 468 HA LEU 62 HA LEU 62 1.087 -0.377 -2.857 469 HB2 LEU 62 HB2 LEU 62 1.413 -1.615 -0.171 470 HB3 LEU 62 HB3 LEU 62 1.115 -2.683 -1.519 471 HG LEU 62 HG LEU 62 3.458 -2.655 -1.071 472 HD11 LEU 62 HD11 LEU 62 2.789 -2.750 -3.397 473 HD12 LEU 62 HD12 LEU 62 4.355 -1.964 -3.200 474 HD13 LEU 62 HD13 LEU 62 2.913 -0.995 -3.509 475 HD21 LEU 62 HD21 LEU 62 4.860 -0.710 -1.086 476 HD22 LEU 62 HD22 LEU 62 3.574 -0.470 0.102 477 HD23 LEU 62 HD23 LEU 62 3.488 0.332 -1.462 478 H ILE 63 H ILE 63 -0.701 -0.600 -4.043 479 HA ILE 63 HA ILE 63 -3.285 -1.095 -2.799 480 HB ILE 63 HB ILE 63 -2.701 -0.637 -5.728 481 HG12 ILE 63 HG12 ILE 63 -3.235 1.418 -3.584 482 HG13 ILE 63 HG13 ILE 63 -1.872 1.358 -4.670 483 HG21 ILE 63 HG21 ILE 63 -5.026 0.145 -5.865 484 HG22 ILE 63 HG22 ILE 63 -5.242 -0.251 -4.159 485 HG23 ILE 63 HG23 ILE 63 -4.917 -1.533 -5.327 486 HD11 ILE 63 HD11 ILE 63 -3.398 1.897 -6.540 487 HD12 ILE 63 HD12 ILE 63 -3.299 3.147 -5.306 488 HD13 ILE 63 HD13 ILE 63 -4.701 2.075 -5.362 489 H GLY 64 H GLY 64 -4.330 -2.984 -2.808 490 HA2 GLY 64 HA2 GLY 64 -3.079 -5.331 -3.942 491 HA3 GLY 64 HA3 GLY 64 -4.480 -5.300 -2.888 492 H LYS 65 H LYS 65 -4.252 -6.940 -5.130 493 HA LYS 65 HA LYS 65 -5.618 -5.772 -7.374 494 HB2 LYS 65 HB2 LYS 65 -3.915 -7.504 -7.670 495 HB3 LYS 65 HB3 LYS 65 -4.940 -8.651 -6.824 496 HG2 LYS 65 HG2 LYS 65 -6.618 -8.474 -8.508 497 HG3 LYS 65 HG3 LYS 65 -5.662 -7.262 -9.369 498 HD2 LYS 65 HD2 LYS 65 -3.891 -8.890 -9.687 499 HD3 LYS 65 HD3 LYS 65 -4.824 -10.102 -8.824 500 HE2 LYS 65 HE2 LYS 65 -6.599 -9.867 -10.500 501 HE3 LYS 65 HE3 LYS 65 -5.612 -8.695 -11.345 502 HZ1 LYS 65 HZ1 LYS 65 -3.951 -10.396 -11.738 503 HZ2 LYS 65 HZ2 LYS 65 -5.449 -10.892 -12.353 504 HZ3 LYS 65 HZ3 LYS 65 -4.878 -11.535 -10.895 505 H VAL 66 H VAL 66 -7.666 -5.460 -7.504 506 HA VAL 66 HA VAL 66 -9.552 -7.340 -6.266 507 HB VAL 66 HB VAL 66 -9.554 -4.345 -6.264 508 HG11 VAL 66 HG11 VAL 66 -12.067 -5.903 -5.705 509 HG12 VAL 66 HG12 VAL 66 -11.781 -4.957 -7.165 510 HG13 VAL 66 HG13 VAL 66 -11.839 -4.151 -5.594 511 HG21 VAL 66 HG21 VAL 66 -9.907 -6.508 -4.231 512 HG22 VAL 66 HG22 VAL 66 -10.349 -4.843 -3.892 513 HG23 VAL 66 HG23 VAL 66 -8.678 -5.242 -4.301 514 H ASP 67 H ASP 67 -11.289 -7.965 -7.422 515 HA ASP 67 HA ASP 67 -11.322 -7.320 -10.277 516 HB2 ASP 67 HB2 ASP 67 -11.276 -9.712 -9.632 517 HB3 ASP 67 HB3 ASP 67 -12.786 -9.495 -8.760 518 H GLU 68 H GLU 68 -12.366 -5.380 -10.405 519 HA GLU 68 HA GLU 68 -14.475 -4.592 -8.689 520 HB2 GLU 68 HB2 GLU 68 -13.445 -3.398 -11.260 521 HB3 GLU 68 HB3 GLU 68 -14.674 -2.636 -10.260 522 HG2 GLU 68 HG2 GLU 68 -13.093 -2.544 -8.389 523 HG3 GLU 68 HG3 GLU 68 -11.855 -3.296 -9.398 524 H SER 69 H SER 69 -14.652 -6.768 -11.170 525 HA SER 69 HA SER 69 -17.279 -6.096 -12.165 526 HB2 SER 69 HB2 SER 69 -17.108 -8.050 -13.510 527 HB3 SER 69 HB3 SER 69 -15.483 -7.366 -13.459 528 HG SER 69 HG SER 69 -15.366 -8.923 -11.505 529 H LYS 70 H LYS 70 -16.334 -7.121 -9.229 530 HA LYS 70 HA LYS 70 -18.455 -9.065 -8.741 531 HB2 LYS 70 HB2 LYS 70 -16.170 -8.010 -7.091 532 HB3 LYS 70 HB3 LYS 70 -17.474 -8.924 -6.350 533 HG2 LYS 70 HG2 LYS 70 -16.985 -10.812 -7.845 534 HG3 LYS 70 HG3 LYS 70 -15.665 -9.897 -8.559 535 HD2 LYS 70 HD2 LYS 70 -14.524 -9.846 -6.381 536 HD3 LYS 70 HD3 LYS 70 -15.860 -10.737 -5.657 537 HE2 LYS 70 HE2 LYS 70 -15.367 -12.679 -6.974 538 HE3 LYS 70 HE3 LYS 70 -14.175 -11.794 -7.926 539 HZ1 LYS 70 HZ1 LYS 70 -13.112 -13.182 -6.264 540 HZ2 LYS 70 HZ2 LYS 70 -13.964 -12.407 -5.025 541 HZ3 LYS 70 HZ3 LYS 70 -12.824 -11.548 -5.933 542 H LYS 71 H LYS 71 -19.039 -6.276 -9.433 543 HA LYS 71 HA LYS 71 -19.729 -4.527 -7.457 544 HB2 LYS 71 HB2 LYS 71 -20.914 -5.102 -10.140 545 HB3 LYS 71 HB3 LYS 71 -21.756 -3.995 -9.067 546 HG2 LYS 71 HG2 LYS 71 -20.329 -2.343 -9.451 547 HG3 LYS 71 HG3 LYS 71 -18.926 -3.389 -9.291 548 HD2 LYS 71 HD2 LYS 71 -19.282 -4.207 -11.561 549 HD3 LYS 71 HD3 LYS 71 -20.678 -3.135 -11.742 550 HE2 LYS 71 HE2 LYS 71 -18.931 -1.314 -11.047 551 HE3 LYS 71 HE3 LYS 71 -17.766 -2.497 -11.630 552 