NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634251 | 6drg | 30478 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS -7 H1 HIS 1 -28.575 -6.108 13.879 2 H2 HIS -7 H2 HIS 1 -29.375 -5.570 12.578 3 H3 HIS -7 H3 HIS 1 -29.704 -7.098 13.082 4 HA HIS -7 HA HIS 1 -27.147 -7.362 12.660 5 HB2 HIS -7 HB2 HIS 1 -29.136 -6.936 10.245 6 HB3 HIS -7 HB3 HIS 1 -27.709 -7.933 10.179 7 HD1 HIS -7 HD1 HIS 1 -27.818 -10.183 11.819 8 HD2 HIS -7 HD2 HIS 1 -31.495 -8.388 10.782 9 HE1 HIS -7 HE1 HIS 1 -29.669 -11.852 12.235 10 H HIS -6 H HIS 2 -25.386 -6.338 11.893 11 HA HIS -6 HA HIS 2 -24.012 -4.641 11.600 12 HB2 HIS -6 HB2 HIS 2 -25.916 -4.408 9.279 13 HB3 HIS -6 HB3 HIS 2 -24.860 -3.053 9.533 14 HD1 HIS -6 HD1 HIS 2 -24.887 -5.677 7.379 15 HD2 HIS -6 HD2 HIS 2 -21.918 -4.315 10.049 16 HE1 HIS -6 HE1 HIS 2 -22.633 -6.443 6.524 17 H HIS -5 H HIS 3 -23.931 -3.473 13.454 18 HA HIS -5 HA HIS 3 -25.514 -0.936 13.529 19 HB2 HIS -5 HB2 HIS 3 -26.311 -2.555 15.242 20 HB3 HIS -5 HB3 HIS 3 -24.692 -2.731 15.863 21 HD1 HIS -5 HD1 HIS 3 -27.289 0.060 15.343 22 HD2 HIS -5 HD2 HIS 3 -24.116 -0.912 17.946 23 HE1 HIS -5 HE1 HIS 3 -27.200 1.800 17.182 24 H HIS -4 H HIS 4 -24.243 0.738 13.223 25 HA HIS -4 HA HIS 4 -21.803 1.128 14.709 26 HB2 HIS -4 HB2 HIS 4 -21.758 0.811 11.665 27 HB3 HIS -4 HB3 HIS 4 -20.601 1.840 12.455 28 HD1 HIS -4 HD1 HIS 4 -19.478 0.354 14.756 29 HD2 HIS -4 HD2 HIS 4 -20.489 -1.640 11.177 30 HE1 HIS -4 HE1 HIS 4 -18.160 -1.801 14.643 31 H HIS -3 H HIS 5 -21.045 3.314 14.587 32 HA HIS -3 HA HIS 5 -22.485 5.399 13.266 33 HB2 HIS -3 HB2 HIS 5 -23.359 6.468 15.402 34 HB3 HIS -3 HB3 HIS 5 -24.246 5.078 14.871 35 HD1 HIS -3 HD1 HIS 5 -22.036 6.283 17.673 36 HD2 HIS -3 HD2 HIS 5 -24.098 2.754 16.636 37 HE1 HIS -3 HE1 HIS 5 -22.061 4.751 19.687 38 H HIS -2 H HIS 6 -20.985 6.927 12.916 39 HA HIS -2 HA HIS 6 -19.366 8.121 14.828 40 HB2 HIS -2 HB2 HIS 6 -18.107 5.702 13.596 41 HB3 HIS -2 HB3 HIS 6 -17.164 7.129 13.334 42 HD1 HIS -2 HD1 HIS 6 -17.126 4.511 15.589 43 HD2 HIS -2 HD2 HIS 6 -17.042 8.691 16.146 44 HE1 HIS -2 HE1 HIS 6 -16.146 4.996 17.875 45 H VAL -1 H VAL 7 -18.057 9.824 13.975 46 HA VAL -1 HA VAL 7 -19.141 10.995 11.554 47 HB VAL -1 HB VAL 7 -16.992 11.933 13.510 48 HG11 VAL -1 HG11 VAL 7 -17.327 14.226 12.530 49 HG12 VAL -1 HG12 VAL 7 -16.541 13.132 11.417 50 HG13 VAL -1 HG13 VAL 7 -18.253 13.507 11.219 51 HG21 VAL -1 HG21 VAL 7 -18.730 13.485 14.352 52 HG22 VAL -1 HG22 VAL 7 -19.912 12.761 13.267 53 HG23 VAL -1 HG23 VAL 7 -19.206 11.814 14.572 54 H ALA 0 H ALA 8 -15.774 10.260 12.641 55 HA ALA 0 HA ALA 8 -14.783 10.129 9.857 56 HB1 ALA 0 HB1 ALA 8 -12.563 10.148 11.004 57 HB2 ALA 0 HB2 ALA 8 -13.549 11.489 11.554 58 HB3 ALA 0 HB3 ALA 8 -13.355 10.069 12.574 59 H MET 1 H MET 9 -12.965 8.335 9.674 60 HA MET 1 HA MET 9 -14.059 5.717 10.620 61 HB2 MET 1 HB2 MET 9 -13.001 6.673 7.965 62 HB3 MET 1 HB3 MET 9 -12.500 5.092 8.437 63 HG2 MET 1 HG2 MET 9 -15.310 5.090 8.969 64 HG3 MET 1 HG3 MET 9 -15.143 5.995 7.508 65 HE1 MET 1 HE1 MET 9 -13.950 1.571 8.216 66 HE2 MET 1 HE2 MET 9 -13.053 2.880 8.988 67 HE3 MET 1 HE3 MET 9 -14.761 2.627 9.376 68 H SER 2 H SER 10 -12.665 4.053 10.994 69 HA SER 2 HA SER 10 -10.145 4.844 12.341 70 HB2 SER 2 HB2 SER 10 -12.015 2.407 12.522 71 HB3 SER 2 HB3 SER 10 -10.483 2.530 13.370 72 HG SER 2 HG SER 10 -12.235 3.218 14.640 73 H PHE 3 H PHE 11 -8.420 4.716 10.973 74 HA PHE 3 HA PHE 11 -8.182 2.743 8.873 75 HB2 PHE 3 HB2 PHE 11 -6.363 4.805 10.074 76 HB3 PHE 3 HB3 PHE 11 -5.693 3.597 9.032 77 HD1 PHE 3 HD1 PHE 11 -7.858 6.584 9.193 78 HD2 PHE 3 HD2 PHE 11 -6.348 3.486 6.595 79 HE1 PHE 3 HE1 PHE 11 -8.415 7.932 7.223 80 HE2 PHE 3 HE2 PHE 11 -6.892 4.878 4.647 81 HZ PHE 3 HZ PHE 11 -7.853 7.121 4.962 82 H SER 4 H SER 12 -7.477 2.710 12.275 83 HA SER 4 HA SER 12 -5.495 0.817 12.562 84 HB2 SER 4 HB2 SER 12 -6.400 2.247 14.348 85 HB3 SER 4 HB3 SER 12 -7.933 1.396 14.306 86 HG SER 4 HG SER 12 -6.571 0.654 15.961 87 H GLY 5 H GLY 13 -5.328 -1.218 11.780 88 HA2 GLY 5 HA2 GLY 13 -6.792 -3.414 12.505 89 HA3 GLY 5 HA3 GLY 13 -7.644 -2.854 11.065 90 H LYS 6 H LYS 14 -6.429 -5.317 11.075 91 HA LYS 6 HA LYS 14 -4.105 -5.054 9.241 92 HB2 LYS 6 HB2 LYS 14 -4.674 -6.860 11.522 93 HB3 LYS 6 HB3 LYS 14 -4.523 -7.781 10.081 94 HG2 LYS 6 HG2 LYS 14 -2.327 -5.966 9.971 95 HG3 LYS 6 HG3 LYS 14 -2.429 -6.458 11.632 96 HD2 LYS 6 HD2 LYS 14 -2.323 -8.336 9.241 97 HD3 LYS 6 HD3 LYS 14 -0.920 -7.827 10.132 98 HE2 LYS 6 HE2 LYS 14 -1.796 -8.922 12.200 99 HE3 LYS 6 HE3 LYS 14 -3.253 -9.406 11.353 100 HZ1 LYS 6 HZ1 LYS 14 -1.666 -11.157 11.423 101 HZ2 LYS 6 HZ2 LYS 14 -1.896 -10.690 9.858 102 HZ3 LYS 6 HZ3 LYS 14 -0.528 -10.238 10.663 103 H TYR 7 H TYR 15 -4.105 -6.132 7.285 104 HA TYR 7 HA TYR 15 -6.659 -7.286 6.308 105 HB2 TYR 7 HB2 TYR 15 -5.153 -5.042 4.881 106 HB3 TYR 7 HB3 TYR 15 -6.661 -5.764 4.399 107 HD1 TYR 7 HD1 TYR 15 -8.788 -5.066 5.444 108 HD2 TYR 7 HD2 TYR 15 -5.020 -3.417 6.737 109 HE1 TYR 7 HE1 TYR 15 -9.993 -3.296 6.693 110 HE2 TYR 7 HE2 TYR 15 -6.226 -1.650 7.990 111 HH TYR 7 HH TYR 15 -8.267 -0.782 8.587 112 H GLN 8 H GLN 16 -6.389 -8.834 4.696 113 HA GLN 8 HA GLN 16 -3.579 -9.584 3.986 114 HB2 GLN 8 HB2 GLN 16 -4.375 -11.832 3.815 115 HB3 GLN 8 HB3 GLN 16 -4.847 -11.199 5.349 116 HG2 GLN 8 HG2 GLN 16 -7.123 -10.667 3.726 117 HG3 GLN 8 HG3 GLN 16 -6.512 -12.153 3.061 118 HE21 GLN 8 HE21 GLN 16 -8.747 -10.991 5.141 119 HE22 GLN 8 HE22 GLN 16 -8.840 -12.316 6.274 120 H LEU 9 H LEU 17 -3.084 -10.075 1.833 121 HA LEU 9 HA LEU 17 -4.277 -8.535 -0.193 122 HB2 LEU 9 HB2 LEU 17 -1.898 -9.663 0.164 123 HB3 LEU 9 HB3 LEU 17 -2.562 -10.994 -0.717 124 HG LEU 9 HG LEU 17 -2.167 -8.115 -1.614 125 HD11 LEU 9 HD11 LEU 17 -0.243 -8.799 -2.653 126 HD12 LEU 9 HD12 LEU 17 -0.299 -10.113 -1.500 127 HD13 LEU 9 HD13 LEU 17 -0.899 -10.366 -3.125 128 HD21 LEU 9 HD21 LEU 17 -2.760 -9.197 -4.003 129 HD22 LEU 9 HD22 LEU 17 -3.790 -10.225 -3.026 130 HD23 LEU 9 HD23 LEU 17 -3.986 -8.471 -2.986 131 H GLN 10 H GLN 18 -5.976 -8.877 -1.538 132 HA GLN 10 HA GLN 18 -7.286 -11.565 -1.641 133 HB2 GLN 10 HB2 GLN 18 -8.401 -8.742 -2.037 134 HB3 GLN 10 HB3 GLN 18 -9.307 -10.196 -2.317 135 HG2 GLN 10 HG2 GLN 18 -8.142 -9.368 0.385 136 HG3 GLN 10 HG3 GLN 18 -9.789 -9.133 -0.133 137 HE21 GLN 10 HE21 GLN 18 -7.656 -11.272 1.451 138 HE22 GLN 10 HE22 GLN 18 -8.718 -12.654 1.534 139 H SER 11 H SER 19 -6.745 -8.611 -3.654 140 HA SER 11 HA SER 19 -6.103 -10.215 -5.988 141 HB2 SER 11 HB2 SER 19 -7.977 -9.471 -7.350 142 HB3 SER 11 HB3 SER 19 -8.619 -10.269 -5.940 143 HG SER 11 HG SER 19 -9.680 -8.313 -6.418 144 H GLN 12 H GLN 20 -5.917 -8.679 -7.970 145 HA GLN 12 HA GLN 20 -4.666 -6.135 -7.471 146 HB2 GLN 12 HB2 GLN 20 -2.341 -7.050 -7.984 147 HB3 GLN 12 HB3 GLN 20 -2.960 -7.398 -6.391 148 HG2 GLN 12 HG2 GLN 20 -3.432 -9.733 -6.948 149 HG3 GLN 12 HG3 GLN 20 -3.155 -9.449 -8.645 150 HE21 GLN 12 HE21 GLN 20 -1.514 -9.662 -5.463 151 HE22 GLN 12 HE22 GLN 20 0.055 -10.029 -6.124 152 H GLU 13 H GLU 21 -3.944 -5.124 -9.383 153 HA GLU 13 HA GLU 21 -4.192 -6.568 -11.955 154 HB2 GLU 13 HB2 GLU 21 -5.405 -3.793 -11.672 155 HB3 GLU 13 HB3 GLU 21 -5.584 -4.932 -12.954 156 HG2 GLU 13 HG2 GLU 21 -6.997 -6.414 -11.526 157 HG3 GLU 13 HG3 GLU 21 -6.849 -5.290 -10.190 158 H ASN 14 H ASN 22 -2.779 -5.765 -13.521 159 HA ASN 14 HA ASN 22 -0.928 -5.019 -14.306 160 HB2 ASN 14 HB2 ASN 22 -2.160 -2.496 -13.177 161 HB3 ASN 14 HB3 ASN 22 -0.515 -2.314 -13.672 162 HD21 ASN 14 HD21 ASN 22 -2.992 -1.173 -14.828 163 HD22 ASN 14 HD22 ASN 22 -2.838 -1.526 -16.533 164 H PHE 15 H PHE 23 -0.730 -6.291 -11.642 165 HA PHE 15 HA PHE 23 1.261 -5.050 -10.080 166 HB2 PHE 15 HB2 PHE 23 -0.136 -6.735 -9.118 167 HB3 PHE 15 HB3 PHE 23 0.351 -7.927 -10.283 168 HD1 PHE 15 HD1 PHE 23 2.400 -9.210 -9.996 169 HD2 PHE 15 HD2 PHE 23 1.613 -5.864 -7.391 170 HE1 PHE 15 HE1 PHE 23 4.271 -9.835 -8.567 171 HE2 PHE 15 HE2 PHE 23 3.477 -6.560 -5.956 172 HZ PHE 15 HZ PHE 23 4.811 -8.544 -6.538 173 H GLU 16 H GLU 24 1.716 -7.709 -12.524 174 HA GLU 16 HA GLU 24 4.544 -7.638 -12.335 175 HB2 GLU 16 HB2 GLU 24 2.807 -8.594 -14.642 176 HB3 GLU 16 HB3 GLU 24 4.524 -8.829 -14.525 177 HG2 GLU 16 HG2 GLU 24 3.919 -9.980 -12.178 178 HG3 GLU 16 HG3 GLU 24 2.318 -10.096 -12.850 179 H ALA 17 H ALA 25 2.319 -5.888 -14.565 180 HA ALA 17 HA ALA 25 4.233 -4.694 -16.224 181 HB1 ALA 17 HB1 ALA 25 2.398 -3.046 -16.702 182 HB2 ALA 17 HB2 ALA 25 1.816 -4.704 -16.722 183 HB3 ALA 17 HB3 ALA 25 1.487 -3.673 -15.332 184 H PHE 18 H PHE 26 2.866 -3.476 -13.129 185 HA PHE 18 HA PHE 26 4.385 -1.058 -13.071 186 HB2 PHE 18 HB2 PHE 26 2.279 -1.264 -11.947 187 HB3 PHE 18 HB3 PHE 26 2.814 -2.610 -10.979 188 HD1 PHE 18 HD1 PHE 26 4.282 -2.272 -9.012 189 HD2 PHE 18 HD2 PHE 26 3.007 1.070 -11.424 190 HE1 PHE 18 HE1 PHE 26 5.080 -0.698 -7.287 191 HE2 PHE 18 HE2 PHE 26 3.795 2.606 -9.665 192 HZ PHE 18 HZ PHE 26 4.848 1.728 -7.624 193 H MET 19 H MET 27 4.900 -4.257 -11.499 194 HA MET 19 HA MET 27 7.188 -3.482 -10.031 195 HB2 MET 19 HB2 MET 27 6.262 -6.242 -10.884 196 HB3 MET 19 HB3 MET 27 7.560 -5.878 -9.768 197 HG2 MET 19 HG2 MET 27 4.909 -4.635 -9.109 198 HG3 MET 19 HG3 MET 27 5.049 -6.359 -8.937 199 HE1 MET 19 HE1 MET 27 5.551 -3.854 -5.553 200 HE2 MET 19 HE2 MET 27 5.307 -3.103 -7.125 201 HE3 MET 19 HE3 MET 27 4.241 -4.414 -6.603 202 H LYS 20 H LYS 28 6.933 -5.113 -13.268 203 HA LYS 20 HA LYS 28 9.733 -5.254 -13.740 204 HB2 LYS 20 HB2 LYS 28 7.287 -5.341 -15.576 205 HB3 LYS 20 HB3 LYS 28 8.871 -5.175 -16.229 206 HG2 LYS 20 HG2 LYS 28 8.755 -7.392 -16.407 207 HG3 LYS 20 HG3 LYS 28 9.592 -7.263 -14.894 208 HD2 LYS 20 HD2 LYS 28 7.376 -7.648 -13.699 209 HD3 LYS 20 HD3 LYS 28 6.615 -7.834 -15.252 210 HE2 LYS 20 HE2 LYS 28 8.953 -9.629 -14.436 211 HE3 LYS 20 HE3 LYS 28 7.304 -10.003 -13.991 212 HZ1 LYS 20 HZ1 LYS 28 7.970 -11.092 -15.959 213 HZ2 LYS 20 HZ2 LYS 28 6.677 -10.100 -16.232 214 HZ3 LYS 20 HZ3 LYS 28 8.189 -9.660 -16.741 215 H ALA 21 H ALA 29 7.433 -2.552 -14.099 216 HA ALA 21 HA ALA 29 9.201 -0.916 -15.678 217 HB1 ALA 21 HB1 ALA 29 7.490 0.843 -15.253 218 HB2 ALA 21 HB2 ALA 29 6.787 -0.654 -15.843 219 HB3 ALA 21 HB3 ALA 29 6.657 -0.233 -14.137 220 H ILE 22 H ILE 30 8.519 -1.104 -12.126 221 HA ILE 22 HA ILE 30 10.391 1.074 -11.565 222 HB ILE 22 HB ILE 30 10.079 0.489 -9.194 223 HG12 ILE 22 HG12 ILE 30 7.912 -1.440 -9.988 224 HG13 ILE 22 HG13 ILE 30 9.497 -2.003 -9.591 225 HG21 ILE 22 HG21 ILE 30 7.811 1.383 -8.992 226 HG22 ILE 22 HG22 ILE 30 8.665 2.180 -10.297 227 HG23 ILE 22 HG23 ILE 30 7.454 0.952 -10.659 228 HD11 ILE 22 HD11 ILE 30 8.181 -2.190 -7.582 229 HD12 ILE 22 HD12 ILE 30 9.200 -0.777 -7.309 230 HD13 ILE 22 HD13 ILE 30 7.510 -0.580 -7.763 231 H GLY 23 H GLY 31 10.868 -2.118 -12.495 232 HA2 GLY 23 HA2 GLY 31 12.916 -3.004 -12.984 233 HA3 GLY 23 HA3 GLY 31 13.723 -1.818 -11.984 234 H LEU 24 H LEU 32 11.070 -3.913 -10.728 235 HA LEU 24 HA LEU 32 12.710 -4.990 -8.648 236 HB2 LEU 24 HB2 LEU 32 9.891 -5.427 -9.679 237 HB3 LEU 24 HB3 LEU 32 10.506 -6.627 -8.645 238 HG LEU 24 HG LEU 32 9.148 -4.454 -7.845 239 HD11 LEU 24 HD11 LEU 32 9.216 -5.386 -5.802 240 HD12 LEU 24 HD12 LEU 32 10.235 -6.626 -6.500 241 HD13 LEU 24 HD13 LEU 32 10.960 -5.267 -5.659 242 HD21 LEU 24 HD21 LEU 32 10.429 -2.787 -6.728 243 HD22 LEU 24 HD22 LEU 32 11.943 -3.623 -7.055 244 HD23 LEU 24 HD23 LEU 32 11.067 -2.854 -8.358 245 HA PRO 25 HA PRO 33 14.245 -8.685 -10.740 246 HB2 PRO 25 HB2 PRO 33 14.749 -10.302 -8.586 247 HB3 PRO 25 HB3 PRO 33 15.699 -8.861 -8.923 248 HG2 PRO 25 HG2 PRO 33 13.369 -9.118 -7.020 249 HG3 PRO 25 HG3 PRO 33 14.959 -8.457 -6.649 250 HD2 PRO 25 HD2 PRO 33 12.867 -6.837 -7.309 251 HD3 PRO 25 HD3 PRO 33 14.492 -6.450 -7.897 252 H GLU 26 H GLU 34 13.290 -10.503 -11.612 253 HA GLU 26 HA GLU 34 10.521 -10.753 -11.383 254 HB2 GLU 26 HB2 GLU 34 11.794 -11.139 -13.411 255 HB3 GLU 26 HB3 GLU 34 12.543 -12.559 -12.738 256 HG2 GLU 26 HG2 GLU 34 10.437 -13.796 -12.757 257 HG3 GLU 26 HG3 GLU 34 9.510 -12.340 -13.061 258 H GLU 27 H GLU 35 12.927 -12.372 -9.421 259 HA GLU 27 HA GLU 35 11.313 -14.504 -8.458 260 HB2 GLU 27 HB2 GLU 35 13.703 -14.502 -8.155 261 HB3 GLU 27 HB3 GLU 35 13.667 -13.018 -7.246 262 HG2 GLU 27 HG2 GLU 35 12.459 -14.149 -5.368 263 HG3 GLU 27 HG3 GLU 35 12.329 -15.615 -6.313 264 H LEU 28 H LEU 36 11.759 -11.136 -7.190 265 HA LEU 28 HA LEU 36 9.889 -11.383 -5.055 266 HB2 LEU 28 HB2 LEU 36 11.070 -9.001 -6.528 267 HB3 LEU 28 HB3 LEU 36 9.906 -8.778 -5.261 268 HG LEU 28 HG LEU 36 12.537 -10.225 -4.873 269 HD11 LEU 28 HD11 LEU 36 13.543 -8.237 -4.615 270 HD12 LEU 28 HD12 LEU 36 12.068 -7.400 -5.059 271 HD13 LEU 28 HD13 LEU 36 12.411 -7.736 -3.378 272 HD21 LEU 28 HD21 LEU 36 11.565 -9.438 -2.332 273 HD22 LEU 28 HD22 LEU 36 10.148 -10.047 -3.155 274 HD23 LEU 28 HD23 LEU 36 11.581 -11.053 -3.001 275 H ILE 29 H ILE 37 9.433 -10.895 -8.478 276 HA ILE 29 HA ILE 37 6.742 -9.795 -8.229 277 HB ILE 29 HB ILE 37 8.295 -10.784 -10.655 278 HG12 ILE 29 HG12 ILE 37 7.693 -7.962 -9.764 279 HG13 ILE 29 HG13 ILE 37 9.186 -8.720 -9.368 280 HG21 ILE 29 HG21 ILE 37 6.573 -9.464 -11.978 281 HG22 ILE 29 HG22 ILE 37 5.903 -10.885 -11.212 282 HG23 ILE 29 HG23 ILE 37 5.634 -9.287 -10.516 283 HD11 ILE 29 HD11 ILE 37 8.587 -7.359 -11.807 284 HD12 ILE 29 HD12 ILE 37 10.101 -8.081 -11.300 285 HD13 ILE 29 HD13 ILE 37 8.953 -9.042 -12.201 286 H GLN 30 H GLN 38 8.206 -12.952 -9.368 287 HA GLN 30 HA GLN 38 5.698 -14.219 -9.718 288 HB2 GLN 30 HB2 GLN 38 8.460 -15.431 -9.191 289 HB3 GLN 30 HB3 GLN 38 7.051 -16.363 -9.590 290 HG2 GLN 30 HG2 GLN 38 8.640 -14.548 -11.400 291 HG3 GLN 30 HG3 GLN 38 8.199 -16.203 -11.631 292 HE21 GLN 30 HE21 GLN 38 7.516 -13.001 -12.477 293 HE22 GLN 30 HE22 GLN 38 5.952 -13.214 -13.207 294 H LYS 31 H LYS 39 7.796 -14.125 -6.782 295 HA LYS 31 HA LYS 39 5.960 -15.733 -5.240 296 HB2 LYS 31 HB2 LYS 39 7.395 -15.306 -3.403 297 HB3 LYS 31 HB3 LYS 39 8.405 -15.498 -4.794 298 HG2 LYS 31 HG2 LYS 39 9.436 -13.629 -3.944 299 HG3 LYS 31 HG3 LYS 39 8.220 -12.829 -4.877 300 HD2 LYS 31 HD2 LYS 39 7.591 -11.709 -3.047 301 HD3 LYS 31 HD3 LYS 39 6.896 -13.175 -2.430 302 HE2 LYS 31 HE2 LYS 39 9.758 -12.246 -1.897 303 HE3 LYS 31 HE3 LYS 39 8.416 -12.130 -0.780 304 HZ1 LYS 31 HZ1 LYS 39 9.766 -14.027 -0.338 305 HZ2 LYS 31 HZ2 LYS 39 8.258 -14.512 -0.795 306 HZ3 LYS 31 HZ3 LYS 39 9.515 -14.626 -1.853 307 H GLY 32 H GLY 40 6.070 -12.286 -6.067 308 HA2 GLY 32 HA2 GLY 40 4.548 -11.326 -3.812 309 HA3 GLY 32 HA3 GLY 40 4.941 -10.469 -5.286 310 H LYS 33 H LYS 41 3.688 -12.501 -7.102 311 HA LYS 33 HA LYS 41 0.829 -11.867 -6.678 312 HB2 LYS 33 HB2 LYS 41 0.547 -12.564 -9.016 313 HB3 LYS 33 HB3 LYS 41 1.596 -11.215 -8.807 314 HG2 LYS 33 HG2 LYS 41 3.288 -12.191 -9.873 315 HG3 LYS 33 HG3 LYS 41 3.278 -13.586 -8.845 316 HD2 LYS 33 HD2 LYS 41 1.461 -13.213 -11.264 317 HD3 LYS 33 HD3 LYS 41 2.984 -14.056 -11.291 318 HE2 LYS 33 HE2 LYS 41 2.094 -15.697 -9.577 319 HE3 LYS 33 HE3 LYS 41 0.539 -14.886 -9.630 320 HZ1 LYS 33 HZ1 LYS 41 0.598 -16.768 -11.061 321 HZ2 LYS 33 HZ2 LYS 41 0.418 -15.398 -11.965 322 HZ3 LYS 33 HZ3 LYS 41 1.878 -16.161 -11.903 323 H ASP 34 H ASP 42 3.044 -14.660 -6.709 324 HA ASP 34 HA ASP 42 0.966 -16.641 -6.784 325 HB2 ASP 34 HB2 ASP 42 3.304 -17.107 -7.557 326 HB3 ASP 34 HB3 ASP 42 3.887 -16.889 -5.936 327 H ILE 35 H ILE 43 3.002 -15.266 -4.128 328 HA ILE 35 HA ILE 43 1.392 -16.656 -2.075 329 HB ILE 35 HB ILE 43 3.763 -14.765 -1.712 330 HG12 ILE 35 HG12 ILE 43 3.891 -17.806 -1.689 331 HG13 ILE 35 HG13 ILE 43 4.373 -16.858 -3.063 332 HG21 ILE 35 HG21 ILE 43 3.973 -15.774 0.542 333 HG22 ILE 35 HG22 ILE 43 2.445 -14.963 0.352 334 HG23 ILE 35 HG23 ILE 43 2.518 -16.718 0.257 335 HD11 ILE 35 HD11 ILE 43 6.427 -17.161 -2.025 336 HD12 ILE 35 HD12 ILE 43 5.976 -15.594 -1.361 337 HD13 ILE 35 HD13 ILE 43 5.768 -17.058 -0.399 338 H LYS 36 H LYS 44 -0.213 -15.626 -0.999 339 HA LYS 36 HA LYS 44 -0.749 -12.765 -1.382 340 HB2 LYS 36 HB2 LYS 44 -2.208 -15.041 0.037 341 HB3 LYS 36 HB3 LYS 44 -2.593 -13.377 0.354 342 HG2 LYS 36 HG2 LYS 44 -4.142 -14.051 -1.267 343 HG3 LYS 36 HG3 LYS 44 -3.058 -12.921 -2.017 344 HD2 LYS 36 HD2 LYS 44 -1.815 -14.948 -3.039 345 HD3 LYS 36 HD3 LYS 44 -3.055 -15.959 -2.354 346 HE2 LYS 36 HE2 LYS 44 -3.630 -15.558 -4.663 347 HE3 LYS 36 HE3 LYS 44 -4.780 -14.636 -3.709 348 HZ1 LYS 36 HZ1 LYS 44 -3.889 -13.374 -5.516 349 HZ2 LYS 36 HZ2 LYS 44 -3.407 -12.696 -4.092 350 HZ3 LYS 36 HZ3 LYS 44 -2.342 -13.590 -4.985 351 H GLY 37 H GLY 45 0.526 -11.402 -0.311 352 HA2 GLY 37 HA2 GLY 45 1.763 -11.986 2.279 353 HA3 GLY 37 HA3 GLY 45 1.849 -10.503 1.356 354 H VAL 38 H VAL 46 1.535 -9.752 3.701 355 HA VAL 38 HA VAL 46 -1.346 -9.292 4.309 356 HB VAL 38 HB VAL 46 0.879 -9.932 6.311 357 HG11 VAL 38 HG11 VAL 46 -1.021 -10.008 7.989 358 HG12 VAL 38 HG12 VAL 46 -0.619 -8.404 7.424 359 HG13 VAL 38 HG13 VAL 46 -2.039 -9.233 6.780 360 HG21 VAL 38 HG21 VAL 46 -0.435 -11.981 6.857 361 HG22 VAL 38 HG22 VAL 46 -1.499 -11.646 5.496 362 HG23 VAL 38 HG23 VAL 46 0.202 -12.021 5.231 363 H SER 39 H SER 47 -1.786 -7.338 5.373 364 HA SER 39 HA SER 47 0.299 -5.225 5.365 365 HB2 SER 39 HB2 SER 47 -1.227 -5.141 3.307 366 HB3 SER 39 HB3 SER 47 -2.601 -4.996 4.370 367 HG SER 39 HG SER 47 -1.871 -2.981 3.664 368 H GLU 40 H GLU 48 -0.130 -3.538 6.889 369 HA GLU 40 HA GLU 48 -2.419 -3.788 8.705 370 HB2 GLU 40 HB2 GLU 48 -0.245 -4.940 9.707 371 HB3 GLU 40 HB3 GLU 48 0.354 -3.297 9.778 372 HG2 GLU 40 HG2 GLU 48 -1.260 -2.544 11.341 373 HG3 GLU 40 HG3 GLU 48 -2.214 -3.995 11.196 374 H ILE 41 H ILE 49 -3.124 -1.845 9.429 375 HA ILE 41 HA ILE 49 -1.688 0.623 8.566 376 HB ILE 41 HB ILE 49 -4.714 0.258 8.462 377 HG12 ILE 41 HG12 ILE 49 -2.811 -0.247 6.174 378 HG13 ILE 41 HG13 ILE 49 -3.957 -1.352 6.841 379 HG21 ILE 41 HG21 ILE 49 -4.647 2.334 7.162 380 HG22 ILE 41 HG22 ILE 49 -3.707 2.589 8.615 381 HG23 ILE 41 HG23 ILE 49 -2.896 2.282 7.083 382 HD11 ILE 41 HD11 ILE 49 -5.065 -0.637 4.905 383 HD12 ILE 41 HD12 ILE 49 -5.793 0.411 6.121 384 HD13 ILE 41 HD13 ILE 49 -4.524 1.028 5.062 385 H VAL 42 H VAL 50 -1.539 2.037 10.236 386 HA VAL 42 HA VAL 50 -3.236 1.684 12.668 387 HB VAL 42 HB VAL 50 -0.216 2.048 12.521 388 HG11 VAL 42 HG11 VAL 50 -0.211 1.841 15.014 389 HG12 VAL 42 HG12 VAL 50 -1.064 3.274 14.486 390 HG13 VAL 42 HG13 VAL 50 -1.973 1.861 15.009 391 HG21 VAL 42 HG21 VAL 50 -0.044 -0.163 13.684 392 HG22 VAL 42 HG22 VAL 50 -1.772 -0.395 13.434 393 HG23 VAL 42 HG23 VAL 50 -0.678 -0.282 12.058 394 H GLN 43 H GLN 51 -3.912 3.582 13.525 395 HA GLN 43 HA GLN 51 -2.821 6.163 12.491 396 HB2 GLN 43 HB2 GLN 51 -4.872 5.645 11.338 397 HB3 GLN 43 HB3 GLN 51 -5.698 5.244 12.827 398 HG2 GLN 43 HG2 GLN 51 -5.415 7.713 13.527 399 HG3 GLN 43 HG3 GLN 51 -4.747 8.022 11.939 400 HE21 GLN 43 HE21 GLN 51 -6.665 9.602 12.084 401 HE22 GLN 43 HE22 GLN 51 -8.219 9.019 11.547 402 H ASN 44 H ASN 52 -2.287 7.564 14.028 403 HA ASN 44 HA ASN 52 -3.069 7.120 16.886 404 HB2 ASN 44 HB2 ASN 52 -0.252 7.713 15.856 405 HB3 ASN 44 HB3 ASN 52 -0.718 7.422 17.511 406 HD21 ASN 44 HD21 ASN 52 0.903 6.065 15.006 407 HD22 ASN 44 HD22 ASN 52 0.647 4.377 15.357 408 H GLY 45 H GLY 53 -4.541 8.872 15.595 409 HA2 GLY 45 HA2 GLY 53 -5.230 11.063 15.688 410 HA3 GLY 45 HA3 GLY 53 -3.852 11.467 16.701 411 H LYS 46 H LYS 54 -2.329 12.772 15.728 412 HA LYS 46 HA LYS 54 -2.329 13.279 12.899 413 HB2 LYS 46 HB2 LYS 54 -0.965 14.397 15.321 414 HB3 LYS 46 HB3 LYS 54 -0.003 14.460 13.890 415 HG2 LYS 46 HG2 LYS 54 -2.760 15.693 14.112 416 HG3 LYS 46 HG3 LYS 54 -1.234 16.529 14.166 417 HD2 LYS 46 HD2 LYS 54 -0.808 15.439 11.787 418 HD3 LYS 46 HD3 LYS 54 -2.518 15.129 11.785 419 HE2 LYS 46 HE2 LYS 54 -2.337 17.159 10.626 420 HE3 LYS 46 HE3 LYS 54 -2.926 17.627 12.209 421 HZ1 LYS 46 HZ1 LYS 54 -1.140 19.014 11.450 422 HZ2 LYS 46 HZ2 LYS 54 -0.638 18.174 12.778 423 HZ3 LYS 46 HZ3 LYS 54 -0.139 17.717 11.274 424 H HIS 47 H HIS 55 -0.336 11.207 15.014 425 HA HIS 47 HA HIS 55 1.543 10.601 12.877 426 HB2 HIS 47 HB2 HIS 55 1.334 10.025 15.752 427 HB3 HIS 47 HB3 HIS 55 1.633 8.548 14.894 428 HD1 HIS 47 HD1 HIS 55 3.597 9.555 12.648 429 HD2 HIS 47 HD2 HIS 55 3.905 10.571 16.734 430 HE1 HIS 47 HE1 HIS 55 5.981 10.212 13.127 431 H PHE 48 H PHE 56 1.831 8.522 11.921 432 HA PHE 48 HA PHE 56 -0.467 6.700 11.820 433 HB2 PHE 48 HB2 PHE 56 -0.612 8.767 10.109 434 HB3 PHE 48 HB3 PHE 56 0.662 7.943 9.281 435 HD1 PHE 48 HD1 PHE 56 -2.895 8.136 9.911 436 HD2 PHE 48 HD2 PHE 56 0.182 5.453 8.503 437 HE1 PHE 48 HE1 PHE 56 -4.588 6.748 8.787 438 HE2 PHE 48 HE2 PHE 56 -1.532 4.092 7.405 439 HZ PHE 48 HZ PHE 56 -3.911 4.760 7.508 440 H LYS 49 H LYS 57 0.192 4.664 11.247 441 HA LYS 49 HA LYS 57 3.037 4.136 10.584 442 HB2 LYS 49 HB2 LYS 57 1.473 3.438 13.010 443 HB3 LYS 49 HB3 LYS 57 2.110 2.021 12.254 444 HG2 LYS 49 HG2 LYS 57 3.873 4.403 12.947 445 HG3 LYS 49 HG3 LYS 57 3.489 3.134 14.069 446 HD2 LYS 49 HD2 LYS 57 4.361 1.707 11.776 447 HD3 LYS 49 HD3 LYS 57 5.385 3.103 11.795 448 HE2 LYS 49 HE2 LYS 57 5.033 1.147 14.118 449 HE3 LYS 49 HE3 LYS 57 6.417 1.241 13.048 450 HZ1 LYS 49 HZ1 LYS 57 6.812 2.375 15.100 451 HZ2 LYS 49 HZ2 LYS 57 6.831 3.456 13.855 452 HZ3 LYS 49 HZ3 LYS 57 5.530 3.385 14.850 453 H PHE 50 H PHE 58 3.370 2.209 9.357 454 HA PHE 50 HA PHE 58 1.006 0.713 8.427 455 HB2 PHE 50 HB2 PHE 58 1.518 2.864 6.939 456 HB3 PHE 50 HB3 PHE 58 2.905 1.981 6.391 457 HD1 PHE 50 HD1 PHE 58 -0.665 2.448 6.091 458 HD2 PHE 50 HD2 PHE 58 2.481 -0.391 5.310 459 HE1 PHE 50 HE1 PHE 58 -2.098 1.274 4.477 460 HE2 PHE 50 HE2 PHE 58 1.006 -1.553 3.713 461 HZ PHE 50 HZ PHE 58 -1.262 -0.707 3.281 462 H THR 51 H THR 59 1.551 -1.395 8.394 463 HA THR 51 HA THR 59 4.426 -2.191 8.226 464 HB THR 51 HB THR 59 2.174 -3.973 9.224 465 HG1 THR 51 HG1 THR 59 2.579 -3.326 11.249 466 HG21 THR 51 HG21 THR 59 3.957 -5.211 10.345 467 HG22 THR 51 HG22 THR 59 4.173 -5.192 8.604 468 HG23 THR 51 HG23 THR 59 5.161 -4.150 9.623 469 H ILE 52 H ILE 60 5.003 -3.188 6.396 470 HA ILE 52 HA ILE 60 2.980 -4.430 4.567 471 HB ILE 52 HB ILE 60 5.836 -3.413 4.090 472 HG12 ILE 52 HG12 ILE 60 4.387 -1.982 2.319 473 HG13 ILE 52 HG13 ILE 60 3.154 -2.185 3.512 474 HG21 ILE 52 HG21 ILE 60 5.366 -3.911 1.644 475 HG22 ILE 52 HG22 ILE 60 5.531 -5.337 2.636 476 HG23 ILE 52 HG23 ILE 60 3.927 -4.777 2.189 477 HD11 ILE 52 HD11 ILE 60 4.329 -0.089 3.944 478 HD12 ILE 52 HD12 ILE 60 4.857 -1.157 5.223 479 HD13 ILE 52 HD13 ILE 60 5.906 -0.865 3.843 480 H THR 53 H THR 61 3.151 -6.676 4.349 481 HA THR 53 HA THR 61 5.641 -8.033 5.281 482 HB THR 53 HB THR 61 2.772 -8.885 5.874 483 HG1 THR 53 HG1 THR 61 3.523 -8.632 8.040 484 HG21 THR 53 HG21 THR 61 3.817 -10.699 7.265 485 HG22 THR 53 HG22 THR 61 4.148 -10.929 5.560 486 HG23 THR 53 HG23 THR 61 5.398 -10.274 6.613 487 H ALA 54 H ALA 62 6.484 -8.743 3.372 488 HA ALA 54 HA ALA 62 4.663 -9.947 1.317 489 HB1 ALA 54 HB1 ALA 62 6.412 -9.378 -0.295 490 HB2 ALA 54 HB2 ALA 62 5.924 -7.934 0.582 491 HB3 ALA 54 HB3 ALA 62 7.436 -8.731 0.977 492 H GLY 55 H GLY 63 4.580 -11.844 2.700 493 HA2 GLY 55 HA2 GLY 63 4.949 -14.097 2.624 494 HA3 GLY 55 HA3 GLY 63 6.453 -13.872 1.757 495 H SER 56 H SER 64 7.941 -12.222 3.526 496 HA SER 56 HA SER 64 7.949 -13.411 6.173 497 HB2 SER 56 HB2 SER 64 9.399 -14.785 4.106 498 HB3 SER 56 HB3 SER 64 10.618 -13.929 5.010 499 HG SER 56 HG SER 64 10.143 -15.971 5.876 500 H LYS 57 H LYS 65 9.602 -11.317 3.780 501 HA LYS 57 HA LYS 65 11.004 -9.721 5.700 502 HB2 LYS 57 HB2 LYS 65 11.184 -8.111 3.788 503 HB3 LYS 57 HB3 LYS 65 11.807 -9.690 3.450 504 HG2 LYS 57 HG2 LYS 65 10.264 -10.171 1.840 505 HG3 LYS 57 HG3 LYS 65 8.950 -9.379 2.630 506 HD2 LYS 57 HD2 LYS 65 11.173 -7.858 1.206 507 HD3 LYS 57 HD3 LYS 65 9.713 -8.379 0.419 508 HE2 LYS 57 HE2 LYS 65 8.415 -7.032 2.256 509 HE3 LYS 57 HE3 LYS 65 9.963 -6.346 2.700 510 HZ1 LYS 57 HZ1 LYS 65 8.793 -4.997 1.137 511 HZ2 LYS 57 HZ2 LYS 65 10.176 -5.559 0.440 512 HZ3 LYS 57 HZ3 LYS 65 8.721 -6.223 0.037 513 H VAL 58 H VAL 66 10.423 -7.866 6.777 514 HA VAL 58 HA VAL 66 7.647 -6.863 6.431 515 HB VAL 58 HB VAL 66 9.163 -7.075 9.066 516 HG11 VAL 58 HG11 VAL 66 7.005 -6.407 10.111 517 HG12 VAL 58 HG12 VAL 66 7.559 -5.143 9.033 518 HG13 VAL 58 HG13 VAL 66 6.283 -6.232 8.516 519 HG21 VAL 58 HG21 VAL 66 7.436 -8.776 9.711 520 HG22 VAL 58 HG22 VAL 66 6.838 -8.778 8.054 521 HG23 VAL 58 HG23 VAL 66 8.467 -9.343 8.414 522 H ILE 59 H ILE 67 7.512 -4.713 6.088 523 HA ILE 59 HA ILE 67 9.834 -2.931 6.726 524 HB ILE 59 HB ILE 67 7.903 -2.832 4.371 525 HG12 ILE 59 HG12 ILE 67 10.937 -2.934 4.381 526 HG13 ILE 59 HG13 ILE 67 9.929 -4.335 4.173 527 HG21 ILE 59 HG21 ILE 67 9.016 -0.690 3.672 528 HG22 ILE 59 HG22 ILE 67 8.139 -0.500 5.159 529 HG23 ILE 59 HG23 ILE 67 9.888 -0.665 5.198 530 HD11 ILE 59 HD11 ILE 67 10.531 -3.690 1.967 531 HD12 ILE 59 HD12 ILE 67 8.866 -3.118 2.130 532 HD13 ILE 59 HD13 ILE 67 10.222 -1.998 2.260 533 H GLN 60 H GLN 68 9.347 -1.349 8.119 534 HA GLN 60 HA GLN 68 6.488 -0.664 8.667 535 HB2 GLN 60 HB2 GLN 68 8.872 -0.706 10.562 536 HB3 GLN 60 HB3 GLN 68 7.308 -0.067 10.953 537 HG2 GLN 60 HG2 GLN 68 6.467 -2.099 11.479 538 HG3 GLN 60 HG3 GLN 68 6.885 -2.758 9.929 539 HE21 GLN 60 HE21 GLN 68 9.163 -3.569 9.600 540 HE22 GLN 60 HE22 GLN 68 9.981 -4.249 10.981 541 H ASN 61 H ASN 69 5.965 1.339 8.194 542 HA ASN 61 HA ASN 69 8.052 3.447 7.984 543 HB2 ASN 61 HB2 ASN 69 5.601 2.821 6.242 544 HB3 ASN 61 HB3 ASN 69 6.277 4.427 6.298 545 HD21 ASN 61 HD21 ASN 69 6.535 1.499 4.652 546 HD22 ASN 61 HD22 ASN 69 8.056 1.825 3.862 547 H GLU 62 H GLU 70 7.522 5.424 8.839 548 HA GLU 62 HA GLU 70 4.882 5.813 10.095 549 HB2 GLU 62 HB2 GLU 70 6.509 5.036 11.839 550 HB3 GLU 62 HB3 GLU 70 7.575 6.342 11.425 551 HG2 GLU 62 HG2 GLU 70 5.902 8.017 12.169 552 HG3 GLU 62 HG3 GLU 70 4.720 6.760 12.456 553 H PHE 63 H PHE 71 4.100 7.834 9.922 554 HA PHE 63 HA PHE 71 5.759 10.082 9.145 555 HB2 PHE 63 HB2 PHE 71 4.506 10.642 7.134 556 HB3 PHE 63 HB3 PHE 71 5.192 9.065 6.927 557 HD1 PHE 63 HD1 PHE 71 3.657 7.029 7.027 558 HD2 PHE 63 HD2 PHE 71 2.107 11.052 7.244 559 HE1 PHE 63 HE1 PHE 71 1.395 6.207 6.559 560 HE2 PHE 63 HE2 PHE 71 -0.147 10.185 6.773 561 HZ PHE 63 HZ PHE 71 -0.502 7.796 6.392 562 H THR 64 H THR 72 4.423 12.098 9.112 563 HA THR 64 HA THR 72 2.119 11.976 11.015 564 HB THR 64 HB THR 72 4.252 14.147 10.675 565 HG1 THR 64 HG1 THR 72 4.740 13.526 12.831 566 HG21 THR 64 HG21 THR 72 3.204 15.182 12.713 567 HG22 THR 64 HG22 THR 72 2.062 15.169 11.383 568 HG23 THR 64 HG23 THR 72 1.925 13.973 12.670 569 H VAL 65 H VAL 73 0.259 12.743 10.162 570 HA VAL 65 HA VAL 73 0.027 13.377 7.422 571 HB VAL 65 HB VAL 73 -1.904 13.712 9.756 572 HG11 VAL 65 HG11 VAL 73 -3.767 13.729 8.069 573 HG12 VAL 65 HG12 VAL 73 -2.802 15.184 7.996 574 HG13 VAL 65 HG13 VAL 73 -2.586 13.920 6.785 575 HG21 VAL 65 HG21 VAL 73 -2.926 11.619 8.966 576 HG22 VAL 65 HG22 VAL 73 -1.774 11.520 7.642 577 HG23 VAL 65 HG23 VAL 73 -1.229 11.352 9.309 578 H GLY 66 H GLY 74 0.172 15.248 6.312 579 HA2 GLY 66 HA2 GLY 74 0.036 17.506 5.828 580 HA3 GLY 66 HA3 GLY 74 -0.381 17.881 7.480 581 H GLU 67 H GLU 75 2.382 15.957 7.738 582 HA GLU 67 HA GLU 75 4.311 18.233 7.556 583 HB2 GLU 67 HB2 GLU 75 3.830 16.042 9.595 584 HB3 GLU 67 HB3 GLU 75 5.458 16.583 9.374 585 HG2 GLU 67 HG2 GLU 75 3.166 18.503 10.041 586 HG3 GLU 67 HG3 GLU 75 4.091 17.666 11.261 587 H GLU 68 H GLU 76 6.218 17.874 6.561 588 HA GLU 68 HA GLU 76 6.445 15.787 4.631 589 HB2 GLU 68 HB2 GLU 76 8.366 17.918 5.646 590 HB3 GLU 68 HB3 GLU 76 8.774 16.829 4.349 591 HG2 GLU 68 HG2 GLU 76 6.909 17.648 2.965 592 HG3 GLU 68 HG3 GLU 76 6.329 18.680 4.260 593 H CYS 69 H CYS 77 7.047 13.784 4.869 594 HA CYS 69 HA CYS 77 9.054 12.953 6.882 595 HB2 CYS 69 HB2 CYS 77 6.184 11.956 6.620 596 HB3 CYS 69 HB3 CYS 77 7.431 10.928 7.312 597 HG CYS 69 HG CYS 77 8.244 12.713 9.082 598 H GLU 70 H GLU 78 10.015 10.933 6.425 599 HA GLU 70 HA GLU 78 10.233 10.502 3.512 600 HB2 GLU 70 HB2 GLU 78 12.100 11.317 5.084 601 HB3 GLU 70 HB3 GLU 78 12.124 9.709 5.748 602 HG2 GLU 70 HG2 GLU 78 12.765 