HZ1 LYS 71 HZ1 LYS 71 -18.395 -0.962 -13.381 553 HZ2 LYS 71 HZ2 LYS 71 -20.026 -1.370 -13.198 554 HZ3 LYS 71 HZ3 LYS 71 -18.923 -2.525 -13.758 555 H ARG 72 H ARG 72 -20.965 -4.586 -5.728 556 HA ARG 72 HA ARG 72 -23.037 -6.664 -5.512 557 HB2 ARG 72 HB2 ARG 72 -21.248 -6.932 -3.924 558 HB3 ARG 72 HB3 ARG 72 -21.331 -5.243 -3.467 559 HG2 ARG 72 HG2 ARG 72 -23.378 -5.559 -2.301 560 HG3 ARG 72 HG3 ARG 72 -23.580 -7.179 -2.973 561 HD2 ARG 72 HD2 ARG 72 -22.820 -7.309 -0.668 562 HD3 ARG 72 HD3 ARG 72 -21.579 -7.924 -1.759 563 HE ARG 72 HE ARG 72 -20.231 -6.103 -1.240 564 HH11 ARG 72 HH11 ARG 72 -23.346 -5.736 0.350 565 HH12 ARG 72 HH12 ARG 72 -22.786 -4.475 1.398 566 HH21 ARG 72 HH21 ARG 72 -19.526 -4.458 0.139 567 HH22 ARG 72 HH22 ARG 72 -20.625 -3.752 1.278 568 H LYS 73 H LYS 73 -25.043 -6.135 -4.454 569 HA LYS 73 HA LYS 73 -25.667 -3.260 -4.291 570 HB2 LYS 73 HB2 LYS 73 -27.442 -5.446 -5.403 571 HB3 LYS 73 HB3 LYS 73 -27.988 -3.817 -5.047 572 HG2 LYS 73 HG2 LYS 73 -26.348 -2.938 -6.653 573 HG3 LYS 73 HG3 LYS 73 -25.903 -4.593 -7.050 574 HD2 LYS 73 HD2 LYS 73 -28.218 -5.025 -7.746 575 HD3 LYS 73 HD3 LYS 73 -28.617 -3.340 -7.406 576 HE2 LYS 73 HE2 LYS 73 -27.035 -2.592 -9.072 577 HE3 LYS 73 HE3 LYS 73 -26.523 -4.252 -9.373 578 HZ1 LYS 73 HZ1 LYS 73 -29.241 -3.168 -9.883 579 HZ2 LYS 73 HZ2 LYS 73 -28.746 -4.760 -10.171 580 HZ3 LYS 73 HZ3 LYS 73 -28.070 -3.492 -11.061 581 H ASP 74 H ASP 74 -27.006 -2.629 -2.630 582 HA ASP 74 HA ASP 74 -27.075 -4.428 -0.363 583 HB2 ASP 74 HB2 ASP 74 -27.645 -2.449 0.960 584 HB3 ASP 74 HB3 ASP 74 -26.255 -2.130 -0.062 585 H ASN 75 H ASN 75 -29.273 -3.611 1.111 586 HA ASN 75 HA ASN 75 -31.267 -5.339 0.196 587 HB2 ASN 75 HB2 ASN 75 -31.292 -3.171 2.283 588 HB3 ASN 75 HB3 ASN 75 -32.704 -4.173 1.970 589 HD21 ASN 75 HD21 ASN 75 -31.396 -4.048 4.426 590 HD22 ASN 75 HD22 ASN 75 -30.690 -5.587 4.762 591 H GLU 76 H GLU 76 -30.904 -1.900 -0.363 592 HA GLU 76 HA GLU 76 -33.634 -1.614 -1.325 593 HB2 GLU 76 HB2 GLU 76 -31.380 0.379 -1.075 594 HB3 GLU 76 HB3 GLU 76 -32.983 0.779 -1.674 595 HG2 GLU 76 HG2 GLU 76 -33.947 0.125 0.482 596 HG3 GLU 76 HG3 GLU 76 -32.337 -0.274 1.075 597 H GLY 77 H GLY 77 -30.533 -2.285 -2.634 598 HA2 GLY 77 HA2 GLY 77 -30.316 -3.160 -4.838 599 HA3 GLY 77 HA3 GLY 77 -31.666 -2.167 -5.341 600 H ASN 78 H ASN 78 -29.426 -0.492 -3.397 601 HA ASN 78 HA ASN 78 -28.438 1.035 -5.654 602 HB2 ASN 78 HB2 ASN 78 -27.899 1.284 -2.682 603 HB3 ASN 78 HB3 ASN 78 -27.271 2.387 -3.903 604 HD21 ASN 78 HD21 ASN 78 -29.664 1.906 -1.708 605 HD22 ASN 78 HD22 ASN 78 -30.857 2.988 -2.334 606 H GLU 79 H GLU 79 -26.225 1.281 -6.205 607 HA GLU 79 HA GLU 79 -24.839 -1.225 -6.167 608 HB2 GLU 79 HB2 GLU 79 -23.135 0.058 -7.539 609 HB3 GLU 79 HB3 GLU 79 -24.758 -0.029 -8.202 610 HG2 GLU 79 HG2 GLU 79 -23.714 2.305 -6.653 611 HG3 GLU 79 HG3 GLU 79 -23.618 2.186 -8.404 612 H VAL 80 H VAL 80 -23.660 -1.882 -4.540 613 HA VAL 80 HA VAL 80 -21.932 0.051 -3.146 614 HB VAL 80 HB VAL 80 -23.028 -2.536 -2.002 615 HG11 VAL 80 HG11 VAL 80 -21.969 -1.826 0.091 616 HG12 VAL 80 HG12 VAL 80 -21.277 -0.433 -0.738 617 HG13 VAL 80 HG13 VAL 80 -20.783 -2.063 -1.192 618 HG21 VAL 80 HG21 VAL 80 -24.336 -1.212 -0.486 619 HG22 VAL 80 HG22 VAL 80 -24.701 -0.700 -2.135 620 HG23 VAL 80 HG23 VAL 80 -23.642 0.278 -1.120 621 H VAL 81 H VAL 81 -20.039 -0.073 -4.106 622 HA VAL 81 HA VAL 81 -19.183 -2.623 -5.194 623 HB VAL 81 HB VAL 81 -18.149 0.148 -5.756 624 HG11 VAL 81 HG11 VAL 81 -17.345 -2.450 -7.051 625 HG12 VAL 81 HG12 VAL 81 -16.326 -1.379 -6.085 626 HG13 VAL 81 HG13 VAL 81 -16.921 -0.848 -7.659 627 HG21 VAL 81 HG21 VAL 81 -19.176 -0.115 -7.979 628 HG22 VAL 81 HG22 VAL 81 -20.360 -0.149 -6.673 629 HG23 VAL 81 HG23 VAL 81 -19.868 -1.651 -7.455 630 HA PRO 82 HA PRO 82 -16.184 -3.107 -1.840 631 HB2 PRO 82 HB2 PRO 82 -14.851 -5.254 -2.852 632 HB3 PRO 82 HB3 PRO 82 -16.427 -5.394 -2.067 633 HG2 PRO 82 HG2 PRO 82 -15.836 -5.277 -4.933 634 HG3 PRO 82 HG3 PRO 82 -16.874 -6.267 -4.153 635 HD2 PRO 82 HD2 PRO 82 -17.732 -4.208 -5.392 636 