8.755 3.591 603 HG3 GLU 70 HG3 GLU 78 12.498 10.273 2.766 604 H LEU 71 H LEU 79 9.622 8.652 2.560 605 HA LEU 71 HA LEU 79 8.695 6.370 4.257 606 HB2 LEU 71 HB2 LEU 79 7.586 7.513 1.645 607 HB3 LEU 71 HB3 LEU 79 7.021 6.056 2.408 608 HG LEU 71 HG LEU 79 6.836 8.848 3.582 609 HD11 LEU 71 HD11 LEU 79 4.710 9.041 2.805 610 HD12 LEU 71 HD12 LEU 79 5.219 7.864 1.602 611 HD13 LEU 71 HD13 LEU 79 4.321 7.348 3.015 612 HD21 LEU 71 HD21 LEU 79 5.124 7.264 5.120 613 HD22 LEU 71 HD22 LEU 79 6.509 6.215 4.901 614 HD23 LEU 71 HD23 LEU 79 6.720 7.811 5.600 615 H GLU 72 H GLU 80 9.427 4.421 3.833 616 HA GLU 72 HA GLU 80 11.437 3.966 1.752 617 HB2 GLU 72 HB2 GLU 80 11.651 3.323 4.225 618 HB3 GLU 72 HB3 GLU 80 10.376 2.170 3.987 619 HG2 GLU 72 HG2 GLU 80 11.949 1.245 2.030 620 HG3 GLU 72 HG3 GLU 80 13.193 2.133 2.854 621 H THR 73 H THR 81 10.992 2.830 -0.130 622 HA THR 73 HA THR 81 8.395 1.505 -0.566 623 HB THR 73 HB THR 81 9.152 1.249 -2.840 624 HG1 THR 73 HG1 THR 81 11.282 1.958 -3.430 625 HG21 THR 73 HG21 THR 81 9.593 3.525 -3.601 626 HG22 THR 73 HG22 THR 81 8.378 3.538 -2.328 627 HG23 THR 73 HG23 THR 81 10.027 4.038 -1.978 628 H MET 74 H MET 82 8.742 -0.687 -1.964 629 HA MET 74 HA MET 82 9.608 -2.720 -0.219 630 HB2 MET 74 HB2 MET 82 9.083 -2.799 -3.218 631 HB3 MET 74 HB3 MET 82 9.314 -4.213 -2.234 632 HG2 MET 74 HG2 MET 82 7.307 -3.457 -0.821 633 HG3 MET 74 HG3 MET 82 7.010 -2.232 -2.039 634 HE1 MET 74 HE1 MET 82 4.189 -4.863 -2.734 635 HE2 MET 74 HE2 MET 82 4.864 -4.369 -1.175 636 HE3 MET 74 HE3 MET 82 4.555 -3.157 -2.434 637 H THR 75 H THR 83 11.443 -1.018 -2.737 638 HA THR 75 HA THR 83 13.686 -2.917 -2.692 639 HB THR 75 HB THR 83 14.677 -1.255 -4.316 640 HG1 THR 75 HG1 THR 83 13.324 0.399 -5.060 641 HG21 THR 75 HG21 THR 83 13.139 -1.649 -6.184 642 HG22 THR 75 HG22 THR 83 13.277 -3.104 -5.200 643 HG23 THR 75 HG23 THR 83 11.846 -2.083 -5.064 644 H GLY 76 H GLY 84 12.686 -0.301 -0.710 645 HA2 GLY 76 HA2 GLY 84 13.883 0.338 1.190 646 HA3 GLY 76 HA3 GLY 84 15.405 -0.083 0.464 647 H GLU 77 H GLU 85 13.486 1.749 -1.786 648 HA GLU 77 HA GLU 85 15.220 4.033 -1.700 649 HB2 GLU 77 HB2 GLU 85 12.546 3.582 -3.085 650 HB3 GLU 77 HB3 GLU 85 13.565 4.951 -3.365 651 HG2 GLU 77 HG2 GLU 85 15.332 3.628 -4.343 652 HG3 GLU 77 HG3 GLU 85 14.614 2.127 -3.842 653 H LYS 78 H LYS 86 15.176 5.541 -0.140 654 HA LYS 78 HA LYS 86 12.661 6.212 1.249 655 HB2 LYS 78 HB2 LYS 86 15.601 6.683 1.869 656 HB3 LYS 78 HB3 LYS 86 14.328 7.527 2.695 657 HG2 LYS 78 HG2 LYS 86 13.221 5.283 3.214 658 HG3 LYS 78 HG3 LYS 86 14.663 4.505 2.622 659 HD2 LYS 78 HD2 LYS 86 16.012 5.611 4.377 660 HD3 LYS 78 HD3 LYS 86 14.629 6.544 4.899 661 HE2 LYS 78 HE2 LYS 86 13.423 4.393 5.485 662 HE3 LYS 78 HE3 LYS 86 14.854 3.485 5.029 663 HZ1 LYS 78 HZ1 LYS 86 14.747 3.881 7.362 664 HZ2 LYS 78 HZ2 LYS 86 16.055 4.666 6.735 665 HZ3 LYS 78 HZ3 LYS 86 14.701 5.516 7.144 666 H VAL 79 H VAL 87 11.513 7.898 0.794 667 HA VAL 79 HA VAL 87 12.600 10.193 -0.720 668 HB VAL 79 HB VAL 87 10.386 9.990 -2.091 669 HG11 VAL 79 HG11 VAL 87 11.466 8.689 -3.860 670 HG12 VAL 79 HG12 VAL 87 12.620 9.784 -3.111 671 HG13 VAL 79 HG13 VAL 87 12.655 8.065 -2.722 672 HG21 VAL 79 HG21 VAL 87 9.528 7.744 -2.545 673 HG22 VAL 79 HG22 VAL 87 10.633 7.024 -1.394 674 HG23 VAL 79 HG23 VAL 87 9.343 8.074 -0.829 675 H LYS 80 H LYS 88 11.942 12.043 0.055 676 HA LYS 80 HA LYS 88 10.049 12.277 2.203 677 HB2 LYS 80 HB2 LYS 88 11.810 14.165 0.634 678 HB3 LYS 80 HB3 LYS 88 10.591 14.816 1.691 679 HG2 LYS 80 HG2 LYS 88 11.500 13.923 3.655 680 HG3 LYS 80 HG3 LYS 88 12.461 12.733 2.823 681 HD2 LYS 80 HD2 LYS 88 14.040 14.326 2.023 682 HD3 LYS 80 HD3 LYS 88 13.026 15.688 2.397 683 HE2 LYS 80 HE2 LYS 88 14.156 13.837 4.569 684 HE3 LYS 80 HE3 LYS 88 15.012 15.248 3.976 685 HZ1 LYS 80 HZ1 LYS 88 13.769 15.788 5.899 686 HZ2 LYS 80 HZ2 LYS 88 13.178 16.621 4.603 687 HZ3 LYS 80 HZ3 LYS 88 12.356 15.320 5.193 688 H THR 81 H THR 89 7.995 12.862 2.222 689 HA THR 81 HA THR 89 6.625 14.191 0.050 690 HB THR 81 HB THR 89 6.721 11.797 -0.788 691 HG1 THR 81 HG1 THR 89 4.417 11.549 -0.936 692 HG21 THR 81 HG21 THR 89 5.310 10.061 0.353 693 HG22 THR 81 HG22 THR 89 6.713 10.491 1.330 694 HG23 THR 81 HG23 THR 89 5.109 11.097 1.735 695 H VAL 82 H VAL 90 4.182 14.268 0.636 696 HA VAL 82 HA VAL 90 3.707 14.099 3.580 697 HB VAL 82 HB VAL 90 2.300 16.184 1.863 698 HG11 VAL 82 HG11 VAL 90 1.942 17.277 4.043 699 HG12 VAL 82 HG12 VAL 90 1.438 15.593 4.189 700 HG13 VAL 82 HG13 VAL 90 2.973 16.101 4.836 701 HG21 VAL 82 HG21 VAL 90 3.861 17.949 2.646 702 HG22 VAL 82 HG22 VAL 90 4.907 16.711 3.323 703 HG23 VAL 82 HG23 VAL 90 4.681 16.827 1.576 704 H VAL 83 H VAL 91 1.715 13.277 4.124 705 HA VAL 83 HA VAL 91 -0.020 12.247 1.918 706 HB VAL 83 HB VAL 91 0.180 11.255 4.785 707 HG11 VAL 83 HG11 VAL 91 -0.997 9.246 3.940 708 HG12 VAL 83 HG12 VAL 91 -1.946 10.692 3.655 709 HG13 VAL 83 HG13 VAL 91 -1.068 9.950 2.326 710 HG21 VAL 83 HG21 VAL 91 1.448 9.269 3.948 711 HG22 VAL 83 HG22 VAL 91 1.640 10.049 2.392 712 HG23 VAL 83 HG23 VAL 91 2.374 10.747 3.827 713 H GLN 84 H GLN 92 -1.987 13.173 1.789 714 HA GLN 84 HA GLN 92 -3.131 14.707 4.090 715 HB2 GLN 84 HB2 GLN 92 -2.995 15.238 1.108 716 HB3 GLN 84 HB3 GLN 92 -4.517 15.553 1.856 717 HG2 GLN 84 HG2 GLN 92 -3.576 17.614 2.018 718 HG3 GLN 84 HG3 GLN 92 -3.284 17.001 3.621 719 HE21 GLN 84 HE21 GLN 92 -1.056 16.235 4.108 720 HE22 GLN 84 HE22 GLN 92 0.285 16.888 3.203 721 H LEU 85 H LEU 93 -5.213 14.283 4.712 722 HA LEU 85 HA LEU 93 -6.659 12.028 3.451 723 HB2 LEU 85 HB2 LEU 93 -6.301 12.274 6.029 724 HB3 LEU 85 HB3 LEU 93 -7.361 13.633 5.941 725 HG LEU 85 HG LEU 93 -9.062 11.954 4.823 726 HD11 LEU 85 HD11 LEU 93 -8.841 9.646 5.211 727 HD12 LEU 85 HD12 LEU 93 -7.249 10.109 4.639 728 HD13 LEU 85 HD13 LEU 93 -7.515 9.853 6.353 729 HD21 LEU 85 HD21 LEU 93 -10.062 11.454 6.927 730 HD22 LEU 85 HD22 LEU 93 -8.522 11.538 7.779 731 HD23 LEU 85 HD23 LEU 93 -9.257 13.002 7.134 732 H GLU 86 H GLU 94 -8.516 12.401 2.235 733 HA GLU 86 HA GLU 94 -9.393 15.170 1.730 734 HB2 GLU 86 HB2 GLU 94 -10.664 14.219 -0.100 735 HB3 GLU 86 HB3 GLU 94 -9.003 13.727 -0.178 736 HG2 GLU 86 HG2 GLU 94 -9.578 11.497 0.738 737 HG3 GLU 86 HG3 GLU 94 -11.256 11.950 0.914 738 H GLY 87 H GLY 95 -9.972 13.439 4.313 739 HA2 GLY 87 HA2 GLY 95 -11.576 13.551 5.928 740 HA3 GLY 87 HA3 GLY 95 -12.526 14.619 4.915 741 H ASP 88 H ASP 96 -11.676 11.579 3.392 742 HA ASP 88 HA ASP 96 -14.272 10.316 4.052 743 HB2 ASP 88 HB2 ASP 96 -14.507 11.879 2.010 744 HB3 ASP 88 HB3 ASP 96 -13.317 10.884 1.207 745 H ASN 89 H ASN 97 -12.102 9.373 5.214 746 HA ASN 89 HA ASN 97 -10.837 7.620 5.567 747 HB2 ASN 89 HB2 ASN 97 -12.061 5.409 4.229 748 HB3 ASN 89 HB3 ASN 97 -12.179 5.882 5.867 749 HD21 ASN 89 HD21 ASN 97 -13.926 5.171 3.120 750 HD22 ASN 89 HD22 ASN 97 -15.433 5.955 3.526 751 H LYS 90 H LYS 98 -10.021 9.138 3.207 752 HA LYS 90 HA LYS 98 -8.514 7.120 1.625 753 HB2 LYS 90 HB2 LYS 98 -10.341 9.420 0.828 754 HB3 LYS 90 HB3 LYS 98 -9.134 8.842 -0.292 755 HG2 LYS 90 HG2 LYS 98 -10.126 6.745 -0.515 756 HG3 LYS 90 HG3 LYS 98 -11.069 6.858 0.939 757 HD2 LYS 90 HD2 LYS 98 -12.703 7.142 -0.644 758 HD3 LYS 90 HD3 LYS 98 -12.317 8.809 -0.335 759 HE2 LYS 90 HE2 LYS 98 -10.979 9.001 -2.361 760 HE3 LYS 90 HE3 LYS 98 -11.003 7.271 -2.619 761 HZ1 LYS 90 HZ1 LYS 98 -12.595 8.357 -3.981 762 HZ2 LYS 90 HZ2 LYS 98 -13.343 7.345 -2.914 763 HZ3 LYS 90 HZ3 LYS 98 -13.370 8.981 -2.662 764 H LEU 91 H LEU 99 -6.395 7.485 1.645 765 HA LEU 91 HA LEU 99 -5.335 10.187 2.300 766 HB2 LEU 91 HB2 LEU 99 -4.240 7.365 2.652 767 HB3 LEU 91 HB3 LEU 99 -3.202 8.743 2.739 768 HG LEU 91 HG LEU 99 -5.627 8.376 4.529 769 HD11 LEU 91 HD11 LEU 99 -3.694 7.930 6.292 770 HD12 LEU 91 HD12 LEU 99 -4.306 6.623 5.297 771 HD13 LEU 91 HD13 LEU 99 -2.789 7.428 4.881 772 HD21 LEU 91 HD21 LEU 99 -5.165 10.389 5.485 773 HD22 LEU 91 HD22 LEU 99 -3.447 10.084 5.571 774 HD23 LEU 91 HD23 LEU 99 -4.143 10.731 4.106 775 H VAL 92 H VAL 100 -4.161 11.275 0.825 776 HA VAL 92 HA VAL 100 -3.384 9.932 -1.736 777 HB VAL 92 HB VAL 100 -4.301 12.798 -1.195 778 HG11 VAL 92 HG11 VAL 100 -4.196 13.115 -3.693 779 HG12 VAL 92 HG12 VAL 100 -2.613 12.937 -2.973 780 HG13 VAL 92 HG13 VAL 100 -3.347 11.581 -3.829 781 HG21 VAL 92 HG21 VAL 100 -6.215 12.251 -2.702 782 HG22 VAL 92 HG22 VAL 100 -5.676 10.575 -2.768 783 HG23 VAL 92 HG23 VAL 100 -6.228 11.274 -1.249 784 H THR 93 H THR 101 -1.282 10.197 -2.403 785 HA THR 93 HA THR 101 0.452 12.239 -1.290 786 HB THR 93 HB THR 101 0.568 10.572 0.503 787 HG1 THR 93 HG1 THR 101 2.454 11.622 0.080 788 HG21 THR 93 HG21 THR 101 1.494 8.330 0.263 789 HG22 THR 93 HG22 THR 101 0.064 8.444 -0.746 790 HG23 THR 93 HG23 THR 101 1.680 8.523 -1.471 791 H THR 94 H THR 102 2.422 12.504 -2.460 792 HA THR 94 HA THR 102 2.795 10.949 -4.943 793 HB THR 94 HB THR 102 3.047 13.235 -6.160 794 HG1 THR 94 HG1 THR 102 2.970 14.513 -4.301 795 HG21 THR 94 HG21 THR 102 0.608 13.538 -6.627 796 HG22 THR 94 HG22 THR 102 1.167 11.894 -6.813 797 HG23 THR 94 HG23 THR 102 0.230 12.351 -5.383 798 H PHE 95 H PHE 103 4.869 10.705 -5.405 799 HA PHE 95 HA PHE 103 6.923 11.982 -3.706 800 HB2 PHE 95 HB2 PHE 103 7.110 9.601 -5.632 801 HB3 PHE 95 HB3 PHE 103 8.322 10.122 -4.495 802 HD1 PHE 95 HD1 PHE 103 5.093 8.378 -4.922 803 HD2 PHE 95 HD2 PHE 103 7.938 9.827 -2.022 804 HE1 PHE 95 HE1 PHE 103 4.029 7.015 -3.174 805 HE2 PHE 95 HE2 PHE 103 6.880 8.415 -0.316 806 HZ PHE 95 HZ PHE 103 4.931 7.044 -0.867 807 H LYS 96 H LYS 104 6.598 10.991 -7.142 808 HA LYS 96 HA LYS 104 7.983 13.417 -8.124 809 HB2 LYS 96 HB2 LYS 104 8.819 10.506 -8.630 810 HB3 LYS 96 HB3 LYS 104 9.343 11.852 -9.607 811 HG2 LYS 96 HG2 LYS 104 10.433 12.899 -7.637 812 HG3 LYS 96 HG3 LYS 104 9.938 11.560 -6.631 813 HD2 LYS 96 HD2 LYS 104 11.231 9.964 -7.995 814 HD3 LYS 96 HD3 LYS 104 11.691 11.219 -9.109 815 HE2 LYS 96 HE2 LYS 104 12.465 11.187 -6.140 816 HE3 LYS 96 HE3 LYS 104 13.492 10.626 -7.446 817 HZ1 LYS 96 HZ1 LYS 104 14.013 12.849 -6.849 818 HZ2 LYS 96 HZ2 LYS 104 13.436 12.810 -8.393 819 HZ3 LYS 96 HZ3 LYS 104 12.478 13.361 -7.169 820 H ASN 97 H ASN 105 7.011 10.261 -9.488 821 HA ASN 97 HA ASN 105 4.903 11.527 -11.172 822 HB2 ASN 97 HB2 ASN 105 5.650 10.183 -13.035 823 HB3 ASN 97 HB3 ASN 105 6.994 11.130 -12.470 824 HD21 ASN 97 HD21 ASN 105 6.943 8.633 -14.091 825 HD22 ASN 97 HD22 ASN 105 7.952 7.503 -13.230 826 H ILE 98 H ILE 106 5.394 9.427 -8.664 827 HA ILE 98 HA ILE 106 3.423 7.375 -9.483 828 HB ILE 98 HB ILE 106 5.220 7.695 -7.046 829 HG12 ILE 98 HG12 ILE 106 5.459 5.494 -9.086 830 HG13 ILE 98 HG13 ILE 106 6.240 7.016 -9.377 831 HG21 ILE 98 HG21 ILE 106 4.565 5.334 -6.450 832 HG22 ILE 98 HG22 ILE 106 3.221 6.437 -6.306 833 HG23 ILE 98 HG23 ILE 106 3.337 5.382 -7.712 834 HD11 ILE 98 HD11 ILE 106 7.906 5.661 -8.349 835 HD12 ILE 98 HD12 ILE 106 7.406 6.787 -7.094 836 HD13 ILE 98 HD13 ILE 106 6.826 5.121 -7.072 837 H LYS 99 H LYS 107 1.352 8.032 -9.194 838 HA LYS 99 HA LYS 107 0.623 9.853 -6.969 839 HB2 LYS 99 HB2 LYS 107 0.147 10.491 -9.331 840 HB3 LYS 99 HB3 LYS 107 -0.842 9.075 -9.528 841 HG2 LYS 99 HG2 LYS 107 -2.383 9.950 -7.704 842 HG3 LYS 99 HG3 LYS 107 -1.353 11.349 -7.550 843 HD2 LYS 99 HD2 LYS 107 -1.812 11.806 -10.061 844 HD3 LYS 99 HD3 LYS 107 -2.968 10.508 -10.004 845 HE2 LYS 99 HE2 LYS 107 -4.203 12.563 -9.737 846 HE3 LYS 99 HE3 LYS 107 -4.240 11.752 -8.182 847 HZ1 LYS 99 HZ1 LYS 107 -3.737 14.071 -7.984 848 HZ2 LYS 99 HZ2 LYS 107 -2.439 13.186 -7.484 849 HZ3 LYS 99 HZ3 LYS 107 -2.414 13.927 -8.956 850 H SER 100 H SER 108 0.386 8.664 -5.196 851 HA SER 100 HA SER 108 -1.090 6.141 -5.130 852 HB2 SER 100 HB2 SER 108 0.931 6.527 -3.751 853 HB3 SER 100 HB3 SER 108 0.190 7.917 -3.017 854 HG SER 100 HG SER 108 -0.925 6.760 -1.729 855 H VAL 101 H VAL 109 -3.200 5.947 -4.708 856 HA VAL 101 HA VAL 109 -4.652 7.995 -3.135 857 HB VAL 101 HB VAL 109 -5.687 6.665 -5.690 858 HG11 VAL 101 HG11 VAL 109 -7.769 8.020 -5.314 859 HG12 VAL 101 HG12 VAL 109 -7.553 6.800 -4.082 860 HG13 VAL 101 HG13 VAL 109 -7.166 8.481 -3.725 861 HG21 VAL 101 HG21 VAL 109 -5.941 8.994 -6.559 862 HG22 VAL 101 HG22 VAL 109 -5.090 9.602 -5.141 863 HG23 VAL 101 HG23 VAL 109 -4.266 8.555 -6.296 864 H THR 102 H THR 110 -4.733 6.823 -1.318 865 HA THR 102 HA THR 110 -5.443 3.972 -1.241 866 HB THR 102 HB THR 110 -5.060 6.063 0.969 867 HG1 THR 102 HG1 THR 110 -3.037 4.985 1.183 868 HG21 THR 102 HG21 THR 110 -4.665 4.137 2.506 869 HG22 THR 102 HG22 THR 110 -6.303 4.147 1.922 870 HG23 THR 102 HG23 THR 110 -5.140 3.017 1.229 871 H GLU 103 H GLU 111 -7.397 3.205 -0.370 872 HA GLU 103 HA GLU 111 -9.450 5.035 0.576 873 HB2 GLU 103 HB2 GLU 111 -9.855 4.994 -1.875 874 HB3 GLU 103 HB3 GLU 111 -9.756 3.271 -1.910 875 HG2 GLU 103 HG2 GLU 111 -11.835 3.069 -0.545 876 HG3 GLU 103 HG3 GLU 111 -11.955 4.808 -0.440 877 H LEU 104 H LEU 112 -10.495 4.245 2.229 878 HA LEU 104 HA LEU 112 -10.380 1.316 2.792 879 HB2 LEU 104 HB2 LEU 112 -9.090 2.892 4.282 880 HB3 LEU 104 HB3 LEU 112 -10.565 3.660 4.768 881 HG LEU 104 HG LEU 112 -10.080 0.665 5.069 882 HD11 LEU 104 HD11 LEU 112 -9.578 1.431 7.582 883 HD12 LEU 104 HD12 LEU 112 -8.311 1.371 6.374 884 HD13 LEU 104 HD13 LEU 112 -9.069 2.910 6.775 885 HD21 LEU 104 HD21 LEU 112 -11.732 1.500 7.180 886 HD22 LEU 104 HD22 LEU 112 -12.329 2.395 5.798 887 HD23 LEU 104 HD23 LEU 112 -12.201 0.648 5.721 888 H ASN 105 H ASN 113 -12.306 0.311 2.837 889 HA ASN 105 HA ASN 113 -14.823 1.833 3.139 890 HB2 ASN 105 HB2 ASN 113 -13.987 -0.038 0.862 891 HB3 ASN 105 HB3 ASN 113 -15.637 -0.075 1.405 892 HD21 ASN 105 HD21 ASN 113 -13.526 2.855 0.981 893 HD22 ASN 105 HD22 ASN 113 -14.602 3.575 -0.189 894 H GLY 106 H GLY 114 -14.607 1.112 5.351 895 HA2 GLY 106 HA2 GLY 114 -15.164 -0.204 7.119 896 HA3 GLY 106 HA3 GLY 114 -16.016 -1.252 6.004 897 H ASP 107 H ASP 115 -15.220 -3.300 5.760 898 HA ASP 107 HA ASP 115 -12.656 -4.058 6.921 899 HB2 ASP 107 HB2 ASP 115 -13.406 -6.411 6.280 900 HB3 ASP 107 HB3 ASP 115 -14.283 -5.630 7.531 901 H ILE 108 H ILE 116 -13.434 -2.841 3.865 902 HA ILE 108 HA ILE 116 -11.433 -4.584 2.474 903 HB ILE 108 HB ILE 116 -13.527 -2.701 1.303 904 HG12 ILE 108 HG12 ILE 116 -14.778 -4.446 2.332 905 HG13 ILE 108 HG13 ILE 116 -14.818 -4.679 0.621 906 HG21 ILE 108 HG21 ILE 116 -13.072 -3.919 -0.853 907 HG22 ILE 108 HG22 ILE 116 -11.719 -2.963 -0.303 908 HG23 ILE 108 HG23 ILE 116 -11.697 -4.707 -0.088 909 HD11 ILE 108 HD11 ILE 116 -14.478 -6.871 1.465 910 HD12 ILE 108 HD12 ILE 116 -12.829 -6.419 1.050 911 HD13 ILE 108 HD13 ILE 116 -13.380 -6.330 2.722 912 H ILE 109 H ILE 117 -9.626 -3.688 1.610 913 HA ILE 109 HA ILE 117 -9.233 -0.719 1.694 914 HB ILE 109 HB ILE 117 -7.125 -2.922 1.523 915 HG12 ILE 109 HG12 ILE 117 -7.975 -3.067 3.701 916 HG13 ILE 109 HG13 ILE 117 -6.422 -2.309 3.811 917 HG21 ILE 109 HG21 ILE 117 -5.467 -1.088 1.978 918 HG22 ILE 109 HG22 ILE 117 -6.259 -0.919 0.429 919 HG23 ILE 109 HG23 ILE 117 -6.753 0.095 1.778 920 HD11 ILE 109 HD11 ILE 117 -7.562 -0.811 5.180 921 HD12 ILE 109 HD12 ILE 117 -8.105 -0.062 3.691 922 HD13 ILE 109 HD13 ILE 117 -9.118 -1.256 4.503 923 H THR 110 H THR 118 -8.901 0.243 -0.209 924 HA THR 110 HA THR 118 -8.401 -1.332 -2.696 925 HB THR 110 HB THR 118 -10.291 1.043 -2.217 926 HG1 THR 110 HG1 THR 118 -11.788 -0.415 -3.104 927 HG21 THR 110 HG21 THR 118 -10.835 0.900 -4.672 928 HG22 THR 110 HG22 THR 118 -9.202 1.473 -4.409 929 HG23 THR 110 HG23 THR 118 -9.476 -0.199 -4.900 930 H ASN 111 H ASN 119 -6.357 -0.759 -3.317 931 HA ASN 111 HA ASN 119 -5.418 2.068 -2.864 932 HB2 ASN 111 HB2 ASN 119 -4.297 0.089 -1.522 933 HB3 ASN 111 HB3 ASN 119 -3.612 -0.393 -3.048 934 HD21 ASN 111 HD21 ASN 119 -3.728 2.060 -0.496 935 HD22 ASN 111 HD22 ASN 119 -2.350 2.989 -1.015 936 H THR 112 H THR 120 -5.075 3.191 -4.601 937 HA THR 112 HA THR 120 -4.637 1.816 -7.223 938 HB THR 112 HB THR 120 -6.273 4.321 -6.560 939 HG1 THR 112 HG1 THR 120 -7.323 2.390 -6.202 940 HG21 THR 112 HG21 THR 120 -6.862 4.345 -9.013 941 HG22 THR 112 HG22 THR 120 -5.179 4.753 -8.745 942 HG23 THR 112 HG23 THR 120 -5.610 3.144 -9.313 943 H MET 113 H MET 121 -2.582 2.163 -7.768 944 HA MET 113 HA MET 121 -1.262 4.787 -7.225 945 HB2 MET 113 HB2 MET 121 -0.087 2.055 -7.880 946 HB3 MET 113 HB3 MET 121 0.828 3.526 -7.725 947 HG2 MET 113 HG2 MET 121 0.102 3.712 -5.316 948 HG3 MET 113 HG3 MET 121 -0.787 2.219 -5.486 949 HE1 MET 113 HE1 MET 121 3.827 2.590 -5.467 950 HE2 MET 113 HE2 MET 121 2.919 3.110 -6.888 951 HE3 MET 113 HE3 MET 121 2.683 3.933 -5.338 952 H THR 114 H THR 122 -0.300 5.861 -9.005 953 HA THR 114 HA THR 122 -0.571 4.666 -11.697 954 HB THR 114 HB THR 122 -1.634 7.420 -10.914 955 HG1 THR 114 HG1 THR 122 -3.520 6.533 -11.908 956 HG21 THR 114 HG21 THR 122 -2.287 7.652 -13.351 957 HG22 THR 114 HG22 THR 122 -0.553 7.730 -13.120 958 HG23 THR 114 HG23 THR 122 -1.285 6.253 -13.728 959 H LEU 115 H LEU 123 1.506 4.460 -12.196 960 HA LEU 115 HA LEU 123 3.429 6.704 -11.787 961 HB2 LEU 115 HB2 LEU 123 3.961 4.555 -10.740 962 HB3 LEU 115 HB3 LEU 123 3.894 3.712 -12.258 963 HG LEU 115 HG LEU 123 5.836 5.981 -11.616 964 HD11 LEU 115 HD11 LEU 123 7.263 4.563 -10.576 965 HD12 LEU 115 HD12 LEU 123 5.922 3.442 -10.430 966 HD13 LEU 115 HD13 LEU 123 7.043 3.287 -11.761 967 HD21 LEU 115 HD21 LEU 123 7.203 4.700 -13.529 968 HD22 LEU 115 HD22 LEU 123 5.606 4.185 -14.038 969 HD23 LEU 115 HD23 LEU 123 6.005 5.902 -13.943 970 H GLY 116 H GLY 124 3.068 8.007 -13.551 971 HA2 GLY 116 HA2 GLY 124 3.100 8.730 -15.716 972 HA3 GLY 116 HA3 GLY 124 4.035 7.298 -16.117 973 H ASP 117 H ASP 125 3.068 6.143 -17.723 974 HA ASP 117 HA ASP 125 0.172 6.134 -18.151 975 HB2 ASP 117 HB2 ASP 125 2.460 4.986 -19.780 976 HB3 ASP 117 HB3 ASP 125 0.790 4.805 -20.258 977 H ILE 118 H ILE 126 1.905 4.377 -15.979 978 HA ILE 118 HA ILE 126 0.403 1.835 -16.477 979 HB ILE 118 HB ILE 126 2.671 2.489 -14.554 980 HG12 ILE 118 HG12 ILE 126 2.963 0.488 -16.790 981 HG13 ILE 118 HG13 ILE 126 3.085 2.165 -17.196 982 HG21 ILE 118 HG21 ILE 126 2.785 0.001 -14.161 983 HG22 ILE 118 HG22 ILE 126 1.355 0.737 -13.485 984 HG23 ILE 118 HG23 ILE 126 1.253 -0.174 -14.991 985 HD11 ILE 118 HD11 ILE 126 5.295 1.081 -16.638 986 HD12 ILE 118 HD12 ILE 126 4.955 2.565 -15.755 987 HD13 ILE 118 HD13 ILE 126 4.774 1.007 -14.953 988 H VAL 119 H VAL 127 -1.163 1.176 -15.027 989 HA VAL 119 HA VAL 127 -1.755 2.888 -12.650 990 HB VAL 119 HB VAL 127 -3.768 1.771 -14.654 991 HG11 VAL 119 HG11 VAL 127 -5.475 3.016 -13.314 992 HG12 VAL 119 HG12 VAL 127 -4.734 1.736 -12.375 993 HG13 VAL 119 HG13 VAL 127 -4.246 3.405 -12.114 994 HG21 VAL 119 HG21 VAL 127 -4.331 4.144 -15.140 995 HG22 VAL 119 HG22 VAL 127 -2.988 4.668 -14.133 996 HG23 VAL 119 HG23 VAL 127 -2.689 3.763 -15.614 997 H PHE 120 H PHE 128 -0.980 1.510 -11.142 998 HA PHE 120 HA PHE 128 -1.609 -1.356 -11.138 999 HB2 PHE 120 HB2 PHE 128 0.618 -0.766 -10.641 1000 HB3 PHE 120 HB3 PHE 128 0.180 0.490 -9.536 1001 HD1 PHE 120 HD1 PHE 128 0.704 -0.001 -7.307 1002 HD2 PHE 120 HD2 PHE 128 -0.490 -3.226 -9.892 1003 HE1 PHE 120 HE1 PHE 128 1.024 -1.606 -5.469 1004 HE2 PHE 120 HE2 PHE 128 -0.240 -4.792 -8.022 1005 HZ PHE 120 HZ PHE 128 0.581 -3.999 -5.831 1006 H LYS 121 H LYS 129 -3.045 -2.369 -9.828 1007 HA LYS 121 HA LYS 129 -4.472 -0.816 -7.720 1008 HB2 LYS 121 HB2 LYS 129 -5.522 -2.753 -9.801 1009 HB3 LYS 121 HB3 LYS 129 -6.257 -2.734 -8.243 1010 HG2 LYS 121 HG2 LYS 129 -7.565 -1.373 -9.606 1011 HG3 LYS 121 HG3 LYS 129 -6.849 -0.389 -8.369 1012 HD2 LYS 121 HD2 LYS 129 -5.465 0.780 -9.857 1013 HD3 LYS 121 HD3 LYS 129 -5.443 -0.489 -11.051 1014 HE2 LYS 121 HE2 LYS 129 -7.979 1.098 -10.370 1015 HE3 LYS 121 HE3 LYS 129 -6.865 1.616 -11.612 1016 HZ1 LYS 121 HZ1 LYS 129 -8.648 0.295 -12.498 1017 HZ2 LYS 121 HZ2 LYS 129 -7.188 -0.423 -12.765 1018 HZ3 LYS 121 HZ3 LYS 129 -8.181 -1.007 -11.598 1019 H ARG 122 H ARG 130 -4.927 -1.836 -5.847 1020 HA ARG 122 HA ARG 130 -4.172 -4.631 -5.369 1021 HB2 ARG 122 HB2 ARG 130 -2.816 -2.207 -4.263 1022 HB3 ARG 122 HB3 ARG 130 -3.408 -3.226 -2.995 1023 HG2 ARG 122 HG2 ARG 130 -1.691 -4.188 -5.266 1024 HG3 ARG 122 HG3 ARG 130 -1.023 -3.709 -3.725 1025 HD2 ARG 122 HD2 ARG 130 -2.656 -5.565 -2.719 1026 HD3 ARG 122 HD3 ARG 130 -2.756 -6.136 -4.366 1027 HE ARG 122 HE ARG 130 -0.406 -6.244 -2.694 1028 HH11 ARG 122 HH11 ARG 130 -1.422 -6.179 -6.086 1029 HH12 ARG 122 HH12 ARG 130 0.022 -6.989 -6.650 1030 HH21 ARG 122 HH21 ARG 130 1.450 -7.303 -3.446 1031 HH22 ARG 122 HH22 ARG 130 1.641 -7.647 -5.148 1032 H ILE 123 H ILE 131 -5.653 -5.635 -4.118 1033 HA ILE 123 HA ILE 131 -7.583 -4.017 -2.543 1034 HB ILE 123 HB ILE 131 -8.227 -6.531 -4.152 1035 HG12 ILE 123 HG12 ILE 131 -9.981 -4.841 -5.197 1036 HG13 ILE 123 HG13 ILE 131 -8.890 -3.607 -4.663 1037 HG21 ILE 123 HG21 ILE 131 -10.587 -6.165 -3.421 1038 HG22 ILE 123 HG22 ILE 131 -9.555 -6.501 -2.058 1039 HG23 ILE 123 HG23 ILE 131 -10.061 -4.845 -2.384 1040 HD11 ILE 123 HD11 ILE 131 -7.663 -3.951 -6.584 1041 HD12 ILE 123 HD12 ILE 131 -7.348 -5.621 -6.137 1042 HD13 ILE 123 HD13 ILE 131 -8.785 -5.222 -7.060 1043 H SER 124 H SER 132 -7.799 -4.715 -0.496 1044 HA SER 124 HA SER 132 -6.899 -7.418 0.296 1045 HB2 SER 124 HB2 SER 132 -5.978 -4.771 1.572 1046 HB3 SER 124 HB3 SER 132 -5.825 -6.328 2.353 1047 HG SER 124 HG SER 132 -3.950 -5.729 1.237 1048 H LYS 125 H LYS 133 -7.802 -8.063 2.416 1049 HA LYS 125 HA LYS 133 -10.217 -6.580 3.253 1050 HB2 LYS 125 HB2 LYS 133 -10.968 -8.144 1.564 1051 HB3 LYS 125 HB3 LYS 133 -10.177 -9.486 2.343 1052 HG2 LYS 125 HG2 LYS 133 -12.239 -7.957 3.924 1053 HG3 LYS 125 HG3 LYS 133 -12.806 -8.927 2.602 1054 HD2 LYS 125 HD2 LYS 133 -11.843 -10.958 3.524 1055 HD3 LYS 125 HD3 LYS 133 -11.040 -10.105 4.798 1056 HE2 LYS 125 HE2 LYS 133 -14.081 -10.331 4.448 1057 HE3 LYS 125 HE3 LYS 133 -13.110 -11.235 5.594 1058 HZ1 LYS 125 HZ1 LYS 133 -14.125 -9.405 6.648 1059 HZ2 LYS 125 HZ2 LYS 133 -12.492 -9.151 6.615 1060 HZ3 LYS 125 HZ3 LYS 133 -13.493 -8.332 5.578 1061 H ARG 126 H ARG 134 -10.788 -6.784 5.341 1062 HA ARG 126 HA ARG 134 -8.714 -6.996 7.113 1063 HB2 ARG 126 HB2 ARG 134 -10.619 -5.500 7.284 1064 HB3 ARG 126 HB3 ARG 134 -11.701 -6.805 7.675 1065 HG2 ARG 126 HG2 ARG 134 -10.700 -7.082 9.904 1066 HG3 ARG 126 HG3 ARG 134 -9.273 -6.289 9.354 1067 HD2 ARG 126 HD2 ARG 134 -10.548 -4.856 10.894 1068 HD3 ARG 126 HD3 ARG 134 -10.060 -4.109 9.402 1069 HE ARG 126 HE ARG 134 -12.325 -3.821 8.939 1070 HH11 ARG 126 HH11 ARG 134 -12.080 -6.295 11.492 1071 HH12 ARG 126 HH12 ARG 134 -13.798 -6.329 11.785 1072 HH21 ARG 126 HH21 ARG 134 -14.562 -3.882 9.352 1073 HH22 ARG 126 HH22 ARG 134 -15.208 -4.942 10.570 1074 H ILE 127 H ILE 135 -8.008 -8.335 8.672 1075 HA ILE 127 HA ILE 135 -8.630 -11.176 8.332 1076 HB ILE 127 HB ILE 135 -6.474 -9.855 10.038 1077 HG12 ILE 127 HG12 ILE 135 -6.149 -10.895 7.215 1078 HG13 ILE 127 HG13 ILE 135 -6.291 -9.212 7.588 1079 HG21 ILE 127 HG21 ILE 135 -5.316 -12.075 9.862 1080 HG22 ILE 127 HG22 ILE 135 -6.866 -12.242 10.644 1081 HG23 ILE 127 HG23 ILE 135 -6.680 -12.715 8.959 1082 HD11 ILE 127 HD11 ILE 135 -4.066 -9.112 7.840 1083 HD12 ILE 127 HD12 ILE 135 -4.182 -10.114 9.275 1084 HD13 ILE 127 HD13 ILE 135 -3.909 -10.860 7.704 1085 H2 2VN 201 H152 DRG 176 1.516 4.080 2.288 1086 H1 2VN 201 H151 DRG 176 1.238 5.777 2.034 1087 H18 2VN 201 H212 DRG 176 1.684 4.745 -2.856 1088 H17 2VN 201 H211 DRG 176 1.634 4.688 -1.131 1089 H20 2VN 201 H222 DRG 176 3.035 2.325 -1.776 1090 H19 2VN 201 H221 DRG 176 3.451 3.357 -3.096 1091 H22 2VN 201 H232 DRG 176 5.142 3.912 -1.568 1092 H21 2VN 201 H231 DRG 176 3.976 5.160 -1.294 1093 H23 2VN 201 H24 DRG 176 3.001 3.511 0.542 1094 H24 2VN 201 H251 DRG 176 3.978 5.721 1.068 1095 H25 2VN 201 H252 DRG 176 5.567 5.005 1.045 1096 H26 2VN 201 H261 DRG 176 3.496 4.888 3.192 1097 H27 2VN 201 H262 DRG 176 5.217 4.831 3.313 1098 H28 2VN 201 H271 DRG 176 3.283 2.533 2.894 1099 H29 2VN 201 H272 DRG 176 4.576 2.671 4.053 1100 H31 2VN 201 H282 DRG 176 6.225 2.540 2.170 1101 H30 2VN 201 H281 DRG 176 5.289 1.080 2.269 1102 H32 2VN 201 H291 DRG 176 5.707 2.278 -0.044 1103 H33 2VN 201 H292 DRG 176 4.185 1.511 0.254 1104 H35 2VN 201 H112 DRG 176 2.069 0.798 0.359 1105 H34 2VN 201 H111 DRG 176 2.661 0.213 -1.171 1106 H3 2VN 201 H14 DRG 176 -0.978 5.519 1.473 1107 HK6 2VN 201 H7 DRG 176 3.499 -1.894 -0.645 1108 HL7 2VN 201 H6 DRG 176 3.162 -4.170 0.178 1109 HL8 2VN 201 H8 DRG 176 -0.713 -3.093 1.668 1110 HK9 2VN 201 H9 DRG 176 -0.388 -0.804 0.856 1111 HJ2 2VN 201 H43 DRG 176 1.157 -8.772 -0.090 1112 HJ1 2VN 201 H42 DRG 176 -0.256 -7.789 0.297 1113 HJ0 2VN 201 H41 DRG 176 0.834 -8.284 1.572 1114 HJ4 2VN 201 H32 DRG 176 3.457 -7.915 0.223 1115 HJ5 2VN 201 H33 DRG 176 3.806 -6.215 0.418 1116 HJ3 2VN 201 H31 DRG 176 3.248 -7.152 1.789 1117 H4 2VN 201 H191 DRG 176 -1.096 2.997 3.122 1118 H5 2VN 201 H192 DRG 176 -2.451 3.581 2.233 1119 H7 2VN 201 H182 DRG 176 -2.253 4.174 4.754 1120 H6 2VN 201 H181 DRG 176 -2.696 5.467 3.679 1121 H9 2VN 201 H172 DRG 176 -0.718 5.737 5.514 1122 H8 2VN 201 H171 DRG 176 -0.743 6.645 4.026 1123 H11 2VN 201 H162 DRG 176 0.821 4.082 4.491 1124 H10 2VN 201 H161 DRG 176 1.509 5.675 4.361 1125 H14 2VN 201 H122 DRG 176 -0.336 0.265 -1.025 1126 H13 2VN 201 H121 DRG 176 0.727 0.644 -2.332 1127 H16 2VN 201 H202 DRG 176 0.556 2.555 -3.016 1128 H15 2VN 201 H201 DRG 176 -0.417 3.713 -2.193 1129 H12 2VN 201 HN2 DRG 176 -0.283 4.495 -0.335 Start of MODEL 2 1 H1 HIS -7 H1 HIS 1 -21.725 -4.999 4.468 2 H2 HIS -7 H2 HIS 1 -22.957 -4.318 3.671 3 H3 HIS -7 H3 HIS 1 -21.444 -3.879 3.221 4 HA HIS -7 HA HIS 1 -21.331 -3.167 5.719 5 HB2 HIS -7 HB2 HIS 1 -21.367 -1.537 3.622 6 HB3 HIS -7 HB3 HIS 1 -23.101 -1.658 3.591 7 HD1 HIS -7 HD1 HIS 1 -24.415 -0.452 5.641 8 HD2 HIS -7 HD2 HIS 1 -20.329 0.535 5.251 9 HE1 HIS -7 HE1 HIS 1 -23.968 1.646 6.982 10 H HIS -6 H HIS 2 -22.513 -2.886 7.551 11 HA HIS -6 HA HIS 2 -25.367 -2.969 7.639 12 HB2 HIS -6 HB2 HIS 2 -24.749 -5.438 7.168 13 HB3 HIS -6 HB3 HIS 2 -23.958 -5.477 8.706 14 HD1 HIS -6 HD1 HIS 2 -26.812 -6.746 7.328 15 HD2 HIS -6 HD2 HIS 2 -26.340 -4.311 10.740 16 HE1 HIS -6 HE1 HIS 2 -28.838 -7.045 8.812 17 H HIS -5 H HIS 3 -24.488 -0.946 8.565 18 HA HIS -5 HA HIS 3 -24.079 -1.157 11.477 19 HB2 HIS -5 HB2 HIS 3 -22.227 0.376 9.571 20 HB3 HIS -5 HB3 HIS 3 -22.240 0.602 11.299 21 HD1 HIS -5 HD1 HIS 3 -21.916 -1.955 12.640 22 HD2 HIS -5 HD2 HIS 3 -20.156 -1.367 8.851 23 HE1 HIS -5 HE1 HIS 3 -20.057 -3.643 12.354 24 H HIS -4 H HIS 4 -24.487 0.850 12.588 25 HA HIS -4 HA HIS 4 -26.099 2.866 11.116 26 HB2 HIS -4 HB2 HIS 4 -27.639 1.158 12.068 27 HB3 HIS -4 HB3 HIS 4 -26.941 1.373 13.649 28 HD1 HIS -4 HD1 HIS 4 -29.458 1.921 14.371 29 HD2 HIS -4 HD2 HIS 4 -27.694 4.820 11.864 30 HE1 HIS -4 HE1 HIS 4 -30.835 4.039 14.504 31 H HIS -3 H HIS 5 -24.291 4.209 11.215 32 HA HIS -3 HA HIS 5 -24.213 5.883 13.519 33 HB2 HIS -3 HB2 HIS 5 -21.921 3.958 13.066 34 HB3 HIS -3 HB3 HIS 5 -21.473 5.602 13.399 35 HD1 HIS -3 HD1 HIS 5 -21.850 2.630 15.205 36 HD2 HIS -3 HD2 HIS 5 -23.150 6.577 15.931 37 HE1 HIS -3 HE1 HIS 5 -22.304 2.879 17.682 38 H HIS -2 H HIS 6 -22.996 7.834 13.154 39 HA HIS -2 HA HIS 6 -22.475 8.501 10.304 40 HB2 HIS -2 HB2 HIS 6 -23.813 10.597 10.662 41 HB3 HIS -2 HB3 HIS 6 -24.755 9.142 10.602 42 HD1 HIS -2 HD1 HIS 6 -25.849 8.271 12.883 43 HD2 HIS -2 HD2 HIS 6 -24.104 12.105 13.099 44 HE1 HIS -2 HE1 HIS 6 -26.687 9.411 14.979 45 H VAL -1 H VAL 7 -20.364 7.923 11.499 46 HA VAL -1 HA VAL 7 -19.070 10.452 12.365 47 HB VAL -1 HB VAL 7 -17.749 9.209 14.010 48 HG11 VAL -1 HG11 VAL 7 -19.371 8.927 15.788 49 HG12 VAL -1 HG12 VAL 7 -19.803 10.320 14.807 50 HG13 VAL -1 HG13 VAL 7 -20.694 8.810 14.637 51 HG21 VAL -1 HG21 VAL 7 -18.327 6.904 14.771 52 HG22 VAL -1 HG22 VAL 7 -19.414 6.730 13.402 53 HG23 VAL -1 HG23 VAL 7 -17.683 6.915 13.143 54 H ALA 0 H ALA 8 -16.666 10.265 12.208 55 HA ALA 0 HA ALA 8 -15.816 9.390 9.635 56 HB1 ALA 0 HB1 ALA 8 -13.589 10.203 10.457 57 HB2 ALA 0 HB2 ALA 8 -14.864 11.362 10.801 58 HB3 ALA 0 HB3 ALA 8 -14.237 10.337 12.089 59 H MET 1 H MET 9 -14.407 7.755 9.001 60 HA MET 1 HA MET 9 -14.490 5.291 10.515 61 HB2 MET 1 HB2 MET 9 -13.148 6.059 7.875 62 HB3 MET 1 HB3 MET 9 -13.195 4.443 8.499 63 HG2 MET 1 HG2 MET 9 -15.634 6.102 7.709 64 HG3 MET 1 HG3 MET 9 -14.933 4.800 6.787 65 HE1 MET 1 HE1 MET 9 -15.915 1.582 8.671 66 HE2 MET 1 HE2 MET 9 -15.188 2.284 7.221 67 HE3 MET 1 HE3 MET 9 -14.366 2.421 8.785 68 H SER 2 H SER 10 -12.818 4.082 11.335 69 HA SER 2 HA SER 10 -10.287 5.461 11.987 70 HB2 SER 2 HB2 SER 10 -10.020 3.701 13.651 71 HB3 SER 2 HB3 SER 10 -11.581 4.463 13.849 72 HG SER 2 HG SER 10 -11.029 1.971 12.606 73 H PHE 3 H PHE 11 -8.417 4.930 11.054 74 HA PHE 3 HA PHE 11 -8.298 2.972 8.896 75 HB2 PHE 3 HB2 PHE 11 -6.608 5.223 9.940 76 HB3 PHE 3 HB3 PHE 11 -5.760 3.957 9.141 77 HD1 PHE 3 HD1 PHE 11 -8.161 6.710 8.681 78 HD2 PHE 3 HD2 PHE 11 -6.164 3.409 6.748 79 HE1 PHE 3 HE1 PHE 11 -8.690 7.656 6.464 80 HE2 PHE 3 HE2 PHE 11 -6.712 4.384 4.552 81 HZ PHE 3 HZ PHE 11 -7.925 6.519 4.417 82 H SER 4 H SER 12 -7.680 2.782 12.297 83 HA SER 4 HA SER 12 -5.461 1.037 12.250 84 HB2 SER 4 HB2 SER 12 -5.925 0.780 14.644 85 HB3 SER 4 HB3 SER 12 -6.026 2.457 14.164 86 HG SER 4 HG SER 12 -7.744 1.781 15.527 87 H GLY 5 H GLY 13 -5.225 -1.126 12.080 88 HA2 GLY 5 HA2 GLY 13 -6.618 -3.253 12.883 89 HA3 GLY 5 HA3 GLY 13 -7.565 -2.833 11.457 90 H LYS 6 H LYS 14 -6.362 -5.255 11.489 91 HA LYS 6 HA LYS 14 -4.003 -5.120 9.682 92 HB2 LYS 6 HB2 LYS 14 -5.240 -7.406 11.294 93 HB3 LYS 6 HB3 LYS 14 -4.073 -7.633 10.030 94 HG2 LYS 6 HG2 LYS 14 -2.896 -5.636 11.660 95 HG3 LYS 6 HG3 LYS 14 -3.588 -6.764 12.778 96 HD2 LYS 6 HD2 LYS 14 -1.725 -7.526 10.473 97 HD3 LYS 6 HD3 LYS 14 -1.198 -7.253 12.108 98 HE2 LYS 6 HE2 LYS 14 -2.546 -9.174 12.924 99 HE3 LYS 6 HE3 LYS 14 -3.212 -9.433 11.325 100 HZ1 LYS 6 HZ1 LYS 14 -1.411 -10.895 11.752 101 HZ2 LYS 6 HZ2 LYS 14 -1.013 -9.873 10.519 102 HZ3 LYS 6 HZ3 LYS 14 -0.378 -9.637 12.022 103 H TYR 7 H TYR 15 -4.012 -6.092 7.690 104 HA TYR 7 HA TYR 15 -6.578 -6.960 6.488 105 HB2 TYR 7 HB2 TYR 15 -4.722 -4.902 5.200 106 HB3 TYR 7 HB3 TYR 15 -6.281 -5.419 4.628 107 HD1 TYR 7 HD1 TYR 15 -4.453 -3.131 6.810 108 HD2 TYR 7 HD2 TYR 15 -8.371 -4.673 5.874 109 HE1 TYR 7 HE1 TYR 15 -5.493 -1.272 8.069 110 HE2 TYR 7 HE2 TYR 15 -9.406 -2.833 7.176 111 HH TYR 7 HH TYR 15 -9.044 -0.937 8.435 112 H GLN 8 H GLN 16 -6.290 -8.215 4.538 113 HA GLN 8 HA GLN 16 -3.528 -9.283 4.093 114 HB2 GLN 8 HB2 GLN 16 -4.372 -11.503 4.065 115 HB3 GLN 8 HB3 GLN 16 -4.968 -10.775 5.518 116 HG2 GLN 8 HG2 GLN 16 -7.137 -10.282 3.919 117 HG3 GLN 8 HG3 GLN 16 -6.474 -11.627 3.034 118 HE21 GLN 8 HE21 GLN 16 -8.859 -10.988 5.063 119 HE22 GLN 8 HE22 GLN 16 -8.880 -12.431 6.048 120 H LEU 9 H LEU 17 -3.014 -9.750 1.977 121 HA LEU 9 HA LEU 17 -4.207 -8.224 -0.076 122 HB2 LEU 9 HB2 LEU 17 -1.806 -9.177 0.277 123 HB3 LEU 9 HB3 LEU 17 -2.383 -10.633 -0.466 124 HG LEU 9 HG LEU 17 -2.216 -7.832 -1.628 125 HD11 LEU 9 HD11 LEU 17 -0.238 -8.403 -2.594 126 HD12 LEU 9 HD12 LEU 17 -0.168 -9.642 -1.355 127 HD13 LEU 9 HD13 LEU 17 -0.730 -10.046 -2.963 128 HD21 LEU 9 HD21 LEU 17 -2.690 -9.213 -3.892 129 HD22 LEU 9 HD22 LEU 17 -3.651 -10.184 -2.816 130 HD23 LEU 9 HD23 LEU 17 -3.949 -8.447 -2.963 131 H GLN 10 H GLN 18 -5.805 -8.648 -1.513 132 HA GLN 10 HA GLN 18 -7.038 -11.373 -1.618 133 HB2 GLN 10 HB2 GLN 18 -8.209 -8.592 -2.101 134 HB3 GLN 10 HB3 GLN 18 -9.061 -10.070 -2.438 135 HG2 GLN 10 HG2 GLN 18 -8.084 -9.219 0.339 136 HG3 GLN 10 HG3 GLN 18 -9.707 -9.035 -0.271 137 HE21 GLN 10 HE21 GLN 18 -7.504 -11.172 1.304 138 HE22 GLN 10 HE22 GLN 18 -8.549 -12.568 1.363 139 H SER 11 H SER 19 -6.228 -8.466 -3.614 140 HA SER 11 HA SER 19 -5.415 -10.136 -5.836 141 HB2 SER 11 HB2 SER 19 -8.189 -9.036 -5.698 142 HB3 SER 11 HB3 SER 19 -7.336 -8.434 -7.095 143 HG SER 11 HG SER 19 -8.364 -10.402 -7.502 144 H GLN 12 H GLN 20 -4.512 -8.943 -7.596 145 HA GLN 12 HA GLN 20 -3.908 -6.073 -7.103 146 HB2 GLN 12 HB2 GLN 20 -1.930 -8.111 -8.246 147 HB3 GLN 12 HB3 GLN 20 -1.690 -6.408 -8.007 148 HG2 GLN 12 HG2 GLN 20 -0.756 -6.767 -6.031 149 HG3 GLN 12 HG3 GLN 20 -2.274 -7.309 -5.388 150 HE21 GLN 12 HE21 GLN 20 0.817 -8.154 -5.332 151 HE22 GLN 12 HE22 GLN 20 0.730 -9.891 -5.402 152 H GLU 13 H GLU 21 -3.595 -4.890 -9.058 153 HA GLU 13 HA GLU 21 -4.263 -6.197 -11.625 154 HB2 GLU 13 HB2 GLU 21 -5.930 -4.253 -10.119 155 HB3 GLU 13 HB3 GLU 21 -5.501 -3.616 -11.673 156 HG2 GLU 13 HG2 GLU 21 -6.847 -6.325 -11.204 157 HG3 GLU 13 HG3 GLU 21 -7.678 -4.853 -11.647 158 H ASN 14 H ASN 22 -2.983 -5.553 -13.231 159 HA ASN 14 HA ASN 22 -1.151 -4.896 -14.204 160 HB2 ASN 14 HB2 ASN 22 -1.781 -2.181 -12.924 161 HB3 ASN 14 HB3 ASN 22 -0.504 -2.384 -14.078 162 HD21 ASN 14 HD21 ASN 22 -3.437 -1.141 -14.006 163 HD22 ASN 14 HD22 ASN 22 -3.997 -1.544 -15.612 164 H PHE 15 H PHE 23 -0.785 -6.339 -11.865 165 HA PHE 15 HA PHE 23 1.233 -5.311 -10.156 166 HB2 PHE 15 HB2 PHE 23 -0.158 -7.073 -9.408 167 HB3 PHE 15 HB3 PHE 23 0.240 -8.121 -10.733 168 HD1 PHE 15 HD1 PHE 23 2.295 -9.465 -10.692 169 HD2 PHE 15 HD2 PHE 23 1.531 -6.592 -7.564 170 HE1 PHE 15 HE1 PHE 23 4.173 -10.346 -9.399 171 HE2 PHE 15 HE2 PHE 23 3.424 -7.536 -6.288 172 HZ PHE 15 HZ PHE 23 4.741 -9.391 -7.200 173 H GLU 16 H GLU 24 1.619 -7.815 -12.771 174 HA GLU 16 HA GLU 24 4.447 -7.647 -12.744 175 HB2 GLU 16 HB2 GLU 24 2.624 -8.660 -14.965 176 HB3 GLU 16 HB3 GLU 24 4.340 -8.943 -14.849 177 HG2 GLU 16 HG2 GLU 24 3.862 -10.057 -12.549 178 HG3 GLU 16 HG3 GLU 24 2.170 -10.006 -12.979 179 H ALA 17 H ALA 25 2.057 -5.683 -14.479 180 HA ALA 17 HA ALA 25 3.807 -4.512 -16.395 181 HB1 ALA 17 HB1 ALA 25 2.029 -2.743 -16.508 182 HB2 ALA 17 HB2 ALA 25 1.357 -4.366 -16.599 183 HB3 ALA 17 HB3 ALA 25 1.247 -3.452 -15.100 184 H PHE 18 H PHE 26 2.778 -3.375 -13.117 185 HA PHE 18 HA PHE 26 4.472 -1.074 -13.119 186 HB2 PHE 18 HB2 PHE 26 2.415 -1.124 -11.920 187 HB3 PHE 18 HB3 PHE 26 2.864 -2.524 -10.989 188 HD1 PHE 18 HD1 PHE 26 3.288 1.137 -11.339 189 HD2 PHE 18 HD2 PHE 26 4.451 -2.343 -9.072 190 HE1 PHE 18 HE1 PHE 26 4.158 2.572 -9.532 191 HE2 PHE 18 HE2 PHE 26 5.337 -0.880 -7.304 192 HZ PHE 18 HZ PHE 26 5.178 1.572 -7.529 193 H MET 19 H MET 27 4.789 -4.288 -11.526 194 HA MET 19 HA MET 27 7.088 -3.594 -10.041 195 HB2 MET 19 HB2 MET 27 5.959 -6.316 -10.759 196 HB3 MET 19 HB3 MET 27 7.223 -6.044 -9.592 197 HG2 MET 19 HG2 MET 27 4.437 -4.814 -9.328 198 HG3 MET 19 HG3 MET 27 4.913 -6.329 -8.621 199 HE1 MET 19 HE1 MET 27 4.374 -3.707 -5.693 200 HE2 MET 19 HE2 MET 27 3.558 -3.712 -7.260 201 HE3 MET 19 HE3 MET 27 3.809 -5.228 -6.387 202 H LYS 20 H LYS 28 6.798 -5.228 -13.257 203 HA LYS 20 HA LYS 28 9.666 -5.605 -13.503 204 HB2 LYS 20 HB2 LYS 28 7.474 -5.676 -15.614 205 HB3 LYS 20 HB3 LYS 28 9.110 -6.172 -15.881 206 HG2 LYS 20 HG2 LYS 28 7.288 -7.503 -13.824 207 HG3 LYS 20 HG3 LYS 28 7.401 -8.034 -15.461 208 HD2 LYS 20 HD2 LYS 28 9.868 -7.885 -13.664 209 HD3 LYS 20 HD3 LYS 28 8.815 -9.261 -13.636 210 HE2 LYS 20 HE2 LYS 28 10.222 -8.277 -16.176 211 HE3 LYS 20 HE3 LYS 28 10.847 -9.523 -15.115 212 HZ1 LYS 20 HZ1 LYS 28 9.667 -10.451 -16.944 213 HZ2 LYS 20 HZ2 LYS 28 8.938 -10.852 -15.537 214 HZ3 LYS 20 HZ3 LYS 28 8.272 -9.688 -16.504 215 H ALA 21 H ALA 29 7.421 -2.938 -14.226 216 HA ALA 21 HA ALA 29 9.209 -1.521 -15.980 217 HB1 ALA 21 HB1 ALA 29 7.586 0.376 -15.617 218 HB2 ALA 21 HB2 ALA 29 6.836 -1.109 -16.163 219 HB3 ALA 21 HB3 ALA 29 6.711 -0.629 -14.469 220 H ILE 22 H ILE 30 8.710 -1.467 -12.416 221 HA ILE 22 HA ILE 30 10.624 0.724 -12.079 222 HB ILE 22 HB ILE 30 10.409 0.375 -9.706 223 HG12 ILE 22 HG12 ILE 30 8.424 -1.851 -10.165 224 HG13 ILE 22 HG13 ILE 30 10.072 -2.158 -9.717 225 HG21 ILE 22 HG21 ILE 30 8.076 1.106 -9.443 226 HG22 ILE 22 HG22 ILE 30 8.803 1.823 -10.869 227 HG23 ILE 22 HG23 ILE 30 7.672 0.486 -11.035 228 HD11 ILE 22 HD11 ILE 30 7.885 -1.539 -7.965 229 HD12 ILE 22 HD12 ILE 30 9.554 -1.881 -7.528 230 HD13 ILE 22 HD13 ILE 30 9.049 -0.228 -7.805 231 H GLY 23 H GLY 31 11.020 -2.513 -12.875 232 HA2 GLY 23 HA2 GLY 31 13.031 -3.418 -13.449 233 HA3 GLY 23 HA3 GLY 31 13.894 -2.192 -12.550 234 H LEU 24 H LEU 32 11.380 -4.111 -10.856 235 HA LEU 24 HA LEU 32 13.213 -5.248 -9.007 236 HB2 LEU 24 HB2 LEU 32 10.320 -5.783 -9.762 237 HB3 LEU 24 HB3 LEU 32 11.083 -6.805 -8.595 238 HG LEU 24 HG LEU 32 11.037 -3.797 -8.205 239 HD11 LEU 24 HD11 LEU 32 9.024 -4.544 -6.582 240 HD12 LEU 24 HD12 LEU 32 8.741 -4.122 -8.262 241 HD13 LEU 24 HD13 LEU 32 8.827 -5.810 -7.784 242 HD21 LEU 24 HD21 LEU 32 11.186 -4.561 -5.758 243 HD22 LEU 24 HD22 LEU 32 11.442 -6.189 -6.351 244 HD23 LEU 24 HD23 LEU 32 12.612 -4.927 -6.724 245 HA PRO 25 HA PRO 33 14.484 -8.946 -11.333 246 HB2 PRO 25 HB2 PRO 33 15.147 -10.627 -9.252 247 HB3 PRO 25 HB3 PRO 33 16.109 -9.222 -9.688 248 HG2 PRO 25 HG2 PRO 33 13.977 -9.390 -7.545 249 HG3 PRO 25 HG3 PRO 33 15.630 -8.811 -7.339 250 HD2 PRO 25 HD2 PRO 33 13.598 -7.074 -7.760 251 HD3 PRO 25 HD3 PRO 33 15.141 -6.787 -8.578 252 H GLU 26 H GLU 34 13.499 -10.823 -12.089 253 HA GLU 26 HA GLU 34 10.745 -10.988 -11.760 254 HB2 GLU 26 HB2 GLU 34 11.925 -11.492 -13.810 255 HB3 GLU 26 HB3 GLU 34 12.658 -12.907 -13.108 256 HG2 GLU 26 HG2 GLU 34 10.501 -14.071 -12.985 257 HG3 GLU 26 HG3 GLU 34 9.622 -12.600 -13.348 258 H GLU 27 H GLU 35 13.141 -12.657 -9.821 259 HA GLU 27 HA GLU 35 11.475 -14.700 -8.756 260 HB2 GLU 27 HB2 GLU 35 13.894 -14.720 -8.532 261 HB3 GLU 27 HB3 GLU 35 13.889 -13.232 -7.628 262 HG2 GLU 27 HG2 GLU 35 12.677 -14.366 -5.732 263 HG3 GLU 27 HG3 GLU 35 12.608 -15.846 -6.662 264 H LEU 28 H LEU 36 11.929 -11.256 -7.793 265 HA LEU 28 HA LEU 36 10.151 -11.433 -5.535 266 HB2 LEU 28 HB2 LEU 36 11.482 -9.128 -6.986 267 HB3 LEU 28 HB3 LEU 36 10.351 -8.843 -5.699 268 HG LEU 28 HG LEU 36 12.840 -10.547 -5.390 269 HD11 LEU 28 HD11 LEU 36 14.097 -8.756 -4.858 270 HD12 LEU 28 HD12 LEU 36 12.882 -7.798 -5.674 271 HD13 LEU 28 HD13 LEU 36 12.828 -7.963 -3.935 272 HD21 LEU 28 HD21 LEU 36 12.020 -9.700 -2.815 273 HD22 LEU 28 HD22 LEU 36 10.526 -10.158 -3.607 274 HD23 LEU 28 HD23 LEU 36 11.855 -11.303 -3.500 275 H ILE 29 H ILE 37 9.631 -10.880 -8.971 276 HA ILE 29 HA ILE 37 6.894 -9.954 -8.627 277 HB ILE 29 HB ILE 37 8.535 -10.849 -11.011 278 HG12 ILE 29 HG12 ILE 37 7.487 -8.557 -11.814 279 HG13 ILE 29 HG13 ILE 37 7.100 -8.320 -10.152 280 HG21 ILE 29 HG21 ILE 37 6.595 -10.524 -12.538 281 HG22 ILE 29 HG22 ILE 37 6.373 -11.927 -11.534 282 HG23 ILE 29 HG23 ILE 37 5.527 -10.432 -11.147 283 HD11 ILE 29 HD11 ILE 37 9.312 -7.322 -11.056 284 HD12 ILE 29 HD12 ILE 37 9.447 -8.217 -9.541 285 HD13 ILE 29 HD13 ILE 37 9.957 -8.948 -11.065 286 H GLN 30 H GLN 38 8.402 -13.101 -9.611 287 HA GLN 30 HA GLN 38 5.931 -14.450 -9.732 288 HB2 GLN 30 HB2 GLN 38 8.794 -15.477 -9.575 289 HB3 GLN 30 HB3 GLN 38 7.433 -16.525 -9.826 290 HG2 GLN 30 HG2 GLN 38 8.357 -14.310 -11.711 291 HG3 GLN 30 HG3 GLN 38 8.495 -16.025 -11.976 292 HE21 GLN 30 HE21 GLN 38 7.016 -13.585 -13.295 293 HE22 GLN 30 HE22 GLN 38 5.405 -14.180 -13.574 294 H LYS 31 H LYS 39 7.990 -13.939 -6.909 295 HA LYS 31 HA LYS 39 6.473 -15.860 -5.296 296 HB2 LYS 31 HB2 LYS 39 7.927 -15.320 -3.538 297 HB3 LYS 31 HB3 LYS 39 8.903 -15.412 -4.963 298 HG2 LYS 31 HG2 LYS 39 9.803 -13.452 -4.189 299 HG3 LYS 31 HG3 LYS 39 8.437 -12.738 -4.977 300 HD2 LYS 31 HD2 LYS 39 8.137 -11.694 -2.983 301 HD3 LYS 31 HD3 LYS 39 7.263 -13.132 -2.562 302 HE2 LYS 31 HE2 LYS 39 10.185 -12.578 -1.866 303 HE3 LYS 31 HE3 LYS 39 8.825 -12.516 -0.763 304 HZ1 LYS 31 HZ1 LYS 39 10.010 -14.560 -0.581 305 HZ2 LYS 31 HZ2 LYS 39 8.482 -14.853 -1.132 306 HZ3 LYS 31 HZ3 LYS 39 9.759 -14.911 -2.172 307 H GLY 32 H GLY 40 6.161 -12.477 -6.235 308 HA2 GLY 32 HA2 GLY 40 4.599 -11.674 -3.875 309 HA3 GLY 32 HA3 GLY 40 5.035 -10.710 -5.266 310 H LYS 33 H LYS 41 3.959 -12.885 -7.183 311 HA LYS 33 HA LYS 41 1.196 -11.962 -7.196 312 HB2 LYS 33 HB2 LYS 41 1.053 -13.095 -9.366 313 HB3 LYS 33 HB3 LYS 41 2.283 -11.898 -9.286 314 HG2 LYS 33 HG2 LYS 41 3.893 -13.314 -9.876 315 HG3 LYS 33 HG3 LYS 41 3.520 -14.453 -8.620 316 HD2 LYS 33 HD2 LYS 41 2.057 -14.293 -11.294 317 HD3 LYS 33 HD3 LYS 41 3.408 -15.342 -10.978 318 HE2 LYS 33 HE2 LYS 41 2.100 -16.480 -9.145 319 HE3 LYS 33 HE3 LYS 41 0.714 -15.469 -9.517 320 HZ1 LYS 33 HZ1 LYS 41 0.587 -17.572 -10.596 321 HZ2 LYS 33 HZ2 LYS 41 0.720 -16.379 -11.729 322 HZ3 LYS 33 HZ3 LYS 41 2.022 -17.325 -11.370 323 H ASP 34 H ASP 42 2.859 -15.089 -6.455 324 HA ASP 34 HA ASP 42 0.277 -16.463 -6.332 325 HB2 ASP 34 HB2 ASP 42 1.583 -18.449 -5.515 326 HB3 ASP 34 HB3 ASP 42 1.827 -17.922 -7.170 327 H ILE 35 H ILE 43 2.855 -15.516 -3.989 328 HA ILE 35 HA ILE 43 1.283 -16.283 -1.693 329 HB ILE 35 HB ILE 43 3.712 -14.450 -1.835 330 HG12 ILE 35 HG12 ILE 43 3.686 -17.408 -1.110 331 HG13 ILE 35 HG13 ILE 43 4.086 -16.843 -2.701 332 HG21 ILE 35 HG21 ILE 43 4.051 -15.000 0.582 333 HG22 ILE 35 HG22 ILE 43 2.590 -14.087 0.315 334 HG23 ILE 35 HG23 ILE 43 2.499 -15.824 0.596 335 HD11 ILE 35 HD11 ILE 43 6.230 -16.915 -1.904 336 HD12 ILE 35 HD12 ILE 43 5.864 -15.303 -1.308 337 HD13 ILE 35 HD13 ILE 43 5.744 -16.691 -0.227 338 H LYS 36 H LYS 44 -0.319 -15.168 -0.786 339 HA LYS 36 HA LYS 44 -0.786 -12.311 -1.369 340 HB2 LYS 36 HB2 LYS 44 -2.424 -14.563 -0.137 341 HB3 LYS 36 HB3 LYS 44 -2.793 -12.911 0.235 342 HG2 LYS 36 HG2 LYS 44 -4.213 -13.493 -1.558 343 HG3 LYS 36 HG3 LYS 44 -3.087 -12.310 -2.116 344 HD2 LYS 36 HD2 LYS 44 -1.980 -14.940 -2.735 345 HD3 LYS 36 HD3 LYS 44 -3.653 -14.960 -3.145 346 HE2 LYS 36 HE2 LYS 44 -2.391 -14.283 -5.105 347 HE3 LYS 36 HE3 LYS 44 -3.379 -12.930 -4.586 348 HZ1 LYS 36 HZ1 LYS 44 -1.165 -12.275 -5.134 349 HZ2 LYS 36 HZ2 LYS 44 -1.434 -12.004 -3.530 350 HZ3 LYS 36 HZ3 LYS 44 -0.517 -13.289 -4.010 351 H GLY 37 H GLY 45 0.511 -11.018 -0.254 352 HA2 GLY 37 HA2 GLY 45 1.769 -11.612 2.254 353 HA3 GLY 37 HA3 GLY 45 1.729 -10.071 1.413 354 H VAL 38 H VAL 46 1.568 -10.152 4.162 355 HA VAL 38 HA VAL 46 -1.257 -9.464 4.854 356 HB VAL 38 HB VAL 46 1.180 -10.092 6.581 357 HG11 VAL 38 HG11 VAL 46 -0.379 -9.979 8.553 358 HG12 VAL 38 HG12 VAL 46 -0.041 -8.414 7.860 359 HG13 VAL 38 HG13 VAL 46 -1.582 -9.209 7.526 360 HG21 VAL 38 HG21 VAL 46 -0.147 -12.039 7.349 361 HG22 VAL 38 HG22 VAL 46 -1.427 -11.620 6.214 362 HG23 VAL 38 HG23 VAL 46 0.156 -12.116 5.624 363 H SER 39 H SER 47 -1.624 -7.449 5.927 364 HA SER 39 HA SER 47 0.518 -5.484 6.047 365 HB2 SER 39 HB2 SER 47 -0.688 -3.813 4.695 366 HB3 SER 39 HB3 SER 47 -0.317 -5.213 3.719 367 HG SER 39 HG SER 47 -2.797 -4.548 4.913 368 H GLU 40 H GLU 48 -0.282 -3.453 7.083 369 HA GLU 40 HA GLU 48 -2.501 -3.668 8.923 370 HB2 GLU 40 HB2 GLU 48 -0.987 -5.186 10.052 371 HB3 GLU 40 HB3 GLU 48 0.378 -4.157 9.771 372 HG2 GLU 40 HG2 GLU 48 -0.534 -2.481 11.415 373 HG3 GLU 40 HG3 GLU 48 -1.959 -3.468 11.635 374 H ILE 41 H ILE 49 -3.023 -1.774 9.812 375 HA ILE 41 HA ILE 49 -1.295 0.604 9.352 376 HB ILE 41 HB ILE 49 -4.317 0.382 9.011 377 HG12 ILE 41 HG12 ILE 49 -2.334 1.152 6.842 378 HG13 ILE 41 HG13 ILE 49 -2.958 -0.459 7.015 379 HG21 ILE 41 HG21 ILE 49 -4.116 2.827 8.259 380 HG22 ILE 41 HG22 ILE 49 -3.894 2.570 9.976 381 HG23 ILE 41 HG23 ILE 49 -2.493 2.812 8.939 382 HD11 ILE 41 HD11 ILE 49 -4.747 0.088 5.764 383 HD12 ILE 41 HD12 ILE 49 -5.297 1.185 7.008 384 HD13 ILE 41 HD13 ILE 49 -4.253 1.778 5.719 385 H VAL 42 H VAL 50 -1.267 1.970 11.133 386 HA VAL 42 HA VAL 50 -3.139 1.478 13.392 387 HB VAL 42 HB VAL 50 -0.111 1.760 13.698 388 HG11 VAL 42 HG11 VAL 50 -0.515 1.401 16.123 389 HG12 VAL 42 HG12 VAL 50 -1.305 2.861 15.571 390 HG13 VAL 42 HG13 VAL 50 -2.253 1.407 15.843 391 HG21 VAL 42 HG21 VAL 50 -0.167 -0.534 14.693 392 HG22 VAL 42 HG22 VAL 50 -1.843 -0.699 14.178 393 HG23 VAL 42 HG23 VAL 50 -0.555 -0.531 12.987 394 H GLN 43 H GLN 51 -4.267 3.336 13.113 395 HA GLN 43 HA GLN 51 -3.001 5.911 12.612 396 HB2 GLN 43 HB2 GLN 51 -5.217 5.302 11.722 397 HB3 GLN 43 HB3 GLN 51 -5.856 5.112 13.333 398 HG2 GLN 43 HG2 GLN 51 -5.424 7.574 13.772 399 HG3 GLN 43 HG3 GLN 51 -4.781 7.734 12.153 400 HE21 GLN 43 HE21 GLN 51 -6.611 9.482 12.460 401 HE22 GLN 43 HE22 GLN 51 -8.184 9.014 11.867 402 H ASN 44 H ASN 52 -2.309 7.332 14.120 403 HA ASN 44 HA ASN 52 -2.902 6.916 17.020 404 HB2 ASN 44 HB2 ASN 52 -0.207 7.557 15.712 405 HB3 ASN 44 HB3 ASN 52 -0.500 7.502 17.433 406 HD21 ASN 44 HD21 ASN 52 1.050 5.809 15.174 407 HD22 ASN 44 HD22 ASN 52 0.802 4.188 15.764 408 H GLY 45 H GLY 53 -4.527 8.554 15.669 409 HA2 GLY 45 HA2 GLY 53 -5.374 10.687 15.740 410 HA3 GLY 45 HA3 GLY 53 -4.024 11.204 16.740 411 H LYS 46 H LYS 54 -2.683 12.653 15.747 412 HA LYS 46 HA LYS 54 -2.672 13.184 12.940 413 HB2 LYS 46 HB2 LYS 54 -1.439 14.305 15.403 414 HB3 LYS 46 HB3 LYS 54 -0.374 14.407 14.051 415 HG2 LYS 46 HG2 LYS 54 -3.222 15.449 13.948 416 HG3 LYS 46 HG3 LYS 54 -1.837 16.418 14.371 417 HD2 LYS 46 HD2 LYS 54 -0.786 15.917 12.144 418 HD3 LYS 46 HD3 LYS 54 -2.177 14.989 11.680 419 HE2 LYS 46 HE2 LYS 54 -2.233 17.974 12.355 420 HE3 LYS 46 HE3 LYS 54 -2.202 17.301 10.737 421 HZ1 LYS 46 HZ1 LYS 54 -4.401 17.855 11.392 422 HZ2 LYS 46 HZ2 LYS 54 -4.280 16.224 11.178 423 HZ3 LYS 46 HZ3 LYS 54 -4.329 16.856 12.701 424 H HIS 47 H HIS 55 -0.604 11.162 15.025 425 HA HIS 47 HA HIS 55 1.274 10.568 12.869 426 HB2 HIS 47 HB2 HIS 55 1.042 9.938 15.773 427 HB3 HIS 47 HB3 HIS 55 1.589 8.586 14.830 428 HD1 HIS 47 HD1 HIS 55 3.534 9.572 12.833 429 HD2 HIS 47 HD2 HIS 55 3.384 11.171 16.736 430 HE1 HIS 47 HE1 HIS 55 5.789 10.565 13.371 431 H PHE 48 H PHE 56 1.609 8.441 12.013 432 HA PHE 48 HA PHE 56 -0.695 6.631 11.846 433 HB2 PHE 48 HB2 PHE 56 -0.935 8.746 10.255 434 HB3 PHE 48 HB3 PHE 56 0.389 8.074 9.375 435 HD1 PHE 48 HD1 PHE 56 0.074 5.601 8.433 436 HD2 PHE 48 HD2 PHE 56 -3.162 8.048 9.917 437 HE1 PHE 48 HE1 PHE 56 -1.553 4.285 7.138 438 HE2 PHE 48 HE2 PHE 56 -4.752 6.701 8.611 439 HZ PHE 48 HZ PHE 56 -3.941 4.854 7.196 440 H LYS 49 H LYS 57 0.165 4.631 11.757 441 HA LYS 49 HA LYS 57 2.965 4.234 10.811 442 HB2 LYS 49 HB2 LYS 57 1.625 3.531 13.259 443 HB3 LYS 49 HB3 LYS 57 1.822 2.041 12.412 444 HG2 LYS 49 HG2 LYS 57 4.047 4.046 12.995 445 HG3 LYS 49 HG3 LYS 57 3.694 2.683 13.997 446 HD2 LYS 49 HD2 LYS 57 4.516 2.422 11.065 447 HD3 LYS 49 HD3 LYS 57 5.663 2.426 12.359 448 HE2 LYS 49 HE2 LYS 57 3.418 0.358 12.009 449 HE3 LYS 49 HE3 LYS 57 5.085 0.132 11.534 450 HZ1 LYS 49 HZ1 LYS 57 4.659 -0.830 13.649 451 HZ2 LYS 49 HZ2 LYS 57 5.748 0.399 13.806 452 HZ3 LYS 49 HZ3 LYS 57 4.183 0.617 14.278 453 H PHE 50 H PHE 58 3.366 2.778 9.262 454 HA PHE 50 HA PHE 58 1.174 1.074 8.167 455 HB2 PHE 50 HB2 PHE 58 2.829 3.103 6.848 456 HB3 PHE 50 HB3 PHE 58 3.311 1.559 6.246 457 HD1 PHE 50 HD1 PHE 58 1.501 -0.045 5.293 458 HD2 PHE 50 HD2 PHE 58 0.737 4.109 6.160 459 HE1 PHE 50 HE1 PHE 58 -0.422 -0.062 3.769 460 HE2 PHE 50 HE2 PHE 58 -1.183 4.060 4.625 461 HZ PHE 50 HZ PHE 58 -1.746 2.000 3.410 462 H THR 51 H THR 59 1.623 -1.054 8.223 463 HA THR 51 HA THR 59 4.433 -1.975 8.454 464 HB THR 51 HB THR 59 2.606 -3.890 9.740 465 HG1 THR 51 HG1 THR 59 1.976 -2.773 11.456 466 HG21 THR 51 HG21 THR 59 4.227 -3.737 11.572 467 HG22 THR 51 HG22 THR 59 5.078 -3.830 10.036 468 HG23 THR 51 HG23 THR 59 4.935 -2.283 10.869 469 H ILE 52 H ILE 60 4.850 -2.922 6.559 470 HA ILE 52 HA ILE 60 2.704 -4.425 5.100 471 HB ILE 52 HB ILE 60 5.313 -3.148 4.129 472 HG12 ILE 52 HG12 ILE 60 3.526 -1.897 2.614 473 HG13 ILE 52 HG13 ILE 60 2.434 -2.256 3.913 474 HG21 ILE 52 HG21 ILE 60 4.579 -3.770 1.823 475 HG22 ILE 52 HG22 ILE 60 4.985 -5.155 2.786 476 HG23 ILE 52 HG23 ILE 60 3.292 -4.757 2.528 477 HD11 ILE 52 HD11 ILE 60 3.699 0.032 3.920 478 HD12 ILE 52 HD12 ILE 60 3.716 -0.842 5.443 479 HD13 ILE 52 HD13 ILE 60 5.133 -0.862 4.399 480 H THR 53 H THR 61 3.002 -6.622 4.878 481 HA THR 53 HA THR 61 5.703 -7.777 5.416 482 HB THR 53 HB THR 61 2.965 -9.064 5.751 483 HG1 THR 53 HG1 THR 61 3.714 -9.139 7.954 484 HG21 THR 53 HG21 THR 61 4.199 -10.975 6.787 485 HG22 THR 53 HG22 THR 61 4.581 -10.816 5.086 486 HG23 THR 53 HG23 THR 61 5.729 -10.254 6.297 487 H ALA 54 H ALA 62 6.659 -8.187 3.524 488 HA ALA 54 HA ALA 62 5.082 -9.022 1.133 489 HB1 ALA 54 HB1 ALA 62 7.153 -8.377 -0.098 490 HB2 ALA 54 HB2 ALA 62 6.487 -7.035 0.818 491 HB3 ALA 54 HB3 ALA 62 7.909 -7.881 1.413 492 H GLY 55 H GLY 63 4.730 -11.107 2.228 493 HA2 GLY 55 HA2 GLY 63 5.121 -13.377 2.060 494 HA3 GLY 55 HA3 GLY 63 6.750 -13.109 1.466 495 H SER 56 H SER 64 8.467 -12.864 2.981 496 HA SER 56 HA SER 64 7.892 -13.741 5.767 497 HB2 SER 56 HB2 SER 64 10.355 -13.925 3.961 498 HB3 SER 56 HB3 SER 64 10.393 -14.297 5.675 499 HG SER 56 HG SER 64 9.996 -16.147 4.465 500 H LYS 57 H LYS 65 9.664 -11.196 3.912 501 HA LYS 57 HA LYS 65 10.760 -9.952 6.272 502 HB2 LYS 57 HB2 LYS 65 11.495 -8.218 4.733 503 HB3 LYS 57 HB3 LYS 65 11.939 -9.784 4.145 504 HG2 LYS 57 HG2 LYS 65 10.347 -9.737 2.376 505 HG3 LYS 57 HG3 LYS 65 9.391 -8.475 3.082 506 HD2 LYS 57 HD2 LYS 65 12.248 -7.995 2.143 507 HD3 LYS 57 HD3 LYS 65 10.876 -7.853 1.076 508 HE2 LYS 57 HE2 LYS 65 9.889 -6.081 2.541 509 HE3 LYS 57 HE3 LYS 65 11.240 -6.211 3.651 510 HZ1 LYS 57 HZ1 LYS 65 11.522 -4.413 2.148 511 HZ2 LYS 57 HZ2 LYS 65 12.697 -5.535 1.886 512 HZ3 LYS 57 HZ3 LYS 65 11.434 -5.407 0.836 513 H VAL 58 H VAL 66 10.272 -7.831 7.101 514 HA VAL 58 HA VAL 66 7.534 -6.822 6.535 515 HB VAL 58 HB VAL 66 8.820 -6.972 9.296 516 HG11 VAL 58 HG11 VAL 66 6.596 -6.226 10.141 517 HG12 VAL 58 HG12 VAL 66 7.296 -5.005 9.105 518 HG13 VAL 58 HG13 VAL 66 6.020 -6.044 8.490 519 HG21 VAL 58 HG21 VAL 66 6.991 -8.603 9.855 520 HG22 VAL 58 HG22 VAL 66 6.565 -8.672 8.147 521 HG23 VAL 58 HG23 VAL 66 8.136 -9.243 8.693 522 H ILE 59 H ILE 67 7.446 -4.724 6.140 523 HA ILE 59 HA ILE 67 9.780 -2.920 6.605 524 HB ILE 59 HB ILE 67 7.387 -2.790 4.717 525 HG12 ILE 59 HG12 ILE 67 10.330 -2.916 3.993 526 HG13 ILE 59 HG13 ILE 67 9.298 -4.312 4.054 527 HG21 ILE 59 HG21 ILE 67 8.406 -0.671 3.771 528 HG22 ILE 59 HG22 ILE 67 7.771 -0.474 5.382 529 HG23 ILE 59 HG23 ILE 67 9.507 -0.640 5.142 530 HD11 ILE 59 HD11 ILE 67 9.036 -3.860 1.809 531 HD12 ILE 59 HD12 ILE 67 7.762 -2.794 2.377 532 HD13 ILE 59 HD13 ILE 67 9.354 -2.140 2.001 533 H GLN 60 H GLN 68 9.477 -1.221 8.008 534 HA GLN 60 HA GLN 68 6.732 -0.582 9.009 535 HB2 GLN 60 HB2 GLN 68 9.325 -0.649 10.627 536 HB3 GLN 60 HB3 GLN 68 7.778 -0.122 11.202 537 HG2 GLN 60 HG2 GLN 68 7.224 -2.206 11.832 538 HG3 GLN 60 HG3 GLN 68 7.317 -2.785 10.198 539 HE21 GLN 60 HE21 GLN 68 9.089 -4.126 9.607 540 HE22 GLN 60 HE22 GLN 68 10.354 -4.557 10.723 541 H ASN 61 H ASN 69 6.225 1.483 8.564 542 HA ASN 61 HA ASN 69 8.323 3.582 8.600 543 HB2 ASN 61 HB2 ASN 69 6.191 3.243 6.405 544 HB3 ASN 61 HB3 ASN 69 7.167 4.668 6.662 545 HD21 ASN 61 HD21 ASN 69 6.940 2.055 4.698 546 HD22 ASN 61 HD22 ASN 69 8.597 1.961 4.173 547 H GLU 62 H GLU 70 7.672 5.317 9.753 548 HA GLU 62 HA GLU 70 4.773 5.702 10.332 549 HB2 GLU 62 HB2 GLU 70 6.105 4.982 12.320 550 HB3 GLU 62 HB3 GLU 70 7.179 6.330 12.091 551 HG2 GLU 62 HG2 GLU 70 5.349 7.946 12.547 552 HG3 GLU 62 HG3 GLU 70 4.172 6.652 12.589 553 H PHE 63 H PHE 71 3.979 7.770 10.215 554 HA PHE 63 HA PHE 71 5.686 10.033 9.591 555 HB2 PHE 63 HB2 PHE 71 4.508 10.603 7.505 556 HB3 PHE 63 HB3 PHE 71 5.343 9.090 7.328 557 HD1 PHE 63 HD1 PHE 71 2.055 10.778 7.466 558 HD2 PHE 63 HD2 PHE 71 4.016 6.941 7.219 559 HE1 PHE 63 HE1 PHE 71 -0.052 9.722 6.756 560 HE2 PHE 63 HE2 PHE 71 1.904 5.933 6.487 561 HZ PHE 63 HZ PHE 71 -0.116 7.324 6.208 562 H THR 64 H THR 72 4.496 12.067 9.635 563 HA THR 64 HA THR 72 1.972 11.972 11.230 564 HB THR 64 HB THR 72 3.987 14.221 10.790 565 HG1 THR 64 HG1 THR 72 4.349 13.954 12.981 566 HG21 THR 64 HG21 THR 72 2.658 15.431 12.596 567 HG22 THR 64 HG22 THR 72 1.762 15.279 11.098 568 HG23 THR 64 HG23 THR 72 1.407 14.205 12.449 569 H VAL 65 H VAL 73 0.146 12.749 10.322 570 HA VAL 65 HA VAL 73 -0.059 13.082 7.520 571 HB VAL 65 HB VAL 73 -1.982 13.552 9.827 572 HG11 VAL 65 HG11 VAL 73 -3.870 13.577 8.184 573 HG12 VAL 65 HG12 VAL 73 -2.881 15.014 8.061 574 HG13 VAL 65 HG13 VAL 73 -2.712 13.723 6.872 575 HG21 VAL 65 HG21 VAL 73 -3.036 11.452 9.042 576 HG22 VAL 65 HG22 VAL 73 -1.843 11.319 7.754 577 HG23 VAL 65 HG23 VAL 73 -1.349 11.191 9.438 578 H GLY 66 H GLY 74 0.356 14.787 6.313 579 HA2 GLY 66 HA2 GLY 74 0.090 16.963 5.553 580 HA3 GLY 66 HA3 GLY 74 -0.206 17.567 7.167 581 H GLU 67 H GLU 75 2.474 15.747 7.802 582 HA GLU 67 HA GLU 75 4.392 17.957 7.228 583 HB2 GLU 67 HB2 GLU 75 4.554 15.575 9.119 584 HB3 GLU 67 HB3 GLU 75 5.784 16.791 8.931 585 HG2 GLU 67 HG2 GLU 75 4.128 18.556 9.695 586 HG3 GLU 67 HG3 GLU 75 2.955 17.295 9.997 587 H GLU 68 H GLU 76 6.385 17.543 6.220 588 HA GLU 68 HA GLU 76 6.522 15.376 4.319 589 HB2 GLU 68 HB2 GLU 76 8.510 17.513 5.180 590 HB3 GLU 68 HB3 GLU 76 8.913 16.259 4.037 591 HG2 GLU 68 HG2 GLU 76 7.027 17.015 2.547 592 HG3 GLU 68 HG3 GLU 76 6.661 18.301 3.677 593 H CYS 69 H CYS 77 6.949 13.367 4.825 594 HA CYS 69 HA CYS 77 9.075 12.679 6.797 595 HB2 CYS 69 HB2 CYS 77 6.341 11.352 6.425 596 HB3 CYS 69 HB3 CYS 77 7.653 10.640 7.350 597 HG CYS 69 HG CYS 77 7.936 12.510 9.081 598 H GLU 70 H GLU 78 10.221 10.756 6.251 599 HA GLU 70 HA GLU 78 10.318 10.301 3.328 600 HB2 GLU 70 HB2 GLU 78 12.257 11.256 4.604 601 HB3 GLU 70 HB3 GLU 78 12.374 9.767 5.497 602 HG2 GLU 70 HG2 GLU 78 12.815 8.514 3.366 603 HG3 GLU 70 HG3 GLU 78 12.631 9.991 2.452 604 H LEU 71 H LEU 79 9.521 8.500 2.498 605 HA LEU 71 HA LEU 79 8.897 6.175 4.258 606 HB2 LEU 71 HB2 LEU 79 7.646 7.225 1.656 607 HB3 LEU 71 HB3 LEU 79 7.235 5.707 2.386 608 HG LEU 71 HG LEU 79 5.554 7.173 2.946 609 HD11 LEU 71 HD11 LEU 79 5.318 6.802 5.235 610 HD12 LEU 71 HD12 LEU 79 6.568 5.654 4.796 611 HD13 LEU 71 HD13 LEU 79 7.000 7.162 5.604 612 HD21 LEU 71 HD21 LEU 79 5.615 9.371 3.341 613 HD22 LEU 71 HD22 LEU 79 6.852 9.238 4.577 614 HD23 LEU 71 HD23 LEU 79 7.304 9.311 2.877 615 H GLU 72 H GLU 80 9.690 4.228 3.841 616 HA GLU 72 HA GLU 80 11.552 3.775 1.609 617 HB2 GLU 72 HB2 GLU 80 11.950 3.156 4.088 618 HB3 GLU 72 HB3 GLU 80 10.706 1.966 3.921 619 HG2 GLU 72 HG2 GLU 80 12.386 1.303 1.764 620 HG3 GLU 72 HG3 GLU 80 13.523 1.979 2.878 621 H THR 73 H THR 81 11.227 2.142 0.049 622 HA THR 73 HA THR 81 8.571 0.770 -0.119 623 HB THR 73 HB THR 81 8.880 0.692 -2.498 624 HG1 THR 73 HG1 THR 81 10.724 1.666 -3.484 625 HG21 THR 73 HG21 THR 81 8.851 3.019 -3.228 626 HG22 THR 73 HG22 THR 81 7.962 2.865 -1.717 627 HG23 THR 73 HG23 THR 81 9.581 3.557 -1.722 628 H MET 74 H MET 82 8.924 -1.335 -1.573 629 HA MET 74 HA MET 82 10.436 -3.174 -0.096 630 HB2 MET 74 HB2 MET 82 9.502 -3.609 -2.952 631 HB3 MET 74 HB3 MET 82 9.775 -4.818 -1.742 632 HG2 MET 74 HG2 MET 82 7.462 -4.701 -1.701 633 HG3 MET 74 HG3 MET 82 7.839 -3.602 -0.407 634 HE1 MET 74 HE1 MET 82 6.209 -2.495 -4.607 635 HE2 MET 74 HE2 MET 82 7.807 -3.224 -4.449 636 HE3 MET 74 HE3 MET 82 6.368 -4.134 -3.963 637 H THR 75 H THR 83 11.397 -1.277 -2.919 638 HA THR 75 HA THR 83 13.836 -2.791 -3.463 639 HB THR 75 HB THR 83 14.254 -1.056 -5.133 640 HG1 THR 75 HG1 THR 83 13.601 0.775 -4.182 641 HG21 THR 75 HG21 THR 83 12.273 -1.233 -6.594 642 HG22 THR 75 HG22 THR 83 12.697 -2.773 -5.871 643 HG23 THR 75 HG23 THR 83 11.311 -1.864 -5.261 644 H GLY 76 H GLY 84 12.948 -0.522 -1.064 645 HA2 GLY 76 HA2 GLY 84 14.287 0.299 0.617 646 HA3 GLY 76 HA3 GLY 84 15.742 -0.043 -0.290 647 H GLU 77 H GLU 85 13.410 1.676 -2.228 648 HA GLU 77 HA GLU 85 15.018 4.061 -2.350 649 HB2 GLU 77 HB2 GLU 85 12.324 3.243 -3.526 650 HB3 GLU 77 HB3 GLU 85 12.978 4.822 -3.789 651 HG2 GLU 77 HG2 GLU 85 14.551 2.306 -4.538 652 HG3 GLU 77 HG3 GLU 85 13.384 3.037 -5.612 653 H LYS 78 H LYS 86 15.067 5.588 -0.879 654 HA LYS 78 HA LYS 86 12.744 6.089 0.893 655 HB2 LYS 78 HB2 LYS 86 15.679 6.884 1.151 656 HB3 LYS 78 HB3 LYS 86 14.404 7.272 2.263 657 HG2 LYS 78 HG2 LYS 86 14.006 4.604 2.280 658 HG3 LYS 78 HG3 LYS 86 15.639 4.579 1.683 659 HD2 LYS 78 HD2 LYS 86 15.932 4.392 4.003 660 HD3 LYS 78 HD3 LYS 86 16.260 6.079 3.703 661 HE2 LYS 78 HE2 LYS 86 13.835 6.611 4.364 662 HE3 LYS 78 HE3 LYS 86 13.632 