HD3 PRO 82 HD3 PRO 82 -18.449 -4.702 -4.010 637 H LYS 83 H LYS 83 -14.386 -2.045 -1.532 638 HA LYS 83 HA LYS 83 -12.883 -1.092 -3.847 639 HB2 LYS 83 HB2 LYS 83 -12.900 -0.149 -0.992 640 HB3 LYS 83 HB3 LYS 83 -11.861 0.525 -2.219 641 HG2 LYS 83 HG2 LYS 83 -13.802 1.308 -3.473 642 HG3 LYS 83 HG3 LYS 83 -14.877 0.574 -2.292 643 HD2 LYS 83 HD2 LYS 83 -14.050 2.093 -0.585 644 HD3 LYS 83 HD3 LYS 83 -12.914 2.803 -1.731 645 HE2 LYS 83 HE2 LYS 83 -14.792 3.596 -3.091 646 HE3 LYS 83 HE3 LYS 83 -15.929 2.860 -1.965 647 HZ1 LYS 83 HZ1 LYS 83 -15.687 5.228 -1.559 648 HZ2 LYS 83 HZ2 LYS 83 -14.025 5.043 -1.306 649 HZ3 LYS 83 HZ3 LYS 83 -15.128 4.338 -0.233 650 HA PRO 84 HA PRO 84 -9.274 -3.553 -2.916 651 HB2 PRO 84 HB2 PRO 84 -7.266 -2.077 -3.939 652 HB3 PRO 84 HB3 PRO 84 -8.384 -2.981 -4.956 653 HG2 PRO 84 HG2 PRO 84 -8.368 -0.119 -4.357 654 HG3 PRO 84 HG3 PRO 84 -8.658 -0.859 -5.784 655 HD2 PRO 84 HD2 PRO 84 -10.737 -0.061 -4.222 656 HD3 PRO 84 HD3 PRO 84 -10.899 -1.365 -5.192 657 H GLN 85 H GLN 85 -7.642 -3.793 -1.510 658 HA GLN 85 HA GLN 85 -7.463 -1.792 0.604 659 HB2 GLN 85 HB2 GLN 85 -6.483 -4.652 0.523 660 HB3 GLN 85 HB3 GLN 85 -6.362 -3.586 1.915 661 HG2 GLN 85 HG2 GLN 85 -8.910 -4.553 0.633 662 HG3 GLN 85 HG3 GLN 85 -8.224 -5.124 2.146 663 HE21 GLN 85 HE21 GLN 85 -10.742 -3.492 1.145 664 HE22 GLN 85 HE22 GLN 85 -10.883 -2.274 2.362 665 H ARG 86 H ARG 86 -5.667 -0.733 1.173 666 HA ARG 86 HA ARG 86 -3.307 -1.047 -0.588 667 HB2 ARG 86 HB2 ARG 86 -4.460 1.450 0.681 668 HB3 ARG 86 HB3 ARG 86 -2.906 1.393 -0.132 669 HG2 ARG 86 HG2 ARG 86 -4.019 0.791 -2.222 670 HG3 ARG 86 HG3 ARG 86 -5.576 0.820 -1.404 671 HD2 ARG 86 HD2 ARG 86 -5.275 3.184 -0.881 672 HD3 ARG 86 HD3 ARG 86 -3.708 3.173 -1.685 673 HE ARG 86 HE ARG 86 -5.602 2.277 -3.521 674 HH11 ARG 86 HH11 ARG 86 -4.874 5.255 -1.801 675 HH12 ARG 86 HH12 ARG 86 -5.547 6.266 -3.036 676 HH21 ARG 86 HH21 ARG 86 -6.477 3.622 -5.122 677 HH22 ARG 86 HH22 ARG 86 -6.455 5.342 -4.912 678 H HIS 87 H HIS 87 -1.296 -1.144 0.365 679 HA HIS 87 HA HIS 87 -1.206 -1.188 3.307 680 HB2 HIS 87 HB2 HIS 87 0.703 -2.429 1.303 681 HB3 HIS 87 HB3 HIS 87 0.852 -2.548 3.047 682 HD1 HIS 87 HD1 HIS 87 -1.442 -3.714 4.171 683 HD2 HIS 87 HD2 HIS 87 -0.496 -4.578 0.218 684 HE1 HIS 87 HE1 HIS 87 -2.629 -5.868 3.651 685 HE2 HIS 87 HE2 HIS 87 -1.971 -6.416 1.283 686 H MET 88 H MET 88 -0.461 0.619 4.203 687 HA MET 88 HA MET 88 1.303 2.394 2.661 688 HB2 MET 88 HB2 MET 88 -0.796 3.376 3.490 689 HB3 MET 88 HB3 MET 88 -0.367 2.922 5.117 690 HG2 MET 88 HG2 MET 88 1.537 4.471 5.076 691 HG3 MET 88 HG3 MET 88 1.100 4.919 3.445 692 HE1 MET 88 HE1 MET 88 -0.226 6.994 7.062 693 HE2 MET 88 HE2 MET 88 1.337 6.805 6.266 694 HE3 MET 88 HE3 MET 88 0.599 5.438 7.103 695 H PHE 89 H PHE 89 3.286 2.967 3.309 696 HA PHE 89 HA PHE 89 4.235 2.125 5.969 697 HB2 PHE 89 HB2 PHE 89 5.783 1.919 3.378 698 HB3 PHE 89 HB3 PHE 89 6.463 1.658 4.968 699 HD1 PHE 89 HD1 PHE 89 4.392 0.277 2.322 700 HD2 PHE 89 HD2 PHE 89 5.986 -0.369 6.206 701 HE1 PHE 89 HE1 PHE 89 3.818 -2.099 2.137 702 HE2 PHE 89 HE2 PHE 89 5.407 -2.755 6.049 703 HZ PHE 89 HZ PHE 89 4.324 -3.626 4.015 704 H SER 90 H SER 90 5.079 3.795 7.084 705 HA SER 90 HA SER 90 5.491 6.347 5.795 706 HB2 SER 90 HB2 SER 90 4.471 6.463 7.890 707 HB3 SER 90 HB3 SER 90 5.678 5.453 8.662 708 HG SER 90 HG SER 90 5.676 8.145 8.162 709 H PHE 91 H PHE 91 7.334 7.379 5.435 710 HA PHE 91 HA PHE 91 9.812 5.802 5.698 711 HB2 PHE 91 HB2 PHE 91 8.604 7.259 3.417 712 HB3 PHE 91 HB3 PHE 91 10.349 7.339 3.558 713 HD1 PHE 91 HD1 PHE 91 7.733 5.577 2.111 714 HD2 PHE 91 HD2 PHE 91 11.459 4.954 4.082 715 HE1 PHE 91 HE1 PHE 91 7.950 3.371 1.036 716 HE2 PHE 91 HE2 PHE 91 11.670 2.748 3.008 717 HZ PHE 91 HZ PHE 91 9.906 1.965 1.475 718 H ASN 92 H ASN 92 11.783 7.308 5.218 719 HA ASN 92 HA ASN 92 11.482 9.701 6.891 720 HB2 ASN 92 HB2 ASN 92 13.807 7.755 6.889 721 HB3 ASN 92 HB3 ASN 92 13.719 9.231 7.836 722 HD21 ASN 92 HD21 ASN 92 13.138 5.951 7.821 723 HD22 ASN 92 HD22 ASN 92 12.168 5.852 9.246 724 H ASN 93 H ASN 