4.921 4.775 663 HZ1 LYS 78 HZ1 LYS 86 14.183 6.228 6.661 664 HZ2 LYS 78 HZ2 LYS 86 15.424 5.181 6.361 665 HZ3 LYS 78 HZ3 LYS 86 15.566 6.778 5.956 666 H VAL 79 H VAL 87 11.477 7.764 0.479 667 HA VAL 79 HA VAL 87 12.479 10.179 -0.894 668 HB VAL 79 HB VAL 87 10.294 10.017 -2.306 669 HG11 VAL 79 HG11 VAL 87 11.418 8.878 -4.151 670 HG12 VAL 79 HG12 VAL 87 12.552 9.922 -3.306 671 HG13 VAL 79 HG13 VAL 87 12.601 8.178 -3.055 672 HG21 VAL 79 HG21 VAL 87 9.460 7.809 -2.907 673 HG22 VAL 79 HG22 VAL 87 10.594 7.015 -1.831 674 HG23 VAL 79 HG23 VAL 87 9.298 7.993 -1.167 675 H LYS 80 H LYS 88 11.611 11.996 -0.207 676 HA LYS 80 HA LYS 88 9.814 12.012 2.051 677 HB2 LYS 80 HB2 LYS 88 11.275 14.165 0.479 678 HB3 LYS 80 HB3 LYS 88 10.171 14.532 1.781 679 HG2 LYS 80 HG2 LYS 88 11.494 13.316 3.415 680 HG3 LYS 80 HG3 LYS 88 12.560 12.687 2.192 681 HD2 LYS 80 HD2 LYS 88 13.613 14.538 3.416 682 HD3 LYS 80 HD3 LYS 88 13.470 14.906 1.720 683 HE2 LYS 80 HE2 LYS 88 11.487 16.359 2.169 684 HE3 LYS 80 HE3 LYS 88 11.543 15.941 3.875 685 HZ1 LYS 80 HZ1 LYS 88 12.557 18.021 3.404 686 HZ2 LYS 80 HZ2 LYS 88 13.697 16.974 3.980 687 HZ3 LYS 80 HZ3 LYS 88 13.641 17.336 2.369 688 H THR 81 H THR 89 7.740 12.730 2.199 689 HA THR 81 HA THR 89 6.383 14.200 0.162 690 HB THR 81 HB THR 89 6.261 11.968 -0.958 691 HG1 THR 81 HG1 THR 89 3.822 11.800 -0.688 692 HG21 THR 81 HG21 THR 89 4.956 10.099 0.013 693 HG22 THR 81 HG22 THR 89 6.378 10.415 0.992 694 HG23 THR 81 HG23 THR 89 4.785 10.943 1.536 695 H VAL 82 H VAL 90 4.261 14.832 0.820 696 HA VAL 82 HA VAL 90 3.572 14.488 3.688 697 HB VAL 82 HB VAL 90 1.875 16.179 3.289 698 HG11 VAL 82 HG11 VAL 90 3.277 18.155 2.995 699 HG12 VAL 82 HG12 VAL 90 4.102 16.953 3.966 700 HG13 VAL 82 HG13 VAL 90 4.560 17.184 2.283 701 HG21 VAL 82 HG21 VAL 90 1.776 17.535 1.167 702 HG22 VAL 82 HG22 VAL 90 2.747 16.306 0.370 703 HG23 VAL 82 HG23 VAL 90 1.140 15.919 0.988 704 H VAL 83 H VAL 91 1.704 13.402 4.292 705 HA VAL 83 HA VAL 91 0.038 12.109 2.161 706 HB VAL 83 HB VAL 91 0.648 11.075 4.962 707 HG11 VAL 83 HG11 VAL 91 -0.497 8.959 4.144 708 HG12 VAL 83 HG12 VAL 91 -1.587 10.321 4.273 709 HG13 VAL 83 HG13 VAL 91 -0.980 9.827 2.694 710 HG21 VAL 83 HG21 VAL 91 1.912 9.226 3.919 711 HG22 VAL 83 HG22 VAL 91 1.738 9.977 2.341 712 HG23 VAL 83 HG23 VAL 91 2.674 10.769 3.602 713 H GLN 84 H GLN 92 -2.018 12.795 2.195 714 HA GLN 84 HA GLN 92 -3.116 14.149 4.616 715 HB2 GLN 84 HB2 GLN 92 -2.924 15.189 1.761 716 HB3 GLN 84 HB3 GLN 92 -3.980 15.892 2.958 717 HG2 GLN 84 HG2 GLN 92 -2.082 16.509 4.403 718 HG3 GLN 84 HG3 GLN 92 -0.950 15.674 3.365 719 HE21 GLN 84 HE21 GLN 92 0.006 17.964 3.681 720 HE22 GLN 84 HE22 GLN 92 -0.365 19.082 2.398 721 H LEU 85 H LEU 93 -5.223 13.820 5.016 722 HA LEU 85 HA LEU 93 -6.520 11.677 3.599 723 HB2 LEU 85 HB2 LEU 93 -6.370 12.161 6.130 724 HB3 LEU 85 HB3 LEU 93 -7.672 13.284 5.930 725 HG LEU 85 HG LEU 93 -7.813 10.349 5.039 726 HD11 LEU 85 HD11 LEU 93 -9.148 10.165 7.359 727 HD12 LEU 85 HD12 LEU 93 -7.417 9.934 7.255 728 HD13 LEU 85 HD13 LEU 93 -8.063 11.472 7.810 729 HD21 LEU 85 HD21 LEU 93 -10.396 11.063 5.784 730 HD22 LEU 85 HD22 LEU 93 -9.796 12.549 5.093 731 HD23 LEU 85 HD23 LEU 93 -9.782 11.061 4.144 732 H GLU 86 H GLU 94 -8.120 11.807 2.131 733 HA GLU 86 HA GLU 94 -8.591 14.254 0.760 734 HB2 GLU 86 HB2 GLU 94 -8.310 11.772 -0.055 735 HB3 GLU 86 HB3 GLU 94 -9.993 11.596 0.335 736 HG2 GLU 86 HG2 GLU 94 -10.573 13.423 -1.316 737 HG3 GLU 86 HG3 GLU 94 -8.874 13.593 -1.694 738 H GLY 87 H GLY 95 -10.224 12.998 3.455 739 HA2 GLY 87 HA2 GLY 95 -11.997 13.989 4.583 740 HA3 GLY 87 HA3 GLY 95 -12.547 14.800 3.132 741 H ASP 88 H ASP 96 -11.875 11.488 2.419 742 HA ASP 88 HA ASP 96 -14.516 10.457 3.171 743 HB2 ASP 88 HB2 ASP 96 -14.846 11.715 0.988 744 HB3 ASP 88 HB3 ASP 96 -13.658 10.653 0.248 745 H ASN 89 H ASN 97 -12.499 9.583 4.457 746 HA ASN 89 HA ASN 97 -11.409 7.719 5.140 747 HB2 ASN 89 HB2 ASN 97 -13.008 6.142 3.081 748 HB3 ASN 89 HB3 ASN 97 -12.418 5.580 4.626 749 HD21 ASN 89 HD21 ASN 97 -15.142 5.553 3.405 750 HD22 ASN 89 HD22 ASN 97 -16.177 6.346 4.565 751 H LYS 90 H LYS 98 -10.269 9.145 2.724 752 HA LYS 90 HA LYS 98 -8.620 6.970 1.531 753 HB2 LYS 90 HB2 LYS 98 -10.063 9.389 0.343 754 HB3 LYS 90 HB3 LYS 98 -8.801 8.581 -0.540 755 HG2 LYS 90 HG2 LYS 98 -10.031 6.612 -0.829 756 HG3 LYS 90 HG3 LYS 98 -11.096 6.899 0.500 757 HD2 LYS 90 HD2 LYS 98 -12.588 7.427 -1.111 758 HD3 LYS 90 HD3 LYS 98 -11.846 8.992 -1.087 759 HE2 LYS 90 HE2 LYS 98 -11.135 6.722 -3.022 760 HE3 LYS 90 HE3 LYS 98 -12.119 8.122 -3.400 761 HZ1 LYS 90 HZ1 LYS 98 -9.892 8.416 -4.136 762 HZ2 LYS 90 HZ2 LYS 98 -10.250 9.520 -2.962 763 HZ3 LYS 90 HZ3 LYS 98 -9.300 8.217 -2.606 764 H LEU 91 H LEU 99 -6.444 7.427 1.167 765 HA LEU 91 HA LEU 99 -5.376 10.023 2.221 766 HB2 LEU 91 HB2 LEU 99 -4.212 7.207 2.270 767 HB3 LEU 91 HB3 LEU 99 -3.249 8.618 2.572 768 HG LEU 91 HG LEU 99 -5.677 7.876 4.220 769 HD11 LEU 91 HD11 LEU 99 -4.475 6.403 5.393 770 HD12 LEU 91 HD12 LEU 99 -3.189 6.519 4.209 771 HD13 LEU 91 HD13 LEU 99 -3.140 7.516 5.642 772 HD21 LEU 91 HD21 LEU 99 -3.873 9.563 5.709 773 HD22 LEU 91 HD22 LEU 99 -4.119 10.325 4.155 774 HD23 LEU 91 HD23 LEU 99 -5.496 9.912 5.161 775 H VAL 92 H VAL 100 -4.515 11.273 0.739 776 HA VAL 92 HA VAL 100 -3.599 10.182 -1.881 777 HB VAL 92 HB VAL 100 -4.381 12.997 -0.979 778 HG11 VAL 92 HG11 VAL 100 -4.192 13.642 -3.410 779 HG12 VAL 92 HG12 VAL 100 -2.640 13.298 -2.684 780 HG13 VAL 92 HG13 VAL 100 -3.404 12.102 -3.732 781 HG21 VAL 92 HG21 VAL 100 -6.281 12.763 -2.551 782 HG22 VAL 92 HG22 VAL 100 -5.802 11.107 -2.906 783 HG23 VAL 92 HG23 VAL 100 -6.353 11.544 -1.296 784 H THR 93 H THR 101 -1.483 10.487 -2.494 785 HA THR 93 HA THR 101 0.313 12.315 -1.192 786 HB THR 93 HB THR 101 0.394 10.619 0.536 787 HG1 THR 93 HG1 THR 101 2.587 9.958 0.333 788 HG21 THR 93 HG21 THR 101 0.824 8.322 0.302 789 HG22 THR 93 HG22 THR 101 -0.333 8.596 -0.976 790 HG23 THR 93 HG23 THR 101 1.393 8.469 -1.350 791 H THR 94 H THR 102 1.990 12.829 -2.518 792 HA THR 94 HA THR 102 2.419 11.233 -4.997 793 HB THR 94 HB THR 102 2.589 13.335 -6.259 794 HG1 THR 94 HG1 THR 102 3.084 14.705 -4.486 795 HG21 THR 94 HG21 THR 102 0.218 13.956 -6.415 796 HG22 THR 94 HG22 THR 102 0.362 12.214 -6.229 797 HG23 THR 94 HG23 THR 102 -0.129 13.206 -4.861 798 H PHE 95 H PHE 103 4.467 10.684 -5.198 799 HA PHE 95 HA PHE 103 6.533 11.804 -3.483 800 HB2 PHE 95 HB2 PHE 103 6.597 9.596 -5.593 801 HB3 PHE 95 HB3 PHE 103 7.920 10.008 -4.535 802 HD1 PHE 95 HD1 PHE 103 7.719 9.626 -2.042 803 HD2 PHE 95 HD2 PHE 103 4.606 8.381 -4.755 804 HE1 PHE 95 HE1 PHE 103 6.788 8.130 -0.326 805 HE2 PHE 95 HE2 PHE 103 3.688 6.922 -3.010 806 HZ PHE 95 HZ PHE 103 4.785 6.774 -0.807 807 H LYS 96 H LYS 104 6.440 11.226 -7.033 808 HA LYS 96 HA LYS 104 7.438 13.924 -7.614 809 HB2 LYS 96 HB2 LYS 104 8.922 11.392 -8.507 810 HB3 LYS 96 HB3 LYS 104 9.144 12.974 -9.201 811 HG2 LYS 96 HG2 LYS 104 9.878 13.844 -6.937 812 HG3 LYS 96 HG3 LYS 104 9.748 12.224 -6.311 813 HD2 LYS 96 HD2 LYS 104 12.046 12.545 -6.788 814 HD3 LYS 96 HD3 LYS 104 11.444 11.436 -7.987 815 HE2 LYS 96 HE2 LYS 104 11.335 13.283 -9.684 816 HE3 LYS 96 HE3 LYS 104 11.860 14.436 -8.468 817 HZ1 LYS 96 HZ1 LYS 104 13.653 13.698 -9.825 818 HZ2 LYS 96 HZ2 LYS 104 13.899 13.206 -8.271 819 HZ3 LYS 96 HZ3 LYS 104 13.399 12.123 -9.409 820 H ASN 97 H ASN 105 6.692 10.697 -9.008 821 HA ASN 97 HA ASN 105 4.627 11.855 -10.769 822 HB2 ASN 97 HB2 ASN 105 5.531 10.834 -12.752 823 HB3 ASN 97 HB3 ASN 105 6.753 11.874 -12.081 824 HD21 ASN 97 HD21 ASN 105 6.907 9.485 -13.930 825 HD22 ASN 97 HD22 ASN 105 8.085 8.436 -13.188 826 H ILE 98 H ILE 106 5.234 9.741 -8.391 827 HA ILE 98 HA ILE 106 3.404 7.602 -9.349 828 HB ILE 98 HB ILE 106 5.128 7.852 -6.848 829 HG12 ILE 98 HG12 ILE 106 5.491 5.903 -9.131 830 HG13 ILE 98 HG13 ILE 106 6.374 7.396 -9.022 831 HG21 ILE 98 HG21 ILE 106 4.490 5.476 -6.357 832 HG22 ILE 98 HG22 ILE 106 3.092 6.514 -6.299 833 HG23 ILE 98 HG23 ILE 106 3.368 5.499 -7.710 834 HD11 ILE 98 HD11 ILE 106 7.906 5.971 -8.032 835 HD12 ILE 98 HD12 ILE 106 7.046 6.478 -6.583 836 HD13 ILE 98 HD13 ILE 106 6.676 4.926 -7.336 837 H LYS 99 H LYS 107 1.316 8.224 -9.055 838 HA LYS 99 HA LYS 107 0.551 10.031 -6.819 839 HB2 LYS 99 HB2 LYS 107 0.140 10.743 -9.142 840 HB3 LYS 99 HB3 LYS 107 -0.797 9.311 -9.455 841 HG2 LYS 99 HG2 LYS 107 -2.458 10.060 -7.671 842 HG3 LYS 99 HG3 LYS 107 -1.529 11.512 -7.458 843 HD2 LYS 99 HD2 LYS 107 -2.891 10.637 -10.048 844 HD3 LYS 99 HD3 LYS 107 -3.540 11.788 -8.915 845 HE2 LYS 99 HE2 LYS 107 -1.549 13.302 -9.344 846 HE3 LYS 99 HE3 LYS 107 -0.970 12.166 -10.551 847 HZ1 LYS 99 HZ1 LYS 107 -2.214 13.912 -11.532 848 HZ2 LYS 99 HZ2 LYS 107 -3.001 12.481 -11.758 849 HZ3 LYS 99 HZ3 LYS 107 -3.547 13.554 -10.631 850 H SER 100 H SER 108 0.569 8.484 -5.162 851 HA SER 100 HA SER 108 -1.062 6.072 -5.244 852 HB2 SER 100 HB2 SER 108 0.478 7.551 -3.061 853 HB3 SER 100 HB3 SER 108 -0.347 6.029 -2.787 854 HG SER 100 HG SER 108 1.810 5.685 -3.243 855 H VAL 101 H VAL 109 -3.201 5.955 -4.771 856 HA VAL 101 HA VAL 109 -4.409 7.898 -2.873 857 HB VAL 101 HB VAL 109 -5.656 7.016 -5.517 858 HG11 VAL 101 HG11 VAL 109 -7.556 8.527 -4.883 859 HG12 VAL 101 HG12 VAL 109 -7.439 7.144 -3.818 860 HG13 VAL 101 HG13 VAL 109 -6.855 8.717 -3.280 861 HG21 VAL 101 HG21 VAL 109 -5.683 9.457 -6.071 862 HG22 VAL 101 HG22 VAL 109 -4.712 9.777 -4.637 863 HG23 VAL 101 HG23 VAL 109 -4.061 8.808 -5.956 864 H THR 102 H THR 110 -4.633 6.559 -1.188 865 HA THR 102 HA THR 110 -5.555 3.765 -1.446 866 HB THR 102 HB THR 110 -4.814 5.485 0.977 867 HG1 THR 102 HG1 THR 110 -3.062 5.104 -0.292 868 HG21 THR 102 HG21 THR 110 -4.500 3.276 2.183 869 HG22 THR 102 HG22 THR 110 -6.178 3.634 1.856 870 HG23 THR 102 HG23 THR 110 -5.317 2.466 0.851 871 H GLU 103 H GLU 111 -7.448 3.011 -0.237 872 HA GLU 103 HA GLU 111 -9.500 4.954 0.544 873 HB2 GLU 103 HB2 GLU 111 -9.740 4.661 -1.937 874 HB3 GLU 103 HB3 GLU 111 -9.743 2.939 -1.747 875 HG2 GLU 103 HG2 GLU 111 -11.914 3.014 -0.545 876 HG3 GLU 103 HG3 GLU 111 -11.902 4.763 -0.567 877 H LEU 104 H LEU 112 -10.995 4.183 1.974 878 HA LEU 104 HA LEU 112 -10.846 1.333 2.811 879 HB2 LEU 104 HB2 LEU 112 -9.479 2.755 4.265 880 HB3 LEU 104 HB3 LEU 112 -10.792 3.832 4.591 881 HG LEU 104 HG LEU 112 -11.005 0.879 5.278 882 HD11 LEU 104 HD11 LEU 112 -10.115 1.500 7.592 883 HD12 LEU 104 HD12 LEU 112 -8.917 1.468 6.310 884 HD13 LEU 104 HD13 LEU 112 -9.547 3.010 6.882 885 HD21 LEU 104 HD21 LEU 112 -12.197 2.540 7.292 886 HD22 LEU 104 HD22 LEU 112 -12.751 3.155 5.751 887 HD23 LEU 104 HD23 LEU 112 -12.991 1.462 6.161 888 H ASN 105 H ASN 113 -12.763 0.369 2.841 889 HA ASN 105 HA ASN 113 -15.247 1.904 3.221 890 HB2 ASN 105 HB2 ASN 113 -14.538 0.093 0.842 891 HB3 ASN 105 HB3 ASN 113 -16.193 0.276 1.355 892 HD21 ASN 105 HD21 ASN 113 -13.780 1.740 -0.574 893 HD22 ASN 105 HD22 ASN 113 -14.656 3.203 -0.921 894 H GLY 106 H GLY 114 -14.873 1.026 5.364 895 HA2 GLY 106 HA2 GLY 114 -15.409 -0.388 7.070 896 HA3 GLY 106 HA3 GLY 114 -16.337 -1.357 5.937 897 H ASP 107 H ASP 115 -15.622 -3.424 5.856 898 HA ASP 107 HA ASP 115 -12.977 -4.193 6.712 899 HB2 ASP 107 HB2 ASP 115 -13.842 -6.575 6.121 900 HB3 ASP 107 HB3 ASP 115 -14.483 -5.706 7.491 901 H ILE 108 H ILE 116 -14.156 -3.185 3.647 902 HA ILE 108 HA ILE 116 -12.063 -4.755 2.197 903 HB ILE 108 HB ILE 116 -14.374 -3.049 1.173 904 HG12 ILE 108 HG12 ILE 116 -15.308 -5.034 2.089 905 HG13 ILE 108 HG13 ILE 116 -15.371 -5.165 0.366 906 HG21 ILE 108 HG21 ILE 116 -13.843 -4.011 -1.092 907 HG22 ILE 108 HG22 ILE 116 -12.609 -2.921 -0.510 908 HG23 ILE 108 HG23 ILE 116 -12.341 -4.658 -0.442 909 HD11 ILE 108 HD11 ILE 116 -14.625 -7.317 0.962 910 HD12 ILE 108 HD12 ILE 116 -13.058 -6.557 0.715 911 HD13 ILE 108 HD13 ILE 116 -13.706 -6.737 2.343 912 H ILE 109 H ILE 117 -10.332 -3.761 1.295 913 HA ILE 109 HA ILE 117 -10.090 -0.782 1.464 914 HB ILE 109 HB ILE 117 -7.749 -2.712 1.742 915 HG12 ILE 109 HG12 ILE 117 -9.077 -3.307 3.668 916 HG13 ILE 109 HG13 ILE 117 -7.663 -2.421 4.129 917 HG21 ILE 109 HG21 ILE 117 -6.582 -0.785 2.729 918 HG22 ILE 109 HG22 ILE 117 -7.186 -0.347 1.140 919 HG23 ILE 109 HG23 ILE 117 -8.009 0.206 2.596 920 HD11 ILE 109 HD11 ILE 117 -10.269 -1.855 4.986 921 HD12 ILE 109 HD12 ILE 117 -8.888 -0.771 5.144 922 HD13 ILE 109 HD13 ILE 117 -9.989 -0.604 3.789 923 H THR 110 H THR 118 -9.193 0.167 -0.308 924 HA THR 110 HA THR 118 -8.258 -1.467 -2.609 925 HB THR 110 HB THR 118 -10.493 0.639 -2.567 926 HG1 THR 110 HG1 THR 118 -11.068 -1.493 -2.173 927 HG21 THR 110 HG21 THR 118 -10.683 0.331 -5.060 928 HG22 THR 110 HG22 THR 118 -9.240 1.208 -4.614 929 HG23 THR 110 HG23 THR 118 -9.129 -0.498 -5.066 930 H ASN 111 H ASN 119 -7.028 -0.132 -4.153 931 HA ASN 111 HA ASN 119 -6.330 2.541 -3.415 932 HB2 ASN 111 HB2 ASN 119 -4.757 1.536 -1.919 933 HB3 ASN 111 HB3 ASN 119 -4.395 0.238 -3.029 934 HD21 ASN 111 HD21 ASN 119 -3.497 3.492 -2.074 935 HD22 ASN 111 HD22 ASN 119 -2.120 3.605 -3.138 936 H THR 112 H THR 120 -5.401 3.665 -5.144 937 HA THR 112 HA THR 120 -4.826 2.241 -7.683 938 HB THR 112 HB THR 120 -6.498 4.800 -7.391 939 HG1 THR 112 HG1 THR 120 -7.623 2.878 -7.050 940 HG21 THR 112 HG21 THR 120 -6.733 4.693 -9.886 941 HG22 THR 112 HG22 THR 120 -5.059 4.977 -9.447 942 HG23 THR 112 HG23 THR 120 -5.577 3.367 -9.939 943 H MET 113 H MET 121 -2.708 2.490 -7.773 944 HA MET 113 HA MET 121 -1.385 5.108 -7.301 945 HB2 MET 113 HB2 MET 121 -0.355 2.249 -7.676 946 HB3 MET 113 HB3 MET 121 0.677 3.647 -7.725 947 HG2 MET 113 HG2 MET 121 0.357 4.184 -5.477 948 HG3 MET 113 HG3 MET 121 -1.115 3.283 -5.319 949 HE1 MET 113 HE1 MET 121 3.166 1.516 -5.290 950 HE2 MET 113 HE2 MET 121 2.491 2.248 -6.751 951 HE3 MET 113 HE3 MET 121 2.774 3.242 -5.312 952 H THR 114 H THR 122 -0.421 6.175 -9.046 953 HA THR 114 HA THR 122 -0.575 4.923 -11.749 954 HB THR 114 HB THR 122 -1.456 7.753 -11.012 955 HG1 THR 114 HG1 THR 122 -3.362 6.984 -12.092 956 HG21 THR 114 HG21 THR 122 -1.977 8.020 -13.471 957 HG22 THR 114 HG22 THR 122 -0.253 7.937 -13.176 958 HG23 THR 114 HG23 THR 122 -1.100 6.529 -13.802 959 H LEU 115 H LEU 123 1.471 4.600 -12.220 960 HA LEU 115 HA LEU 123 3.488 6.746 -11.773 961 HB2 LEU 115 HB2 LEU 123 4.055 4.795 -10.467 962 HB3 LEU 115 HB3 LEU 123 3.712 3.711 -11.777 963 HG LEU 115 HG LEU 123 5.657 4.430 -13.039 964 HD11 LEU 115 HD11 LEU 123 6.586 6.455 -12.837 965 HD12 LEU 115 HD12 LEU 123 5.667 6.831 -11.391 966 HD13 LEU 115 HD13 LEU 123 7.212 6.026 -11.255 967 HD21 LEU 115 HD21 LEU 123 7.463 3.673 -11.483 968 HD22 LEU 115 HD22 LEU 123 6.298 3.707 -10.163 969 HD23 LEU 115 HD23 LEU 123 6.059 2.620 -11.532 970 H GLY 116 H GLY 124 3.240 7.879 -13.616 971 HA2 GLY 116 HA2 GLY 124 3.457 8.454 -15.807 972 HA3 GLY 116 HA3 GLY 124 4.345 6.961 -16.065 973 H ASP 117 H ASP 125 3.426 5.693 -17.573 974 HA ASP 117 HA ASP 125 0.688 6.000 -18.440 975 HB2 ASP 117 HB2 ASP 125 1.488 4.118 -20.127 976 HB3 ASP 117 HB3 ASP 125 1.953 5.792 -20.287 977 H ILE 118 H ILE 126 2.209 3.913 -16.141 978 HA ILE 118 HA ILE 126 0.184 1.760 -16.496 979 HB ILE 118 HB ILE 126 2.777 1.926 -14.912 980 HG12 ILE 118 HG12 ILE 126 2.103 0.102 -17.253 981 HG13 ILE 118 HG13 ILE 126 2.868 1.643 -17.472 982 HG21 ILE 118 HG21 ILE 126 2.464 -0.546 -14.445 983 HG22 ILE 118 HG22 ILE 126 1.313 0.445 -13.593 984 HG23 ILE 118 HG23 ILE 126 0.823 -0.426 -15.046 985 HD11 ILE 118 HD11 ILE 126 4.897 0.765 -17.071 986 HD12 ILE 118 HD12 ILE 126 4.422 0.237 -15.465 987 HD13 ILE 118 HD13 ILE 126 4.162 -0.816 -16.853 988 H VAL 119 H VAL 127 -1.289 1.238 -14.919 989 HA VAL 119 HA VAL 127 -1.479 3.001 -12.517 990 HB VAL 119 HB VAL 127 -3.737 1.915 -14.255 991 HG11 VAL 119 HG11 VAL 127 -5.246 3.319 -12.832 992 HG12 VAL 119 HG12 VAL 127 -4.521 2.033 -11.899 993 HG13 VAL 119 HG13 VAL 127 -3.899 3.674 -11.761 994 HG21 VAL 119 HG21 VAL 127 -4.208 4.311 -14.777 995 HG22 VAL 119 HG22 VAL 127 -2.735 4.774 -13.933 996 HG23 VAL 119 HG23 VAL 127 -2.651 3.799 -15.395 997 H PHE 120 H PHE 128 -0.419 1.526 -11.163 998 HA PHE 120 HA PHE 128 -1.249 -1.224 -10.873 999 HB2 PHE 120 HB2 PHE 128 1.013 -0.569 -10.370 1000 HB3 PHE 120 HB3 PHE 128 0.507 0.617 -9.215 1001 HD1 PHE 120 HD1 PHE 128 -0.348 -3.066 -9.699 1002 HD2 PHE 120 HD2 PHE 128 1.318 -0.046 -7.112 1003 HE1 PHE 120 HE1 PHE 128 -0.055 -4.729 -7.917 1004 HE2 PHE 120 HE2 PHE 128 1.596 -1.739 -5.346 1005 HZ PHE 120 HZ PHE 128 0.898 -4.072 -5.741 1006 H LYS 121 H LYS 129 -2.935 -2.000 -9.766 1007 HA LYS 121 HA LYS 129 -4.208 -0.364 -7.622 1008 HB2 LYS 121 HB2 LYS 129 -5.433 -2.075 -9.813 1009 HB3 LYS 121 HB3 LYS 129 -6.327 -1.638 -8.377 1010 HG2 LYS 121 HG2 LYS 129 -6.280 0.696 -8.883 1011 HG3 LYS 121 HG3 LYS 129 -5.028 0.526 -10.075 1012 HD2 LYS 121 HD2 LYS 129 -7.127 0.919 -11.197 1013 HD3 LYS 121 HD3 LYS 129 -6.547 -0.674 -11.596 1014 HE2 LYS 121 HE2 LYS 129 -8.159 -1.685 -9.944 1015 HE3 LYS 121 HE3 LYS 129 -8.723 -0.076 -9.519 1016 HZ1 LYS 121 HZ1 LYS 129 -10.129 -1.123 -11.115 1017 HZ2 LYS 121 HZ2 LYS 129 -9.422 0.205 -11.791 1018 HZ3 LYS 121 HZ3 LYS 129 -8.884 -1.305 -12.180 1019 H ARG 122 H ARG 130 -4.976 -1.503 -5.825 1020 HA ARG 122 HA ARG 130 -3.962 -4.259 -5.405 1021 HB2 ARG 122 HB2 ARG 130 -2.199 -2.297 -5.117 1022 HB3 ARG 122 HB3 ARG 130 -3.044 -1.929 -3.657 1023 HG2 ARG 122 HG2 ARG 130 -1.731 -4.553 -4.436 1024 HG3 ARG 122 HG3 ARG 130 -0.961 -3.371 -3.420 1025 HD2 ARG 122 HD2 ARG 130 -3.114 -3.840 -1.834 1026 HD3 ARG 122 HD3 ARG 130 -3.200 -5.310 -2.778 1027 HE ARG 122 HE ARG 130 -0.707 -5.592 -2.305 1028 HH11 ARG 122 HH11 ARG 130 -2.168 -5.113 1.448 1029 HH12 ARG 122 HH12 ARG 130 -3.085 -4.468 0.117 1030 HH21 ARG 122 HH21 ARG 130 0.408 -6.408 -0.591 1031 HH22 ARG 122 HH22 ARG 130 -0.187 -6.270 1.046 1032 H ILE 123 H ILE 131 -5.458 -5.346 -4.318 1033 HA ILE 123 HA ILE 131 -7.520 -3.879 -2.733 1034 HB ILE 123 HB ILE 131 -7.763 -6.473 -4.346 1035 HG12 ILE 123 HG12 ILE 131 -9.521 -4.818 -5.577 1036 HG13 ILE 123 HG13 ILE 131 -8.398 -3.606 -5.063 1037 HG21 ILE 123 HG21 ILE 131 -10.218 -6.259 -3.934 1038 HG22 ILE 123 HG22 ILE 131 -9.353 -6.506 -2.444 1039 HG23 ILE 123 HG23 ILE 131 -9.920 -4.892 -2.866 1040 HD11 ILE 123 HD11 ILE 131 -7.983 -4.475 -7.395 1041 HD12 ILE 123 HD12 ILE 131 -6.578 -4.760 -6.388 1042 HD13 ILE 123 HD13 ILE 131 -7.682 -6.081 -6.750 1043 H SER 124 H SER 132 -8.118 -4.694 -0.777 1044 HA SER 124 HA SER 132 -6.971 -7.192 0.267 1045 HB2 SER 124 HB2 SER 132 -6.265 -4.374 1.149 1046 HB3 SER 124 HB3 SER 132 -6.436 -5.580 2.399 1047 HG SER 124 HG SER 132 -4.941 -6.871 1.400 1048 H LYS 125 H LYS 133 -7.796 -7.711 2.450 1049 HA LYS 125 HA LYS 133 -10.406 -6.536 3.117 1050 HB2 LYS 125 HB2 LYS 133 -10.885 -8.377 1.596 1051 HB3 LYS 125 HB3 LYS 133 -9.965 -9.508 2.547 1052 HG2 LYS 125 HG2 LYS 133 -12.272 -8.017 3.835 1053 HG3 LYS 125 HG3 LYS 133 -12.643 -9.262 2.684 1054 HD2 LYS 125 HD2 LYS 133 -11.531 -10.969 3.994 1055 HD3 LYS 125 HD3 LYS 133 -10.845 -9.809 5.087 1056 HE2 LYS 125 HE2 LYS 133 -13.230 -9.153 5.777 1057 HE3 LYS 125 HE3 LYS 133 -13.827 -10.455 4.761 1058 HZ1 LYS 125 HZ1 LYS 133 -13.605 -11.122 7.023 1059 HZ2 LYS 125 HZ2 LYS 133 -12.535 -11.980 6.105 1060 HZ3 LYS 125 HZ3 LYS 133 -12.005 -10.726 7.044 1061 H ARG 126 H ARG 134 -10.840 -6.476 5.226 1062 HA ARG 126 HA ARG 134 -8.698 -6.521 7.052 1063 HB2 ARG 126 HB2 ARG 134 -10.557 -4.912 6.898 1064 HB3 ARG 126 HB3 ARG 134 -11.697 -6.094 7.450 1065 HG2 ARG 126 HG2 ARG 134 -9.287 -5.251 9.199 1066 HG3 ARG 126 HG3 ARG 134 -10.697 -4.290 8.999 1067 HD2 ARG 126 HD2 ARG 134 -11.182 -7.094 9.857 1068 HD3 ARG 126 HD3 ARG 134 -10.690 -5.928 11.062 1069 HE ARG 126 HE ARG 134 -12.797 -4.863 9.435 1070 HH11 ARG 126 HH11 ARG 134 -12.378 -7.521 11.764 1071 HH12 ARG 126 HH12 ARG 134 -14.067 -7.572 12.190 1072 HH21 ARG 126 HH21 ARG 134 -15.011 -4.988 9.965 1073 HH22 ARG 126 HH22 ARG 134 -15.565 -6.112 11.172 1074 H ILE 127 H ILE 135 -8.030 -7.881 8.583 1075 HA ILE 127 HA ILE 135 -9.023 -10.627 8.563 1076 HB ILE 127 HB ILE 135 -6.718 -9.398 10.143 1077 HG12 ILE 127 HG12 ILE 135 -6.533 -10.826 7.474 1078 HG13 ILE 127 HG13 ILE 135 -6.413 -9.104 7.654 1079 HG21 ILE 127 HG21 ILE 135 -5.855 -11.746 10.301 1080 HG22 ILE 127 HG22 ILE 135 -7.416 -11.605 11.064 1081 HG23 ILE 127 HG23 ILE 135 -7.287 -12.328 9.464 1082 HD11 ILE 127 HD11 ILE 135 -4.161 -9.433 7.838 1083 HD12 ILE 127 HD12 ILE 135 -4.469 -9.984 9.471 1084 HD13 ILE 127 HD13 ILE 135 -4.351 -11.150 8.159 1085 H2 2VN 201 H152 DRG 176 1.990 5.592 0.171 1086 H1 2VN 201 H151 DRG 176 0.709 6.122 1.209 1087 H18 2VN 201 H212 DRG 176 -2.020 1.468 -0.304 1088 H17 2VN 201 H211 DRG 176 -1.030 1.460 -1.708 1089 H20 2VN 201 H222 DRG 176 -1.960 -0.437 -2.336 1090 H19 2VN 201 H221 DRG 176 -1.070 -1.286 -1.135 1091 H22 2VN 201 H232 DRG 176 -3.881 -0.115 -0.709 1092 H21 2VN 201 H231 DRG 176 -3.554 -1.718 -1.246 1093 H23 2VN 201 H24 DRG 176 -2.239 -2.061 0.948 1094 H24 2VN 201 H251 DRG 176 -4.441 -3.082 0.471 1095 H25 2VN 201 H252 DRG 176 -5.228 -1.644 1.018 1096 H26 2VN 201 H261 DRG 176 -3.977 -3.831 2.627 1097 H27 2VN 201 H262 DRG 176 -5.383 -2.882 2.970 1098 H28 2VN 201 H271 DRG 176 -2.495 -2.325 3.629 1099 H29 2VN 201 H272 DRG 176 -3.900 -2.118 4.638 1100 H31 2VN 201 H282 DRG 176 -4.537 -0.100 3.299 1101 H30 2VN 201 H281 DRG 176 -2.965 0.081 4.006 1102 H32 2VN 201 H291 DRG 176 -3.382 0.687 1.464 1103 H33 2VN 201 H292 DRG 176 -1.870 -0.020 1.947 1104 H35 2VN 201 H112 DRG 176 3.672 0.638 -0.748 1105 H34 2VN 201 H111 DRG 176 3.680 0.360 -2.452 1106 H3 2VN 201 H14 DRG 176 0.816 4.369 2.649 1107 HK6 2VN 201 H7 DRG 176 3.733 -1.825 -3.277 1108 HL7 2VN 201 H6 DRG 176 3.683 -4.217 -2.891 1109 HL8 2VN 201 H8 DRG 176 2.081 -3.551 1.051 1110 HK9 2VN 201 H9 DRG 176 2.204 -1.131 0.679 1111 HJ2 2VN 201 H43 DRG 176 2.958 -9.051 -2.349 1112 HJ1 2VN 201 H42 DRG 176 1.875 -8.445 -1.099 1113 HJ0 2VN 201 H41 DRG 176 3.567 -8.705 -0.740 1114 HJ4 2VN 201 H32 DRG 176 4.838 -7.545 -3.267 1115 HJ5 2VN 201 H33 DRG 176 4.986 -5.870 -2.772 1116 HJ3 2VN 201 H31 DRG 176 5.365 -7.146 -1.644 1117 H4 2VN 201 H191 DRG 176 3.709 3.805 1.985 1118 H5 2VN 201 H192 DRG 176 2.777 2.939 3.171 1119 H7 2VN 201 H182 DRG 176 4.349 4.972 3.858 1120 H6 2VN 201 H181 DRG 176 2.878 4.680 4.727 1121 H9 2VN 201 H172 DRG 176 3.390 7.146 3.910 1122 H8 2VN 201 H171 DRG 176 1.765 6.535 3.835 1123 H11 2VN 201 H162 DRG 176 3.694 6.496 1.485 1124 H10 2VN 201 H161 DRG 176 2.439 7.678 1.702 1125 H14 2VN 201 H122 DRG 176 1.012 0.215 -2.194 1126 H13 2VN 201 H121 DRG 176 1.859 1.700 -2.456 1127 H16 2VN 201 H202 DRG 176 0.290 -0.254 0.202 1128 H15 2VN 201 H201 DRG 176 -0.223 1.147 1.065 1129 H12 2VN 201 HN2 DRG 176 0.254 2.733 1.399 Start of MODEL 3 1 H1 HIS -7 H1 HIS 1 -29.610 5.605 -0.493 2 H2 HIS -7 H2 HIS 1 -28.737 4.504 -1.294 3 H3 HIS -7 H3 HIS 1 -30.074 5.075 -2.039 4 HA HIS -7 HA HIS 1 -31.190 4.129 0.124 5 HB2 HIS -7 HB2 HIS 1 -31.494 1.890 -1.137 6 HB3 HIS -7 HB3 HIS 1 -31.605 3.185 -2.281 7 HD1 HIS -7 HD1 HIS 1 -29.343 0.345 -1.228 8 HD2 HIS -7 HD2 HIS 1 -29.558 3.179 -4.345 9 HE1 HIS -7 HE1 HIS 1 -27.671 -0.303 -3.015 10 H HIS -6 H HIS 2 -28.923 4.937 1.269 11 HA HIS -6 HA HIS 2 -27.696 2.442 2.342 12 HB2 HIS -6 HB2 HIS 2 -26.515 4.813 1.195 13 HB3 HIS -6 HB3 HIS 2 -26.186 4.890 2.893 14 HD1 HIS -6 HD1 HIS 2 -24.259 3.479 3.741 15 HD2 HIS -6 HD2 HIS 2 -25.537 2.254 -0.092 16 HE1 HIS -6 HE1 HIS 2 -22.616 1.771 2.859 17 H HIS -5 H HIS 3 -27.292 2.296 4.517 18 HA HIS -5 HA HIS 3 -29.213 3.393 6.337 19 HB2 HIS -5 HB2 HIS 3 -28.006 1.989 7.966 20 HB3 HIS -5 HB3 HIS 3 -28.301 1.096 6.508 21 HD1 HIS -5 HD1 HIS 3 -25.539 2.506 8.621 22 HD2 HIS -5 HD2 HIS 3 -25.880 0.416 4.971 23 HE1 HIS -5 HE1 HIS 3 -23.232 1.718 7.932 24 H HIS -4 H HIS 4 -28.662 4.476 8.370 25 HA HIS -4 HA HIS 4 -26.225 6.187 8.381 26 HB2 HIS -4 HB2 HIS 4 -29.122 7.104 8.620 27 HB3 HIS -4 HB3 HIS 4 -27.827 7.976 9.391 28 HD1 HIS -4 HD1 HIS 4 -28.742 6.855 5.825 29 HD2 HIS -4 HD2 HIS 4 -26.561 9.872 7.813 30 HE1 HIS -4 HE1 HIS 4 -27.951 8.533 4.109 31 H HIS -3 H HIS 5 -25.353 4.646 9.766 32 HA HIS -3 HA HIS 5 -26.480 4.532 12.534 33 HB2 HIS -3 HB2 HIS 5 -24.484 2.799 11.006 34 HB3 HIS -3 HB3 HIS 5 -24.521 2.820 12.750 35 HD1 HIS -3 HD1 HIS 5 -25.151 0.268 11.062 36 HD2 HIS -3 HD2 HIS 5 -28.068 2.774 12.799 37 HE1 HIS -3 HE1 HIS 5 -27.258 -1.082 11.416 38 H HIS -2 H HIS 6 -23.104 4.465 11.358 39 HA HIS -2 HA HIS 6 -22.391 6.523 13.310 40 HB2 HIS -2 HB2 HIS 6 -21.161 4.165 12.369 41 HB3 HIS -2 HB3 HIS 6 -20.238 5.405 11.581 42 HD1 HIS -2 HD1 HIS 6 -18.619 6.796 13.081 43 HD2 HIS -2 HD2 HIS 6 -21.078 4.175 15.296 44 HE1 HIS -2 HE1 HIS 6 -17.794 6.754 15.468 45 H VAL -1 H VAL 7 -20.676 8.118 12.612 46 HA VAL -1 HA VAL 7 -21.274 9.383 9.977 47 HB VAL -1 HB VAL 7 -21.198 11.570 11.106 48 HG11 VAL -1 HG11 VAL 7 -23.402 11.568 12.119 49 HG12 VAL -1 HG12 VAL 7 -23.387 10.526 10.703 50 HG13 VAL -1 HG13 VAL 7 -23.366 9.822 12.316 51 HG21 VAL -1 HG21 VAL 7 -21.350 11.815 13.564 52 HG22 VAL -1 HG22 VAL 7 -21.101 10.088 13.776 53 HG23 VAL -1 HG23 VAL 7 -19.818 11.095 13.113 54 H ALA 0 H ALA 8 -18.972 7.638 11.015 55 HA ALA 0 HA ALA 8 -16.819 9.127 9.843 56 HB1 ALA 0 HB1 ALA 8 -15.355 9.150 11.908 57 HB2 ALA 0 HB2 ALA 8 -16.751 10.190 12.110 58 HB3 ALA 0 HB3 ALA 8 -16.722 8.605 12.876 59 H MET 1 H MET 9 -14.762 7.878 9.937 60 HA MET 1 HA MET 9 -15.011 4.965 10.410 61 HB2 MET 1 HB2 MET 9 -13.950 6.372 7.905 62 HB3 MET 1 HB3 MET 9 -13.560 4.729 8.256 63 HG2 MET 1 HG2 MET 9 -16.333 5.828 7.658 64 HG3 MET 1 HG3 MET 9 -15.372 4.779 6.655 65 HE1 MET 1 HE1 MET 9 -15.468 1.373 8.693 66 HE2 MET 1 HE2 MET 9 -14.741 2.225 7.320 67 HE3 MET 1 HE3 MET 9 -14.274 2.636 8.980 68 H SER 2 H SER 10 -12.814 3.934 10.357 69 HA SER 2 HA SER 10 -10.611 5.691 11.254 70 HB2 SER 2 HB2 SER 10 -11.775 4.894 13.320 71 HB3 SER 2 HB3 SER 10 -11.641 3.233 12.777 72 HG SER 2 HG SER 10 -9.997 3.847 14.239 73 H PHE 3 H PHE 11 -8.614 4.963 10.715 74 HA PHE 3 HA PHE 11 -8.398 2.900 8.663 75 HB2 PHE 3 HB2 PHE 11 -6.509 4.926 9.887 76 HB3 PHE 3 HB3 PHE 11 -5.928 3.699 8.817 77 HD1 PHE 3 HD1 PHE 11 -6.638 3.634 6.399 78 HD2 PHE 3 HD2 PHE 11 -7.938 6.767 9.071 79 HE1 PHE 3 HE1 PHE 11 -7.359 5.010 4.480 80 HE2 PHE 3 HE2 PHE 11 -8.636 8.095 7.160 81 HZ PHE 3 HZ PHE 11 -8.303 7.253 4.859 82 H SER 4 H SER 12 -7.777 3.111 12.102 83 HA SER 4 HA SER 12 -5.724 1.298 12.455 84 HB2 SER 4 HB2 SER 12 -8.051 2.155 14.240 85 HB3 SER 4 HB3 SER 12 -6.751 1.125 14.813 86 HG SER 4 HG SER 12 -6.337 3.342 15.169 87 H GLY 5 H GLY 13 -5.567 -0.749 11.775 88 HA2 GLY 5 HA2 GLY 13 -6.848 -2.949 12.788 89 HA3 GLY 5 HA3 GLY 13 -7.859 -2.516 11.406 90 H LYS 6 H LYS 14 -6.389 -4.928 11.524 91 HA LYS 6 HA LYS 14 -4.200 -4.592 9.564 92 HB2 LYS 6 HB2 LYS 14 -4.622 -6.408 11.807 93 HB3 LYS 6 HB3 LYS 14 -4.675 -7.356 10.367 94 HG2 LYS 6 HG2 LYS 14 -2.448 -5.835 9.807 95 HG3 LYS 6 HG3 LYS 14 -2.392 -5.848 11.554 96 HD2 LYS 6 HD2 LYS 14 -2.369 -8.228 9.679 97 HD3 LYS 6 HD3 LYS 14 -1.017 -7.598 10.562 98 HE2 LYS 6 HE2 LYS 14 -2.077 -8.253 12.726 99 HE3 LYS 6 HE3 LYS 14 -3.477 -8.873 11.868 100 HZ1 LYS 6 HZ1 LYS 14 -1.945 -10.597 12.378 101 HZ2 LYS 6 HZ2 LYS 14 -2.048 -10.421 10.741 102 HZ3 LYS 6 HZ3 LYS 14 -0.731 -9.847 11.554 103 H TYR 7 H TYR 15 -4.167 -5.623 7.590 104 HA TYR 7 HA TYR 15 -6.640 -6.909 6.604 105 HB2 TYR 7 HB2 TYR 15 -5.208 -4.625 5.161 106 HB3 TYR 7 HB3 TYR 15 -6.629 -5.485 4.629 107 HD1 TYR 7 HD1 TYR 15 -5.389 -3.062 7.159 108 HD2 TYR 7 HD2 TYR 15 -8.836 -4.814 5.268 109 HE1 TYR 7 HE1 TYR 15 -6.840 -1.352 8.221 110 HE2 TYR 7 HE2 TYR 15 -10.289 -3.126 6.335 111 HH TYR 7 HH TYR 15 -8.981 -0.562 8.479 112 H GLN 8 H GLN 16 -6.281 -8.383 4.903 113 HA GLN 8 HA GLN 16 -3.443 -9.165 4.367 114 HB2 GLN 8 HB2 GLN 16 -4.249 -11.419 4.182 115 HB3 GLN 8 HB3 GLN 16 -4.769 -10.766 5.690 116 HG2 GLN 8 HG2 GLN 16 -6.980 -10.237 3.970 117 HG3 GLN 8 HG3 GLN 16 -6.364 -11.745 3.367 118 HE21 GLN 8 HE21 GLN 16 -8.731 -10.596 5.223 119 HE22 GLN 8 HE22 GLN 16 -8.858 -11.848 6.427 120 H LEU 9 H LEU 17 -2.872 -9.719 2.208 121 HA LEU 9 HA LEU 17 -4.050 -8.214 0.122 122 HB2 LEU 9 HB2 LEU 17 -1.651 -9.140 0.488 123 HB3 LEU 9 HB3 LEU 17 -2.208 -10.614 -0.216 124 HG LEU 9 HG LEU 17 -2.059 -7.836 -1.435 125 HD11 LEU 9 HD11 LEU 17 -0.053 -8.396 -2.301 126 HD12 LEU 9 HD12 LEU 17 -0.062 -9.779 -1.222 127 HD13 LEU 9 HD13 LEU 17 -0.597 -9.960 -2.876 128 HD21 LEU 9 HD21 LEU 17 -2.562 -9.137 -3.705 129 HD22 LEU 9 HD22 LEU 17 -3.464 -10.203 -2.647 130 HD23 LEU 9 HD23 LEU 17 -3.842 -8.475 -2.722 131 H GLN 10 H GLN 18 -5.678 -8.619 -1.269 132 HA GLN 10 HA GLN 18 -6.948 -11.326 -1.358 133 HB2 GLN 10 HB2 GLN 18 -8.092 -8.526 -1.792 134 HB3 GLN 10 HB3 GLN 18 -8.982 -9.986 -2.090 135 HG2 GLN 10 HG2 GLN 18 -7.853 -9.204 0.647 136 HG3 GLN 10 HG3 GLN 18 -9.478 -8.876 0.104 137 HE21 GLN 10 HE21 GLN 18 -7.400 -11.214 1.558 138 HE22 GLN 10 HE22 GLN 18 -8.564 -12.508 1.661 139 H SER 11 H SER 19 -6.193 -8.407 -3.361 140 HA SER 11 HA SER 19 -5.641 -10.026 -5.709 141 HB2 SER 11 HB2 SER 19 -8.330 -8.757 -5.264 142 HB3 SER 11 HB3 SER 19 -7.595 -8.290 -6.774 143 HG SER 11 HG SER 19 -8.764 -10.178 -7.015 144 H GLN 12 H GLN 20 -5.194 -8.605 -7.650 145 HA GLN 12 HA GLN 20 -4.320 -5.944 -7.239 146 HB2 GLN 12 HB2 GLN 20 -1.838 -6.394 -7.397 147 HB3 GLN 12 HB3 GLN 20 -2.581 -6.778 -5.886 148 HG2 GLN 12 HG2 GLN 20 -2.652 -9.259 -6.661 149 HG3 GLN 12 HG3 GLN 20 -1.679 -8.774 -8.027 150 HE21 GLN 12 HE21 GLN 20 -0.422 -10.623 -6.833 151 HE22 GLN 12 HE22 GLN 20 0.762 -10.088 -5.667 152 H GLU 13 H GLU 21 -4.358 -4.962 -9.146 153 HA GLU 13 HA GLU 21 -4.128 -6.559 -11.665 154 HB2 GLU 13 HB2 GLU 21 -5.651 -3.958 -11.150 155 HB3 GLU 13 HB3 GLU 21 -5.467 -4.724 -12.688 156 HG2 GLU 13 HG2 GLU 21 -7.630 -5.339 -12.008 157 HG3 GLU 13 HG3 GLU 21 -6.682 -6.781 -11.760 158 H ASN 14 H ASN 22 -2.866 -5.770 -13.311 159 HA ASN 14 HA ASN 22 -1.033 -5.066 -14.198 160 HB2 ASN 14 HB2 ASN 22 -1.839 -2.431 -12.878 161 HB3 ASN 14 HB3 ASN 22 -0.392 -2.496 -13.827 162 HD21 ASN 14 HD21 ASN 22 -3.014 -1.079 -14.266 163 HD22 ASN 14 HD22 ASN 22 -3.372 -1.450 -15.937 164 H PHE 15 H PHE 23 -0.728 -6.571 -11.861 165 HA PHE 15 HA PHE 23 1.265 -5.516 -10.122 166 HB2 PHE 15 HB2 PHE 23 -0.195 -7.341 -9.451 167 HB3 PHE 15 HB3 PHE 23 0.435 -8.389 -10.693 168 HD1 PHE 15 HD1 PHE 23 1.171 -6.697 -7.468 169 HD2 PHE 15 HD2 PHE 23 2.720 -9.402 -10.449 170 HE1 PHE 15 HE1 PHE 23 3.004 -7.318 -5.966 171 HE2 PHE 15 HE2 PHE 23 4.559 -9.957 -8.937 172 HZ PHE 15 HZ PHE 23 4.713 -8.932 -6.702 173 H GLU 16 H GLU 24 1.616 -7.914 -12.848 174 HA GLU 16 HA GLU 24 4.446 -7.769 -12.911 175 HB2 GLU 16 HB2 GLU 24 2.500 -8.521 -15.135 176 HB3 GLU 16 HB3 GLU 24 4.228 -8.692 -15.221 177 HG2 GLU 16 HG2 GLU 24 3.996 -10.176 -13.062 178 HG3 GLU 16 HG3 GLU 24 2.286 -10.182 -13.387 179 H ALA 17 H ALA 25 1.969 -5.835 -14.653 180 HA ALA 17 HA ALA 25 3.694 -4.533 -16.455 181 HB1 ALA 17 HB1 ALA 25 1.812 -2.890 -16.658 182 HB2 ALA 17 HB2 ALA 25 1.241 -4.552 -16.710 183 HB3 ALA 17 HB3 ALA 25 1.048 -3.603 -15.242 184 H PHE 18 H PHE 26 2.640 -3.519 -13.148 185 HA PHE 18 HA PHE 26 4.187 -1.095 -13.172 186 HB2 PHE 18 HB2 PHE 26 2.216 -1.233 -11.873 187 HB3 PHE 18 HB3 PHE 26 2.771 -2.620 -10.971 188 HD1 PHE 18 HD1 PHE 26 4.271 -2.377 -9.045 189 HD2 PHE 18 HD2 PHE 26 3.280 1.047 -11.482 190 HE1 PHE 18 HE1 PHE 26 5.235 -0.868 -7.353 191 HE2 PHE 18 HE2 PHE 26 4.251 2.520 -9.757 192 HZ PHE 18 HZ PHE 26 5.225 1.570 -7.714 193 H MET 19 H MET 27 4.753 -4.344 -11.699 194 HA MET 19 HA MET 27 7.180 -3.617 -10.451 195 HB2 MET 19 HB2 MET 27 6.055 -6.308 -11.170 196 HB3 MET 19 HB3 MET 27 7.552 -6.071 -10.293 197 HG2 MET 19 HG2 MET 27 5.699 -4.436 -8.905 198 HG3 MET 19 HG3 MET 27 4.794 -5.876 -9.276 199 HE1 MET 19 HE1 MET 27 5.894 -6.015 -5.474 200 HE2 MET 19 HE2 MET 27 5.973 -4.478 -6.347 201 HE3 MET 19 HE3 MET 27 4.598 -5.560 -6.589 202 H LYS 20 H LYS 28 6.612 -4.896 -13.775 203 HA LYS 20 HA LYS 28 9.440 -5.025 -14.380 204 HB2 LYS 20 HB2 LYS 28 6.943 -4.970 -16.133 205 HB3 LYS 20 HB3 LYS 28 8.547 -5.070 -16.786 206 HG2 LYS 20 HG2 LYS 28 7.354 -7.164 -14.926 207 HG3 LYS 20 HG3 LYS 28 7.433 -7.269 -16.657 208 HD2 LYS 20 HD2 LYS 28 10.009 -7.069 -16.435 209 HD3 LYS 20 HD3 LYS 28 9.791 -7.216 -14.713 210 HE2 LYS 20 HE2 LYS 28 10.345 -9.399 -15.520 211 HE3 LYS 20 HE3 LYS 28 8.655 -9.460 -15.058 212 HZ1 LYS 20 HZ1 LYS 28 8.994 -10.524 -17.094 213 HZ2 LYS 20 HZ2 LYS 28 8.090 -9.176 -17.370 214 HZ3 LYS 20 HZ3 LYS 28 9.690 -9.190 -17.787 215 H ALA 21 H ALA 29 7.013 -2.416 -14.458 216 HA ALA 21 HA ALA 29 8.587 -0.664 -16.114 217 HB1 ALA 21 HB1 ALA 29 6.881 1.028 -15.455 218 HB2 ALA 21 HB2 ALA 29 6.177 -0.444 -16.106 219 HB3 ALA 21 HB3 ALA 29 6.138 -0.138 -14.369 220 H ILE 22 H ILE 30 8.208 -0.992 -12.540 221 HA ILE 22 HA ILE 30 10.002 1.224 -11.970 222 HB ILE 22 HB ILE 30 10.050 0.294 -9.652 223 HG12 ILE 22 HG12 ILE 30 8.030 -1.706 -10.611 224 HG13 ILE 22 HG13 ILE 30 9.655 -2.146 -10.284 225 HG21 ILE 22 HG21 ILE 30 7.760 0.934 -9.068 226 HG22 ILE 22 HG22 ILE 30 8.402 1.986 -10.309 227 HG23 ILE 22 HG23 ILE 30 7.242 0.724 -10.738 228 HD11 ILE 22 HD11 ILE 30 8.496 -2.735 -8.298 229 HD12 ILE 22 HD12 ILE 30 9.148 -1.156 -7.850 230 HD13 ILE 22 HD13 ILE 30 7.465 -1.321 -8.346 231 H GLY 23 H GLY 31 10.529 -1.964 -13.109 232 HA2 GLY 23 HA2 GLY 31 12.544 -2.740 -13.885 233 HA3 GLY 23 HA3 GLY 31 13.429 -1.564 -12.942 234 H LEU 24 H LEU 32 10.976 -3.650 -11.332 235 HA LEU 24 HA LEU 32 13.001 -4.869 -9.693 236 HB2 LEU 24 HB2 LEU 32 9.997 -4.842 -9.759 237 HB3 LEU 24 HB3 LEU 32 10.682 -6.339 -9.227 238 HG LEU 24 HG LEU 32 12.064 -5.175 -7.557 239 HD11 LEU 24 HD11 LEU 32 10.918 -2.679 -7.119 240 HD12 LEU 24 HD12 LEU 32 12.490 -2.995 -7.855 241 HD13 LEU 24 HD13 LEU 32 11.116 -2.725 -8.863 242 HD21 LEU 24 HD21 LEU 32 10.435 -5.193 -5.930 243 HD22 LEU 24 HD22 LEU 32 9.227 -4.390 -6.923 244 HD23 LEU 24 HD23 LEU 32 9.610 -6.083 -7.196 245 HA PRO 25 HA PRO 33 13.791 -8.413 -12.331 246 HB2 PRO 25 HB2 PRO 33 14.776 -10.208 -10.491 247 HB3 PRO 25 HB3 PRO 33 15.650 -8.760 -10.970 248 HG2 PRO 25 HG2 PRO 33 13.844 -9.095 -8.566 249 HG3 PRO 25 HG3 PRO 33 15.513 -8.522 -8.547 250 HD2 PRO 25 HD2 PRO 33 13.463 -6.764 -8.568 251 HD3 PRO 25 HD3 PRO 33 14.867 -6.431 -9.591 252 H GLU 26 H GLU 34 12.927 -10.434 -12.906 253 HA GLU 26 HA GLU 34 10.198 -10.668 -12.322 254 HB2 GLU 26 HB2 GLU 34 11.409 -11.116 -14.480 255 HB3 GLU 26 HB3 GLU 34 11.957 -12.627 -13.827 256 HG2 GLU 26 HG2 GLU 34 9.745 -13.572 -13.775 257 HG3 GLU 26 HG3 GLU 34 8.979 -11.998 -13.875 258 H GLU 27 H GLU 35 12.885 -12.191 -10.678 259 HA GLU 27 HA GLU 35 11.457 -14.372 -9.512 260 HB2 GLU 27 HB2 GLU 35 13.868 -14.342 -9.612 261 HB3 GLU 27 HB3 GLU 35 13.968 -12.889 -8.658 262 HG2 GLU 27 HG2 GLU 35 13.050 -14.097 -6.658 263 HG3 GLU 27 HG3 GLU 35 12.836 -15.543 -7.619 264 H LEU 28 H LEU 36 12.010 -10.980 -8.385 265 HA LEU 28 HA LEU 36 10.544 -11.213 -5.945 266 HB2 LEU 28 HB2 LEU 36 11.258 -8.823 -7.708 267 HB3 LEU 28 HB3 LEU 36 10.400 -8.642 -6.211 268 HG LEU 28 HG LEU 36 13.181 -9.841 -6.452 269 HD11 LEU 28 HD11 LEU 36 14.010 -7.740 -6.343 270 HD12 LEU 28 HD12 LEU 36 12.381 -7.100 -6.492 271 HD13 LEU 28 HD13 LEU 36 13.070 -7.361 -4.912 272 HD21 LEU 28 HD21 LEU 36 13.030 -9.306 -3.821 273 HD22 LEU 28 HD22 LEU 36 11.317 -9.555 -4.110 274 HD23 LEU 28 HD23 LEU 36 12.489 -10.832 -4.482 275 H ILE 29 H ILE 37 9.536 -10.679 -9.284 276 HA ILE 29 HA ILE 37 6.834 -9.916 -8.671 277 HB ILE 29 HB ILE 37 8.216 -10.874 -11.194 278 HG12 ILE 29 HG12 ILE 37 6.983 -8.241 -10.410 279 HG13 ILE 29 HG13 ILE 37 8.685 -8.568 -10.269 280 HG21 ILE 29 HG21 ILE 37 6.234 -10.353 -12.534 281 HG22 ILE 29 HG22 ILE 37 5.840 -11.649 -11.445 282 HG23 ILE 29 HG23 ILE 37 5.294 -10.013 -11.088 283 HD11 ILE 29 HD11 ILE 37 8.669 -7.454 -12.313 284 HD12 ILE 29 HD12 ILE 37 8.523 -9.112 -12.877 285 HD13 ILE 29 HD13 ILE 37 7.090 -8.082 -12.780 286 H GLN 30 H GLN 38 8.359 -13.055 -9.733 287 HA GLN 30 HA GLN 38 5.960 -14.514 -9.712 288 HB2 GLN 30 HB2 GLN 38 8.822 -15.512 -9.295 289 HB3 GLN 30 HB3 GLN 38 7.446 -16.545 -9.505 290 HG2 GLN 30 HG2 GLN 38 8.938 -15.004 -11.573 291 HG3 GLN 30 HG3 GLN 38 8.279 -16.591 -11.635 292 HE21 GLN 30 HE21 GLN 38 7.872 -13.354 -12.645 293 HE22 GLN 30 HE22 GLN 38 6.274 -13.511 -13.329 294 H LYS 31 H LYS 39 8.361 -14.258 -6.979 295 HA LYS 31 HA LYS 39 6.621 -15.752 -5.240 296 HB2 LYS 31 HB2 LYS 39 8.151 -15.319 -3.505 297 HB3 LYS 31 HB3 LYS 39 9.039 -15.690 -4.940 298 HG2 LYS 31 HG2 LYS 39 10.247 -14.002 -3.847 299 HG3 LYS 31 HG3 LYS 39 9.519 -13.198 -5.199 300 HD2 LYS 31 HD2 LYS 39 8.071 -11.924 -3.886 301 HD3 LYS 31 HD3 LYS 39 8.068 -13.053 -2.549 302 HE2 LYS 31 HE2 LYS 39 10.286 -12.320 -1.849 303 HE3 LYS 31 HE3 LYS 39 10.550 -11.494 -3.366 304 HZ1 LYS 31 HZ1 LYS 39 9.978 -9.967 -1.650 305 HZ2 LYS 31 HZ2 LYS 39 8.810 -9.966 -2.815 306 HZ3 LYS 31 HZ3 LYS 39 8.539 -10.730 -1.380 307 H GLY 32 H GLY 40 6.513 -12.420 -6.256 308 HA2 GLY 32 HA2 GLY 40 5.209 -11.368 -3.873 309 HA3 GLY 32 HA3 GLY 40 5.449 -10.577 -5.414 310 H LYS 33 H LYS 41 4.145 -12.783 -7.004 311 HA LYS 33 HA LYS 41 1.305 -12.267 -6.338 312 HB2 LYS 33 HB2 LYS 41 0.825 -12.974 -8.640 313 HB3 LYS 33 HB3 LYS 41 1.809 -11.564 -8.512 314 HG2 LYS 33 HG2 LYS 41 3.391 -12.420 -9.821 315 HG3 LYS 33 HG3 LYS 41 3.653 -13.758 -8.754 316 HD2 LYS 33 HD2 LYS 41 1.607 -13.685 -11.008 317 HD3 LYS 33 HD3 LYS 41 3.164 -14.469 -11.050 318 HE2 LYS 33 HE2 LYS 41 2.342 -15.775 -8.945 319 HE3 LYS 33 HE3 LYS 41 0.726 -15.270 -9.383 320 HZ1 LYS 33 HZ1 LYS 41 1.351 -17.405 -10.262 321 HZ2 LYS 33 HZ2 LYS 41 1.061 -16.351 -11.507 322 HZ3 LYS 33 HZ3 LYS 41 2.610 -16.750 -11.089 323 H ASP 34 H ASP 42 3.645 -14.967 -6.507 324 HA ASP 34 HA ASP 42 1.616 -16.981 -6.130 325 HB2 ASP 34 HB2 ASP 42 4.609 -17.138 -5.681 326 HB3 ASP 34 HB3 ASP 42 3.539 -18.508 -5.492 327 H ILE 35 H ILE 43 3.546 -14.983 -3.867 328 HA ILE 35 HA ILE 43 2.207 -16.380 -1.575 329 HB ILE 35 HB ILE 43 4.697 -14.625 -1.451 330 HG12 ILE 35 HG12 ILE 43 4.691 -17.667 -1.386 331 HG13 ILE 35 HG13 ILE 43 5.141 -16.755 -2.797 332 HG21 ILE 35 HG21 ILE 43 4.973 -15.646 0.809 333 HG22 ILE 35 HG22 ILE 43 3.483 -14.743 0.683 334 HG23 ILE 35 HG23 ILE 43 3.454 -16.501 0.601 335 HD11 ILE 35 HD11 ILE 43 7.234 -17.133 -1.872 336 HD12 ILE 35 HD12 ILE 43 6.886 -15.546 -1.197 337 HD13 ILE 35 HD13 ILE 43 6.670 -16.993 -0.213 338 H LYS 36 H LYS 44 0.550 -15.250 -0.765 339 HA LYS 36 HA LYS 44 0.115 -12.433 -1.212 340 HB2 LYS 36 HB2 LYS 44 -1.280 -14.641 0.348 341 HB3 LYS 36 HB3 LYS 44 -1.566 -13.003 0.817 342 HG2 LYS 36 HG2 LYS 44 -3.308 -13.380 -0.588 343 HG3 LYS 36 HG3 LYS 44 -2.230 -12.377 -1.514 344 HD2 LYS 36 HD2 LYS 44 -1.456 -14.348 -2.805 345 HD3 LYS 36 HD3 LYS 44 -2.470 -15.396 -1.837 346 HE2 LYS 36 HE2 LYS 44 -4.511 -14.080 -2.606 347 HE3 LYS 36 HE3 LYS 44 -3.469 -13.104 -3.626 348 HZ1 LYS 36 HZ1 LYS 44 -4.485 -14.872 -4.827 349 HZ2 LYS 36 HZ2 LYS 44 -2.851 -15.099 -4.794 350 HZ3 LYS 36 HZ3 LYS 44 -3.831 -16.010 -3.829 351 H GLY 37 H GLY 45 0.533 -10.731 0.056 352 HA2 GLY 37 HA2 GLY 45 2.233 -11.007 2.479 353 HA3 GLY 37 HA3 GLY 45 1.877 -9.555 1.559 354 H VAL 38 H VAL 46 1.647 -9.138 4.054 355 HA VAL 38 HA VAL 46 -1.248 -8.830 4.601 356 HB VAL 38 HB VAL 46 0.913 -9.657 6.607 357 HG11 VAL 38 HG11 VAL 46 -0.898 -9.593 8.351 358 HG12 VAL 38 HG12 VAL 46 -0.420 -8.005 7.796 359 HG13 VAL 38 HG13 VAL 46 -1.916 -8.727 7.204 360 HG21 VAL 38 HG21 VAL 46 -0.577 -11.588 7.092 361 HG22 VAL 38 HG22 VAL 46 -1.652 -11.079 5.794 362 HG23 VAL 38 HG23 VAL 46 -0.009 -11.602 5.436 363 H SER 39 H SER 47 -1.736 -6.814 5.667 364 HA SER 39 HA SER 47 0.432 -4.797 5.696 365 HB2 SER 39 HB2 SER 47 -0.468 -4.997 3.358 366 HB3 SER 39 HB3 SER 47 -2.072 -4.620 3.946 367 HG SER 39 HG SER 47 -1.255 -2.612 4.654 368 H GLU 40 H GLU 48 0.287 -4.016 7.710 369 HA GLU 40 HA GLU 48 -2.343 -3.663 9.009 370 HB2 GLU 40 HB2 GLU 48 -0.340 -4.786 10.166 371 HB3 GLU 40 HB3 GLU 48 0.421 -3.217 10.138 372 HG2 GLU 40 HG2 GLU 48 -1.181 -2.209 11.601 373 HG3 GLU 40 HG3 GLU 48 -2.274 -3.560 11.479 374 H ILE 41 H ILE 49 -3.079 -1.742 9.783 375 HA ILE 41 HA ILE 49 -1.788 0.781 8.863 376 HB ILE 41 HB ILE 49 -4.801 0.279 8.867 377 HG12 ILE 41 HG12 ILE 49 -2.953 -0.260 6.539 378 HG13 ILE 41 HG13 ILE 49 -4.048 -1.357 7.284 379 HG21 ILE 41 HG21 ILE 49 -4.866 2.300 7.468 380 HG22 ILE 41 HG22 ILE 49 -3.913 2.648 8.901 381 HG23 ILE 41 HG23 ILE 49 -3.118 2.328 7.362 382 HD11 ILE 41 HD11 ILE 49 -5.222 -0.759 5.351 383 HD12 ILE 41 HD12 ILE 49 -5.947 0.334 6.526 384 HD13 ILE 41 HD13 ILE 49 -4.715 0.922 5.408 385 H VAL 42 H VAL 50 -1.600 2.168 10.567 386 HA VAL 42 HA VAL 50 -3.327 1.842 12.983 387 HB VAL 42 HB VAL 50 -0.305 2.191 12.844 388 HG11 VAL 42 HG11 VAL 50 -0.315 2.148 15.359 389 HG12 VAL 42 HG12 VAL 50 -1.054 3.593 14.712 390 HG13 VAL 42 HG13 VAL 50 -2.070 2.290 15.329 391 HG21 VAL 42 HG21 VAL 50 -0.182 0.074 14.165 392 HG22 VAL 42 HG22 VAL 50 -1.919 -0.130 13.952 393 HG23 VAL 42 HG23 VAL 50 -0.839 -0.145 12.559 394 H GLN 43 H GLN 51 -4.242 3.719 13.521 395 HA GLN 43 HA GLN 51 -3.026 6.317 12.665 396 HB2 GLN 43 HB2 GLN 51 -5.047 5.685 11.369 397 HB3 GLN 43 HB3 GLN 51 -5.936 5.431 12.848 398 HG2 GLN 43 HG2 GLN 51 -5.530 7.946 13.375 399 HG3 GLN 43 HG3 GLN 51 -4.877 8.093 11.760 400 HE21 GLN 43 HE21 GLN 51 -6.802 9.756 12.019 401 HE22 GLN 43 HE22 GLN 51 -8.356 9.193 11.458 402 H ASN 44 H ASN 52 -2.747 7.779 14.295 403 HA ASN 44 HA ASN 52 -4.166 7.510 16.825 404 HB2 ASN 44 HB2 ASN 52 -2.145 7.405 18.218 405 HB3 ASN 44 HB3 ASN 52 -2.382 5.963 17.283 406 HD21 ASN 44 HD21 ASN 52 -1.030 5.753 15.192 407 HD22 ASN 44 HD22 ASN 52 0.605 6.355 15.289 408 H GLY 45 H GLY 53 -5.121 9.344 15.885 409 HA2 GLY 45 HA2 GLY 53 -5.501 11.595 15.847 410 HA3 GLY 45 HA3 GLY 53 -4.025 11.860 16.765 411 H LYS 46 H LYS 54 -2.525 13.016 15.657 412 HA LYS 46 HA LYS 54 -2.560 13.305 12.783 413 HB2 LYS 46 HB2 LYS 54 -1.098 14.541 15.113 414 HB3 LYS 46 HB3 LYS 54 -0.322 14.653 13.570 415 HG2 LYS 46 HG2 LYS 54 -3.207 15.513 13.876 416 HG3 LYS 46 HG3 LYS 54 -1.874 16.590 14.196 417 HD2 LYS 46 HD2 LYS 54 -1.032 16.398 11.925 418 HD3 LYS 46 HD3 LYS 54 -2.137 15.115 11.527 419 HE2 LYS 46 HE2 LYS 54 -4.075 16.678 11.754 420 HE3 LYS 46 HE3 LYS 54 -2.984 17.973 12.220 421 HZ1 LYS 46 HZ1 LYS 54 -3.519 18.081 9.916 422 HZ2 LYS 46 HZ2 LYS 54 -1.908 17.765 10.098 423 HZ3 LYS 46 HZ3 LYS 54 -2.932 16.560 9.653 424 H HIS 47 H HIS 55 -0.646 11.348 15.073 425 HA HIS 47 HA HIS 55 1.324 10.644 13.051 426 HB2 HIS 47 HB2 HIS 55 0.983 10.205 15.945 427 HB3 HIS 47 HB3 HIS 55 1.394 8.716 15.154 428 HD1 HIS 47 HD1 HIS 55 3.455 9.455 13.052 429 HD2 HIS 47 HD2 HIS 55 3.431 11.162 16.913 430 HE1 HIS 47 HE1 HIS 55 5.775 10.292 13.567 431 H PHE 48 H PHE 56 1.701 8.541 12.234 432 HA PHE 48 HA PHE 56 -0.547 6.672 12.069 433 HB2 PHE 48 HB2 PHE 56 -0.629 8.767 10.343 434 HB3 PHE 48 HB3 PHE 56 0.615 7.894 9.531 435 HD1 PHE 48 HD1 PHE 56 -2.896 8.341 9.947 436 HD2 PHE 48 HD2 PHE 56 0.027 5.329 8.923 437 HE1 PHE 48 HE1 PHE 56 -4.630 7.018 8.805 438 HE2 PHE 48 HE2 PHE 56 -1.734 4.038 7.812 439 HZ PHE 48 HZ PHE 56 -4.048 4.884 7.725 440 H LYS 49 H LYS 57 0.327 4.652 11.968 441 HA LYS 49 HA LYS 57 3.087 4.251 10.906 442 HB2 LYS 49 HB2 LYS 57 1.683 2.894 13.257 443 HB3 LYS 49 HB3 LYS 57 2.948 2.110 12.356 444 HG2 LYS 49 HG2 LYS 57 4.493 4.010 12.850 445 HG3 LYS 49 HG3 LYS 57 3.277 4.708 13.892 446 HD2 LYS 49 HD2 LYS 57 3.281 2.635 15.295 447 HD3 LYS 49 HD3 LYS 57 4.398 1.874 14.206 448 HE2 LYS 49 HE2 LYS 57 5.700 2.565 16.066 449 HE3 LYS 49 HE3 LYS 57 6.120 3.687 14.787 450 HZ1 LYS 49 HZ1 LYS 57 5.724 4.730 16.907 451 HZ2 LYS 49 HZ2 LYS 57 4.670 5.290 15.787 452 HZ3 LYS 49 HZ3 LYS 57 4.160 4.202 16.927 453 H PHE 50 H PHE 58 3.396 2.408 9.620 454 HA PHE 50 HA PHE 58 1.027 0.873 8.750 455 HB2 PHE 50 HB2 PHE 58 1.495 3.082 7.333 456 HB3 PHE 50 HB3 PHE 58 2.881 2.233 6.723 457 HD1 PHE 50 HD1 PHE 58 -0.772 2.464 6.776 458 HD2 PHE 50 HD2 PHE 58 2.533 0.126 5.321 459 HE1 PHE 50 HE1 PHE 58 -2.251 1.374 5.144 460 HE2 PHE 50 HE2 PHE 58 1.022 -0.983 3.729 461 HZ PHE 50 HZ PHE 58 -1.361 -0.350 3.626 462 H THR 51 H THR 59 1.632 -1.252 8.588 463 HA THR 51 HA THR 59 4.552 -1.916 8.436 464 HB THR 51 HB THR 59 2.376 -3.649 9.683 465 HG1 THR 51 HG1 THR 59 3.224 -2.998 11.649 466 HG21 THR 51 HG21 THR 59 4.276 -4.858 10.722 467 HG22 THR 51 HG22 THR 59 4.288 -4.992 8.974 468 HG23 THR 51 HG23 THR 59 5.405 -3.897 9.773 469 H ILE 52 H ILE 60 5.099 -2.731 6.543 470 HA ILE 52 HA ILE 60 3.141 -4.169 4.830 471 HB ILE 52 HB ILE 60 5.984 -3.162 4.246 472 HG12 ILE 52 HG12 ILE 60 4.485 -1.699 2.558 473 HG13 ILE 52 HG13 ILE 60 3.282 -1.901 3.785 474 HG21 ILE 52 HG21 ILE 60 5.411 -3.669 1.846 475 HG22 ILE 52 HG22 ILE 60 5.535 -5.104 2.832 476 HG23 ILE 52 HG23 ILE 60 3.950 -4.478 2.411 477 HD11 ILE 52 HD11 ILE 60 4.729 0.209 3.961 478 HD12 ILE 52 HD12 ILE 60 4.741 -0.739 5.439 479 HD13 ILE 52 HD13 ILE 60 6.110 -0.810 4.335 480 H THR 53 H THR 61 3.166 -6.353 5.008 481 HA THR 53 HA THR 61 5.699 -7.753 5.756 482 HB THR 53 HB THR 61 2.815 -8.661 6.109 483 HG1 THR 53 HG1 THR 61 3.473 -8.589 8.327 484 HG21 THR 53 HG21 THR 61 3.820 -10.577 7.399 485 HG22 THR 53 HG22 THR 61 4.185 -10.663 5.689 486 HG23 THR 53 HG23 THR 61 5.416 -10.105 6.818 487 H ALA 54 H ALA 62 6.637 -8.355 3.927 488 HA ALA 54 HA ALA 62 5.221 -9.084 1.480 489 HB1 ALA 54 HB1 ALA 62 7.519 -9.278 0.579 490 HB2 ALA 54 HB2 ALA 62 7.371 -7.781 1.476 491 HB3 ALA 54 HB3 ALA 62 8.194 -9.154 2.205 492 H GLY 55 H GLY 63 6.845 -11.203 0.585 493 HA2 GLY 55 HA2 GLY 63 5.448 -13.453 1.561 494 HA3 GLY 55 HA3 GLY 63 6.836 -13.483 0.490 495 H SER 56 H SER 64 8.558 -12.073 2.640 496 HA SER 56 HA SER 64 8.616 -13.742 4.960 497 HB2 SER 56 HB2 SER 64 10.715 -14.932 4.573 498 HB3 SER 56 HB3 SER 64 9.600 -15.371 3.311 499 HG SER 56 HG SER 64 11.684 -14.872 2.533 500 H LYS 57 H LYS 65 8.659 -10.830 4.082 501 HA LYS 57 HA LYS 65 10.875 -9.944 5.838 502 HB2 LYS 57 HB2 LYS 65 10.407 -9.299 2.942 503 HB3 LYS 57 HB3 LYS 65 10.592 -7.895 3.916 504 HG2 LYS 57 HG2 LYS 65 12.607 -10.167 3.798 505 HG3 LYS 57 HG3 LYS 65 12.722 -8.684 2.905 506 HD2 LYS 57 HD2 LYS 65 12.909 -9.007 5.941 507 HD3 LYS 57 HD3 LYS 65 14.192 -8.609 4.854 508 HE2 LYS 57 HE2 LYS 65 11.815 -6.786 5.502 509 HE3 LYS 57 HE3 LYS 65 13.444 -6.615 6.102 510 HZ1 LYS 57 HZ1 LYS 65 13.041 -5.174 4.274 511 HZ2 LYS 57 HZ2 LYS 65 14.201 -6.270 3.866 512 HZ3 LYS 57 HZ3 LYS 65 12.669 -6.434 3.280 513 H VAL 58 H VAL 66 10.440 -8.132 7.090 514 HA VAL 58 HA VAL 66 7.684 -6.988 6.949 515 HB VAL 58 HB VAL 66 9.322 -7.565 9.462 516 HG11 VAL 58 HG11 VAL 66 7.279 -6.810 10.705 517 HG12 VAL 58 HG12 VAL 66 7.982 -5.502 9.783 518 HG13 VAL 58 HG13 VAL 66 6.544 -6.320 9.184 519 HG21 VAL 58 HG21 VAL 66 7.501 -9.152 10.071 520 HG22 VAL 58 HG22 VAL 66 6.762 -8.906 8.491 521 HG23 VAL 58 HG23 VAL 66 8.346 -9.668 8.624 522 H ILE 59 H ILE 67 7.747 -4.873 6.552 523 HA ILE 59 HA ILE 67 10.021 -3.182 7.469 524 HB ILE 59 HB ILE 67 8.668 -3.053 4.721 525 HG12 ILE 59 HG12 ILE 67 11.563 -3.746 5.332 526 HG13 ILE 59 HG13 ILE 67 10.347 -4.909 4.880 527 HG21 ILE 59 HG21 ILE 67 10.276 -1.193 4.208 528 HG22 ILE 59 HG22 ILE 67 9.219 -0.755 5.519 529 HG23 ILE 59 HG23 ILE 67 10.870 -1.255 5.860 530 HD11 ILE 59 HD11 ILE 67 11.108 -4.577 2.755 531 HD12 ILE 59 HD12 ILE 67 10.076 -3.155 2.779 532 HD13 ILE 59 HD13 ILE 67 11.793 -2.999 3.132 533 H GLN 60 H GLN 68 9.192 -1.570 8.686 534 HA GLN 60 HA GLN 68 6.451 -0.590 8.121 535 HB2 GLN 60 HB2 GLN 68 6.283 -0.064 10.574 536 HB3 GLN 60 HB3 GLN 68 6.114 -1.721 10.157 537 HG2 GLN 60 HG2 GLN 68 8.888 -0.745 10.991 538 HG3 GLN 60 HG3 GLN 68 7.646 -0.882 12.202 539 HE21 GLN 60 HE21 GLN 68 10.059 -2.665 10.624 540 HE22 GLN 60 HE22 GLN 68 9.518 -4.254 11.092 541 H ASN 61 H ASN 69 6.032 1.533 8.392 542 HA ASN 61 HA ASN 69 8.302 3.402 8.728 543 HB2 ASN 61 HB2 ASN 69 6.222 3.350 6.457 544 HB3 ASN 61 HB3 ASN 69 7.147 4.773 6.862 545 HD21 ASN 61 HD21 ASN 69 7.326 1.640 5.319 546 HD22 ASN 61 HD22 ASN 69 8.942 1.832 4.698 547 H GLU 62 H GLU 70 7.667 5.443 9.490 548 HA GLU 62 HA GLU 70 4.873 5.771 10.427 549 HB2 GLU 62 HB2 GLU 70 6.393 5.120 12.314 550 HB3 GLU 62 HB3 GLU 70 7.422 6.470 11.944 551 HG2 GLU 62 HG2 GLU 70 5.642 8.087 12.507 552 HG3 GLU 62 HG3 GLU 70 4.469 6.800 12.670 553 H PHE 63 H PHE 71 4.028 7.761 10.175 554 HA PHE 63 HA PHE 71 5.672 10.038 9.434 555 HB2 PHE 63 HB2 PHE 71 4.420 10.552 7.394 556 HB3 PHE 63 HB3 PHE 71 5.198 9.007 7.213 557 HD1 PHE 63 HD1 PHE 71 1.986 10.812 7.495 558 HD2 PHE 63 HD2 PHE 71 3.800 6.903 7.231 559 HE1 PHE 63 HE1 PHE 71 -0.206 9.802 7.009 560 HE2 PHE 63 HE2 PHE 71 1.597 5.936 6.743 561 HZ PHE 63 HZ PHE 71 -0.403 7.394 6.618 562 H THR 64 H THR 72 4.308 12.031 9.328 563 HA THR 64 HA THR 72 1.938 11.899 11.146 564 HB THR 64 HB THR 72 4.073 14.073 10.868 565 HG1 THR 64 HG1 THR 72 4.358 13.551 13.088 566 HG21 THR 64 HG21 THR 72 2.888 15.227 12.747 567 HG22 THR 64 HG22 THR 72 1.834 15.145 11.348 568 HG23 THR 64 HG23 THR 72 1.611 14.016 12.686 569 H VAL 65 H VAL 73 0.101 12.654 10.238 570 HA VAL 65 HA VAL 73 -0.048 13.152 7.462 571 HB VAL 65 HB VAL 73 -2.066 13.538 9.715 572 HG11 VAL 65 HG11 VAL 73 -3.875 13.475 7.987 573 HG12 VAL 65 HG12 VAL 73 -2.912 14.928 7.845 574 HG13 VAL 65 HG13 VAL 73 -2.664 13.592 6.722 575 HG21 VAL 65 HG21 VAL 73 -3.023 11.397 8.960 576 HG22 VAL 65 HG22 VAL 73 -1.813 11.276 7.690 577 HG23 VAL 65 HG23 VAL 73 -1.335 11.179 9.384 578 H GLY 66 H GLY 74 0.308 14.969 6.332 579 HA2 GLY 66 HA2 GLY 74 0.066 17.219 5.749 580 HA3 GLY 66 HA3 GLY 74 -0.325 17.667 7.390 581 H GLU 67 H GLU 75 2.389 15.703 7.723 582 HA GLU 67 HA GLU 75 4.397 17.903 7.391 583 HB2 GLU 67 HB2 GLU 75 4.065 15.618 9.373 584 HB3 GLU 67 HB3 GLU 75 5.620 16.333 9.130 585 HG2 GLU 67 HG2 GLU 75 3.177 17.975 9.986 586 HG3 GLU 67 HG3 GLU 75 4.235 17.178 11.122 587 H GLU 68 H GLU 76 6.178 17.434 6.133 588 HA GLU 68 HA GLU 76 6.053 15.146 4.401 589 HB2 GLU 68 HB2 GLU 76 6.899 17.388 3.711 590 HB3 GLU 68 HB3 GLU 76 8.270 17.205 4.768 591 HG2 GLU 68 HG2 GLU 76 8.988 15.145 3.445 592 HG3 GLU 68 HG3 GLU 76 7.625 15.386 2.380 593 H CYS 69 H CYS 77 6.899 13.204 4.602 594 HA CYS 69 HA CYS 77 9.027 12.589 6.575 595 HB2 CYS 69 HB2 CYS 77 6.285 11.241 6.362 596 HB3 CYS 69 HB3 CYS 77 7.629 10.556 7.259 597 HG CYS 69 HG CYS 77 7.992 12.578 8.861 598 H GLU 70 H GLU 78 9.889 10.362 6.208 599 HA GLU 70 HA GLU 78 10.078 9.851 3.284 600 HB2 GLU 70 HB2 GLU 78 12.057 10.622 4.593 601 HB3 GLU 70 HB3 GLU 78 11.964 9.183 5.566 602 HG2 GLU 70 HG2 GLU 78 12.415 7.758 3.575 603 HG3 GLU 70 HG3 GLU 78 12.360 9.160 2.529 604 H LEU 71 H LEU 79 9.234 8.061 2.441 605 HA LEU 71 HA LEU 79 8.425 5.801 4.218 606 HB2 LEU 71 HB2 LEU 79 7.362 6.808 1.545 607 HB3 LEU 71 HB3 LEU 79 6.939 5.247 2.192 608 HG LEU 71 HG LEU 79 6.325 7.912 3.508 609 HD11 LEU 71 HD11 LEU 79 4.332 7.936 2.435 610 HD12 LEU 71 HD12 LEU 79 4.960 6.683 1.376 611 HD13 LEU 71 HD13 LEU 79 4.000 6.248 2.769 612 HD21 LEU 71 HD21 LEU 79 4.735 6.093 4.859 613 HD22 LEU 71 HD22 LEU 79 6.183 5.140 4.598 614 HD23 LEU 71 HD23 LEU 79 6.278 6.687 5.436 615 H GLU 72 H GLU 80 9.481 3.984 4.040 616 HA GLU 72 HA GLU 80 11.447 3.531 1.943 617 HB2 GLU 72 HB2 GLU 80 11.840 3.191 4.418 618 HB3 GLU 72 HB3 GLU 80 10.745 1.851 4.384 619 HG2 GLU 72 HG2 GLU 80 12.174 0.603 2.794 620 HG3 GLU 72 HG3 GLU 80 13.274 1.953 2.672 621 H THR 73 H THR 81 11.502 1.580 0.685 622 HA THR 73 HA THR 81 8.836 0.428 -0.001 623 HB THR 73 HB THR 81 9.627 0.232 -2.196 624 HG1 THR 73 HG1 THR 81 11.749 0.655 -2.849 625 HG21 THR 73 HG21 THR 81 10.176 2.460 -2.964 626 HG22 THR 73 HG22 THR 81 9.137 2.642 -1.546 627 HG23 THR 73 HG23 THR 81 10.853 2.915 -1.417 628 H MET 74 H MET 82 9.076 -1.779 -1.151 629 HA MET 74 HA MET 82 10.144 -3.749 0.569 630 HB2 MET 74 HB2 MET 82 9.290 -3.962 -2.340 631 HB3 MET 74 HB3 MET 82 9.614 -5.321 -1.312 632 HG2 MET 74 HG2 MET 82 7.389 -5.299 -0.927 633 HG3 MET 74 HG3 MET 82 7.768 -4.098 0.267 634 HE1 MET 74 HE1 MET 82 5.774 -3.378 -3.854 635 HE2 MET 74 HE2 MET 82 7.430 -3.983 -3.775 636 HE3 MET 74 HE3 MET 82 6.100 -4.956 -3.133 637 H THR 75 H THR 83 11.641 -2.111 -2.205 638 HA THR 75 HA THR 83 13.929 -3.965 -2.279 639 HB THR 75 HB THR 83 14.698 -2.602 -4.134 640 HG1 THR 75 HG1 THR 83 14.140 -0.575 -3.585 641 HG21 THR 75 HG21 THR 83 12.985 -2.955 -5.758 642 HG22 THR 75 HG22 THR 83 12.955 -4.319 -4.656 643 HG23 THR 75 HG23 THR 83 11.711 -3.068 -4.546 644 H GLY 76 H GLY 84 13.051 -1.253 -0.389 645 HA2 GLY 76 HA2 GLY 84 14.320 -0.400 1.334 646 HA3 GLY 76 HA3 GLY 84 15.806 -0.990 0.627 647 H GLU 77 H GLU 85 13.842 0.753 -1.687 648 HA GLU 77 HA GLU 85 15.522 3.109 -1.765 649 HB2 GLU 77 HB2 GLU 85 12.794 2.428 -2.988 650 HB3 GLU 77 HB3 GLU 85 13.577 3.941 -3.263 651 HG2 GLU 77 HG2 GLU 85 14.758 1.222 -4.031 652 HG3 GLU 77 HG3 GLU 85 13.913 2.293 -5.121 653 H LYS 78 H LYS 86 15.013 5.234 -1.071 654 HA LYS 78 HA LYS 86 12.800 5.470 0.932 655 HB2 LYS 78 HB2 LYS 86 15.610 6.612 1.288 656 HB3 LYS 78 HB3 LYS 86 14.262 6.666 2.387 657 HG2 LYS 78 HG2 LYS 86 14.437 3.978 2.221 658 HG3 LYS 78 HG3 LYS 86 16.049 4.337 1.681 659 HD2 LYS 78 HD2 LYS 86 16.349 4.052 3.979 660 HD3 LYS 78 HD3 LYS 86 16.254 5.791 3.851 661 HE2 LYS 78 HE2 LYS 86 13.824 5.724 4.514 662 HE3 LYS 78 HE3 LYS 86 13.902 3.976 4.567 663 HZ1 LYS 78 HZ1 LYS 86 14.121 4.898 6.711 664 HZ2 LYS 78 HZ2 LYS 86 15.514 4.121 6.296 665 HZ3 LYS 78 HZ3 LYS 86 15.447 5.776 6.267 666 H VAL 79 H VAL 87 11.494 7.094 0.505 667 HA VAL 79 HA VAL 87 12.380 9.375 -1.165 668 HB VAL 79 HB VAL 87 10.112 9.061 -2.384 669 HG11 VAL 79 HG11 VAL 87 11.106 7.696 -4.153 670 HG12 VAL 79 HG12 VAL 87 12.300 8.816 -3.514 671 HG13 VAL 79 HG13 VAL 87 12.354 7.116 -3.059 672 HG21 VAL 79 HG21 VAL 87 9.249 6.789 -2.672 673 HG22 VAL 79 HG22 VAL 87 10.434 6.135 -1.559 674 HG23 VAL 79 HG23 VAL 87 9.170 7.198 -0.965 675 H LYS 80 H LYS 88 11.695 11.231 -0.474 676 HA LYS 80 HA LYS 88 9.934 11.484 1.794 677 HB2 LYS 80 HB2 LYS 88 11.571 13.392 0.111 678 HB3 LYS 80 HB3 LYS 88 10.482 13.986 1.335 679 HG2 LYS 80 HG2 LYS 88 11.654 13.059 3.130 680 HG3 LYS 80 HG3 LYS 88 12.391 11.808 2.180 681 HD2 LYS 80 HD2 LYS 88 14.076 13.404 2.855 682 HD3 LYS 80 HD3 LYS 88 13.927 13.388 1.121 683 HE2 LYS 80 HE2 LYS 88 12.588 15.505 1.195 684 HE3 LYS 80 HE3 LYS 88 12.683 15.507 2.953 685 HZ1 LYS 80 HZ1 LYS 88 14.309 16.912 1.972 686 HZ2 LYS 80 HZ2 LYS 88 15.057 15.669 2.758 687 HZ3 LYS 80 HZ3 LYS 88 14.961 15.665 1.110 688 H THR 81 H THR 89 7.955 12.355 1.939 689 HA THR 81 HA THR 89 6.302 13.150 -0.301 690 HB THR 81 HB THR 89 6.539 10.738 -0.811 691 HG1 THR 81 HG1 THR 89 4.323 10.099 -0.438 692 HG21 THR 81 HG21 THR 89 5.800 8.958 0.739 693 HG22 THR 81 HG22 THR 89 7.162 9.806 1.439 694 HG23 THR 81 HG23 THR 89 5.533 10.118 2.026 695 H VAL 82 H VAL 90 4.085 13.585 0.416 696 HA VAL 82 HA VAL 90 3.723 13.687 3.396 697 HB VAL 82 HB VAL 90 2.315 15.653 1.567 698 HG11 VAL 82 HG11 VAL 90 2.176 16.991 3.583 699 HG12 VAL 82 HG12 VAL 90 1.761 15.341 4.061 700 HG13 VAL 82 HG13 VAL 90 3.348 15.981 4.403 701 HG21 VAL 82 HG21 VAL 90 4.077 17.380 1.967 702 HG22 VAL 82 HG22 VAL 90 5.160 16.124 2.550 703 HG23 VAL 82 HG23 VAL 90 4.611 16.114 0.880 704 H VAL 83 H VAL 91 1.876 12.740 4.101 705 HA VAL 83 HA VAL 91 -0.124 11.768 2.103 706 HB VAL 83 HB VAL 91 0.393 10.874 4.969 707 HG11 VAL 83 HG11 VAL 91 -1.063 8.894 4.372 708 HG12 VAL 83 HG12 VAL 91 -1.936 10.410 4.365 709 HG13 VAL 83 HG13 VAL 91 -1.439 9.677 2.841 710 HG21 VAL 83 HG21 VAL 91 1.379 8.799 4.133 711 HG22 VAL 83 HG22 VAL 91 1.207 9.326 2.476 712 HG23 VAL 83 HG23 VAL 91 2.318 10.160 3.559 713 H GLN 84 H GLN 92 -2.066 12.749 2.109 714 HA GLN 84 HA GLN 92 -2.992 14.280 4.504 715 HB2 GLN 84 HB2 GLN 92 -3.116 14.889 1.539 716 HB3 GLN 84 HB3 GLN 92 -4.547 15.204 2.445 717 HG2 GLN 84 HG2 GLN 92 -3.620 17.237 2.667 718 HG3 GLN 84 HG3 GLN 92 -3.020 16.536 4.140 719 HE21 GLN 84 HE21 GLN 92 -0.726 15.607 4.007 720 HE22 GLN 84 HE22 GLN 92 0.404 16.417 2.952 721 H LEU 85 H LEU 93 -4.892 13.711 