93 12.556 8.415 3.912 725 HA ASN 93 HA ASN 93 13.516 11.019 3.049 726 HB2 ASN 93 HB2 ASN 93 15.560 9.753 3.877 727 HB3 ASN 93 HB3 ASN 93 15.274 8.593 2.588 728 HD21 ASN 93 HD21 ASN 93 17.644 9.948 2.778 729 HD22 ASN 93 HD22 ASN 93 17.783 11.066 1.469 730 H ARG 94 H ARG 94 12.845 11.437 1.031 731 HA ARG 94 HA ARG 94 11.179 9.719 -0.428 732 HB2 ARG 94 HB2 ARG 94 12.546 12.298 -1.130 733 HB3 ARG 94 HB3 ARG 94 11.612 11.412 -2.328 734 HG2 ARG 94 HG2 ARG 94 10.209 13.087 -1.377 735 HG3 ARG 94 HG3 ARG 94 9.653 11.522 -0.795 736 HD2 ARG 94 HD2 ARG 94 10.723 11.881 1.329 737 HD3 ARG 94 HD3 ARG 94 11.469 13.364 0.747 738 HE ARG 94 HE ARG 94 8.653 13.530 0.524 739 HH11 ARG 94 HH11 ARG 94 11.188 13.688 2.954 740 HH12 ARG 94 HH12 ARG 94 10.257 14.683 4.022 741 HH21 ARG 94 HH21 ARG 94 7.458 14.832 1.938 742 HH22 ARG 94 HH22 ARG 94 8.148 15.327 3.449 743 H THR 95 H THR 95 14.615 9.856 -0.391 744 HA THR 95 HA THR 95 15.065 8.910 -3.063 745 HB THR 95 HB THR 95 17.417 8.528 -2.286 746 HG1 THR 95 HG1 THR 95 17.796 9.462 -0.087 747 HG21 THR 95 HG21 THR 95 16.274 11.227 -1.524 748 HG22 THR 95 HG22 THR 95 16.779 10.743 -3.143 749 HG23 THR 95 HG23 THR 95 17.973 10.883 -1.851 750 H VAL 96 H VAL 96 14.554 7.384 0.067 751 HA VAL 96 HA VAL 96 15.280 4.731 -0.827 752 HB VAL 96 HB VAL 96 13.764 5.605 1.658 753 HG11 VAL 96 HG11 VAL 96 14.050 3.374 2.525 754 HG12 VAL 96 HG12 VAL 96 14.938 2.885 1.082 755 HG13 VAL 96 HG13 VAL 96 13.225 3.276 0.971 756 HG21 VAL 96 HG21 VAL 96 16.111 6.343 1.606 757 HG22 VAL 96 HG22 VAL 96 16.620 4.670 1.377 758 HG23 VAL 96 HG23 VAL 96 15.818 5.151 2.873 759 H MET 97 H MET 97 12.151 6.143 0.219 760 HA MET 97 HA MET 97 10.380 4.233 -0.623 761 HB2 MET 97 HB2 MET 97 8.722 5.994 -0.709 762 HB3 MET 97 HB3 MET 97 9.752 6.237 0.677 763 HG2 MET 97 HG2 MET 97 10.852 8.029 -0.487 764 HG3 MET 97 HG3 MET 97 9.947 7.645 -1.938 765 HE1 MET 97 HE1 MET 97 8.958 8.080 1.884 766 HE2 MET 97 HE2 MET 97 8.261 9.701 1.815 767 HE3 MET 97 HE3 MET 97 9.967 9.460 1.457 768 H ASP 98 H ASP 98 11.962 6.638 -2.690 769 HA ASP 98 HA ASP 98 10.404 5.920 -5.016 770 HB2 ASP 98 HB2 ASP 98 12.830 7.667 -4.559 771 HB3 ASP 98 HB3 ASP 98 12.269 7.293 -6.183 772 H ASN 99 H ASN 99 13.351 4.802 -3.548 773 HA ASN 99 HA ASN 99 14.199 3.296 -5.886 774 HB2 ASN 99 HB2 ASN 99 15.329 3.993 -3.267 775 HB3 ASN 99 HB3 ASN 99 15.687 2.344 -3.751 776 HD21 ASN 99 HD21 ASN 99 16.923 5.298 -3.723 777 HD22 ASN 99 HD22 ASN 99 17.902 5.266 -5.146 778 H ILE 100 H ILE 100 12.503 2.668 -2.828 779 HA ILE 100 HA ILE 100 12.328 -0.171 -3.180 780 HB ILE 100 HB ILE 100 10.659 1.733 -1.502 781 HG12 ILE 100 HG12 ILE 100 12.926 1.461 -0.645 782 HG13 ILE 100 HG13 ILE 100 11.789 0.700 0.435 783 HG21 ILE 100 HG21 ILE 100 10.518 -1.262 -1.259 784 HG22 ILE 100 HG22 ILE 100 9.377 -0.323 -2.208 785 HG23 ILE 100 HG23 ILE 100 9.503 -0.052 -0.471 786 HD11 ILE 100 HD11 ILE 100 13.650 -0.670 -1.494 787 HD12 ILE 100 HD12 ILE 100 12.448 -1.491 -0.501 788 HD13 ILE 100 HD13 ILE 100 13.779 -0.623 0.264 789 H LYS 101 H LYS 101 9.959 2.476 -3.690 790 HA LYS 101 HA LYS 101 7.964 1.193 -5.072 791 HB2 LYS 101 HB2 LYS 101 7.798 3.505 -4.370 792 HB3 LYS 101 HB3 LYS 101 9.073 3.969 -5.488 793 HG2 LYS 101 HG2 LYS 101 7.648 3.421 -7.380 794 HG3 LYS 101 HG3 LYS 101 6.389 2.865 -6.280 795 HD2 LYS 101 HD2 LYS 101 6.162 5.131 -5.382 796 HD3 LYS 101 HD3 LYS 101 7.454 5.680 -6.445 797 HE2 LYS 101 HE2 LYS 101 6.047 5.018 -8.389 798 HE3 LYS 101 HE3 LYS 101 4.733 4.674 -7.263 799 HZ1 LYS 101 HZ1 LYS 101 4.518 6.880 -8.209 800 HZ2 LYS 101 HZ2 LYS 101 6.055 7.307 -7.648 801 HZ3 LYS 101 HZ3 LYS 101 4.812 6.989 -6.547 802 H MET 102 H MET 102 10.962 2.536 -6.421 803 HA MET 102 HA MET 102 10.587 2.021 -9.126 804 HB2 MET 102 HB2 MET 102 12.439 3.322 -8.202 805 HB3 MET 102 HB3 MET 102 13.121 1.888 -7.494 806 HG2 MET 102 HG2 MET 102 13.454 0.990 -9.795 807 HG3 MET 102 HG3 MET 102 12.882 2.540 -10.408 808 HE1 MET 102 HE1 MET 102 15.667 4.995 -9.098 809 HE2 MET 102 HE2 MET 102 14.109 4.603 -8.373 810 HE3 MET 102 HE3 MET 102 14.232 4.870 -10.112 811 H THR 103 H THR 103 12.175 -0.152 -6.739 812 HA THR 103 HA THR 103 12.490 -2.377 -8.413 813 HB THR 103 HB THR 103 11.933 -2.533 -5.439 814 HG1 THR 103 HG1 THR 103 14.362 -1.934 -6.802 815 HG21 THR 103 HG21 THR 103 13.676 -4.269 -7.205 816 HG22 THR 103 HG22 THR 103 12.061 -4.702 -6.644 817 HG23 THR 103 HG23 THR 103 13.371 -4.499 -5.480 818 H LEU 104 H LEU 104 9.941 -1.919 -5.945 819 HA LEU 104 HA LEU 104 8.173 -3.905 -6.424 820 HB2 LEU 104 HB2 LEU 104 7.922 -1.063 -5.574 821 HB3 LEU 104 HB3 LEU 104 6.427 -1.846 -6.022 822 HG LEU 104 HG LEU 104 6.275 -2.729 -3.994 823 HD11 LEU 104 HD11 LEU 104 8.357 -4.123 -3.150 824 HD12 LEU 104 HD12 LEU 104 8.824 -3.993 -4.847 825 HD13 LEU 104 HD13 LEU 104 7.290 -4.731 -4.404 826 HD21 LEU 104 HD21 LEU 104 7.726 -0.662 -3.435 827 HD22 LEU 104 HD22 LEU 104 9.003 -1.858 -3.166 828 HD23 LEU 104 HD23 LEU 104 7.514 -1.923 -2.226 829 H GLN 105 H GLN 105 7.933 -0.705 -7.942 830 HA GLN 105 HA GLN 105 5.937 -1.089 -9.792 831 HB2 GLN 105 HB2 GLN 105 7.041 1.067 -9.265 832 HB3 GLN 105 HB3 GLN 105 8.429 0.581 -10.213 833 HG2 GLN 105 HG2 GLN 105 7.054 2.066 -11.509 834 HG3 GLN 105 HG3 GLN 105 7.004 0.456 -12.214 835 HE21 GLN 105 HE21 GLN 105 5.079 0.071 -13.013 836 HE22 GLN 105 HE22 GLN 105 3.565 0.468 -12.283 837 H GLN 106 H GLN 106 9.275 -2.114 -10.097 838 HA GLN 106 HA GLN 106 9.041 -2.807 -12.898 839 HB2 GLN 106 HB2 GLN 106 11.224 -3.036 -10.836 840 HB3 GLN 106 HB3 GLN 106 11.369 -3.823 -12.397 841 HG2 GLN 106 HG2 GLN 106 11.093 -1.672 -13.509 842 HG3 GLN 106 HG3 GLN 106 10.993 -0.862 -11.961 843 HE21 GLN 106 HE21 GLN 106 13.191 -3.312 -11.587 844 HE22 GLN 106 HE22 GLN 106 14.643 -2.451 -11.950 845 H ILE 107 H ILE 107 8.523 -4.317 -9.860 846 HA ILE 107 HA ILE 107 8.628 -7.054 -10.834 847 HB ILE 107 HB ILE 107 7.748 -5.913 -8.149 848 HG12 ILE 107 HG12 ILE 107 10.297 -7.424 -8.757 849 HG13 ILE 107 HG13 ILE 107 10.197 -5.684 -8.881 850 HG21 ILE 107 HG21 ILE 107 7.804 -8.157 -7.274 851 HG22 ILE 107 HG22 ILE 107 8.279 -8.801 -8.846 852 HG23 ILE 107 HG23 ILE 107 6.683 -8.080 -8.634 853 HD11 ILE 107 HD11 ILE 107 11.219 -6.516 -6.772 854 HD12 ILE 107 HD12 ILE 107 9.644 -7.178 -6.337 855 HD13 ILE 107 HD13 ILE 107 9.839 -5.439 -6.548 856 H ILE 108 H ILE 108 6.097 -4.614 -10.161 857 HA ILE 108 HA ILE 108 3.949 -6.533 -10.429 858 HB ILE 108 HB ILE 108 3.825 -3.504 -10.328 859 HG12 ILE 108 HG12 ILE 108 2.651 -5.359 -8.310 860 HG13 ILE 108 HG13 ILE 108 4.376 -5.108 -8.290 861 HG21 ILE 108 HG21 ILE 108 1.956 -4.415 -11.668 862 HG22 ILE 108 HG22 ILE 108 1.389 -3.756 -10.133 863 HG23 ILE 108 HG23 ILE 108 1.547 -5.503 -10.338 864 HD11 ILE 108 HD11 ILE 108 4.077 -2.753 -7.928 865 HD12 ILE 108 HD12 ILE 108 3.189 -3.669 -6.713 866 HD13 ILE 108 HD13 ILE 108 2.330 -2.930 -8.062 867 H SER 109 H SER 109 5.287 -3.959 -12.483 868 HA SER 109 HA SER 109 3.708 -4.454 -14.779 869 HB2 SER 109 HB2 SER 109 5.473 -3.274 -16.022 870 HB3 SER 109 HB3 SER 109 5.087 -2.428 -14.523 871 HG SER 109 HG SER 109 7.434 -3.524 -15.337 872 H ARG 110 H ARG 110 6.412 -6.096 -13.398 873 HA ARG 110 HA ARG 110 7.139 -7.830 -15.483 874 HB2 ARG 110 HB2 ARG 110 8.533 -7.396 -13.549 875 HB3 ARG 110 HB3 ARG 110 7.288 -7.994 -12.463 876 HG2 ARG 110 HG2 ARG 110 9.075 -9.580 -12.720 877 HG3 ARG 110 HG3 ARG 110 7.559 -10.197 -13.362 878 HD2 ARG 110 HD2 ARG 110 8.334 -9.519 -15.634 879 HD3 ARG 110 HD3 ARG 110 9.891 -9.099 -14.919 880 HE ARG 110 HE ARG 110 10.416 -11.326 -14.818 881 HH11 ARG 110 HH11 ARG 110 6.971 -11.067 -15.462 882 HH12 ARG 110 HH12 ARG 110 6.781 -12.764 -15.746 883 HH21 ARG 110 HH21 ARG 110 10.141 -13.543 -15.193 884 HH22 ARG 110 HH22 ARG 110 8.574 -14.164 -15.592 885 H TYR 111 H TYR 111 4.748 -8.052 -12.873 886 HA TYR 111 HA TYR 111 3.696 -10.599 -13.817 887 HB2 TYR 111 HB2 TYR 111 2.951 -8.834 -11.494 888 HB3 TYR 111 HB3 TYR 111 2.092 -10.314 -11.906 889 HD1 TYR 111 HD1 TYR 111 4.709 -8.955 -9.994 890 HD2 TYR 111 HD2 TYR 111 3.623 -12.454 -12.164 891 HE1 TYR 111 HE1 TYR 111 6.367 -10.251 -8.730 892 HE2 TYR 111 HE2 TYR 111 5.280 -13.756 -10.907 893 HH TYR 111 HH TYR 111 7.352 -13.360 -9.660 894 H LYS 112 H LYS 112 3.275 -7.392 -14.602 895 HA LYS 112 HA LYS 112 0.439 -7.477 -15.221 896 HB2 LYS 112 HB2 LYS 112 1.543 -5.407 -14.421 897 HB3 LYS 112 HB3 LYS 112 2.540 -5.401 -15.870 898 HG2 LYS 112 HG2 LYS 112 0.541 -5.107 -17.244 899 HG3 LYS 112 HG3 LYS 112 -0.450 -5.142 -15.801 900 HD2 LYS 112 HD2 LYS 112 0.638 -3.098 -14.988 901 HD3 LYS 112 HD3 LYS 112 1.660 -3.072 -16.421 902 HE2 LYS 112 HE2 LYS 112 -1.356 -2.851 -16.470 903 HE3 LYS 112 HE3 LYS 112 -0.256 -1.478 -16.511 904 HZ1 LYS 112 HZ1 LYS 112 0.643 -2.275 -18.588 905 HZ2 LYS 112 HZ2 LYS 112 -1.034 -2.112 -18.723 906 HZ3 LYS 112 HZ3 LYS 112 -0.347 -3.646 -18.540 907 H ASP 113 H ASP 113 3.531 -7.810 -16.818 908 HA ASP 113 HA ASP 113 2.399 -8.034 -19.476 909 HB2 ASP 113 HB2 ASP 113 5.202 -8.240 -18.374 910 HB3 ASP 113 HB3 ASP 113 4.815 -8.485 -20.066 911 H ALA 114 H ALA 114 3.737 -10.096 -16.942 912 HA ALA 114 HA ALA 114 3.893 -12.322 -16.622 913 HB1 ALA 114 HB1 ALA 114 1.943 -13.649 -17.180 914 HB2 ALA 114 HB2 ALA 114 1.406 -12.418 -18.325 915 HB3 ALA 114 HB3 ALA 114 1.456 -12.054 -16.600 916 H ASP 115 H ASP 115 5.824 -12.631 -17.660 917 HA ASP 115 HA ASP 115 7.370 -13.304 -19.176 918 HB2 ASP 115 HB2 ASP 115 5.230 -15.421 -19.351 919 HB3 ASP 115 HB3 ASP 115 6.804 -15.595 -20.095 920 H1 GLY 519 H1 GLY 519 -3.162 -17.415 32.222 921 H2 GLY 519 H2 GLY 519 -2.680 -15.795 32.163 922 H3 GLY 519 H3 GLY 519 -1.736 -16.927 32.990 923 HA2 GLY 519 HA2 GLY 519 -0.721 -16.393 30.875 924 HA3 GLY 519 HA3 GLY 519 -1.229 -18.073 30.933 925 H SER 520 H SER 520 -2.703 -18.818 29.500 926 HA SER 520 HA SER 520 -3.769 -16.881 27.551 927 HB2 SER 520 HB2 SER 520 -2.129 -18.321 26.497 928 HB3 SER 520 HB3 SER 520 -2.921 -19.759 27.138 929 HG SER 520 HG SER 520 -4.341 -19.665 25.584 930 HA PRO 521 HA PRO 521 -7.783 -18.266 29.020 931 HB2 PRO 521 HB2 PRO 521 -9.339 -17.036 27.146 932 HB3 PRO 521 HB3 PRO 521 -8.580 -16.182 28.489 933 HG2 PRO 521 HG2 PRO 521 -7.718 -16.364 25.711 934 HG3 PRO 521 HG3 PRO 521 -7.681 -15.072 26.710 935 HD2 PRO 521 HD2 PRO 521 -5.592 -16.453 26.151 936 HD3 PRO 521 HD3 PRO 521 -5.757 -15.636 27.555 937 H GLY 522 H GLY 522 -6.590 -18.983 25.836 938 HA2 GLY 522 HA2 GLY 522 -7.223 -21.528 25.503 939 HA3 GLY 522 HA3 GLY 522 -8.799 -20.801 25.226 940 H TYR 523 H TYR 523 -8.759 -18.950 23.589 941 HA TYR 523 HA TYR 523 -7.083 -19.759 21.312 942 HB2 TYR 523 HB2 TYR 523 -9.489 -20.195 20.974 943 HB3 TYR 523 HB3 TYR 523 -9.837 -18.495 21.235 944 HD1 TYR 523 HD1 TYR 523 -8.170 -20.878 18.927 945 HD2 TYR 523 HD2 TYR 523 -9.691 -16.933 19.444 946 HE1 TYR 523 HE1 TYR 523 -7.902 -20.463 16.519 947 HE2 TYR 523 HE2 TYR 523 -9.430 -16.514 17.035 948 HH TYR 523 HH TYR 523 -8.116 -17.363 15.149 949 HA PRO 524 HA PRO 524 -5.309 -15.557 21.819 950 HB2 PRO 524 HB2 PRO 524 -3.774 -16.496 19.440 951 HB3 PRO 524 HB3 PRO 524 -3.192 -15.713 20.916 952 HG2 PRO 524 HG2 PRO 524 -2.809 -18.251 20.666 953 HG3 PRO 524 HG3 PRO 524 -3.370 -17.712 22.103 954 HD2 PRO 524 HD2 PRO 524 -5.019 -18.899 19.946 955 HD3 PRO 524 HD3 PRO 524 -5.068 -19.322 21.523 956 H ASN 525 H ASN 525 -5.754 -13.658 20.830 957 HA ASN 525 HA ASN 525 -7.095 -13.768 18.210 958 HB2 ASN 525 HB2 ASN 525 -7.636 -11.885 20.522 959 HB3 ASN 525 HB3 ASN 525 -8.367 -11.736 18.932 960 HD21 ASN 525 HD21 ASN 525 -8.762 -12.911 21.997 961 HD22 ASN 525 HD22 ASN 525 -10.040 -14.038 21.709 962 H GLY 526 H GLY 526 -6.559 -12.324 16.636 963 HA2 GLY 526 HA2 GLY 526 -4.105 -10.770 17.089 964 HA3 GLY 526 HA3 GLY 526 -4.717 -11.291 15.527 965 H LEU 527 H LEU 527 -3.889 -8.622 16.470 966 HA LEU 527 HA LEU 527 -6.419 -7.146 16.353 967 HB2 LEU 527 HB2 LEU 527 -3.667 -6.234 17.171 968 HB3 LEU 527 HB3 LEU 527 -5.065 -5.189 17.103 969 HG LEU 527 HG LEU 527 -4.719 -7.536 18.989 970 HD11 LEU 527 HD11 LEU 527 -3.195 -5.737 19.497 971 HD12 LEU 527 HD12 LEU 527 -4.463 -5.833 20.719 972 HD13 LEU 527 HD13 LEU 527 -4.522 -4.577 19.482 973 HD21 LEU 527 HD21 LEU 527 -6.683 -6.580 20.168 974 HD22 LEU 527 HD22 LEU 527 -7.059 -7.215 18.562 975 HD23 LEU 527 HD23 LEU 527 -6.911 -5.471 18.812 976 H LEU 528 H LEU 528 -4.930 -8.409 14.056 977 HA LEU 528 HA LEU 528 -3.728 -6.291 12.563 978 HB2 LEU 528 HB2 LEU 528 -4.526 -9.109 11.816 979 HB3 LEU 528 HB3 LEU 528 -3.696 -8.028 10.722 980 HG LEU 528 HG LEU 528 -2.566 -8.972 13.365 981 HD11 LEU 528 HD11 LEU 528 -1.966 -9.927 10.567 982 HD12 LEU 528 HD12 LEU 528 -2.754 -10.854 11.843 983 HD13 LEU 528 HD13 LEU 528 -1.066 -10.373 12.016 984 HD21 LEU 528 HD21 LEU 528 -1.323 -7.461 11.074 985 HD22 LEU 528 HD22 LEU 528 -0.458 -8.073 12.483 986 HD23 LEU 528 HD23 LEU 528 -1.686 -6.822 12.678 987 H SER 529 H SER 529 -6.769 -6.417 13.365 988 HA SER 529 HA SER 529 -7.801 -5.513 10.754 989 HB2 SER 529 HB2 SER 529 -10.007 -6.458 11.328 990 HB3 SER 529 HB3 SER 529 -8.770 -7.710 11.257 991 HG SER 529 HG SER 529 -9.214 -8.158 13.251 992 H GLY 530 H GLY 530 -7.428 -4.940 14.117 993 HA2 GLY 530 HA2 GLY 530 -9.476 -2.873 14.269 994 HA3 GLY 530 HA3 GLY 530 -8.422 -3.398 15.569 995 H ASP 531 H ASP 531 -6.246 -3.017 13.289 996 HA ASP 531 HA ASP 531 -5.897 -0.124 13.739 997 HB2 ASP 531 HB2 ASP 531 -3.760 -2.264 13.540 998 HB3 ASP 531 HB3 ASP 531 -3.442 -0.537 13.651 999 H GLU 532 H GLU 532 -6.665 -2.319 11.479 1000 HA GLU 532 HA GLU 532 -5.209 -1.066 9.279 1001 HB2 GLU 532 HB2 GLU 532 -6.631 -3.684 9.559 1002 HB3 GLU 532 HB3 GLU 532 -6.121 -3.051 8.008 1003 HG2 GLU 532 HG2 GLU 532 -3.819 -2.822 9.378 1004 HG3 GLU 532 HG3 GLU 532 -4.537 -4.194 10.198 1005 H ASP 533 H ASP 533 -7.859 -0.402 10.802 1006 HA ASP 533 HA ASP 533 -9.655 -0.108 8.498 1007 HB2 ASP 533 HB2 ASP 533 -10.052 -0.292 11.450 1008 HB3 ASP 533 HB3 ASP 533 -11.212 0.662 10.534 1009 H PHE 534 H PHE 534 -7.417 1.668 10.281 1010 HA PHE 534 HA PHE 534 -8.749 4.242 9.955 1011 HB2 PHE 534 HB2 PHE 534 -6.141 3.454 11.264 1012 HB3 PHE 534 HB3 PHE 534 -6.662 5.124 11.097 1013 HD1 PHE 534 HD1 PHE 534 -7.126 1.992 12.886 1014 HD2 PHE 534 HD2 PHE 534 -8.597 5.954 12.363 1015 HE1 PHE 534 HE1 PHE 534 -8.383 1.802 14.994 1016 HE2 PHE 534 HE2 PHE 534 -9.857 5.769 14.467 1017 HZ PHE 534 HZ PHE 534 -9.750 3.689 15.786 1018 H SER 535 H SER 535 -6.823 2.272 8.085 1019 HA SER 535 HA SER 535 -5.463 4.403 6.668 1020 HB2 SER 535 HB2 SER 535 -4.516 2.632 5.283 1021 HB3 SER 535 HB3 SER 535 -4.307 2.245 6.985 1022 HG SER 535 HG SER 535 -5.898 0.729 6.837 1023 H SER 536 H SER 536 -8.521 3.041 6.643 1024 HA SER 536 HA SER 536 -9.108 3.335 3.842 1025 HB2 SER 536 HB2 SER 536 -11.412 2.849 4.471 1026 HB3 SER 536 HB3 SER 536 -10.301 1.708 5.206 1027 HG SER 536 HG SER 536 -11.634 3.873 6.429 1028 H ILE 537 H ILE 537 -9.437 5.269 6.748 1029 HA ILE 537 HA ILE 537 -10.675 7.462 5.307 1030 HB ILE 537 HB ILE 537 -10.606 8.663 7.484 1031 HG12 ILE 537 HG12 ILE 537 -9.443 6.092 8.596 1032 HG13 ILE 537 HG13 ILE 537 -8.548 7.584 8.364 1033 HG21 ILE 537 HG21 ILE 537 -12.601 7.382 7.000 1034 HG22 ILE 537 HG22 ILE 537 -12.227 7.274 8.720 1035 HG23 ILE 537 HG23 ILE 537 -11.857 5.920 7.651 1036 HD11 ILE 537 HD11 ILE 537 -10.191 8.653 9.985 1037 HD12 ILE 537 HD12 ILE 537 -9.062 7.476 10.660 1038 HD13 ILE 537 HD13 ILE 537 -10.736 7.015 10.349 1039 H ALA 538 H ALA 538 -7.533 6.366 6.144 1040 HA ALA 538 HA ALA 538 -6.300 8.893 5.441 1041 HB1 ALA 538 HB1 ALA 538 -4.259 7.968 6.097 1042 HB2 ALA 538 HB2 ALA 538 -4.825 6.322 5.843 1043 HB3 ALA 538 HB3 ALA 538 -5.427 7.256 7.211 1044 H ASP 539 H ASP 539 -7.884 6.790 3.738 1045 HA ASP 539 HA ASP 539 -6.124 6.601 1.409 1046 HB2 ASP 539 HB2 ASP 539 -7.617 4.679 2.154 1047 HB3 ASP 539 HB3 ASP 539 -8.997 5.660 1.677 1048 H MET 540 H MET 540 -9.066 8.207 2.532 1049 HA MET 540 HA MET 540 -9.490 9.803 0.206 1050 HB2 MET 540 HB2 MET 540 -10.311 10.216 3.090 1051 HB3 MET 540 HB3 MET 540 -10.826 11.240 1.758 1052 HG2 MET 540 HG2 MET 540 -11.415 8.299 2.053 1053 HG3 MET 540 HG3 MET 540 -12.547 9.616 2.338 1054 HE1 MET 540 HE1 MET 540 -13.227 11.002 -1.213 1055 HE2 MET 540 HE2 MET 540 -11.947 11.602 -0.158 1056 HE3 MET 540 HE3 MET 540 -13.508 11.157 0.522 1057 H ASP 541 H ASP 541 -7.184 9.833 2.676 1058 HA ASP 541 HA ASP 541 -6.585 12.621 2.691 1059 HB2 ASP 541 HB2 ASP 541 -5.336 10.176 3.880 1060 HB3 ASP 541 HB3 ASP 541 -4.409 11.661 3.810 1061 H PHE 542 H PHE 542 -5.318 9.768 1.007 1062 HA PHE 542 HA PHE 542 -3.002 11.183 0.005 1063 HB2 PHE 542 HB2 PHE 542 -2.953 8.774 0.672 1064 HB3 PHE 542 HB3 PHE 542 -3.921 8.411 -0.751 1065 HD1 PHE 542 HD1 PHE 542 -0.691 8.898 0.530 1066 HD2 PHE 542 HD2 PHE 542 -2.901 9.029 -3.062 1067 HE1 PHE 542 HE1 PHE 542 1.400 8.663 -0.725 1068 HE2 PHE 542 HE2 PHE 542 -0.825 8.806 -4.354 1069 HZ PHE 542 HZ PHE 542 1.219 8.732 -3.369 1070 H SER 543 H SER 543 -6.178 10.368 -1.181 1071 HA SER 543 HA SER 543 -5.575 10.351 -3.961 1072 HB2 SER 543 HB2 SER 543 -8.014 10.340 -4.279 1073 HB3 SER 543 HB3 SER 543 -7.516 9.179 -3.052 1074 HG SER 543 HG SER 543 -9.039 11.468 -2.812 1075 H ALA 544 H ALA 544 -6.332 12.909 -1.731 1076 HA ALA 544 HA ALA 544 -6.809 14.849 -3.856 1077 HB1 ALA 544 HB1 ALA 544 -7.215 16.437 -2.050 1078 HB2 ALA 544 HB2 ALA 544 -6.700 15.235 -0.865 1079 HB3 ALA 544 HB3 ALA 544 -8.160 14.967 -1.817 1080 H LEU 545 H LEU 545 -4.190 13.587 -2.107 1081 HA LEU 545 HA LEU 545 -2.531 15.964 -2.206 1082 HB2 LEU 545 HB2 LEU 545 -2.174 13.182 -1.150 1083 HB3 LEU 545 HB3 LEU 545 -0.811 14.264 -1.295 1084 HG LEU 545 HG LEU 545 -3.271 14.767 0.378 1085 HD11 LEU 545 HD11 LEU 545 -1.796 14.435 2.306 1086 HD12 LEU 545 HD12 LEU 545 -0.494 13.959 1.218 1087 HD13 LEU 545 HD13 LEU 545 -1.950 12.972 1.336 1088 HD21 LEU 545 HD21 LEU 545 -0.726 16.316 0.023 1089 HD22 LEU 545 HD22 LEU 545 -1.872 16.590 1.331 1090 HD23 LEU 545 HD23 LEU 545 -2.370 16.844 -0.340 1091 H LEU 546 H LEU 546 -2.826 12.891 -3.939 1092 HA LEU 546 HA LEU 546 -0.411 13.340 -5.493 1093 HB2 LEU 546 HB2 LEU 546 -1.122 11.058 -4.822 1094 HB3 LEU 546 HB3 LEU 546 -2.552 11.227 -5.816 1095 HG LEU 546 HG LEU 546 -0.922 11.617 -7.750 1096 HD11 LEU 546 HD11 LEU 546 1.263 10.583 -7.531 1097 HD12 LEU 546 HD12 LEU 546 0.948 10.239 -5.826 1098 HD13 LEU 546 HD13 LEU 546 1.094 11.909 -6.380 1099 HD21 LEU 546 HD21 LEU 546 -0.674 9.186 -8.119 1100 HD22 LEU 546 HD22 LEU 546 -2.289 9.626 -7.566 1101 HD23 LEU 546 HD23 LEU 546 -1.140 8.910 -6.440 1102 H SER 547 H SER 547 -3.792 13.875 -5.748 1103 HA SER 547 HA SER 547 -3.564 14.756 -8.537 1104 HB2 SER 547 HB2 SER 547 -6.012 14.449 -6.772 1105 HB3 SER 547 HB3 SER 547 -6.039 14.946 -8.464 1106 HG SER 547 HG SER 547 -4.645 12.746 -8.416 1107 H GLN 548 H GLN 548 -2.103 16.467 -7.659 1108 HA GLN 548 HA GLN 548 -3.532 18.736 -6.473 1109 HB2 GLN 548 HB2 GLN 548 -0.683 17.869 -6.466 1110 HB3 GLN 548 HB3 GLN 548 -1.012 19.593 -6.385 1111 HG2 GLN 548 HG2 GLN 548 -2.329 19.273 -4.360 1112 HG3 GLN 548 HG3 GLN 548 -2.099 17.535 -4.479 1113 HE21 GLN 548 HE21 GLN 548 -1.424 18.830 -2.184 1114 HE22 GLN 548 HE22 GLN 548 0.293 18.848 -1.998 1115 H ILE 549 H ILE 549 -4.559 18.950 -8.636 1116 HA ILE 549 HA ILE 549 -2.892 20.603 -10.412 1117 HB ILE 549 HB ILE 549 -5.189 18.803 -11.197 1118 HG12 ILE 549 HG12 ILE 549 -2.345 18.795 -12.249 1119 HG13 ILE 549 HG13 ILE 549 -2.863 17.789 -10.904 1120 HG21 ILE 549 HG21 ILE 549 -5.398 20.899 -12.390 1121 HG22 ILE 549 HG22 ILE 549 -4.852 19.638 -13.495 1122 HG23 ILE 549 HG23 ILE 549 -3.704 20.823 -12.876 1123 HD11 ILE 549 HD11 ILE 549 -4.462 16.659 -12.370 1124 HD12 ILE 549 HD12 ILE 549 -2.812 16.536 -12.984 1125 HD13 ILE 549 HD13 ILE 549 -3.943 17.675 -13.716 1126 H SER 550 H SER 550 -6.048 20.236 -8.891 1127 HA SER 550 HA SER 550 -6.694 23.019 -9.619 1128 HB2 SER 550 HB2 SER 550 -8.312 21.474 -10.572 1129 HB3 SER 550 HB3 SER 550 -8.555 20.708 -9.004 1130 HG SER 550 HG SER 550 -9.489 23.153 -9.962 1131 H SER 551 H SER 551 -7.202 24.456 -8.041 1132 HA SER 551 HA SER 551 -6.986 23.518 -5.257 1133 HB2 SER 551 HB2 SER 551 -5.141 24.992 -5.876 1134 HB3 SER 551 HB3 SER 551 -6.275 26.219 -6.439 1135 HG SER 551 HG SER 551 -6.010 25.279 -3.771
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