5.384 722 HA LEU 85 HA LEU 93 -6.490 11.542 4.185 723 HB2 LEU 85 HB2 LEU 93 -5.807 11.522 6.596 724 HB3 LEU 85 HB3 LEU 93 -6.653 12.975 6.890 725 HG LEU 85 HG LEU 93 -7.614 10.553 7.429 726 HD11 LEU 85 HD11 LEU 93 -10.047 11.775 6.893 727 HD12 LEU 85 HD12 LEU 93 -9.085 11.951 8.343 728 HD13 LEU 85 HD13 LEU 93 -8.950 13.137 7.054 729 HD21 LEU 85 HD21 LEU 93 -9.277 9.681 5.871 730 HD22 LEU 85 HD22 LEU 93 -8.895 10.882 4.687 731 HD23 LEU 85 HD23 LEU 93 -7.690 9.672 5.109 732 H GLU 86 H GLU 94 -8.145 12.066 2.871 733 HA GLU 86 HA GLU 94 -9.237 14.771 2.711 734 HB2 GLU 86 HB2 GLU 94 -8.723 12.952 0.791 735 HB3 GLU 86 HB3 GLU 94 -10.300 12.363 1.205 736 HG2 GLU 86 HG2 GLU 94 -11.007 14.972 0.896 737 HG3 GLU 86 HG3 GLU 94 -9.503 15.060 0.038 738 H GLY 87 H GLY 95 -11.901 14.287 2.107 739 HA2 GLY 87 HA2 GLY 95 -13.081 13.899 4.788 740 HA3 GLY 87 HA3 GLY 95 -13.791 14.663 3.386 741 H ASP 88 H ASP 96 -12.398 11.592 2.492 742 HA ASP 88 HA ASP 96 -14.944 10.133 2.917 743 HB2 ASP 88 HB2 ASP 96 -14.923 11.480 0.652 744 HB3 ASP 88 HB3 ASP 96 -13.731 10.370 0.122 745 H ASN 89 H ASN 97 -12.686 9.659 4.386 746 HA ASN 89 HA ASN 97 -11.435 7.904 5.152 747 HB2 ASN 89 HB2 ASN 97 -12.721 5.998 3.200 748 HB3 ASN 89 HB3 ASN 97 -12.272 5.699 4.858 749 HD21 ASN 89 HD21 ASN 97 -14.772 5.346 3.089 750 HD22 ASN 89 HD22 ASN 97 -16.070 6.019 4.041 751 H LYS 90 H LYS 98 -10.450 9.377 2.713 752 HA LYS 90 HA LYS 98 -8.804 7.274 1.394 753 HB2 LYS 90 HB2 LYS 98 -10.218 9.786 0.413 754 HB3 LYS 90 HB3 LYS 98 -8.961 9.044 -0.533 755 HG2 LYS 90 HG2 LYS 98 -10.150 7.091 -0.967 756 HG3 LYS 90 HG3 LYS 98 -11.178 7.229 0.405 757 HD2 LYS 90 HD2 LYS 98 -12.763 7.907 -1.051 758 HD3 LYS 90 HD3 LYS 98 -11.977 9.456 -1.042 759 HE2 LYS 90 HE2 LYS 98 -11.430 7.221 -3.061 760 HE3 LYS 90 HE3 LYS 98 -12.423 8.636 -3.344 761 HZ1 LYS 90 HZ1 LYS 98 -10.245 8.937 -4.203 762 HZ2 LYS 90 HZ2 LYS 98 -10.509 10.009 -2.976 763 HZ3 LYS 90 HZ3 LYS 98 -9.564 8.682 -2.721 764 H LEU 91 H LEU 99 -6.672 7.415 1.522 765 HA LEU 91 HA LEU 99 -5.388 9.918 2.479 766 HB2 LEU 91 HB2 LEU 99 -4.468 7.017 2.498 767 HB3 LEU 91 HB3 LEU 99 -3.402 8.329 2.845 768 HG LEU 91 HG LEU 99 -5.972 7.911 4.367 769 HD11 LEU 91 HD11 LEU 99 -4.927 6.612 6.028 770 HD12 LEU 91 HD12 LEU 99 -4.422 5.875 4.520 771 HD13 LEU 91 HD13 LEU 99 -3.310 6.915 5.419 772 HD21 LEU 91 HD21 LEU 99 -5.407 9.615 5.696 773 HD22 LEU 91 HD22 LEU 99 -3.725 9.159 5.832 774 HD23 LEU 91 HD23 LEU 99 -4.260 10.112 4.459 775 H VAL 92 H VAL 100 -4.804 11.189 0.844 776 HA VAL 92 HA VAL 100 -3.849 10.077 -1.744 777 HB VAL 92 HB VAL 100 -4.563 12.912 -0.851 778 HG11 VAL 92 HG11 VAL 100 -4.408 13.526 -3.290 779 HG12 VAL 92 HG12 VAL 100 -2.849 13.139 -2.600 780 HG13 VAL 92 HG13 VAL 100 -3.676 11.959 -3.617 781 HG21 VAL 92 HG21 VAL 100 -6.503 12.688 -2.394 782 HG22 VAL 92 HG22 VAL 100 -6.069 11.008 -2.699 783 HG23 VAL 92 HG23 VAL 100 -6.581 11.518 -1.092 784 H THR 93 H THR 101 -1.697 10.148 -2.269 785 HA THR 93 HA THR 101 0.146 11.962 -0.940 786 HB THR 93 HB THR 101 -0.050 10.100 0.698 787 HG1 THR 93 HG1 THR 101 1.939 11.139 0.441 788 HG21 THR 93 HG21 THR 101 0.644 7.863 0.350 789 HG22 THR 93 HG22 THR 101 -0.472 8.170 -0.970 790 HG23 THR 93 HG23 THR 101 1.281 8.197 -1.243 791 H THR 94 H THR 102 2.195 12.126 -1.967 792 HA THR 94 HA THR 102 2.553 10.798 -4.573 793 HB THR 94 HB THR 102 2.993 13.138 -5.579 794 HG1 THR 94 HG1 THR 102 1.719 14.800 -4.551 795 HG21 THR 94 HG21 THR 102 0.638 13.661 -6.122 796 HG22 THR 94 HG22 THR 102 0.980 11.953 -6.284 797 HG23 THR 94 HG23 THR 102 0.077 12.541 -4.886 798 H PHE 95 H PHE 103 4.599 10.488 -5.037 799 HA PHE 95 HA PHE 103 6.696 11.312 -3.141 800 HB2 PHE 95 HB2 PHE 103 6.710 9.283 -5.442 801 HB3 PHE 95 HB3 PHE 103 7.976 9.514 -4.268 802 HD1 PHE 95 HD1 PHE 103 7.660 8.727 -1.917 803 HD2 PHE 95 HD2 PHE 103 4.539 8.232 -4.845 804 HE1 PHE 95 HE1 PHE 103 6.540 7.068 -0.486 805 HE2 PHE 95 HE2 PHE 103 3.435 6.602 -3.379 806 HZ PHE 95 HZ PHE 103 4.435 6.025 -1.199 807 H LYS 96 H LYS 104 6.817 10.755 -6.670 808 HA LYS 96 HA LYS 104 8.082 13.413 -7.160 809 HB2 LYS 96 HB2 LYS 104 8.893 10.703 -8.354 810 HB3 LYS 96 HB3 LYS 104 9.569 12.245 -8.786 811 HG2 LYS 96 HG2 LYS 104 9.839 10.853 -6.085 812 HG3 LYS 96 HG3 LYS 104 11.042 10.920 -7.338 813 HD2 LYS 96 HD2 LYS 104 11.017 13.485 -7.106 814 HD3 LYS 96 HD3 LYS 104 10.032 13.280 -5.688 815 HE2 LYS 96 HE2 LYS 104 12.854 12.155 -6.062 816 HE3 LYS 96 HE3 LYS 104 12.415 13.535 -5.074 817 HZ1 LYS 96 HZ1 LYS 104 12.664 11.577 -3.772 818 HZ2 LYS 96 HZ2 LYS 104 11.093 12.081 -3.714 819 HZ3 LYS 96 HZ3 LYS 104 11.509 10.781 -4.639 820 H ASN 97 H ASN 105 6.813 10.484 -8.806 821 HA ASN 97 HA ASN 105 4.912 12.051 -10.432 822 HB2 ASN 97 HB2 ASN 105 5.771 11.186 -12.506 823 HB3 ASN 97 HB3 ASN 105 7.083 11.984 -11.690 824 HD21 ASN 97 HD21 ASN 105 6.837 9.682 -13.765 825 HD22 ASN 97 HD22 ASN 105 7.926 8.472 -13.142 826 H ILE 98 H ILE 106 5.094 9.743 -8.243 827 HA ILE 98 HA ILE 106 3.253 7.820 -9.569 828 HB ILE 98 HB ILE 106 4.660 7.579 -6.874 829 HG12 ILE 98 HG12 ILE 106 5.792 5.607 -8.338 830 HG13 ILE 98 HG13 ILE 106 5.551 6.762 -9.606 831 HG21 ILE 98 HG21 ILE 106 3.934 5.194 -6.990 832 HG22 ILE 98 HG22 ILE 106 2.557 6.266 -6.946 833 HG23 ILE 98 HG23 ILE 106 3.044 5.536 -8.471 834 HD11 ILE 98 HD11 ILE 106 7.777 7.102 -8.694 835 HD12 ILE 98 HD12 ILE 106 6.843 8.471 -8.115 836 HD13 ILE 98 HD13 ILE 106 7.178 7.119 -7.040 837 H LYS 99 H LYS 107 1.172 8.337 -9.286 838 HA LYS 99 HA LYS 107 0.323 10.097 -7.051 839 HB2 LYS 99 HB2 LYS 107 0.080 10.679 -9.526 840 HB3 LYS 99 HB3 LYS 107 -1.091 9.403 -9.657 841 HG2 LYS 99 HG2 LYS 107 -2.342 10.664 -7.703 842 HG3 LYS 99 HG3 LYS 107 -1.237 11.973 -8.018 843 HD2 LYS 99 HD2 LYS 107 -3.290 10.776 -9.926 844 HD3 LYS 99 HD3 LYS 107 -3.325 12.360 -9.209 845 HE2 LYS 99 HE2 LYS 107 -1.307 13.030 -10.553 846 HE3 LYS 99 HE3 LYS 107 -1.266 11.435 -11.290 847 HZ1 LYS 99 HZ1 LYS 107 -2.379 12.980 -12.668 848 HZ2 LYS 99 HZ2 LYS 107 -3.437 11.819 -12.171 849 HZ3 LYS 99 HZ3 LYS 107 -3.489 13.323 -11.498 850 H SER 100 H SER 108 0.156 8.662 -5.374 851 HA SER 100 HA SER 108 -1.507 6.242 -5.672 852 HB2 SER 100 HB2 SER 108 -0.368 5.544 -3.597 853 HB3 SER 100 HB3 SER 108 0.727 5.845 -4.937 854 HG SER 100 HG SER 108 0.185 7.781 -2.971 855 H VAL 101 H VAL 109 -3.517 6.361 -5.271 856 HA VAL 101 HA VAL 109 -4.615 8.135 -3.137 857 HB VAL 101 HB VAL 109 -5.859 7.068 -5.723 858 HG11 VAL 101 HG11 VAL 109 -7.835 8.508 -5.158 859 HG12 VAL 101 HG12 VAL 109 -7.655 7.178 -4.037 860 HG13 VAL 101 HG13 VAL 109 -7.151 8.797 -3.562 861 HG21 VAL 101 HG21 VAL 109 -5.986 9.456 -6.410 862 HG22 VAL 101 HG22 VAL 109 -5.090 9.917 -4.966 863 HG23 VAL 101 HG23 VAL 109 -4.328 8.925 -6.207 864 H THR 102 H THR 110 -4.834 6.877 -1.389 865 HA THR 102 HA THR 110 -5.678 4.056 -1.489 866 HB THR 102 HB THR 110 -5.285 5.960 0.859 867 HG1 THR 102 HG1 THR 110 -3.385 5.715 -0.271 868 HG21 THR 102 HG21 THR 110 -4.897 3.879 2.223 869 HG22 THR 102 HG22 THR 110 -6.542 4.006 1.661 870 HG23 THR 102 HG23 THR 110 -5.426 2.907 0.854 871 H GLU 103 H GLU 111 -7.673 3.333 -0.601 872 HA GLU 103 HA GLU 111 -9.689 5.251 0.311 873 HB2 GLU 103 HB2 GLU 111 -10.024 5.142 -2.153 874 HB3 GLU 103 HB3 GLU 111 -10.007 3.409 -2.107 875 HG2 GLU 103 HG2 GLU 111 -12.113 3.369 -0.796 876 HG3 GLU 103 HG3 GLU 111 -12.131 5.118 -0.716 877 H LEU 104 H LEU 112 -10.768 4.469 1.997 878 HA LEU 104 HA LEU 112 -10.647 1.545 2.603 879 HB2 LEU 104 HB2 LEU 112 -9.420 3.045 4.110 880 HB3 LEU 104 HB3 LEU 112 -10.837 3.969 4.468 881 HG LEU 104 HG LEU 112 -10.790 0.977 4.994 882 HD11 LEU 104 HD11 LEU 112 -10.003 1.631 7.378 883 HD12 LEU 104 HD12 LEU 112 -8.777 1.617 6.120 884 HD13 LEU 104 HD13 LEU 112 -9.470 3.145 6.655 885 HD21 LEU 104 HD21 LEU 112 -12.428 1.392 6.684 886 HD22 LEU 104 HD22 LEU 112 -12.137 3.122 6.682 887 HD23 LEU 104 HD23 LEU 112 -12.974 2.372 5.341 888 H ASN 105 H ASN 113 -12.519 0.490 2.545 889 HA ASN 105 HA ASN 113 -15.101 1.916 2.800 890 HB2 ASN 105 HB2 ASN 113 -14.135 0.032 0.586 891 HB3 ASN 105 HB3 ASN 113 -15.796 -0.057 1.088 892 HD21 ASN 105 HD21 ASN 113 -13.707 2.877 0.568 893 HD22 ASN 105 HD22 ASN 113 -14.810 3.582 -0.584 894 H GLY 106 H GLY 114 -14.891 1.259 5.029 895 HA2 GLY 106 HA2 GLY 114 -15.410 -0.056 6.822 896 HA3 GLY 106 HA3 GLY 114 -16.195 -1.161 5.716 897 H ASP 107 H ASP 115 -15.356 -3.148 5.701 898 HA ASP 107 HA ASP 115 -12.709 -3.748 6.760 899 HB2 ASP 107 HB2 ASP 115 -15.012 -5.566 5.968 900 HB3 ASP 107 HB3 ASP 115 -13.477 -6.151 6.537 901 H ILE 108 H ILE 116 -13.369 -2.607 3.818 902 HA ILE 108 HA ILE 116 -11.424 -4.432 2.454 903 HB ILE 108 HB ILE 116 -13.631 -2.752 1.180 904 HG12 ILE 108 HG12 ILE 116 -14.724 -4.587 2.317 905 HG13 ILE 108 HG13 ILE 116 -14.823 -4.771 0.602 906 HG21 ILE 108 HG21 ILE 116 -13.075 -4.001 -0.926 907 HG22 ILE 108 HG22 ILE 116 -11.775 -2.963 -0.395 908 HG23 ILE 108 HG23 ILE 116 -11.672 -4.696 -0.122 909 HD11 ILE 108 HD11 ILE 116 -14.368 -6.930 1.736 910 HD12 ILE 108 HD12 ILE 116 -13.053 -6.535 0.642 911 HD13 ILE 108 HD13 ILE 116 -12.852 -6.322 2.377 912 H ILE 109 H ILE 117 -9.639 -3.483 1.674 913 HA ILE 109 HA ILE 117 -9.409 -0.496 1.598 914 HB ILE 109 HB ILE 117 -7.211 -2.615 1.642 915 HG12 ILE 109 HG12 ILE 117 -8.190 -2.648 3.779 916 HG13 ILE 109 HG13 ILE 117 -6.643 -1.890 3.910 917 HG21 ILE 109 HG21 ILE 117 -5.636 -0.704 2.054 918 HG22 ILE 109 HG22 ILE 117 -6.361 -0.652 0.465 919 HG23 ILE 109 HG23 ILE 117 -6.947 0.423 1.727 920 HD11 ILE 109 HD11 ILE 117 -7.853 -0.360 5.180 921 HD12 ILE 109 HD12 ILE 117 -8.275 0.363 3.636 922 HD13 ILE 109 HD13 ILE 117 -9.375 -0.775 4.407 923 H THR 110 H THR 118 -9.009 0.394 -0.354 924 HA THR 110 HA THR 118 -8.248 -1.294 -2.690 925 HB THR 110 HB THR 118 -10.377 0.916 -2.561 926 HG1 THR 110 HG1 THR 118 -11.666 -0.795 -3.393 927 HG21 THR 110 HG21 THR 118 -10.744 0.462 -5.007 928 HG22 THR 110 HG22 THR 118 -9.173 1.179 -4.725 929 HG23 THR 110 HG23 THR 118 -9.303 -0.551 -5.031 930 H ASN 111 H ASN 119 -6.261 -0.566 -3.271 931 HA ASN 111 HA ASN 119 -5.636 2.362 -3.039 932 HB2 ASN 111 HB2 ASN 119 -4.237 0.176 -1.913 933 HB3 ASN 111 HB3 ASN 119 -3.362 0.430 -3.389 934 HD21 ASN 111 HD21 ASN 119 -3.421 1.209 -0.182 935 HD22 ASN 111 HD22 ASN 119 -2.732 2.810 -0.208 936 H THR 112 H THR 120 -5.057 3.437 -4.793 937 HA THR 112 HA THR 120 -4.648 1.979 -7.359 938 HB THR 112 HB THR 120 -6.423 4.437 -6.904 939 HG1 THR 112 HG1 THR 120 -7.378 2.473 -6.392 940 HG21 THR 112 HG21 THR 120 -6.958 4.224 -9.360 941 HG22 THR 112 HG22 THR 120 -5.286 4.687 -9.114 942 HG23 THR 112 HG23 THR 120 -5.682 3.022 -9.527 943 H MET 113 H MET 121 -2.653 2.407 -7.910 944 HA MET 113 HA MET 121 -1.360 5.038 -7.357 945 HB2 MET 113 HB2 MET 121 -0.201 2.273 -7.895 946 HB3 MET 113 HB3 MET 121 0.712 3.722 -7.570 947 HG2 MET 113 HG2 MET 121 0.148 3.738 -5.272 948 HG3 MET 113 HG3 MET 121 -1.254 2.726 -5.464 949 HE1 MET 113 HE1 MET 121 2.970 1.004 -6.125 950 HE2 MET 113 HE2 MET 121 2.037 1.725 -7.413 951 HE3 MET 113 HE3 MET 121 2.639 2.752 -6.107 952 H THR 114 H THR 122 -0.320 6.080 -9.065 953 HA THR 114 HA THR 122 -0.483 4.874 -11.782 954 HB THR 114 HB THR 122 -1.490 7.641 -10.976 955 HG1 THR 114 HG1 THR 122 -3.402 6.796 -11.967 956 HG21 THR 114 HG21 THR 122 -2.139 7.893 -13.408 957 HG22 THR 114 HG22 THR 122 -0.403 7.915 -13.187 958 HG23 THR 114 HG23 THR 122 -1.186 6.462 -13.790 959 H LEU 115 H LEU 123 1.648 4.555 -12.026 960 HA LEU 115 HA LEU 123 3.546 6.837 -11.745 961 HB2 LEU 115 HB2 LEU 123 4.293 4.972 -10.443 962 HB3 LEU 115 HB3 LEU 123 3.836 3.820 -11.655 963 HG LEU 115 HG LEU 123 5.662 4.407 -13.110 964 HD11 LEU 115 HD11 LEU 123 6.801 6.329 -13.131 965 HD12 LEU 115 HD12 LEU 123 5.794 6.957 -11.847 966 HD13 LEU 115 HD13 LEU 123 7.299 6.156 -11.457 967 HD21 LEU 115 HD21 LEU 123 7.611 3.850 -11.508 968 HD22 LEU 115 HD22 LEU 123 6.375 3.752 -10.255 969 HD23 LEU 115 HD23 LEU 123 6.286 2.710 -11.675 970 H GLY 116 H GLY 124 3.635 7.912 -13.622 971 HA2 GLY 116 HA2 GLY 124 3.963 8.399 -15.818 972 HA3 GLY 116 HA3 GLY 124 4.737 6.830 -15.970 973 H ASP 117 H ASP 125 3.777 5.419 -17.326 974 HA ASP 117 HA ASP 125 1.032 5.874 -18.311 975 HB2 ASP 117 HB2 ASP 125 1.894 4.313 -20.243 976 HB3 ASP 117 HB3 ASP 125 2.346 5.979 -20.155 977 H ILE 118 H ILE 126 2.115 4.149 -15.807 978 HA ILE 118 HA ILE 126 0.455 1.726 -16.411 979 HB ILE 118 HB ILE 126 2.747 1.825 -14.388 980 HG12 ILE 118 HG12 ILE 126 3.911 0.343 -16.303 981 HG13 ILE 118 HG13 ILE 126 3.003 1.365 -17.364 982 HG21 ILE 118 HG21 ILE 126 2.659 -0.652 -14.708 983 HG22 ILE 118 HG22 ILE 126 1.172 -0.028 -14.055 984 HG23 ILE 118 HG23 ILE 126 1.274 -0.471 -15.761 985 HD11 ILE 118 HD11 ILE 126 5.352 2.182 -16.864 986 HD12 ILE 118 HD12 ILE 126 4.161 3.380 -16.407 987 HD13 ILE 118 HD13 ILE 126 4.913 2.387 -15.170 988 H VAL 119 H VAL 127 -0.978 1.060 -14.801 989 HA VAL 119 HA VAL 127 -1.256 2.799 -12.400 990 HB VAL 119 HB VAL 127 -3.481 1.708 -14.176 991 HG11 VAL 119 HG11 VAL 127 -5.064 2.976 -12.744 992 HG12 VAL 119 HG12 VAL 127 -4.278 1.735 -11.800 993 HG13 VAL 119 HG13 VAL 127 -3.764 3.411 -11.651 994 HG21 VAL 119 HG21 VAL 127 -4.020 4.105 -14.619 995 HG22 VAL 119 HG22 VAL 127 -2.562 4.576 -13.755 996 HG23 VAL 119 HG23 VAL 127 -2.447 3.651 -15.248 997 H PHE 120 H PHE 128 -0.297 1.346 -10.940 998 HA PHE 120 HA PHE 128 -1.142 -1.429 -10.776 999 HB2 PHE 120 HB2 PHE 128 1.114 -0.685 -10.111 1000 HB3 PHE 120 HB3 PHE 128 0.475 0.324 -8.872 1001 HD1 PHE 120 HD1 PHE 128 -0.526 -3.255 -9.662 1002 HD2 PHE 120 HD2 PHE 128 1.641 -0.649 -7.017 1003 HE1 PHE 120 HE1 PHE 128 -0.211 -5.085 -8.094 1004 HE2 PHE 120 HE2 PHE 128 1.954 -2.514 -5.450 1005 HZ PHE 120 HZ PHE 128 1.015 -4.734 -5.973 1006 H LYS 121 H LYS 129 -2.771 -2.260 -9.559 1007 HA LYS 121 HA LYS 129 -4.064 -0.562 -7.482 1008 HB2 LYS 121 HB2 LYS 129 -5.320 -2.431 -9.516 1009 HB3 LYS 121 HB3 LYS 129 -6.181 -1.874 -8.113 1010 HG2 LYS 121 HG2 LYS 129 -6.547 0.228 -8.923 1011 HG3 LYS 121 HG3 LYS 129 -4.978 0.381 -9.639 1012 HD2 LYS 121 HD2 LYS 129 -6.591 0.409 -11.416 1013 HD3 LYS 121 HD3 LYS 129 -5.654 -1.053 -11.547 1014 HE2 LYS 121 HE2 LYS 129 -7.563 -2.301 -10.365 1015 HE3 LYS 121 HE3 LYS 129 -8.498 -0.822 -10.421 1016 HZ1 LYS 121 HZ1 LYS 129 -8.976 -2.274 -12.234 1017 HZ2 LYS 121 HZ2 LYS 129 -8.297 -0.886 -12.813 1018 HZ3 LYS 121 HZ3 LYS 129 -7.405 -2.272 -12.730 1019 H ARG 122 H ARG 130 -4.760 -1.628 -5.657 1020 HA ARG 122 HA ARG 130 -4.004 -4.440 -5.222 1021 HB2 ARG 122 HB2 ARG 130 -2.497 -2.076 -4.262 1022 HB3 ARG 122 HB3 ARG 130 -3.068 -2.986 -2.913 1023 HG2 ARG 122 HG2 ARG 130 -1.521 -4.247 -5.254 1024 HG3 ARG 122 HG3 ARG 130 -0.811 -3.604 -3.807 1025 HD2 ARG 122 HD2 ARG 130 -2.943 -5.630 -3.266 1026 HD3 ARG 122 HD3 ARG 130 -1.508 -6.226 -4.039 1027 HE ARG 122 HE ARG 130 -0.253 -5.733 -2.166 1028 HH11 ARG 122 HH11 ARG 130 -3.527 -4.432 -1.633 1029 HH12 ARG 122 HH12 ARG 130 -3.371 -4.445 0.102 1030 HH21 ARG 122 HH21 ARG 130 -0.042 -5.649 0.062 1031 HH22 ARG 122 HH22 ARG 130 -1.323 -5.014 1.066 1032 H ILE 123 H ILE 131 -5.418 -5.459 -3.964 1033 HA ILE 123 HA ILE 131 -7.447 -3.890 -2.451 1034 HB ILE 123 HB ILE 131 -7.860 -6.503 -3.996 1035 HG12 ILE 123 HG12 ILE 131 -9.648 -4.899 -5.158 1036 HG13 ILE 123 HG13 ILE 131 -8.582 -3.630 -4.661 1037 HG21 ILE 123 HG21 ILE 131 -10.271 -6.240 -3.398 1038 HG22 ILE 123 HG22 ILE 131 -9.305 -6.458 -1.965 1039 HG23 ILE 123 HG23 ILE 131 -9.876 -4.850 -2.394 1040 HD11 ILE 123 HD11 ILE 131 -7.569 -4.058 -6.704 1041 HD12 ILE 123 HD12 ILE 131 -6.822 -5.451 -5.943 1042 HD13 ILE 123 HD13 ILE 131 -8.314 -5.647 -6.836 1043 H SER 124 H SER 132 -7.813 -4.566 -0.399 1044 HA SER 124 HA SER 132 -6.809 -7.173 0.531 1045 HB2 SER 124 HB2 SER 132 -5.996 -4.437 1.669 1046 HB3 SER 124 HB3 SER 132 -5.999 -5.882 2.655 1047 HG SER 124 HG SER 132 -4.547 -6.844 1.371 1048 H LYS 125 H LYS 133 -7.787 -7.884 2.523 1049 HA LYS 125 HA LYS 133 -10.317 -6.525 3.288 1050 HB2 LYS 125 HB2 LYS 133 -10.927 -8.423 1.878 1051 HB3 LYS 125 HB3 LYS 133 -9.848 -9.481 2.760 1052 HG2 LYS 125 HG2 LYS 133 -11.240 -9.329 4.786 1053 HG3 LYS 125 HG3 LYS 133 -12.310 -8.193 4.018 1054 HD2 LYS 125 HD2 LYS 133 -11.817 -11.019 2.968 1055 HD3 LYS 125 HD3 LYS 133 -13.000 -10.681 4.200 1056 HE2 LYS 125 HE2 LYS 133 -14.171 -9.099 2.608 1057 HE3 LYS 125 HE3 LYS 133 -13.017 -9.534 1.355 1058 HZ1 LYS 125 HZ1 LYS 133 -15.021 -10.801 1.214 1059 HZ2 LYS 125 HZ2 LYS 133 -13.759 -11.802 1.564 1060 HZ3 LYS 125 HZ3 LYS 133 -14.831 -11.381 2.745 1061 H ARG 126 H ARG 134 -10.832 -6.611 5.435 1062 HA ARG 126 HA ARG 134 -8.873 -6.532 7.382 1063 HB2 ARG 126 HB2 ARG 134 -11.206 -5.498 7.320 1064 HB3 ARG 126 HB3 ARG 134 -11.843 -7.079 7.678 1065 HG2 ARG 126 HG2 ARG 134 -11.913 -6.039 9.658 1066 HG3 ARG 126 HG3 ARG 134 -10.503 -6.986 9.935 1067 HD2 ARG 126 HD2 ARG 134 -9.816 -4.794 10.731 1068 HD3 ARG 126 HD3 ARG 134 -9.303 -4.724 9.070 1069 HE ARG 126 HE ARG 134 -10.649 -3.126 8.530 1070 HH11 ARG 126 HH11 ARG 134 -12.162 -4.655 11.374 1071 HH12 ARG 126 HH12 ARG 134 -13.513 -3.552 11.379 1072 HH21 ARG 126 HH21 ARG 134 -12.402 -1.691 8.593 1073 HH22 ARG 126 HH22 ARG 134 -13.655 -1.887 9.786 1074 H ILE 127 H ILE 135 -8.155 -7.899 9.025 1075 HA ILE 127 HA ILE 135 -8.613 -10.808 8.622 1076 HB ILE 127 HB ILE 135 -6.472 -9.521 10.356 1077 HG12 ILE 127 HG12 ILE 135 -6.195 -10.236 7.424 1078 HG13 ILE 127 HG13 ILE 135 -6.231 -8.624 8.049 1079 HG21 ILE 127 HG21 ILE 135 -5.297 -11.711 10.008 1080 HG22 ILE 127 HG22 ILE 135 -6.859 -11.967 10.736 1081 HG23 ILE 127 HG23 ILE 135 -6.633 -12.275 9.018 1082 HD11 ILE 127 HD11 ILE 135 -3.993 -8.728 8.119 1083 HD12 ILE 127 HD12 ILE 135 -4.160 -9.726 9.554 1084 HD13 ILE 127 HD13 ILE 135 -3.958 -10.482 7.976 1085 H2 2VN 201 H152 DRG 176 1.640 4.130 2.082 1086 H1 2VN 201 H151 DRG 176 1.083 5.765 2.231 1087 H18 2VN 201 H212 DRG 176 1.435 4.315 -2.625 1088 H17 2VN 201 H211 DRG 176 1.403 4.333 -0.904 1089 H20 2VN 201 H222 DRG 176 3.656 3.960 -1.546 1090 H19 2VN 201 H221 DRG 176 3.120 2.452 -0.878 1091 H22 2VN 201 H232 DRG 176 2.805 1.531 -3.185 1092 H21 2VN 201 H231 DRG 176 3.076 3.115 -3.855 1093 H23 2VN 201 H24 DRG 176 5.429 3.070 -2.997 1094 H24 2VN 201 H251 DRG 176 4.824 2.530 -5.367 1095 H25 2VN 201 H252 DRG 176 4.716 0.843 -4.905 1096 H26 2VN 201 H261 DRG 176 7.162 2.531 -5.270 1097 H27 2VN 201 H262 DRG 176 6.838 0.900 -5.783 1098 H28 2VN 201 H271 DRG 176 7.851 1.935 -3.180 1099 H29 2VN 201 H272 DRG 176 8.358 0.501 -4.045 1100 H31 2VN 201 H282 DRG 176 6.250 -0.633 -3.292 1101 H30 2VN 201 H281 DRG 176 7.200 -0.125 -1.921 1102 H32 2VN 201 H291 DRG 176 4.613 0.338 -2.005 1103 H33 2VN 201 H292 DRG 176 5.655 1.524 -1.282 1104 H35 2VN 201 H112 DRG 176 2.186 0.303 0.616 1105 H34 2VN 201 H111 DRG 176 2.655 0.240 -1.053 1106 H3 2VN 201 H14 DRG 176 -0.946 5.284 1.448 1107 HK6 2VN 201 H7 DRG 176 3.311 -1.871 -1.953 1108 HL7 2VN 201 H6 DRG 176 3.595 -4.264 -1.686 1109 HL8 2VN 201 H8 DRG 176 1.179 -4.161 1.879 1110 HK9 2VN 201 H9 DRG 176 0.895 -1.739 1.597 1111 HJ2 2VN 201 H43 DRG 176 3.495 -9.153 -1.722 1112 HJ1 2VN 201 H42 DRG 176 2.008 -8.825 -0.842 1113 HJ0 2VN 201 H41 DRG 176 3.523 -8.965 0.018 1114 HJ4 2VN 201 H32 DRG 176 5.337 -7.328 -1.868 1115 HJ5 2VN 201 H33 DRG 176 5.063 -5.742 -1.162 1116 HJ3 2VN 201 H31 DRG 176 5.290 -7.128 -0.128 1117 H4 2VN 201 H191 DRG 176 -1.326 2.911 3.274 1118 H5 2VN 201 H192 DRG 176 -2.565 3.778 2.426 1119 H7 2VN 201 H182 DRG 176 -2.353 4.440 4.849 1120 H6 2VN 201 H181 DRG 176 -2.190 5.769 3.728 1121 H9 2VN 201 H172 DRG 176 -0.339 5.034 5.770 1122 H8 2VN 201 H171 DRG 176 -0.227 6.339 4.613 1123 H11 2VN 201 H162 DRG 176 0.896 3.537 4.285 1124 H10 2VN 201 H161 DRG 176 1.805 5.015 4.425 1125 H14 2VN 201 H122 DRG 176 -0.232 -0.237 -0.203 1126 H13 2VN 201 H121 DRG 176 0.341 0.020 -1.824 1127 H16 2VN 201 H202 DRG 176 0.590 1.953 -2.671 1128 H15 2VN 201 H201 DRG 176 -0.529 3.086 -1.996 1129 H12 2VN 201 HN2 DRG 176 -0.530 3.997 -0.208 Start of MODEL 4 1 H1 HIS -7 H1 HIS 1 -27.267 7.004 26.680 2 H2 HIS -7 H2 HIS 1 -28.111 6.160 25.591 3 H3 HIS -7 H3 HIS 1 -27.074 5.321 26.530 4 HA HIS -7 HA HIS 1 -25.412 6.999 25.533 5 HB2 HIS -7 HB2 HIS 1 -26.612 4.557 23.958 6 HB3 HIS -7 HB3 HIS 1 -25.248 5.428 23.313 7 HD1 HIS -7 HD1 HIS 1 -24.748 2.562 23.660 8 HD2 HIS -7 HD2 HIS 1 -23.925 5.319 26.750 9 HE1 HIS -7 HE1 HIS 1 -22.983 1.570 25.177 10 H HIS -6 H HIS 2 -28.607 6.772 24.017 11 HA HIS -6 HA HIS 2 -29.631 7.982 22.513 12 HB2 HIS -6 HB2 HIS 2 -27.739 10.055 23.557 13 HB3 HIS -6 HB3 HIS 2 -28.254 10.383 21.950 14 HD1 HIS -6 HD1 HIS 2 -29.875 9.468 25.314 15 HD2 HIS -6 HD2 HIS 2 -30.724 11.674 21.819 16 HE1 HIS -6 HE1 HIS 2 -32.077 10.665 25.641 17 H HIS -5 H HIS 3 -28.980 9.444 20.287 18 HA HIS -5 HA HIS 3 -26.959 7.932 18.792 19 HB2 HIS -5 HB2 HIS 3 -29.491 7.004 18.576 20 HB3 HIS -5 HB3 HIS 3 -29.660 8.329 17.466 21 HD1 HIS -5 HD1 HIS 3 -28.251 8.142 15.180 22 HD2 HIS -5 HD2 HIS 3 -27.869 4.801 17.732 23 HE1 HIS -5 HE1 HIS 3 -27.184 6.262 13.879 24 H HIS -4 H HIS 4 -26.698 8.970 16.570 25 HA HIS -4 HA HIS 4 -27.115 11.878 16.494 26 HB2 HIS -4 HB2 HIS 4 -24.664 12.287 16.257 27 HB3 HIS -4 HB3 HIS 4 -25.093 11.708 17.830 28 HD1 HIS -4 HD1 HIS 4 -22.439 11.235 17.907 29 HD2 HIS -4 HD2 HIS 4 -24.646 8.627 15.430 30 HE1 HIS -4 HE1 HIS 4 -21.048 9.167 17.468 31 H HIS -3 H HIS 5 -25.963 12.760 14.425 32 HA HIS -3 HA HIS 5 -26.538 10.902 12.161 33 HB2 HIS -3 HB2 HIS 5 -27.975 12.967 12.409 34 HB3 HIS -3 HB3 HIS 5 -26.557 13.955 12.194 35 HD1 HIS -3 HD1 HIS 5 -26.872 14.936 9.887 36 HD2 HIS -3 HD2 HIS 5 -27.657 10.791 9.891 37 HE1 HIS -3 HE1 HIS 5 -27.274 14.193 7.501 38 H HIS -2 H HIS 6 -24.422 9.946 12.627 39 HA HIS -2 HA HIS 6 -22.495 10.877 10.786 40 HB2 HIS -2 HB2 HIS 6 -22.115 11.756 13.599 41 HB3 HIS -2 HB3 HIS 6 -20.804 10.731 13.111 42 HD1 HIS -2 HD1 HIS 6 -21.155 14.072 13.457 43 HD2 HIS -2 HD2 HIS 6 -20.158 11.820 10.034 44 HE1 HIS -2 HE1 HIS 6 -19.930 15.581 11.836 45 H VAL -1 H VAL 7 -20.895 9.327 10.351 46 HA VAL -1 HA VAL 7 -21.353 6.636 11.563 47 HB VAL -1 HB VAL 7 -20.436 5.713 9.495 48 HG11 VAL -1 HG11 VAL 7 -22.403 6.013 8.081 49 HG12 VAL -1 HG12 VAL 7 -22.875 5.909 9.770 50 HG13 VAL -1 HG13 VAL 7 -22.857 7.471 8.956 51 HG21 VAL -1 HG21 VAL 7 -20.293 7.084 7.391 52 HG22 VAL -1 HG22 VAL 7 -20.365 8.544 8.364 53 HG23 VAL -1 HG23 VAL 7 -19.011 7.423 8.524 54 H ALA 0 H ALA 8 -18.860 8.955 10.452 55 HA ALA 0 HA ALA 8 -16.715 9.226 10.779 56 HB1 ALA 0 HB1 ALA 8 -15.652 8.573 12.914 57 HB2 ALA 0 HB2 ALA 8 -17.272 9.177 13.220 58 HB3 ALA 0 HB3 ALA 8 -16.953 7.447 13.267 59 H MET 1 H MET 9 -14.496 8.219 10.740 60 HA MET 1 HA MET 9 -14.552 5.519 9.464 61 HB2 MET 1 HB2 MET 9 -12.953 7.929 8.510 62 HB3 MET 1 HB3 MET 9 -12.996 6.362 7.767 63 HG2 MET 1 HG2 MET 9 -15.284 8.383 7.928 64 HG3 MET 1 HG3 MET 9 -14.389 8.003 6.524 65 HE1 MET 1 HE1 MET 9 -15.857 4.049 6.305 66 HE2 MET 1 HE2 MET 9 -14.493 4.992 5.724 67 HE3 MET 1 HE3 MET 9 -14.562 4.487 7.413 68 H SER 2 H SER 10 -12.913 4.172 9.901 69 HA SER 2 HA SER 10 -10.821 5.003 11.833 70 HB2 SER 2 HB2 SER 10 -11.443 3.087 13.254 71 HB3 SER 2 HB3 SER 10 -12.736 4.261 13.153 72 HG SER 2 HG SER 10 -13.469 2.116 12.936 73 H PHE 3 H PHE 11 -9.186 4.852 10.415 74 HA PHE 3 HA PHE 11 -8.701 2.730 8.592 75 HB2 PHE 3 HB2 PHE 11 -7.045 4.953 9.819 76 HB3 PHE 3 HB3 PHE 11 -6.283 3.771 8.827 77 HD1 PHE 3 HD1 PHE 11 -6.776 3.551 6.400 78 HD2 PHE 3 HD2 PHE 11 -8.667 6.603 8.800 79 HE1 PHE 3 HE1 PHE 11 -7.378 4.805 4.372 80 HE2 PHE 3 HE2 PHE 11 -9.239 7.830 6.749 81 HZ PHE 3 HZ PHE 11 -8.536 6.962 4.553 82 H SER 4 H SER 12 -8.122 2.889 12.037 83 HA SER 4 HA SER 12 -5.958 1.174 12.338 84 HB2 SER 4 HB2 SER 12 -6.699 1.052 14.680 85 HB3 SER 4 HB3 SER 12 -6.734 2.687 14.065 86 HG SER 4 HG SER 12 -8.603 2.081 15.276 87 H GLY 5 H GLY 13 -5.662 -0.921 11.891 88 HA2 GLY 5 HA2 GLY 13 -6.929 -3.132 12.790 89 HA3 GLY 5 HA3 GLY 13 -7.908 -2.753 11.373 90 H LYS 6 H LYS 14 -6.500 -5.119 11.485 91 HA LYS 6 HA LYS 14 -4.223 -4.861 9.620 92 HB2 LYS 6 HB2 LYS 14 -5.100 -6.901 11.647 93 HB3 LYS 6 HB3 LYS 14 -4.682 -7.582 10.126 94 HG2 LYS 6 HG2 LYS 14 -2.546 -5.880 10.446 95 HG3 LYS 6 HG3 LYS 14 -2.868 -6.330 12.094 96 HD2 LYS 6 HD2 LYS 14 -2.405 -8.222 9.744 97 HD3 LYS 6 HD3 LYS 14 -1.184 -7.744 10.882 98 HE2 LYS 6 HE2 LYS 14 -2.386 -8.866 12.740 99 HE3 LYS 6 HE3 LYS 14 -3.713 -9.286 11.673 100 HZ1 LYS 6 HZ1 LYS 14 -2.209 -11.092 11.928 101 HZ2 LYS 6 HZ2 LYS 14 -2.187 -10.579 10.360 102 HZ3 LYS 6 HZ3 LYS 14 -0.943 -10.195 11.372 103 H TYR 7 H TYR 15 -4.152 -5.881 7.608 104 HA TYR 7 HA TYR 15 -6.664 -6.956 6.475 105 HB2 TYR 7 HB2 TYR 15 -5.097 -4.683 5.161 106 HB3 TYR 7 HB3 TYR 15 -6.551 -5.430 4.565 107 HD1 TYR 7 HD1 TYR 15 -8.765 -4.843 5.504 108 HD2 TYR 7 HD2 TYR 15 -5.141 -3.035 6.991 109 HE1 TYR 7 HE1 TYR 15 -10.105 -3.105 6.663 110 HE2 TYR 7 HE2 TYR 15 -6.487 -1.321 8.168 111 HH TYR 7 HH TYR 15 -8.579 -0.530 8.647 112 H GLN 8 H GLN 16 -6.295 -8.612 5.064 113 HA GLN 8 HA GLN 16 -3.479 -9.302 4.366 114 HB2 GLN 8 HB2 GLN 16 -4.253 -11.560 4.189 115 HB3 GLN 8 HB3 GLN 16 -4.766 -10.920 5.706 116 HG2 GLN 8 HG2 GLN 16 -6.999 -10.433 3.987 117 HG3 GLN 8 HG3 GLN 16 -6.363 -11.953 3.426 118 HE21 GLN 8 HE21 GLN 16 -8.700 -10.731 5.318 119 HE22 GLN 8 HE22 GLN 16 -8.815 -11.973 6.537 120 H LEU 9 H LEU 17 -2.957 -9.890 2.210 121 HA LEU 9 HA LEU 17 -4.134 -8.386 0.130 122 HB2 LEU 9 HB2 LEU 17 -1.746 -9.506 0.534 123 HB3 LEU 9 HB3 LEU 17 -2.403 -10.842 -0.329 124 HG LEU 9 HG LEU 17 -2.050 -7.968 -1.293 125 HD11 LEU 9 HD11 LEU 17 0.024 -8.618 -1.889 126 HD12 LEU 9 HD12 LEU 17 -0.268 -10.229 -1.281 127 HD13 LEU 9 HD13 LEU 17 -0.619 -9.860 -2.953 128 HD21 LEU 9 HD21 LEU 17 -2.609 -9.065 -3.653 129 HD22 LEU 9 HD22 LEU 17 -3.551 -10.184 -2.681 130 HD23 LEU 9 HD23 LEU 17 -3.874 -8.449 -2.618 131 H GLN 10 H GLN 18 -5.788 -8.802 -1.255 132 HA GLN 10 HA GLN 18 -7.043 -11.521 -1.315 133 HB2 GLN 10 HB2 GLN 18 -8.240 -8.732 -1.697 134 HB3 GLN 10 HB3 GLN 18 -9.111 -10.207 -1.975 135 HG2 GLN 10 HG2 GLN 18 -7.943 -9.373 0.728 136 HG3 GLN 10 HG3 GLN 18 -9.593 -9.142 0.210 137 HE21 GLN 10 HE21 GLN 18 -7.441 -11.303 1.758 138 HE22 GLN 10 HE22 GLN 18 -8.509 -12.680 1.840 139 H SER 11 H SER 19 -6.416 -8.571 -3.301 140 HA SER 11 HA SER 19 -6.064 -10.161 -5.732 141 HB2 SER 11 HB2 SER 19 -8.599 -8.624 -5.070 142 HB3 SER 11 HB3 SER 19 -7.984 -8.456 -6.698 143 HG SER 11 HG SER 19 -9.404 -10.209 -6.468 144 H GLN 12 H GLN 20 -5.729 -8.705 -7.659 145 HA GLN 12 HA GLN 20 -4.445 -6.168 -7.208 146 HB2 GLN 12 HB2 GLN 20 -2.139 -7.067 -7.777 147 HB3 GLN 12 HB3 GLN 20 -2.718 -7.443 -6.177 148 HG2 GLN 12 HG2 GLN 20 -3.246 -9.776 -6.819 149 HG3 GLN 12 HG3 GLN 20 -2.867 -9.440 -8.489 150 HE21 GLN 12 HE21 GLN 20 -1.452 -9.797 -5.223 151 HE22 GLN 12 HE22 GLN 20 0.169 -10.111 -5.782 152 H GLU 13 H GLU 21 -3.893 -5.118 -9.118 153 HA GLU 13 HA GLU 21 -4.078 -6.554 -11.695 154 HB2 GLU 13 HB2 GLU 21 -5.598 -3.959 -11.132 155 HB3 GLU 13 HB3 GLU 21 -5.451 -4.750 -12.665 156 HG2 GLU 13 HG2 GLU 21 -6.735 -6.726 -11.789 157 HG3 GLU 13 HG3 GLU 21 -6.904 -5.928 -10.239 158 H ASN 14 H ASN 22 -2.855 -5.597 -13.324 159 HA ASN 14 HA ASN 22 -1.034 -4.811 -14.141 160 HB2 ASN 14 HB2 ASN 22 -2.140 -2.301 -12.817 161 HB3 ASN 14 HB3 ASN 22 -0.590 -2.167 -13.582 162 HD21 ASN 14 HD21 ASN 22 -3.285 -1.025 -14.296 163 HD22 ASN 14 HD22 ASN 22 -3.390 -1.356 -16.011 164 H PHE 15 H PHE 23 -0.749 -6.189 -11.557 165 HA PHE 15 HA PHE 23 1.330 -5.006 -10.031 166 HB2 PHE 15 HB2 PHE 23 -0.043 -6.701 -9.046 167 HB3 PHE 15 HB3 PHE 23 0.376 -7.875 -10.260 168 HD1 PHE 15 HD1 PHE 23 1.691 -5.942 -7.332 169 HD2 PHE 15 HD2 PHE 23 2.547 -9.063 -10.181 170 HE1 PHE 15 HE1 PHE 23 3.639 -6.626 -6.014 171 HE2 PHE 15 HE2 PHE 23 4.511 -9.678 -8.868 172 HZ PHE 15 HZ PHE 23 5.052 -8.490 -6.775 173 H GLU 16 H GLU 24 1.592 -7.705 -12.473 174 HA GLU 16 HA GLU 24 4.411 -7.598 -12.563 175 HB2 GLU 16 HB2 GLU 24 2.496 -8.575 -14.719 176 HB3 GLU 16 HB3 GLU 24 4.221 -8.803 -14.712 177 HG2 GLU 16 HG2 GLU 24 3.819 -9.962 -12.355 178 HG3 GLU 16 HG3 GLU 24 2.149 -10.029 -12.835 179 H ALA 17 H ALA 25 1.989 -5.842 -14.569 180 HA ALA 17 HA ALA 25 3.706 -4.655 -16.418 181 HB1 ALA 17 HB1 ALA 25 1.883 -2.954 -16.652 182 HB2 ALA 17 HB2 ALA 25 1.242 -4.590 -16.596 183 HB3 ALA 17 HB3 ALA 25 1.133 -3.552 -15.177 184 H PHE 18 H PHE 26 2.717 -3.372 -13.195 185 HA PHE 18 HA PHE 26 4.333 -1.031 -13.283 186 HB2 PHE 18 HB2 PHE 26 2.340 -1.226 -11.916 187 HB3 PHE 18 HB3 PHE 26 2.996 -2.566 -11.019 188 HD1 PHE 18 HD1 PHE 26 4.883 -2.196 -9.369 189 HD2 PHE 18 HD2 PHE 26 2.921 1.090 -11.357 190 HE1 PHE 18 HE1 PHE 26 5.832 -0.619 -7.732 191 HE2 PHE 18 HE2 PHE 26 3.849 2.628 -9.664 192 HZ PHE 18 HZ PHE 26 5.306 1.784 -7.878 193 H MET 19 H MET 27 4.884 -4.272 -11.792 194 HA MET 19 HA MET 27 7.298 -3.562 -10.496 195 HB2 MET 19 HB2 MET 27 6.269 -6.320 -11.214 196 HB3 MET 19 HB3 MET 27 7.564 -5.937 -10.101 197 HG2 MET 19 HG2 MET 27 4.969 -4.610 -9.427 198 HG3 MET 19 HG3 MET 27 4.977 -6.345 -9.371 199 HE1 MET 19 HE1 MET 27 6.536 -3.527 -6.235 200 HE2 MET 19 HE2 MET 27 6.609 -3.077 -7.943 201 HE3 MET 19 HE3 MET 27 5.050 -3.472 -7.194 202 H LYS 20 H LYS 28 6.726 -5.125 -13.714 203 HA LYS 20 HA LYS 28 9.514 -5.411 -14.359 204 HB2 LYS 20 HB2 LYS 28 6.965 -5.423 -16.062 205 HB3 LYS 20 HB3 LYS 28 8.532 -5.368 -16.771 206 HG2 LYS 20 HG2 LYS 28 8.360 -7.558 -16.905 207 HG3 LYS 20 HG3 LYS 28 9.117 -7.494 -15.347 208 HD2 LYS 20 HD2 LYS 28 6.921 -7.809 -14.233 209 HD3 LYS 20 HD3 LYS 28 6.103 -7.711 -15.770 210 HE2 LYS 20 HE2 LYS 28 8.143 -9.918 -15.204 211 HE3 LYS 20 HE3 LYS 28 6.443 -10.070 -14.800 212 HZ1 LYS 20 HZ1 LYS 28 6.896 -11.002 -16.896 213 HZ2 LYS 20 HZ2 LYS 28 5.864 -9.731 -17.048 214 HZ3 LYS 20 HZ3 LYS 28 7.448 -9.566 -17.489 215 H ALA 21 H ALA 29 7.188 -2.701 -14.654 216 HA ALA 21 HA ALA 29 8.805 -1.148 -16.434 217 HB1 ALA 21 HB1 ALA 29 7.162 0.669 -15.876 218 HB2 ALA 21 HB2 ALA 29 6.415 -0.833 -16.387 219 HB3 ALA 21 HB3 ALA 29 6.426 -0.392 -14.679 220 H ILE 22 H ILE 30 8.580 -1.225 -12.839 221 HA ILE 22 HA ILE 30 10.501 0.965 -12.567 222 HB ILE 22 HB ILE 30 10.558 0.393 -10.192 223 HG12 ILE 22 HG12 ILE 30 8.407 -1.680 -10.629 224 HG13 ILE 22 HG13 ILE 30 10.076 -2.117 -10.450 225 HG21 ILE 22 HG21 ILE 30 8.334 1.227 -9.643 226 HG22 ILE 22 HG22 ILE 30 8.907 1.987 -11.111 227 HG23 ILE 22 HG23 ILE 30 7.706 0.700 -11.202 228 HD11 ILE 22 HD11 ILE 30 8.851 -2.282 -8.286 229 HD12 ILE 22 HD12 ILE 30 10.160 -1.115 -8.185 230 HD13 ILE 22 HD13 ILE 30 8.488 -0.577 -8.330 231 H GLY 23 H GLY 31 10.793 -2.301 -13.451 232 HA2 GLY 23 HA2 GLY 31 12.719 -3.192 -14.298 233 HA3 GLY 23 HA3 GLY 31 13.699 -1.994 -13.486 234 H LEU 24 H LEU 32 11.310 -4.032 -11.680 235 HA LEU 24 HA LEU 32 13.386 -5.173 -10.053 236 HB2 LEU 24 HB2 LEU 32 10.400 -5.763 -10.360 237 HB3 LEU 24 HB3 LEU 32 11.377 -6.667 -9.261 238 HG LEU 24 HG LEU 32 11.027 -3.666 -9.098 239 HD11 LEU 24 HD11 LEU 32 9.663 -4.419 -6.967 240 HD12 LEU 24 HD12 LEU 32 8.917 -4.508 -8.558 241 HD13 LEU 24 HD13 LEU 32 9.538 -5.965 -7.802 242 HD21 LEU 24 HD21 LEU 32 12.532 -3.577 -7.411 243 HD22 LEU 24 HD22 LEU 32 11.914 -5.039 -6.649 244 HD23 LEU 24 HD23 LEU 32 13.103 -5.154 -7.905 245 HA PRO 25 HA PRO 33 14.207 -8.894 -12.439 246 HB2 PRO 25 HB2 PRO 33 15.008 -10.643 -10.491 247 HB3 PRO 25 HB3 PRO 33 15.948 -9.221 -10.918 248 HG2 PRO 25 HG2 PRO 33 13.963 -9.485 -8.652 249 HG3 PRO 25 HG3 PRO 33 15.632 -8.932 -8.525 250 HD2 PRO 25 HD2 PRO 33 13.574 -7.173 -8.740 251 HD3 PRO 25 HD3 PRO 33 15.089 -6.837 -9.593 252 H GLU 26 H GLU 34 13.170 -10.770 -13.098 253 HA GLU 26 HA GLU 34 10.451 -11.036 -12.660 254 HB2 GLU 26 HB2 GLU 34 11.560 -11.712 -14.679 255 HB3 GLU 26 HB3 GLU 34 12.480 -12.945 -13.864 256 HG2 GLU 26 HG2 GLU 34 10.386 -14.244 -13.404 257 HG3 GLU 26 HG3 GLU 34 9.427 -12.982 -14.150 258 H GLU 27 H GLU 35 13.048 -12.642 -10.814 259 HA GLU 27 HA GLU 35 11.416 -14.606 -9.595 260 HB2 GLU 27 HB2 GLU 35 13.821 -14.778 -9.669 261 HB3 GLU 27 HB3 GLU 35 14.026 -13.346 -8.699 262 HG2 GLU 27 HG2 GLU 35 13.008 -14.469 -6.722 263 HG3 GLU 27 HG3 GLU 35 12.599 -15.865 -7.692 264 H LEU 28 H LEU 36 12.190 -11.241 -8.503 265 HA LEU 28 HA LEU 36 10.636 -11.389 -6.105 266 HB2 LEU 28 HB2 LEU 36 11.686 -9.062 -7.772 267 HB3 LEU 28 HB3 LEU 36 10.700 -8.788 -6.370 268 HG LEU 28 HG LEU 36 13.361 -10.250 -6.323 269 HD11 LEU 28 HD11 LEU 36 13.839 -8.025 -4.852 270 HD12 LEU 28 HD12 LEU 36 14.074 -8.066 -6.579 271 HD13 LEU 28 HD13 LEU 36 12.605 -7.363 -5.914 272 HD21 LEU 28 HD21 LEU 36 12.683 -9.469 -3.675 273 HD22 LEU 28 HD22 LEU 36 11.210 -10.145 -4.314 274 HD23 LEU 28 HD23 LEU 36 12.690 -11.094 -4.333 275 H ILE 29 H ILE 37 9.765 -10.836 -9.456 276 HA ILE 29 HA ILE 37 7.166 -9.675 -8.878 277 HB ILE 29 HB ILE 37 8.347 -10.818 -11.443 278 HG12 ILE 29 HG12 ILE 37 7.910 -7.918 -10.754 279 HG13 ILE 29 HG13 ILE 37 9.401 -8.679 -10.353 280 HG21 ILE 29 HG21 ILE 37 6.503 -9.520 -12.601 281 HG22 ILE 29 HG22 ILE 37 5.910 -10.890 -11.693 282 HG23 ILE 29 HG23 ILE 37 5.755 -9.257 -11.040 283 HD11 ILE 29 HD11 ILE 37 8.787 -7.486 -12.822 284 HD12 ILE 29 HD12 ILE 37 10.212 -8.431 -12.438 285 HD13 ILE 29 HD13 ILE 37 8.830 -9.217 -13.165 286 H GLN 30 H GLN 38 8.340 -12.909 -10.091 287 HA GLN 30 HA GLN 38 5.769 -14.084 -10.096 288 HB2 GLN 30 HB2 GLN 38 8.550 -15.354 -9.983 289 HB3 GLN 30 HB3 GLN 38 7.086 -16.272 -10.172 290 HG2 GLN 30 HG2 GLN 38 8.287 -14.325 -12.174 291 HG3 GLN 30 HG3 GLN 38 8.035 -16.030 -12.362 292 HE21 GLN 30 HE21 GLN 38 6.811 -12.934 -13.031 293 HE22 GLN 30 HE22 GLN 38 5.177 -13.363 -13.474 294 H LYS 31 H LYS 39 8.221 -14.041 -7.450 295 HA LYS 31 HA LYS 39 6.545 -15.610 -5.689 296 HB2 LYS 31 HB2 LYS 39 8.173 -15.163 -4.009 297 HB3 LYS 31 HB3 LYS 39 9.013 -15.452 -5.496 298 HG2 LYS 31 HG2 LYS 39 10.210 -13.599 -4.856 299 HG3 LYS 31 HG3 LYS 39 8.927 -12.784 -5.678 300 HD2 LYS 31 HD2 LYS 39 8.647 -11.541 -3.838 301 HD3 LYS 31 HD3 LYS 39 7.848 -12.908 -3.128 302 HE2 LYS 31 HE2 LYS 39 10.823 -12.277 -2.834 303 HE3 LYS 31 HE3 LYS 39 9.588 -12.013 -1.620 304 HZ1 LYS 31 HZ1 LYS 39 10.772 -14.032 -1.244 305 HZ2 LYS 31 HZ2 LYS 39 9.191 -14.367 -1.573 306 HZ3 LYS 31 HZ3 LYS 39 10.343 -14.621 -2.722 307 H GLY 32 H GLY 40 6.675 -12.168 -6.543 308 HA2 GLY 32 HA2 GLY 40 5.441 -11.146 -4.157 309 HA3 GLY 32 HA3 GLY 40 5.681 -10.322 -5.682 310 H LYS 33 H LYS 41 4.158 -12.294 -7.327 311 HA LYS 33 HA LYS 41 1.393 -11.561 -6.587 312 HB2 LYS 33 HB2 LYS 41 0.822 -12.346 -8.849 313 HB3 LYS 33 HB3 LYS 41 1.923 -11.029 -8.822 314 HG2 LYS 33 HG2 LYS 41 3.481 -12.110 -9.996 315 HG3 LYS 33 HG3 LYS 41 3.502 -13.481 -8.935 316 HD2 LYS 33 HD2 LYS 41 1.508 -13.053 -11.200 317 HD3 LYS 33 HD3 LYS 41 2.957 -14.017 -11.302 318 HE2 LYS 33 HE2 LYS 41 2.083 -15.534 -9.487 319 HE3 LYS 33 HE3 LYS 41 0.593 -14.608 -9.440 320 HZ1 LYS 33 HZ1 LYS 41 0.400 -16.519 -10.825 321 HZ2 LYS 33 HZ2 LYS 41 0.250 -15.155 -11.744 322 HZ3 LYS 33 HZ3 LYS 41 1.650 -16.023 -11.778 323 H ASP 34 H ASP 42 3.486 -14.441 -6.761 324 HA ASP 34 HA ASP 42 1.336 -16.338 -6.591 325 HB2 ASP 34 HB2 ASP 42 3.521 -16.874 -7.619 326 HB3 ASP 34 HB3 ASP 42 4.331 -16.716 -6.100 327 H ILE 35 H ILE 43 3.701 -15.038 -4.182 328 HA ILE 35 HA ILE 43 2.264 -16.299 -1.947 329 HB ILE 35 HB ILE 43 4.653 -14.391 -1.919 330 HG12 ILE 35 HG12 ILE 43 5.347 -16.342 -3.175 331 HG13 ILE 35 HG13 ILE 43 6.130 -16.302 -1.635 332 HG21 ILE 35 HG21 ILE 43 5.108 -15.346 0.352 333 HG22 ILE 35 HG22 ILE 43 3.659 -14.373 0.269 334 HG23 ILE 35 HG23 ILE 43 3.532 -16.126 0.302 335 HD11 ILE 35 HD11 ILE 43 5.450 -18.598 -2.137 336 HD12 ILE 35 HD12 ILE 43 4.454 -18.051 -0.797 337 HD13 ILE 35 HD13 ILE 43 3.788 -18.115 -2.429 338 H LYS 36 H LYS 44 0.701 -15.283 -0.822 339 HA LYS 36 HA LYS 44 0.142 -12.428 -1.184 340 HB2 LYS 36 HB2 LYS 44 -1.258 -14.698 0.300 341 HB3 LYS 36 HB3 LYS 44 -1.637 -13.036 0.623 342 HG2 LYS 36 HG2 LYS 44 -3.257 -13.699 -0.903 343 HG3 LYS 36 HG3 LYS 44 -2.203 -12.612 -1.756 344 HD2 LYS 36 HD2 LYS 44 -1.105 -14.497 -2.915 345 HD3 LYS 36 HD3 LYS 44 -2.024 -15.650 -1.975 346 HE2 LYS 36 HE2 LYS 44 -4.156 -14.740 -2.990 347 HE3 LYS 36 HE3 LYS 44 -3.208 -13.600 -3.931 348 HZ1 LYS 36 HZ1 LYS 44 -3.752 -15.541 -5.180 349 HZ2 LYS 36 HZ2 LYS 44 -2.118 -15.450 -4.975 350 HZ3 LYS 36 HZ3 LYS 44 -3.000 -16.524 -4.089 351 H GLY 37 H GLY 45 0.668 -10.862 0.230 352 HA2 GLY 37 HA2 GLY 45 2.186 -11.491 2.728 353 HA3 GLY 37 HA3 GLY 45 2.093 -9.958 1.886 354 H VAL 38 H VAL 46 1.636 -9.402 4.225 355 HA VAL 38 HA VAL 46 -1.268 -9.055 4.657 356 HB VAL 38 HB VAL 46 0.782 -9.983 6.740 357 HG11 VAL 38 HG11 VAL 46 -1.180 -9.987 8.375 358 HG12 VAL 38 HG12 VAL 46 -0.552 -8.409 7.977 359 HG13 VAL 38 HG13 VAL 46 -2.040 -8.977 7.218 360 HG21 VAL 38 HG21 VAL 46 -0.775 -11.905 7.102 361 HG22 VAL 38 HG22 VAL 46 -1.749 -11.351 5.744 362 HG23 VAL 38 HG23 VAL 46 -0.092 -11.893 5.494 363 H SER 39 H SER 47 -1.688 -7.157 6.093 364 HA SER 39 HA SER 47 0.514 -5.225 6.344 365 HB2 SER 39 HB2 SER 47 -0.765 -5.085 4.028 366 HB3 SER 39 HB3 SER 47 -2.109 -4.475 4.946 367 HG SER 39 HG SER 47 0.511 -3.392 4.795 368 H GLU 40 H GLU 48 -0.050 -3.415 7.750 369 HA GLU 40 HA GLU 48 -2.605 -3.573 9.191 370 HB2 GLU 40 HB2 GLU 48 -0.643 -4.764 10.541 371 HB3 GLU 40 HB3 GLU 48 -0.058 -3.145 10.766 372 HG2 GLU 40 HG2 GLU 48 -1.989 -2.364 11.922 373 HG3 GLU 40 HG3 GLU 48 -2.827 -3.873 11.674 374 H ILE 41 H ILE 49 -3.494 -1.670 9.415 375 HA ILE 41 HA ILE 49 -1.934 0.802 8.766 376 HB ILE 41 HB ILE 49 -4.922 0.212 8.572 377 HG12 ILE 41 HG12 ILE 49 -2.920 0.441 6.292 378 HG13 ILE 41 HG13 ILE 49 -3.650 -1.048 6.810 379 HG21 ILE 41 HG21 ILE 49 -5.135 2.370 7.445 380 HG22 ILE 41 HG22 ILE 49 -4.335 2.652 8.977 381 HG23 ILE 41 HG23 ILE 49 -3.401 2.610 7.480 382 HD11 ILE 41 HD11 ILE 49 -5.098 -0.579 5.083 383 HD12 ILE 41 HD12 ILE 49 -5.948 0.338 6.320 384 HD13 ILE 41 HD13 ILE 49 -4.866 1.161 5.199 385 H VAL 42 H VAL 50 -1.792 2.263 10.437 386 HA VAL 42 HA VAL 50 -3.474 1.888 12.884 387 HB VAL 42 HB VAL 50 -0.463 2.355 12.731 388 HG11 VAL 42 HG11 VAL 50 -0.452 2.125 15.210 389 HG12 VAL 42 HG12 VAL 50 -1.386 3.516 14.708 390 HG13 VAL 42 HG13 VAL 50 -2.211 2.049 15.212 391 HG21 VAL 42 HG21 VAL 50 -0.221 0.129 13.862 392 HG22 VAL 42 HG22 VAL 50 -1.939 -0.158 13.607 393 HG23 VAL 42 HG23 VAL 50 -0.849 0.007 12.233 394 H GLN 43 H GLN 51 -4.421 3.754 13.462 395 HA GLN 43 HA GLN 51 -3.320 6.369 12.507 396 HB2 GLN 43 HB2 GLN 51 -5.481 5.680 11.498 397 HB3 GLN 43 HB3 GLN 51 -6.184 5.484 13.079 398 HG2 GLN 43 HG2 GLN 51 -5.776 7.976 13.514 399 HG3 GLN 43 HG3 GLN 51 -5.193 8.123 11.872 400 HE21 GLN 43 HE21 GLN 51 -7.650 9.196 13.423 401 HE22 GLN 43 HE22 GLN 51 -8.987 8.833 12.364 402 H ASN 44 H ASN 52 -2.761 7.812 14.041 403 HA ASN 44 HA ASN 52 -3.518 7.416 16.909 404 HB2 ASN 44 HB2 ASN 52 -0.705 8.045 15.880 405 HB3 ASN 44 HB3 ASN 52 -1.182 7.802 17.540 406 HD21 ASN 44 HD21 ASN 52 0.518 6.392 15.142 407 HD22 ASN 44 HD22 ASN 52 0.280 4.711 15.540 408 H GLY 45 H GLY 53 -5.002 9.120 15.513 409 HA2 GLY 45 HA2 GLY 53 -5.734 11.300 15.568 410 HA3 GLY 45 HA3 GLY 53 -4.394 11.740 16.615 411 H LYS 46 H LYS 54 -2.844 13.036 15.676 412 HA LYS 46 HA LYS 54 -2.775 13.531 12.839 413 HB2 LYS 46 HB2 LYS 54 -1.623 14.740 15.289 414 HB3 LYS 46 HB3 LYS 54 -0.498 14.760 13.978 415 HG2 LYS 46 HG2 LYS 54 -3.335 15.783 13.692 416 HG3 LYS 46 HG3 LYS 54 -1.986 16.795 14.112 417 HD2 LYS 46 HD2 LYS 54 -0.960 16.632 12.012 418 HD3 LYS 46 HD3 LYS 54 -1.699 15.128 11.586 419 HE2 LYS 46 HE2 LYS 54 -3.223 17.784 11.792 420 HE3 LYS 46 HE3 LYS 54 -2.575 17.127 10.303 421 HZ1 LYS 46 HZ1 LYS 54 -4.854 16.572 10.551 422 HZ2 LYS 46 HZ2 LYS 54 -3.938 15.201 10.577 423 HZ3 LYS 46 HZ3 LYS 54 -4.572 15.795 11.979 424 H HIS 47 H HIS 55 -0.760 11.598 15.081 425 HA HIS 47 HA HIS 55 1.126 10.888 12.980 426 HB2 HIS 47 HB2 HIS 55 0.889 10.423 15.898 427 HB3 HIS 47 HB3 HIS 55 1.363 8.978 15.066 428 HD1 HIS 47 HD1 HIS 55 3.278 10.003 12.881 429 HD2 HIS 47 HD2 HIS 55 3.342 11.408 16.861 430 HE1 HIS 47 HE1 HIS 55 5.564 10.954 13.351 431 H PHE 48 H PHE 56 1.500 8.715 12.256 432 HA PHE 48 HA PHE 56 -0.757 6.872 12.144 433 HB2 PHE 48 HB2 PHE 56 -0.942 8.958 10.403 434 HB3 PHE 48 HB3 PHE 56 0.287 8.097 9.550 435 HD1 PHE 48 HD1 PHE 56 -0.239 5.590 8.886 436 HD2 PHE 48 HD2 PHE 56 -3.236 8.387 10.239 437 HE1 PHE 48 HE1 PHE 56 -1.996 4.209 7.900 438 HE2 PHE 48 HE2 PHE 56 -4.982 6.985 9.211 439 HZ PHE 48 HZ PHE 56 -4.368 4.921 8.025 440 H LYS 49 H LYS 57 0.090 4.816 11.770 441 HA LYS 49 HA LYS 57 2.852 4.587 10.677 442 HB2 LYS 49 HB2 LYS 57 1.658 2.874 12.930 443 HB3 LYS 49 HB3 LYS 57 3.117 2.538 12.053 444 HG2 LYS 49 HG2 LYS 57 3.750 5.036 12.850 445 HG3 LYS 49 HG3 LYS 57 2.637 4.652 14.123 446 HD2 LYS 49 HD2 LYS 57 5.153 3.094 13.356 447 HD3 LYS 49 HD3 LYS 57 4.954 4.104 14.758 448 HE2 LYS 49 HE2 LYS 57 3.229 2.525 15.675 449 HE3 LYS 49 HE3 LYS 57 3.411 1.497 14.263 450 HZ1 LYS 49 HZ1 LYS 57 4.715 0.718 16.069 451 HZ2 LYS 49 HZ2 LYS 57 5.705 1.188 14.837 452 HZ3 LYS 49 HZ3 LYS 57 5.538 2.143 16.171 453 H PHE 50 H PHE 58 3.275 2.747 9.456 454 HA PHE 50 HA PHE 58 0.956 1.132 8.616 455 HB2 PHE 50 HB2 PHE 58 1.158 3.040 7.014 456 HB3 PHE 50 HB3 PHE 58 2.814 2.610 6.708 457 HD1 PHE 50 HD1 PHE 58 2.979 1.828 4.487 458 HD2 PHE 50 HD2 PHE 58 -0.402 0.608 6.885 459 HE1 PHE 50 HE1 PHE 58 2.129 0.440 2.637 460 HE2 PHE 50 HE2 PHE 58 -1.206 -0.761 5.021 461 HZ PHE 50 HZ PHE 58 0.062 -0.865 2.918 462 H THR 51 H THR 59 1.403 -0.894 8.699 463 HA THR 51 HA THR 59 4.195 -1.873 8.923 464 HB THR 51 HB THR 59 1.594 -3.238 9.635 465 HG1 THR 51 HG1 THR 59 2.096 -2.685 11.782 466 HG21 THR 51 HG21 THR 59 2.975 -4.703 11.086 467 HG22 THR 51 HG22 THR 59 3.389 -4.870 9.389 468 HG23 THR 51 HG23 THR 59 4.423 -3.920 10.459 469 H ILE 52 H ILE 60 4.932 -3.015 7.126 470 HA ILE 52 HA ILE 60 2.944 -4.264 5.245 471 HB ILE 52 HB ILE 60 5.658 -2.994 4.665 472 HG12 ILE 52 HG12 ILE 60 2.946 -2.152 3.595 473 HG13 ILE 52 HG13 ILE 60 3.691 -1.394 4.970 474 HG21 ILE 52 HG21 ILE 60 5.100 -3.514 2.230 475 HG22 ILE 52 HG22 ILE 60 5.457 -4.935 3.182 476 HG23 ILE 52 HG23 ILE 60 3.787 -4.527 2.819 477 HD11 ILE 52 HD11 ILE 60 4.621 0.050 3.477 478 HD12 ILE 52 HD12 ILE 60 5.773 -1.224 3.120 479 HD13 ILE 52 HD13 ILE 60 4.343 -1.024 2.113 480 H THR 53 H THR 61 3.022 -6.433 5.456 481 HA THR 53 HA THR 61 5.572 -7.744 6.259 482 HB THR 53 HB THR 61 2.685 -8.635 6.663 483 HG1 THR 53 HG1 THR 61 3.290 -8.366 8.857 484 HG21 THR 53 HG21 THR 61 3.702 -10.432 8.132 485 HG22 THR 53 HG22 THR 61 4.027 -10.681 6.427 486 HG23 THR 53 HG23 THR 61 5.285 -10.030 7.472 487 H ALA 54 H ALA 62 6.571 -8.711 4.548 488 HA ALA 54 HA ALA 62 4.994 -10.299 2.618 489 HB1 ALA 54 HB1 ALA 62 5.972 -9.150 0.683 490 HB2 ALA 54 HB2 ALA 62 5.240 -7.909 1.691 491 HB3 ALA 54 HB3 ALA 62 6.972 -8.129 1.716 492 H GLY 55 H GLY 63 6.144 -11.976 1.716 493 HA2 GLY 55 HA2 GLY 63 7.828 -13.463 1.315 494 HA3 GLY 55 HA3 GLY 63 9.020 -12.262 1.787 495 H SER 56 H SER 64 9.609 -12.072 4.033 496 HA SER 56 HA SER 64 8.378 -13.624 6.100 497 HB2 SER 56 HB2 SER 64 9.799 -15.396 4.935 498 HB3 SER 56 HB3 SER 64 11.221 -14.449 5.303 499 HG SER 56 HG SER 64 10.823 -16.076 6.834 500 H LYS 57 H LYS 65 8.616 -10.878 5.719 501 HA LYS 57 HA LYS 65 10.076 -10.102 8.108 502 HB2 LYS 57 HB2 LYS 65 11.381 -8.340 7.003 503 HB3 LYS 57 HB3 LYS 65 11.915 -9.907 6.510 504 HG2 LYS 57 HG2 LYS 65 11.054 -9.704 4.325 505 HG3 LYS 57 HG3 LYS 65 9.904 -8.471 4.729 506 HD2 LYS 57 HD2 LYS 65 12.908 -7.968 4.857 507 HD3 LYS 57 HD3 LYS 65 11.985 -7.757 3.390 508 HE2 LYS 57 HE2 LYS 65 10.508 -6.108 4.541 509 HE3 LYS 57 HE3 LYS 65 11.429 -6.269 6.025 510 HZ1 LYS 57 HZ1 LYS 65 12.119 -4.381 4.777 511 HZ2 LYS 57 HZ2 LYS 65 13.356 -5.468 4.847 512 HZ3 LYS 57 HZ3 LYS 65 12.477 -5.303 3.461 513 H VAL 58 H VAL 66 9.661 -7.882 8.753 514 HA VAL 58 HA VAL 66 7.050 -6.801 7.787 515 HB VAL 58 HB VAL 66 8.054 -6.934 10.675 516 HG11 VAL 58 HG11 VAL 66 5.734 -6.247 11.271 517 HG12 VAL 58 HG12 VAL 66 6.517 -5.023 10.292 518 HG13 VAL 58 HG13 VAL 66 5.348 -6.110 9.558 519 HG21 VAL 58 HG21 VAL 66 6.228 -8.604 11.083 520 HG22 VAL 58 HG22 VAL 66 5.985 -8.730 9.345 521 HG23 VAL 58 HG23 VAL 66 7.508 -9.231 10.067 522 H ILE 59 H ILE 67 7.118 -4.640 7.337 523 HA ILE 59 HA ILE 67 9.455 -2.976 8.220 524 HB ILE 59 HB ILE 67 7.623 -2.688 5.790 525 HG12 ILE 59 HG12 ILE 67 10.568 -3.384 5.780 526 HG13 ILE 59 HG13 ILE 67 9.295 -4.569 5.653 527 HG21 ILE 59 HG21 ILE 67 9.181 -0.854 5.053 528 HG22 ILE 59 HG22 ILE 67 8.345 -0.426 6.520 529 HG23 ILE 59 HG23 ILE 67 10.018 -0.966 6.594 530 HD11 ILE 59 HD11 ILE 67 9.727 -4.238 3.406 531 HD12 ILE 59 HD12 ILE 67 8.442 -3.057 3.611 532 HD13 ILE 59 HD13 ILE 67 10.127 -2.537 3.598 533 H GLN 60 H GLN 68 8.828 -1.667 9.885 534 HA GLN 60 HA GLN 68 6.042 -0.571 9.953 535 HB2 GLN 60 HB2 GLN 68 8.109 -0.662 12.196 536 HB3 GLN 60 HB3 GLN 68 6.451 -0.175 12.300 537 HG2 GLN 60 HG2 GLN 68 5.875 -2.277 12.869 538 HG3 GLN 60 HG3 GLN 68 6.261 -2.818 11.267 539 HE21 GLN 60 HE21 GLN 68 8.256 -4.008 10.937 540 HE22 GLN 60 HE22 GLN 68 9.261 -4.496 12.273 541 H ASN 61 H ASN 69 5.895 1.457 9.184 542 HA ASN 61 HA ASN 69 8.154 3.380 9.601 543 HB2 ASN 61 HB2 ASN 69 7.452 4.547 7.598 544 HB3 ASN 61 HB3 ASN 69 7.833 2.902 7.205 545 HD21 ASN 61 HD21 ASN 69 6.410 1.896 5.834 546 HD22 ASN 61 HD22 ASN 69 4.757 2.383 5.579 547 H GLU 62 H GLU 70 7.422 5.651 9.809 548 HA GLU 62 HA GLU 70 4.723 6.020 10.869 549 HB2 GLU 62 HB2 GLU 70 6.081 5.464 12.874 550 HB3 GLU 62 HB3 GLU 70 7.229 6.702 12.465 551 HG2 GLU 62 HG2 GLU 70 5.565 8.483 12.836 552 HG3 GLU 62 HG3 GLU 70 4.280 7.317 13.032 553 H PHE 63 H PHE 71 3.885 7.975 10.465 554 HA PHE 63 HA PHE 71 5.528 10.225 9.712 555 HB2 PHE 63 HB2 PHE 71 4.407 10.578 7.523 556 HB3 PHE 63 HB3 PHE 71 5.340 9.112 7.514 557 HD1 PHE 63 HD1 PHE 71 1.914 10.548 7.488 558 HD2 PHE 63 HD2 PHE 71 4.207 6.891 7.427 559 HE1 PHE 63 HE1 PHE 71 -0.099 9.270 6.877 560 HE2 PHE 63 HE2 PHE 71 2.178 5.649 6.802 561 HZ PHE 63 HZ PHE 71 0.035 6.844 6.512 562 H THR 64 H THR 72 4.381 12.236 9.762 563 HA THR 64 HA THR 72 1.760 12.121 11.188 564 HB THR 64 HB THR 72 3.590 14.529 10.812 565 HG1 THR 64 HG1 THR 72 4.110 14.147 13.006 566 HG21 THR 64 HG21 THR 72 2.320 15.507 12.686 567 HG22 THR 64 HG22 THR 72 1.209 15.114 11.387 568 HG23 THR 64 HG23 THR 72 1.327 14.060 12.796 569 H VAL 65 H VAL 73 -0.049 12.817 10.147 570 HA VAL 65 HA VAL 73 -0.033 13.066 7.320 571 HB VAL 65 HB VAL 73 -2.218 13.604 9.377 572 HG11 VAL 65 HG11 VAL 73 -3.876 13.310 7.539 573 HG12 VAL 65 HG12 VAL 73 -2.914 14.748 7.281 574 HG13 VAL 65 HG13 VAL 73 -2.582 13.282 6.358 575 HG21 VAL 65 HG21 VAL 73 -3.053 11.345 8.735 576 HG22 VAL 65 HG22 VAL 73 -1.665 11.130 7.675 577 HG23 VAL 65 HG23 VAL 73 -1.442 11.261 9.415 578 H GLY 66 H GLY 74 0.626 14.775 6.202 579 HA2 GLY 66 HA2 GLY 74 0.280 16.979 5.393 580 HA3 GLY 66 HA3 GLY 74 -0.074 17.572 6.997 581 H GLU 67 H GLU 75 2.497 15.685 7.785 582 HA GLU 67 HA GLU 75 4.548 17.787 7.251 583 HB2 GLU 67 HB2 GLU 75 4.460 15.440 9.181 584 HB3 GLU 67 HB3 GLU 75 5.818 16.478 9.025 585 HG2 GLU 67 HG2 GLU 75 3.076 17.492 9.939 586 HG3 GLU 67 HG3 GLU 75 4.345 16.979 11.018 587 H GLU 68 H GLU 76 6.471 17.286 6.295 588 HA GLU 68 HA GLU 76 6.631 15.114 4.446 589 HB2 GLU 68 HB2 GLU 76 8.830 16.061 3.936 590 HB3 GLU 68 HB3 GLU 76 7.599 17.284 3.958 591 HG2 GLU 68 HG2 GLU 76 8.366 17.961 6.306 592 HG3 GLU 68 HG3 GLU 76 9.671 16.806 6.177 593 H CYS 69 H CYS 77 7.422 13.119 4.655 594 HA CYS 69 HA CYS 77 9.256 12.343 6.827 595 HB2 CYS 69 HB2 CYS 77 6.414 11.245 6.481 596 HB3 CYS 69 HB3 CYS 77 7.660 10.371 7.349 597 HG CYS 69 HG CYS 77 6.297 11.318 9.180 598 H GLU 70 H GLU 78 10.235 10.263 6.449 599 HA GLU 70 HA GLU 78 10.423 9.623 3.577 600 HB2 GLU 70 HB2 GLU 78 12.422 10.188 4.931 601 HB3 GLU 70 HB3 GLU 78 12.132 8.804 5.948 602 HG2 GLU 70 HG2 GLU 78 12.465 7.275 3.978 603 HG3 GLU 70 HG3 GLU 78 12.665 8.661 2.932 604 H LEU 71 H LEU 79 9.414 7.940 2.697 605 HA LEU 71 HA LEU 79 8.364 5.710 4.387 606 HB2 LEU 71 HB2 LEU 79 7.417 7.092 1.866 607 HB3 LEU 71 HB3 LEU 79 7.201 5.379 1.944 608 HG LEU 71 HG LEU 79 5.968 5.505 4.029 609 HD11 LEU 71 HD11 LEU 79 5.086 8.176 4.310 610 HD12 LEU 71 HD12 LEU 79 6.133 7.290 5.397 611 HD13 LEU 71 HD13 LEU 79 6.818 8.315 4.143 612 HD21 LEU 71 HD21 LEU 79 4.000 5.731 2.935 613 HD22 LEU 71 HD22 LEU 79 4.329 7.364 2.378 614 HD23 LEU 71 HD23 LEU 79 4.987 5.998 1.508 615 H GLU 72 H GLU 80 9.004 3.676 4.016 616 HA GLU 72 HA GLU 80 11.194 3.154 2.077 617 HB2 GLU 72 HB2 GLU 80 11.581 2.818 4.543 618 HB3 GLU 72 HB3 GLU 80 10.294 1.650 4.577 619 HG2 GLU 72 HG2 GLU 80 11.606 0.251 2.878 620 HG3 GLU 72 HG3 GLU 80 12.915 1.393 3.008 621 H THR 73 H THR 81 10.917 1.640 0.490 622 HA THR 73 HA THR 81 8.301 0.374 0.017 623 HB THR 73 HB THR 81 10.926 0.208 -1.576 624 HG1 THR 73 HG1 THR 81 9.961 1.829 -2.843 625 HG21 THR 73 HG21 THR 81 9.367 -0.131 -3.565 626 HG22 THR 73 HG22 THR 81 9.369 -1.493 -2.480 627 HG23 THR 73 HG23 THR 81 8.034 -0.344 -2.439 628 H MET 74 H MET 82 8.237 -1.990 -0.553 629 HA MET 74 HA MET 82 9.425 -3.805 1.239 630 HB2 MET 74 HB2 MET 82 8.228 -4.205 -1.536 631 HB3 MET 74 HB3 MET 82 8.654 -5.517 -0.473 632 HG2 MET 74 HG2 MET 82 7.093 -4.675 1.260 633 HG3 MET 74 HG3 MET 82 6.600 -3.361 0.220 634 HE1 MET 74 HE1 MET 82 4.377 -4.974 -2.458 635 HE2 MET 74 HE2 MET 82 4.829 -3.491 -1.611 636 HE3 MET 74 HE3 MET 82 6.019 -4.334 -2.617 637 H THR 75 H THR 83 10.685 -2.507 -1.764 638 HA THR 75 HA THR 83 12.871 -4.411 -2.066 639 HB THR 75 HB THR 83 13.407 -2.998 -4.014 640 HG1 THR 75 HG1 THR 83 12.160 -1.173 -4.462 641 HG21 THR 75 HG21 THR 83 11.299 -3.141 -5.326 642 HG22 THR 75 HG22 THR 83 11.579 -4.619 -4.402 643 HG23 THR 75 HG23 THR 83 10.377 -3.451 -3.870 644 H GLY 76 H GLY 84 12.352 -1.591 -0.143 645 HA2 GLY 76 HA2 GLY 84 13.854 -0.791 1.421 646 HA3 GLY 76 HA3 GLY 84 15.227 -1.384 0.515 647 H GLU 77 H GLU 85 13.131 0.294 -1.652 648 HA GLU 77 HA GLU 85 14.836 2.550 -2.028 649 HB2 GLU 77 HB2 GLU 85 11.944 2.036 -2.863 650 HB3 GLU 77 HB3 GLU 85 12.897 3.340 -3.462 651 HG2 GLU 77 HG2 GLU 85 13.938 0.496 -3.831 652 HG3 GLU 77 HG3 GLU 85 12.581 1.034 -4.789 653 H LYS 78 H LYS 86 14.971 4.395 -0.803 654 HA LYS 78 HA LYS 86 12.742 5.066 1.071 655 HB2 LYS 78 HB2 LYS 86 15.672 5.889 1.219 656 HB3 LYS 78 HB3 LYS 86 14.408 6.201 2.375 657 HG2 LYS 78 HG2 LYS 86 14.201 3.494 2.355 658 HG3 LYS 78 HG3 LYS 86 15.827 3.612 1.751 659 HD2 LYS 78 HD2 LYS 86 16.241 3.471 4.031 660 HD3 LYS 78 HD3 LYS 86 16.247 5.204 3.816 661 HE2 LYS 78 HE2 LYS 86 13.746 5.202 4.480 662 HE3 LYS 78 HE3 LYS 86 13.932 3.506 4.878 663 HZ1 LYS 78 HZ1 LYS 86 14.214 4.853 6.780 664 HZ2 LYS 78 HZ2 LYS 86 15.672 4.162 6.429 665 HZ3 LYS 78 HZ3 LYS 86 15.387 5.755 6.059 666 H VAL 79 H VAL 87 11.625 6.888 0.775 667 HA VAL 79 HA VAL 87 12.670 9.113 -0.844 668 HB VAL 79 HB VAL 87 10.391 9.104 -2.076 669 HG11 VAL 79 HG11 VAL 87 11.204 7.788 -3.938 670 HG12 VAL 79 HG12 VAL 87 12.542 8.679 -3.230 671 HG13 VAL 79 HG13 VAL 87 12.365 6.953 -2.918 672 HG21 VAL 79 HG21 VAL 87 9.322 6.925 -2.510 673 HG22 VAL 79 HG22 VAL 87 10.372 6.133 -1.354 674 HG23 VAL 79 HG23 VAL 87 9.200 7.323 -0.805 675 H LYS 80 H LYS 88 12.056 11.017 -0.135 676 HA LYS 80 HA LYS 88 10.317 11.343 2.152 677 HB2 LYS 80 HB2 LYS 88 11.938 13.222 0.409 678 HB3 LYS 80 HB3 LYS 88 10.881 13.819 1.662 679 HG2 LYS 80 HG2 LYS 88 12.093 12.735 3.426 680 HG3 LYS 80 HG3 LYS 88 12.979 11.724 2.329 681 HD2 LYS 80 HD2 LYS 88 14.450 13.460 3.175 682 HD3 LYS 80 HD3 LYS 88 14.257 13.621 1.459 683 HE2 LYS 80 HE2 LYS 88 14.219 15.844 2.429 684 HE3 LYS 80 HE3 LYS 88 12.609 15.516 1.833 685 HZ1 LYS 80 HZ1 LYS 88 12.516 16.471 3.973 686 HZ2 LYS 80 HZ2 LYS 88 12.001 14.917 4.100 687 HZ3 LYS 80 HZ3 LYS 88 13.511 15.325 4.624 688 H THR 81 H THR 89 8.219 11.745 2.166 689 HA THR 81 HA THR 89 6.755 12.857 -0.125 690 HB THR 81 HB THR 89 6.952 10.380 -0.542 691 HG1 THR 81 HG1 THR 89 5.093 11.369 -1.238 692 HG21 THR 81 HG21 THR 89 5.726 8.760 0.909 693 HG22 THR 81 HG22 THR 89 7.055 9.488 1.796 694 HG23 THR 81 HG23 THR 89 5.393 10.004 2.086 695 H VAL 82 H VAL 90 4.378 13.151 0.497 696 HA VAL 82 HA VAL 90 4.014 13.548 3.442 697 HB VAL 82 HB VAL 90 2.823 15.495 1.438 698 HG11 VAL 82 HG11 VAL 90 2.648 16.969 3.310 699 HG12 VAL 82 HG12 VAL 90 2.189 15.395 3.967 700 HG13 VAL 82 HG13 VAL 90 3.787 16.046 4.252 701 HG21 VAL 82 HG21 VAL 90 4.692 17.109 1.810 702 HG22 VAL 82 HG22 VAL 90 5.656 15.823 2.520 703 HG23 VAL 82 HG23 VAL 90 5.171 15.741 0.827 704 H VAL 83 H VAL 91 2.115 12.712 4.149 705 HA VAL 83 HA VAL 91 0.168 11.668 2.148 706 HB VAL 83 HB VAL 91 0.548 10.999 5.101 707 HG11 VAL 83 HG11 VAL 91 -0.949 9.012 4.572 708 HG12 VAL 83 HG12 VAL 91 -1.755 10.565 4.575 709 HG13 VAL 83 HG13 VAL 91 -1.347 9.791 3.046 710 HG21 VAL 83 HG21 VAL 91 1.379 8.750 4.210 711 HG22 VAL 83 HG22 VAL 91 1.543 9.514 2.642 712 HG23 VAL 83 HG23 VAL 91 2.472 10.103 4.003 713 H GLN 84 H GLN 92 -1.765 12.597 1.968 714 HA GLN 84 HA GLN 92 -2.855 14.433 4.056 715 HB2 GLN 84 HB2 GLN 92 -2.986 14.503 0.991 716 HB3 GLN 84 HB3 GLN 92 -4.188 15.285 1.953 717 HG2 GLN 84 HG2 GLN 92 -2.766 17.027 1.504 718 HG3 GLN 84 HG3 GLN 92 -2.340 16.611 3.140 719 HE21 GLN 84 HE21 GLN 92 -0.177 16.150 3.537 720 HE22 GLN 84 HE22 GLN 92 1.039 15.984 2.297 721 H LEU 85 H LEU 93 -5.317 14.573 3.838 722 HA LEU 85 HA LEU 93 -6.600 12.000 3.126 723 HB2 LEU 85 HB2 LEU 93 -6.011 12.308 5.652 724 HB3 LEU 85 HB3 LEU 93 -7.170 13.588 5.691 725 HG LEU 85 HG LEU 93 -8.012 11.540 6.614 726 HD11 LEU 85 HD11 LEU 93 -10.163 11.583 5.834 727 HD12 LEU 85 HD12 LEU 93 -9.546 13.086 5.183 728 HD13 LEU 85 HD13 LEU 93 -9.703 11.669 4.137 729 HD21 LEU 85 HD21 LEU 93 -8.489 9.722 4.482 730 HD22 LEU 85 HD22 LEU 93 -6.794 10.167 4.390 731 HD23 LEU 85 HD23 LEU 93 -7.458 9.517 5.880 732 H GLU 86 H GLU 94 -8.234 12.394 1.726 733 HA GLU 86 HA GLU 94 -8.897 15.135 1.040 734 HB2 GLU 86 HB2 GLU 94 -9.853 14.194 -0.941 735 HB3 GLU 86 HB3 GLU 94 -8.330 13.425 -0.638 736 HG2 GLU 86 HG2 GLU 94 -9.566 11.457 0.372 737 HG3 GLU 86 HG3 GLU 94 -11.082 12.206 -0.041 738 H GLY 87 H GLY 95 -10.047 13.720 3.597 739 HA2 GLY 87 HA2 GLY 95 -11.872 14.123 4.906 740 HA3 GLY 87 HA3 GLY 95 -12.566 15.119 3.643 741 H ASP 88 H ASP 96 -11.710 11.882 2.592 742 HA ASP 88 HA ASP 96 -14.466 10.860 2.918 743 HB2 ASP 88 HB2 ASP 96 -14.202 12.368 0.767 744 HB3 ASP 88 HB3 ASP 96 -13.140 11.131 0.176 745 H ASN 89 H ASN 97 -12.534 9.810 4.381 746 HA ASN 89 HA ASN 97 -11.381 8.074 4.914 747 HB2 ASN 89 HB2 ASN 97 -12.544 5.735 4.158 748 HB3 ASN 89 HB3 ASN 97 -13.132 6.808 5.322 749 HD21 ASN 89 HD21 ASN 97 -13.825 5.418 2.212 750 HD22 ASN 89 HD22 ASN 97 -15.386 6.171 1.996 751 H LYS 90 H LYS 98 -10.139 9.275 2.693 752 HA LYS 90 HA LYS 98 -8.735 7.035 1.346 753 HB2 LYS 90 HB2 LYS 98 -10.255 9.399 0.184 754 HB3 LYS 90 HB3 LYS 98 -8.998 8.625 -0.745 755 HG2 LYS 90 HG2 LYS 98 -10.217 6.611 -0.963 756 HG3 LYS 90 HG3 LYS 98 -11.270 6.945 0.366 757 HD2 LYS 90 HD2 LYS 98 -12.760 7.413 -1.257 758 HD3 LYS 90 HD3 LYS 98 -12.052 8.993 -1.213 759 HE2 LYS 90 HE2 LYS 98 -11.276 6.782 -3.185 760 HE3 LYS 90 HE3 LYS 98 -12.321 8.147 -3.531 761 HZ1 LYS 90 HZ1 LYS 98 -10.121 8.558 -4.279 762 HZ2 LYS 90 HZ2 LYS 98 -10.499 9.617 -3.069 763 HZ3 LYS 90 HZ3 LYS 98 -9.501 8.348 -2.763 764 H LEU 91 H LEU 99 -6.600 7.249 1.598 765 HA LEU 91 HA LEU 99 -5.454 9.834 2.435 766 HB2 LEU 91 HB2 LEU 99 -4.354 7.004 2.399 767 HB3 LEU 91 HB3 LEU 99 -3.372 8.361 2.782 768 HG LEU 91 HG LEU 99 -5.933 7.984 4.315 769 HD11 LEU 91 HD11 LEU 99 -5.130 6.394 5.818 770 HD12 LEU 91 HD12 LEU 99 -4.699 5.741 4.247 771 HD13 LEU 91 HD13 LEU 99 -3.475 6.513 5.263 772 HD21 LEU 91 HD21 LEU 99 -5.047 9.465 5.834 773 HD22 LEU 91 HD22 LEU 99 -3.447 8.761 5.773 774 HD23 LEU 91 HD23 LEU 99 -3.951 9.903 4.542 775 H VAL 92 H VAL 100 -4.611 11.160 0.963 776 HA VAL 92 HA VAL 100 -3.855 10.180 -1.749 777 HB VAL 92 HB VAL 100 -4.450 12.986 -0.686 778 HG11 VAL 92 HG11 VAL 100 -4.395 13.693 -3.114 779 HG12 VAL 92 HG12 VAL 100 -2.818 13.265 -2.494 780 HG13 VAL 92 HG13 VAL 100 -3.694 12.130 -3.521 781 HG21 VAL 92 HG21 VAL 100 -6.456 12.877 -2.163 782 HG22 VAL 92 HG22 VAL 100 -6.088 11.193 -2.524 783 HG23 VAL 92 HG23 VAL 100 -6.507 11.679 -0.884 784 H THR 93 H THR 101 -1.725 10.085 -2.246 785 HA THR 93 HA THR 101 0.278 11.709 -0.762 786 HB THR 93 HB THR 101 0.345 8.665 -1.141 787 HG1 THR 93 HG1 THR 101 0.361 8.682 1.136 788 HG21 THR 93 HG21 THR 101 2.401 8.678 0.271 789 HG22 THR 93 HG22 THR 101 2.684 9.505 -1.246 790 HG23 THR 93 HG23 THR 101 2.415 10.437 0.230 791 H THR 94 H THR 102 2.214 12.089 -1.973 792 HA THR 94 HA THR 102 2.492 10.876 -4.627 793 HB THR 94 HB THR 102 3.051 13.216 -5.591 794 HG1 THR 94 HG1 THR 102 1.868 14.914 -4.609 795 HG21 THR 94 HG21 THR 102 0.762 13.764 -6.267 796 HG22 THR 94 HG22 THR 102 1.029 12.035 -6.355 797 HG23 THR 94 HG23 THR 102 0.092 12.716 -5.023 798 H PHE 95 H PHE 103 4.513 10.648 -5.240 799 HA PHE 95 HA PHE 103 6.671 11.264 -3.312 800 HB2 PHE 95 HB2 PHE 103 6.483 9.281 -5.643 801 HB3 PHE 95 HB3 PHE 103 7.857 9.462 -4.580 802 HD1 PHE 95 HD1 PHE 103 4.322 8.334 -4.827 803 HD2 PHE 95 HD2 PHE 103 7.731 8.701 -2.215 804 HE1 PHE 95 HE1 PHE 103 3.189 6.963 -3.139 805 HE2 PHE 95 HE2 PHE 103 6.585 7.280 -0.562 806 HZ PHE 95 HZ PHE 103 4.299 6.463 -1.006 807 H LYS 96 H LYS 104 6.763 10.799 -6.855 808 HA LYS 96 HA LYS 104 7.805 13.544 -7.288 809 HB2 LYS 96 HB2 LYS 104 9.129 11.068 -8.500 810 HB3 LYS 96 HB3 LYS 104 9.634 12.730 -8.629 811 HG2 LYS 96 HG2 LYS 104 9.914 12.594 -5.997 812 HG3 LYS 96 HG3 LYS 104 9.767 10.878 -6.217 813 HD2 LYS 96 HD2 LYS 104 12.066 11.063 -6.297 814 HD3 LYS 96 HD3 LYS 104 11.696 11.146 -7.992 815 HE2 LYS 96 HE2 LYS 104 13.306 12.894 -7.506 816 HE3 LYS 96 HE3 LYS 104 11.785 13.685 -7.875 817 HZ1 LYS 96 HZ1 LYS 104 12.829 14.602 -5.944 818 HZ2 LYS 96 HZ2 LYS 104 11.407 13.890 -5.510 819 HZ3 LYS 96 HZ3 LYS 104 12.837 13.139 -5.182 820 H ASN 97 H ASN 105 6.670 10.454 -8.732 821 HA ASN 97 HA ASN 105 4.888 11.878 -10.576 822 HB2 ASN 97 HB2 ASN 105 5.801 10.885 -12.571 823 HB3 ASN 97 HB3 ASN 105 7.081 11.758 -11.786 824 HD21 ASN 97 HD21 ASN 105 6.955 9.349 -13.715 825 HD22 ASN 97 HD22 ASN 105 8.038 8.194 -12.984 826 H ILE 98 H ILE 106 4.990 9.728 -8.230 827 HA ILE 98 HA ILE 106 3.176 7.747 -9.522 828 HB ILE 98 HB ILE 106 4.632 7.492 -6.858 829 HG12 ILE 98 HG12 ILE 106 5.737 5.531 -8.376 830 HG13 ILE 98 HG13 ILE 106 5.480 6.705 -9.623 831 HG21 ILE 98 HG21 ILE 106 3.908 5.115 -7.006 832 HG22 ILE 98 HG22 ILE 106 2.527 6.187 -6.941 833 HG23 ILE 98 HG23 ILE 106 3.005 5.471 -8.475 834 HD11 ILE 98 HD11 ILE 106 7.727 7.008 -8.722 835 HD12 ILE 98 HD12 ILE 106 6.806 8.385 -8.141 836 HD13 ILE 98 HD13 ILE 106 7.134 7.034 -7.065 837 H LYS 99 H LYS 107 1.104 8.243 -9.201 838 HA LYS 99 HA LYS 107 0.291 10.103 -7.059 839 HB2 LYS 99 HB2 LYS 107 -0.145 10.027 -9.773 840 HB3 LYS 99 HB3 LYS 107 -1.596 9.252 -9.259 841 HG2 LYS 99 HG2 LYS 107 -0.559 11.983 -8.351 842 HG3 LYS 99 HG3 LYS 107 -1.739 11.710 -9.596 843 HD2 LYS 99 HD2 LYS 107 -3.293 10.690 -7.874 844 HD3 LYS 99 HD3 LYS 107 -2.114 11.029 -6.639 845 HE2 LYS 99 HE2 LYS 107 -3.806 12.794 -6.615 846 HE3 LYS 99 HE3 LYS 107 -2.278 13.488 -7.116 847 HZ1 LYS 99 HZ1 LYS 107 -4.078 14.226 -8.476 848 HZ2 LYS 99 HZ2 LYS 107 -3.029 13.342 -9.390 849 HZ3 LYS 99 HZ3 LYS 107 -4.462 12.683 -8.910 850 H SER 100 H SER 108 0.313 8.755 -5.261 851 HA SER 100 HA SER 108 -1.173 6.275 -5.128 852 HB2 SER 100 HB2 SER 108 0.804 6.445 -3.804 853 HB3 SER 100 HB3 SER 108 0.372 7.986 -3.159 854 HG SER 100 HG SER 108 -0.003 6.386 -1.647 855 H VAL 101 H VAL 109 -3.238 5.983 -4.702 856 HA VAL 101 HA VAL 109 -4.827 7.951 -3.159 857 HB VAL 101 HB VAL 109 -5.704 6.640 -5.788 858 HG11 VAL 101 HG11 VAL 109 -7.801 7.994 -5.518 859 HG12 VAL 101 HG12 VAL 109 -7.650 6.766 -4.282 860 HG13 VAL 101 HG13 VAL 109 -7.280 8.443 -3.897 861 HG21 VAL 101 HG21 VAL 109 -5.927 8.971 -6.662 862 HG22 VAL 101 HG22 VAL 109 -5.128 9.573 -5.212 863 HG23 VAL 101 HG23 VAL 109 -4.267 8.523 -6.337 864 H THR 102 H THR 110 -4.801 6.653 -1.365 865 HA THR 102 HA THR 110 -5.600 3.828 -1.409 866 HB THR 102 HB THR 110 -5.150 5.849 0.828 867 HG1 THR 102 HG1 THR 110 -3.465 3.746 0.023 868 HG21 THR 102 HG21 THR 110 -4.804 3.853 2.338 869 HG22 THR 102 HG22 THR 110 -6.462 4.029 1.839 870 HG23 THR 102 HG23 THR 110 -5.443 2.811 1.069 871 H GLU 103 H GLU 111 -7.542 3.067 -0.345 872 HA GLU 103 HA GLU 111 -9.596 4.976 0.476 873 HB2 GLU 103 HB2 GLU 111 -10.024 4.609 -1.969 874 HB3 GLU 103 HB3 GLU 111 -10.012 2.897 -1.718 875 HG2 GLU 103 HG2 GLU 111 -12.053 2.999 -0.330 876 HG3 GLU 103 HG3 GLU 111 -12.072 4.746 -0.435 877 H LEU 104 H LEU 112 -10.859 4.255 2.048 878 HA LEU 104 HA LEU 112 -10.686 1.436 3.012 879 HB2 LEU 104 HB2 LEU 112 -9.555 2.903 4.600 880 HB3 LEU 104 HB3 LEU 112 -10.771 4.126 4.433 881 HG LEU 104 HG LEU 112 -12.457 2.573 5.560 882 HD11 LEU 104 HD11 LEU 112 -11.435 0.769 7.005 883 HD12 LEU 104 HD12 LEU 112 -11.416 0.404 5.286 884 HD13 LEU 104 HD13 LEU 112 -9.943 0.942 6.098 885 HD21 LEU 104 HD21 LEU 112 -11.041 2.885 7.849 886 HD22 LEU 104 HD22 LEU 112 -10.201 4.026 6.813 887 HD23 LEU 104 HD23 LEU 112 -11.935 4.167 7.055 888 H ASN 105 H ASN 113 -12.599 0.425 2.750 889 HA ASN 105 HA ASN 113 -15.125 1.906 3.135 890 HB2 ASN 105 HB2 ASN 113 -14.341 0.123 0.777 891 HB3 ASN 105 HB3 ASN 113 -15.970 0.030 1.376 892 HD21 ASN 105 HD21 ASN 113 -13.839 2.928 0.852 893 HD22 ASN 105 HD22 ASN 113 -14.985 3.713 -0.202 894 H GLY 106 H GLY 114 -14.804 1.158 5.305 895 HA2 GLY 106 HA2 GLY 114 -15.235 -0.178 7.084 896 HA3 GLY 106 HA3 GLY 114 -16.159 -1.218 6.012 897 H ASP 107 H ASP 115 -15.392 -3.272 5.856 898 HA ASP 107 HA ASP 115 -12.751 -3.993 6.815 899 HB2 ASP 107 HB2 ASP 115 -15.014 -5.740 5.792 900 HB3 ASP 107 HB3 ASP 115 -13.488 -6.351 6.398 901 H ILE 108 H ILE 116 -13.589 -2.788 3.814 902 HA ILE 108 HA ILE 116 -11.600 -4.532 2.397 903 HB ILE 108 HB ILE 116 -13.810 -2.797 1.213 904 HG12 ILE 108 HG12 ILE 116 -14.907 -4.635 2.346 905 HG13 ILE 108 HG13 ILE 116 -15.045 -4.791 0.631 906 HG21 ILE 108 HG21 ILE 116 -13.305 -4.049 -0.919 907 HG22 ILE 108 HG22 ILE 116 -11.998 -3.006 -0.404 908 HG23 ILE 108 HG23 ILE 116 -11.885 -4.741 -0.140 909 HD11 ILE 108 HD11 ILE 116 -14.586 -6.983 1.721 910 HD12 ILE 108 HD12 ILE 116 -13.287 -6.574 0.610 911 HD13 ILE 108 HD13 ILE 116 -13.060 -6.381 2.347 912 H ILE 109 H ILE 117 -9.797 -3.606 1.686 913 HA ILE 109 HA ILE 117 -9.517 -0.631 1.626 914 HB ILE 109 HB ILE 117 -7.398 -2.823 1.801 915 HG12 ILE 109 HG12 ILE 117 -8.455 -2.655 3.905 916 HG13 ILE 109 HG13 ILE 117 -6.857 -1.993 4.038 917 HG21 ILE 109 HG21 ILE 117 -5.739 -0.954 2.169 918 HG22 ILE 109 HG22 ILE 117 -6.378 -1.006 0.543 919 HG23 ILE 109 HG23 ILE 117 -6.974 0.196 1.678 920 HD11 ILE 109 HD11 ILE 117 -8.076 -0.369 5.211 921 HD12 ILE 109 HD12 ILE 117 -8.224 0.353 3.618 922 HD13 ILE 109 HD13 ILE 117 -9.533 -0.631 4.260 923 H THR 110 H THR 118 -9.000 0.273 -0.309 924 HA THR 110 HA THR 118 -8.238 -1.444 -2.624 925 HB THR 110 HB THR 118 -10.373 0.759 -2.579 926 HG1 THR 110 HG1 THR 118 -11.658 -0.930 -3.366 927 HG21 THR 110 HG21 THR 118 -10.678 0.224 -5.033 928 HG22 THR 110 HG22 THR 118 -9.149 1.018 -4.715 929 HG23 THR 110 HG23 THR 118 -9.193 -0.724 -4.989 930 H ASN 111 H ASN 119 -6.189 -0.776 -3.036 931 HA ASN 111 HA ASN 119 -5.541 2.148 -2.871 932 HB2 ASN 111 HB2 ASN 119 -4.154 -0.091 -1.789 933 HB3 ASN 111 HB3 ASN 119 -3.263 0.242 -3.239 934 HD21 ASN 111 HD21 ASN 119 -2.727 2.743 -3.523 935 HD22 ASN 111 HD22 ASN 119 -2.296 3.598 -2.068 936 H THR 112 H THR 120 -5.066 3.229 -4.643 937 HA THR 112 HA THR 120 -4.483 1.770 -7.173 938 HB THR 112 HB THR 120 -6.325 4.193 -6.797 939 HG1 THR 112 HG1 THR 120 -7.321 2.265 -6.358 940 HG21 THR 112 HG21 THR 120 -6.739 3.938 -9.298 941 HG22 THR 112 HG22 THR 120 -5.132 4.535 -8.929 942 HG23 THR 112 HG23 THR 120 -5.357 2.846 -9.372 943 H MET 113 H MET 121 -2.492 2.320 -7.784 944 HA MET 113 HA MET 121 -1.392 5.049 -7.225 945 HB2 MET 113 HB2 MET 121 -0.020 2.348 -7.607 946 HB3 MET 113 HB3 MET 121 0.821 3.868 -7.647 947 HG2 MET 113 HG2 MET 121 -0.730 3.866 -5.211 948 HG3 MET 113 HG3 MET 121 0.029 2.304 -5.329 949 HE1 MET 113 HE1 MET 121 3.831 3.097 -5.314 950 HE2 MET 113 HE2 MET 121 2.597 1.847 -5.107 951 HE3 MET 113 HE3 MET 121 2.794 2.651 -6.673 952 H THR 114 H THR 122 -0.412 6.133 -8.973 953 HA THR 114 HA THR 122 -0.632 4.906 -11.686 954 HB THR 114 HB THR 122 -1.498 7.721 -10.885 955 HG1 THR 114 HG1 THR 122 -3.470 6.976 -11.790 956 HG21 THR 114 HG21 THR 122 -2.205 7.926 -13.331 957 HG22 THR 114 HG22 THR 122 -0.471 7.967 -13.099 958 HG23 THR 114 HG23 THR 122 -1.235 6.497 -13.680 959 H LEU 115 H LEU 123 1.492 4.511 -11.980 960 HA LEU 115 HA LEU 123 3.463 6.724 -11.705 961 HB2 LEU 115 HB2 LEU 123 4.187 4.828 -10.480 962 HB3 LEU 115 HB3 LEU 123 3.660 3.706 -11.700 963 HG LEU 115 HG LEU 123 5.473 4.262 -13.183 964 HD11 LEU 115 HD11 LEU 123 6.660 6.154 -13.198 965 HD12 LEU 115 HD12 LEU 123 5.693 6.786 -11.885 966 HD13 LEU 115 HD13 LEU 123 7.186 5.951 -11.534 967 HD21 LEU 115 HD21 LEU 123 7.448 3.703 -11.512 968 HD22 LEU 115 HD22 LEU 123 6.137 3.457 -10.369 969 HD23 LEU 115 HD23 LEU 123 6.189 2.532 -11.867 970 H GLY 116 H GLY 124 3.486 7.878 -13.515 971 HA2 GLY 116 HA2 GLY 124 3.731 8.484 -15.688 972 HA3 GLY 116 HA3 GLY 124 4.483 6.922 -15.965 973 H ASP 117 H ASP 125 3.457 5.615 -17.360 974 HA ASP 117 HA ASP 125 0.726 6.184 -18.276 975 HB2 ASP 117 HB2 ASP 125 1.510 4.508 -20.182 976 HB3 ASP 117 HB3 ASP 125 1.997 6.145 -20.176 977 H ILE 118 H ILE 126 1.897 4.186 -15.892 978 HA ILE 118 HA ILE 126 -0.026 1.966 -16.497 979 HB ILE 118 HB ILE 126 2.590 1.985 -14.932 980 HG12 ILE 118 HG12 ILE 126 1.854 0.412 -17.433 981 HG13 ILE 118 HG13 ILE 126 2.745 1.902 -17.472 982 HG21 ILE 118 HG21 ILE 126 2.249 -0.513 -14.635 983 HG22 ILE 118 HG22 ILE 126 1.114 0.431 -13.715 984 HG23 ILE 118 HG23 ILE 126 0.607 -0.329 -15.223 985 HD11 ILE 118 HD11 ILE 126 4.614 0.644 -17.356 986 HD12 ILE 118 HD12 ILE 126 4.258 0.421 -15.647 987 HD13 ILE 118 HD13 ILE 126 3.733 -0.783 -16.824 988 H VAL 119 H VAL 127 -1.436 1.312 -14.882 989 HA VAL 119 HA VAL 127 -1.523 2.946 -12.387 990 HB VAL 119 HB VAL 127 -3.923 1.993 -14.007 991 HG11 VAL 119 HG11 VAL 127 -5.260 3.395 -12.455 992 HG12 VAL 119 HG12 VAL 127 -4.404 2.169 -11.538 993 HG13 VAL 119 HG13 VAL 127 -3.816 3.817 -11.554 994 HG21 VAL 119 HG21 VAL 127 -4.342 4.409 -14.485 995 HG22 VAL 119 HG22 VAL 127 -2.769 4.798 -13.800 996 HG23 VAL 119 HG23 VAL 127 -2.883 3.818 -15.258 997 H PHE 120 H PHE 128 -0.585 1.449 -11.066 998 HA PHE 120 HA PHE 128 -1.329 -1.330 -10.883 999 HB2 PHE 120 HB2 PHE 128 0.892 -0.591 -10.293 1000 HB3 PHE 120 HB3 PHE 128 0.293 0.602 -9.186 1001 HD1 PHE 120 HD1 PHE 128 -0.380 -3.110 -9.600 1002 HD2 PHE 120 HD2 PHE 128 1.048 0.045 -7.021 1003 HE1 PHE 120 HE1 PHE 128 -0.077 -4.712 -7.779 1004 HE2 PHE 120 HE2 PHE 128 1.397 -1.609 -5.232 1005 HZ PHE 120 HZ PHE 128 0.852 -3.979 -5.607 1006 H LYS 121 H LYS 129 -2.803 -2.342 -9.539 1007 HA LYS 121 HA LYS 129 -4.147 -0.740 -7.433 1008 HB2 LYS 121 HB2 LYS 129 -5.474 -2.777 -9.294 1009 HB3 LYS 121 HB3 LYS 129 -6.143 -2.258 -7.791 1010 HG2 LYS 121 HG2 LYS 129 -7.303 -0.899 -9.139 1011 HG3 LYS 121 HG3 LYS 129 -6.023 0.172 -8.648 1012 HD2 LYS 121 HD2 LYS 129 -4.875 -0.101 -10.781 1013 HD3 LYS 121 HD3 LYS 129 -5.912 -1.424 -11.252 1014 HE2 LYS 121 HE2 LYS 129 -7.882 0.182 -11.257 1015 HE3 LYS 121 HE3 LYS 129 -6.782 1.494 -10.870 1016 HZ1 LYS 121 HZ1 LYS 129 -7.205 1.333 -13.204 1017 HZ2 LYS 121 HZ2 LYS 129 -5.610 1.018 -12.906 1018 HZ3 LYS 121 HZ3 LYS 129 -6.647 -0.219 -13.251 1019 H ARG 122 H ARG 130 -4.720 -1.795 -5.597 1020 HA ARG 122 HA ARG 130 -4.010 -4.616 -5.162 1021 HB2 ARG 122 HB2 ARG 130 -2.762 -2.194 -3.878 1022 HB3 ARG 122 HB3 ARG 130 -3.334 -3.348 -2.725 1023 HG2 ARG 122 HG2 ARG 130 -1.497 -4.063 -4.999 1024 HG3 ARG 122 HG3 ARG 130 -0.909 -3.658 -3.406 1025 HD2 ARG 122 HD2 ARG 130 -2.509 -5.624 -2.579 1026 HD3 ARG 122 HD3 ARG 130 -2.511 -6.112 -4.256 1027 HE ARG 122 HE ARG 130 -0.208 -6.141 -2.483 1028 HH11 ARG 122 HH11 ARG 130 -1.159 -6.237 -5.891 1029 HH12 ARG 122 HH12 ARG 130 0.309 -7.042 -6.392 1030 HH21 ARG 122 HH21 ARG 130 1.656 -7.223 -3.128 1031 HH22 ARG 122 HH22 ARG 130 1.924 -7.588 -4.814 1032 H ILE 123 H ILE 131 -5.539 -5.638 -3.983 1033 HA ILE 123 HA ILE 131 -7.577 -4.045 -2.502 1034 HB ILE 123 HB ILE 131 -8.027 -6.637 -4.060 1035 HG12 ILE 123 HG12 ILE 131 -9.841 -4.952 -5.144 1036 HG13 ILE 123 HG13 ILE 131 -8.661 -3.757 -4.726 1037 HG21 ILE 123 HG21 ILE 131 -10.432 -6.365 -3.430 1038 HG22 ILE 123 HG22 ILE 131 -9.440 -6.621 -2.019 1039 HG23 ILE 123 HG23 ILE 131 -10.007 -4.999 -2.405 1040 HD11 ILE 123 HD11 ILE 131 -8.013 -4.339 -6.922 1041 HD12 ILE 123 HD12 ILE 131 -7.003 -5.485 -6.059 1042 HD13 ILE 123 HD13 ILE 131 -8.531 -6.011 -6.749 1043 H SER 124 H SER 132 -7.831 -4.675 -0.436 1044 HA SER 124 HA SER 132 -6.832 -7.296 0.502 1045 HB2 SER 124 HB2 SER 132 -6.009 -4.540 1.602 1046 HB3 SER 124 HB3 SER 132 -5.837 -6.024 2.515 1047 HG SER 124 HG SER 132 -3.958 -5.450 1.373 1048 H LYS 125 H LYS 133 -7.773 -7.927 2.571 1049 HA LYS 125 HA LYS 133 -10.224 -6.470 3.349 1050 HB2 LYS 125 HB2 LYS 133 -10.945 -8.120 1.749 1051 HB3 LYS 125 HB3 LYS 133 -10.085 -9.406 2.556 1052 HG2 LYS 125 HG2 LYS 133 -12.207 -7.926 4.111 1053 HG3 LYS 125 HG3 LYS 133 -12.724 -8.982 2.837 1054 HD2 LYS 125 HD2 LYS 133 -11.834 -10.931 3.857 1055 HD3 LYS 125 HD3 LYS 133 -10.780 -10.054 4.912 1056 HE2 LYS 125 HE2 LYS 133 -12.648 -10.929 6.221 1057 HE3 LYS 125 HE3 LYS 133 -12.790 -9.182 6.181 1058 HZ1 LYS 125 HZ1 LYS 133 -14.865 -10.230 5.775 1059 HZ2 LYS 125 HZ2 LYS 133 -14.397 -9.410 4.426 1060 HZ3 LYS 125 HZ3 LYS 133 -14.272 -11.055 4.475 1061 H ARG 126 H ARG 134 -10.844 -6.651 5.446 1062 HA ARG 126 HA ARG 134 -8.761 -6.697 7.242 1063 HB2 ARG 126 HB2 ARG 134 -10.748 -5.280 7.283 1064 HB3 ARG 126 HB3 ARG 134 -11.760 -6.594 7.800 1065 HG2 ARG 126 HG2 ARG 134 -10.829 -6.657 9.942 1066 HG3 ARG 126 HG3 ARG 134 -9.342 -5.878 9.522 1067 HD2 ARG 126 HD2 ARG 134 -10.335 -4.053 10.600 1068 HD3 ARG 126 HD3 ARG 134 -10.827 -3.800 8.964 1069 HE ARG 126 HE ARG 134 -12.970 -4.295 9.245 1070 HH11 ARG 126 HH11 ARG 134 -11.256 -5.141 12.248 1071 HH12 ARG 126 HH12 ARG 134 -12.729 -5.345 13.160 1072 HH21 ARG 126 HH21 ARG 134 -14.829 -4.573 10.414 1073 HH22 ARG 126 HH22 ARG 134 -14.800 -4.977 12.119 1074 H ILE 127 H ILE 135 -8.167 -7.898 9.034 1075 HA ILE 127 HA ILE 135 -8.771 -10.798 8.818 1076 HB ILE 127 HB ILE 135 -6.498 -9.505 10.373 1077 HG12 ILE 127 HG12 ILE 135 -6.363 -10.399 7.482 1078 HG13 ILE 127 HG13 ILE 135 -6.337 -8.750 7.991 1079 HG21 ILE 127 HG21 ILE 135 -5.435 -11.745 10.140 1080 HG22 ILE 127 HG22 ILE 135 -7.003 -11.919 10.883 1081 HG23 ILE 127 HG23 ILE 135 -6.794 -12.314 9.182 1082 HD11 ILE 127 HD11 ILE 135 -4.103 -8.889 8.037 1083 HD12 ILE 127 HD12 ILE 135 -4.235 -9.870 9.485 1084 HD13 ILE 127 HD13 ILE 135 -4.112 -10.648 7.916 1085 H2 2VN 201 H152 DRG 176 1.173 3.673 2.665 1086 H1 2VN 201 H151 DRG 176 0.740 5.334 2.405 1087 H18 2VN 201 H212 DRG 176 2.146 5.043 -1.915 1088 H17 2VN 201 H211 DRG 176 1.258 5.081 -0.428 1089 H20 2VN 201 H222 DRG 176 3.524 4.511 0.115 1090 H19 2VN 201 H221 DRG 176 2.530 3.160 0.462 1091 H22 2VN 201 H232 DRG 176 4.153 1.976 -0.608 1092 H21 2VN 201 H231 DRG 176 3.238 2.369 -2.030 1093 H23 2VN 201 H24 DRG 176 4.777 4.323 -2.405 1094 H24 2VN 201 H251 DRG 176 5.129 2.095 -3.529 1095 H25 2VN 201 H252 DRG 176 6.185 1.644 -2.222 1096 H26 2VN 201 H261 DRG 176 6.681 3.580 -4.462 1097 H27 2VN 201 H262 DRG 176 7.749 2.414 -3.750 1098 H28 2VN 201 H271 DRG 176 7.197 5.261 -2.970 1099 H29 2VN 201 H272 DRG 176 8.720 4.421 -2.970 1100 H31 2VN 201 H282 DRG 176 8.106 3.283 -0.838 1101 H30 2VN 201 H281 DRG 176 7.972 4.993 -0.644 1102 H32 2VN 201 H291 DRG 176 6.073 3.239 0.129 1103 H33 2VN 201 H292 DRG 176 5.711 4.876 -0.287 1104 H35 2VN 201 H112 DRG 176 2.313 0.785 -0.195 1105 H34 2VN 201 H111 DRG 176 2.511 -0.012 -1.730 1106 H3 2VN 201 H14 DRG 176 -1.501 4.885 1.946 1107 HK6 2VN 201 H7 DRG 176 3.557 -1.759 -0.342 1108 HL7 2VN 201 H6 DRG 176 3.168 -3.924 0.746 1109 HL8 2VN 201 H8 DRG 176 -1.002 -2.976 1.149 1110 HK9 2VN 201 H9 DRG 176 -0.646 -0.854 0.033 1111 HJ2 2VN 201 H43 DRG 176 0.664 -8.591 0.450 1112 HJ1 2VN 201 H42 DRG 176 -0.624 -7.391 0.558 1113 HJ0 2VN 201 H41 DRG 176 0.183 -7.919 2.008 1114 HJ4 2VN 201 H32 DRG 176 3.091 -7.909 0.934 1115 HJ5 2VN 201 H33 DRG 176 3.505 -6.225 1.240 1116 HJ3 2VN 201 H31 DRG 176 2.669 -7.152 2.464 1117 H4 2VN 201 H191 DRG 176 -1.272 2.139 3.201 1118 H5 2VN 201 H192 DRG 176 -2.708 2.762 2.453 1119 H7 2VN 201 H182 DRG 176 -2.174 2.922 5.113 1120 H6 2VN 201 H181 DRG 176 -3.206 4.064 4.320 1121 H9 2VN 201 H172 DRG 176 -1.309 5.015 5.847 1122 H8 2VN 201 H171 DRG 176 -1.556 5.778 4.300 1123 H11 2VN 201 H162 DRG 176 0.544 3.668 4.864 1124 H10 2VN 201 H161 DRG 176 0.874 5.368 4.717 1125 H14 2VN 201 H122 DRG 176 -0.317 0.373 -1.573 1126 H13 2VN 201 H121 DRG 176 0.825 1.120 -2.600 1127 H16 2VN 201 H202 DRG 176 1.094 3.088 -2.674 1128 H15 2VN 201 H201 DRG 176 -0.208 3.980 -1.976 1129 H12 2VN 201 HN2 DRG 176 -0.697 4.263 0.029 Start of MODEL 5 1 H1 HIS -7 H1 HIS 1 -25.607 -10.291 13.959 2 H2 HIS -7 H2 HIS 1 -26.341 -10.206 12.457 3 H3 HIS -7 H3 HIS 1 -25.466 -11.539 12.938 4 HA HIS -7 HA HIS 1 -23.497 -10.658 12.687 5 HB2 HIS -7 HB2 HIS 1 -23.286 -9.827 10.479 6 HB3 HIS -7 HB3 HIS 1 -24.395 -11.155 10.585 7 HD1 HIS -7 HD1 HIS 1 -26.943 -10.661 10.007 8 HD2 HIS -7 HD2 HIS 1 -24.362 -7.367 9.455 9 HE1 HIS -7 HE1 HIS 1 -28.165 -8.907 8.663 10 H HIS -6 H HIS 2 -24.353 -9.140 14.878 11 HA HIS -6 HA HIS 2 -24.325 -7.303 16.050 12 HB2 HIS -6 HB2 HIS 2 -22.379 -5.861 15.834 13 HB3 HIS -6 HB3 HIS 2 -21.948 -7.521 15.581 14 HD1 HIS -6 HD1 HIS 2 -22.698 -4.410 13.453 15 HD2 HIS -6 HD2 HIS 2 -20.389 -7.933 13.265 16 HE1 HIS -6 HE1 HIS 2 -21.325 -4.352 11.321 17 H HIS -5 H HIS 3 -26.384 -7.245 14.077 18 HA HIS -5 HA HIS 3 -26.626 -4.816 12.728 19 HB2 HIS -5 HB2 HIS 3 -27.861 -7.008 12.357 20 HB3 HIS -5 HB3 HIS 3 -28.873 -6.634 13.725 21 HD1 HIS -5 HD1 HIS 3 -30.469 -4.421 13.423 22 HD2 HIS -5 HD2 HIS 3 -28.626 -5.847 9.905 23 HE1 HIS -5 HE1 HIS 3 -31.655 -3.407 11.430 24 H HIS -4 H HIS 4 -27.468 -2.870 13.176 25 HA HIS -4 HA HIS 4 -28.047 -1.042 14.229 26 HB2 HIS -4 HB2 HIS 4 -30.208 -2.202 14.606 27 HB3 HIS -4 HB3 HIS 4 -29.651 -2.817 16.138 28 HD1 HIS -4 HD1 HIS 4 -29.864 0.705 14.551 29 HD2 HIS -4 HD2 HIS 4 -30.632 -1.245 18.215 30 HE1 HIS -4 HE1 HIS 4 -30.773 2.406 16.185 31 H HIS -3 H HIS 5 -25.745 -0.901 14.618 32 HA HIS -3 HA HIS 5 -25.227 -0.106 17.324 33 HB2 HIS -3 HB2 HIS 5 -24.199 -2.742 16.391 34 HB3 HIS -3 HB3 HIS 5 -22.900 -1.687 16.835 35 HD1 HIS -3 HD1 HIS 5 -23.387 -0.401 19.351 36 HD2 HIS -3 HD2 HIS 5 -25.072 -4.199 18.621 37 HE1 HIS -3 HE1 HIS 5 -23.940 -1.468 21.575 38 H HIS -2 H HIS 6 -23.513 1.324 17.489 39 HA HIS -2 HA HIS 6 -22.746 2.762 15.109 40 HB2 HIS -2 HB2 HIS 6 -21.955 2.950 18.056 41 HB3 HIS -2 HB3 HIS 6 -21.265 3.980 16.833 42 HD1 HIS -2 HD1 HIS 6 -24.853 3.111 17.991 43 HD2 HIS -2 HD2 HIS 6 -22.597 6.390 16.592 44 HE1 HIS -2 HE1 HIS 6 -26.325 5.162 18.020 45 H VAL -1 H VAL 7 -21.078 2.378 13.803 46 HA VAL -1 HA VAL 7 -18.824 0.629 14.703 47 HB VAL -1 HB VAL 7 -18.573 0.007 12.340 48 HG11 VAL -1 HG11 VAL 7 -20.429 -1.580 12.201 49 HG12 VAL -1 HG12 VAL 7 -19.836 -1.468 13.850 50 HG13 VAL -1 HG13 VAL 7 -21.341 -0.673 13.401 51 HG21 VAL -1 HG21 VAL 7 -20.388 0.377 10.674 52 HG22 VAL -1 HG22 VAL 7 -21.160 1.519 11.762 53 HG23 VAL -1 HG23 VAL 7 -19.569 1.865 11.084 54 H ALA 0 H ALA 8 -19.736 3.622 13.003 55 HA ALA 0 HA ALA 8 -18.655 5.376 12.244 56 HB1 ALA 0 HB1 ALA 8 -16.835 6.298 13.619 57 HB2 ALA 0 HB2 ALA 8 -17.988 5.508 14.673 58 HB3 ALA 0 HB3 ALA 8 -16.467 4.711 14.289 59 H MET 1 H MET 9 -15.693 5.809 12.082 60 HA MET 1 HA MET 9 -14.767 3.735 10.241 61 HB2 MET 1 HB2 MET 9 -15.352 6.596 9.466 62 HB3 MET 1 HB3 MET 9 -13.817 5.990 8.947 63 HG2 MET 1 HG2 MET 9 -16.325 4.388 8.334 64 HG3 MET 1 HG3 MET 9 -15.837 5.746 7.366 65 HE1 MET 1 HE1 MET 9 -13.893 1.592 7.282 66 HE2 MET 1 HE2 MET 9 -13.829 2.393 8.833 67 HE3 MET 1 HE3 MET 9 -15.405 2.034 8.094 68 H SER 2 H SER 10 -12.607 3.403 10.287 69 HA SER 2 HA SER 10 -10.753 5.177 11.591 70 HB2 SER 2 HB2 SER 10 -11.797 4.172 13.624 71 HB3 SER 2 HB3 SER 10 -11.548 2.559 12.988 72 HG SER 2 HG SER 10 -9.940 3.188 14.466 73 H PHE 3 H PHE 11 -8.844 4.889 10.664 74 HA PHE 3 HA PHE 11 -8.269 2.946 8.665 75 HB2 PHE 3 HB2 PHE 11 -6.753 5.116 10.095 76 HB3 PHE 3 HB3 PHE 11 -5.855 3.969 9.165 77 HD1 PHE 3 HD1 PHE 11 -8.162 6.813 9.010 78 HD2 PHE 3 HD2 PHE 11 -6.297 3.695 6.676 79 HE1 PHE 3 HE1 PHE 11 -8.706 8.011 6.927 80 HE2 PHE 3 HE2 PHE 11 -6.857 4.926 4.619 81 HZ PHE 3 HZ PHE 11 -8.026 7.085 4.749 82 H SER 4 H SER 12 -7.653 2.922 12.142 83 HA SER 4 HA SER 12 -5.562 1.105 12.242 84 HB2 SER 4 HB2 SER 12 -6.306 2.624 14.066 85 HB3 SER 4 HB3 SER 12 -7.741 1.649 14.312 86 HG SER 4 HG SER 12 -6.057 1.118 15.745 87 H GLY 5 H GLY 13 -5.370 -1.025 11.858 88 HA2 GLY 5 HA2 GLY 13 -6.750 -3.175 12.727 89 HA3 GLY 5 HA3 GLY 13 -7.707 -2.729 11.315 90 H LYS 6 H LYS 14 -6.412 -5.159 11.398 91 HA LYS 6 HA LYS 14 -4.105 -5.008 9.533 92 HB2 LYS 6 HB2 LYS 14 -5.193 -7.073 11.479 93 HB3 LYS 6 HB3 LYS 14 -4.433 -7.652 10.049 94 HG2 LYS 6 HG2 LYS 14 -2.719 -5.597 11.160 95 HG3 LYS 6 HG3 LYS 14 -3.127 -6.712 12.403 96 HD2 LYS 6 HD2 LYS 14 -2.121 -7.680 9.685 97 HD3 LYS 6 HD3 LYS 14 -1.030 -7.246 10.971 98 HE2 LYS 6 HE2 LYS 14 -1.951 -8.970 12.460 99 HE3 LYS 6 HE3 LYS 14 -3.233 -9.347 11.336 100 HZ1 LYS 6 HZ1 LYS 14 -1.462 -10.907 11.195 101 HZ2 LYS 6 HZ2 LYS 14 -1.576 -10.082 9.772 102 HZ3 LYS 6 HZ3 LYS 14 -0.370 -9.724 10.838 103 H TYR 7 H TYR 15 -4.111 -6.079 7.559 104 HA TYR 7 HA TYR 15 -6.637 -7.150 6.478 105 HB2 TYR 7 HB2 TYR 15 -5.086 -4.917 5.078 106 HB3 TYR 7 HB3 TYR 15 -6.579 -5.648 4.558 107 HD1 TYR 7 HD1 TYR 15 -5.027 -3.238 6.884 108 HD2 TYR 7 HD2 TYR 15 -8.744 -4.984 5.561 109 HE1 TYR 7 HE1 TYR 15 -6.295 -1.495 8.116 110 HE2 TYR 7 HE2 TYR 15 -10.001 -3.231 6.773 111 HH TYR 7 HH TYR 15 -9.868 -1.342 8.107 112 H GLN 8 H GLN 16 -6.306 -8.419 4.516 113 HA GLN 8 HA GLN 16 -3.458 -9.208 3.998 114 HB2 GLN 8 HB2 GLN 16 -4.108 -11.510 3.966 115 HB3 GLN 8 HB3 GLN 16 -4.643 -10.837 5.465 116 HG2 GLN 8 HG2 GLN 16 -6.957 -10.512 3.981 117 HG3 GLN 8 HG3 GLN 16 -6.253 -11.853 3.125 118 HE21 GLN 8 HE21 GLN 16 -8.445 -11.112 5.453 119 HE22 GLN 8 HE22 GLN 16 -8.365 -12.560 6.423 120 H LEU 9 H LEU 17 -2.944 -9.593 1.851 121 HA LEU 9 HA LEU 17 -4.366 -8.252 -0.157 122 HB2 LEU 9 HB2 LEU 17 -1.937 -8.728 -0.204 123 HB3 LEU 9 HB3 LEU 17 -2.245 -10.432 -0.302 124 HG LEU 9 HG LEU 17 -3.294 -10.103 -2.560 125 HD11 LEU 9 HD11 LEU 17 -2.356 -7.555 -3.382 126 HD12 LEU 9 HD12 LEU 17 -4.012 -8.084 -3.191 127 HD13 LEU 9 HD13 LEU 17 -3.194 -7.269 -1.873 128 HD21 LEU 9 HD21 LEU 17 -0.753 -9.003 -3.328 129 HD22 LEU 9 HD22 LEU 17 -0.501 -9.966 -1.892 130 HD23 LEU 9 HD23 LEU 17 -1.271 -10.676 -3.297 131 H GLN 10 H GLN 18 -5.863 -8.773 -1.632 132 HA GLN 10 HA GLN 18 -7.086 -11.506 -1.574 133 HB2 GLN 10 HB2 GLN 18 -8.335 -8.753 -2.076 134 HB3 GLN 10 HB3 GLN 18 -9.175 -10.262 -2.267 135 HG2 GLN 10 HG2 GLN 18 -8.020 -9.237 0.375 136 HG3 GLN 10 HG3 GLN 18 -9.683 -9.103 -0.125 137 HE21 GLN 10 HE21 GLN 18 -7.441 -11.049 1.547 138 HE22 GLN 10 HE22 GLN 18 -8.433 -12.475 1.710 139 H SER 11 H SER 19 -6.480 -8.600 -3.639 140 HA SER 11 HA SER 19 -5.846 -10.229 -5.952 141 HB2 SER 11 HB2 SER 19 -8.392 -10.295 -5.869 142 HB3 SER 11 HB3 SER 19 -8.421 -8.545 -5.921 143 HG SER 11 HG SER 19 -8.699 -9.497 -7.964 144 H GLN 12 H GLN 20 -5.353 -8.845 -7.850 145 HA GLN 12 HA GLN 20 -4.956 -6.053 -7.531 146 HB2 GLN 12 HB2 GLN 20 -2.372 -6.237 -7.943 147 HB3 GLN 12 HB3 GLN 20 -3.028 -6.269 -6.350 148 HG2 GLN 12 HG2 GLN 20 -1.348 -7.853 -6.305 149 HG3 GLN 12 HG3 GLN 20 -2.795 -8.807 -6.298 150 HE21 GLN 12 HE21 GLN 20 -0.363 -9.943 -6.872 151 HE22 GLN 12 HE22 GLN 20 -0.279 -10.377 -8.560 152 H GLU 13 H GLU 21 -4.021 -5.009 -9.441 153 HA GLU 13 HA GLU 21 -4.148 -6.595 -11.941 154 HB2 GLU 13 HB2 GLU 21 -5.593 -3.919 -11.607 155 HB3 GLU 13 HB3 GLU 21 -5.532 -4.910 -13.025 156 HG2 GLU 13 HG2 GLU 21 -6.880 -6.688 -11.890 157 HG3 GLU 13 HG3 GLU 21 -6.963 -5.710 -10.439 158 H ASN 14 H ASN 22 -2.744 -5.818 -13.504 159 HA ASN 14 HA ASN 22 -0.902 -5.028 -14.290 160 HB2 ASN 14 HB2 ASN 22 -2.031 -2.417 -13.167 161 HB3 ASN 14 HB3 ASN 22 -0.501 -2.386 -13.982 162 HD21 ASN 14 HD21 ASN 22 -3.232 -1.278 -14.698 163 HD22 ASN 14 HD22 ASN 22 -3.379 -1.735 -16.379 164 H PHE 15 H PHE 23 -0.743 -6.220 -11.597 165 HA PHE 15 HA PHE 23 1.230 -4.915 -10.025 166 HB2 PHE 15 HB2 PHE 23 -0.173 -6.596 -9.054 167 HB3 PHE 15 HB3 PHE 23 0.320 -7.803 -10.210 168 HD1 PHE 15 HD1 PHE 23 1.402 -5.857 -7.215 169 HD2 PHE 15 HD2 PHE 23 2.505 -8.944 -10.020 170 HE1 PHE 15 HE1 PHE 23 3.383 -6.400 -5.878 171 HE2 PHE 15 HE2 PHE 23 4.481 -9.414 -8.685 172 HZ PHE 15 HZ PHE 23 4.930 -8.165 -6.600 173 H GLU 16 H GLU 24 1.612 -7.663 -12.311 174 HA GLU 16 HA GLU 24 4.397 -7.814 -12.458 175 HB2 GLU 16 HB2 GLU 24 2.075 -8.484 -14.284 176 HB3 GLU 16 HB3 GLU 24 3.656 -8.625 -14.941 177 HG2 GLU 16 HG2 GLU 24 3.098 -10.004 -12.277 178 HG3 GLU 16 HG3 GLU 24 2.381 -10.659 -13.722 179 H ALA 17 H ALA 25 2.166 -5.876 -14.526 180 HA ALA 17 HA ALA 25 4.075 -4.726 -16.215 181 HB1 ALA 17 HB1 ALA 25 2.246 -3.077 -16.707 182 HB2 ALA 17 HB2 ALA 25 1.657 -4.733 -16.697 183 HB3 ALA 17 HB3 ALA 25 1.338 -3.677 -15.324 184 H PHE 18 H PHE 26 2.731 -3.407 -13.132 185 HA PHE 18 HA PHE 26 4.222 -0.969 -13.233 186 HB2 PHE 18 HB2 PHE 26 2.144 -1.039 -12.095 187 HB3 PHE 18 HB3 PHE 26 2.625 -2.371 -11.072 188 HD1 PHE 18 HD1 PHE 26 3.060 1.279 -11.674 189 HD2 PHE 18 HD2 PHE 26 3.971 -2.028 -9.058 190 HE1 PHE 18 HE1 PHE 26 3.881 2.837 -9.943 191 HE2 PHE 18 HE2 PHE 26 4.802 -0.437 -7.368 192 HZ PHE 18 HZ PHE 26 4.764 1.980 -7.819 193 H MET 19 H MET 27 4.770 -4.041 -11.467 194 HA MET 19 HA MET 27 7.027 -3.169 -9.998 195 HB2 MET 19 HB2 MET 27 6.065 -5.931 -10.779 196 HB3 MET 19 HB3 MET 27 7.395 -5.598 -9.681 197 HG2 MET 19 HG2 MET 27 4.777 -4.268 -9.040 198 HG3 MET 19 HG3 MET 27 4.896 -5.984 -8.805 199 HE1 MET 19 HE1 MET 27 5.465 -3.503 -5.458 200 HE2 MET 19 HE2 MET 27 5.015 -2.810 -7.017 201 HE3 MET 19 HE3 MET 27 4.144 -4.217 -6.395 202 H LYS 20 H LYS 28 6.765 -4.752 -13.221 203 HA LYS 20 HA LYS 28 9.619 -4.912 -13.637 204 HB2 LYS 20 HB2 LYS 28 7.242 -5.084 -15.534 205 HB3 LYS 20 HB3 LYS 28 8.880 -5.361 -16.041 206 HG2 LYS 20 HG2 LYS 28 7.589 -7.011 -13.820 207 HG3 LYS 20 HG3 LYS 28 7.417 -7.431 -15.488 208 HD2 LYS 20 HD2 LYS 28 10.170 -7.094 -14.204 209 HD3 LYS 20 HD3 LYS 28 9.264 -8.570 -14.049 210 HE2 LYS 20 HE2 LYS 28 9.931 -7.424 -16.791 211 HE3 LYS 20 HE3 LYS 28 11.006 -8.498 -15.917 212 HZ1 LYS 20 HZ1 LYS 28 9.604 -9.703 -17.388 213 HZ2 LYS 20 HZ2 LYS 28 9.319 -10.142 -15.828 214 HZ3 LYS 20 HZ3 LYS 28 8.245 -9.169 -16.617 215 H ALA 21 H ALA 29 7.190 -2.357 -14.085 216 HA ALA 21 HA ALA 29 8.832 -0.724 -15.814 217 HB1 ALA 21 HB1 ALA 29 7.072 0.997 -15.414 218 HB2 ALA 21 HB2 ALA 29 6.402 -0.535 -15.942 219 HB3 ALA 21 HB3 ALA 29 6.292 -0.060 -14.250 220 H ILE 22 H ILE 30 8.252 -0.811 -12.243 221 HA ILE 22 HA ILE 30 10.086 1.421 -11.787 222 HB ILE 22 HB ILE 30 9.902 0.842 -9.390 223 HG12 ILE 22 HG12 ILE 30 7.792 -1.172 -10.131 224 HG13 ILE 22 HG13 ILE 30 9.392 -1.644 -9.670 225 HG21 ILE 22 HG21 ILE 30 7.639 1.710 -9.099 226 HG22 ILE 22 HG22 ILE 30 8.419 2.488 -10.456 227 HG23 ILE 22 HG23 ILE 30 7.210 1.229 -10.739 228 HD11 ILE 22 HD11 ILE 30 7.991 -1.814 -7.688 229 HD12 ILE 22 HD12 ILE 30 8.982 -0.378 -7.440 230 HD13 ILE 22 HD13 ILE 30 7.300 -0.230 -7.941 231 H GLY 23 H GLY 31 10.577 -1.823 -12.612 232 HA2 GLY 23 HA2 GLY 31 12.588 -2.762 -13.127 233 HA3 GLY 23 HA3 GLY 31 13.439 -1.443 -12.354 234 H LEU 24 H LEU 32 10.964 -3.509 -10.689 235 HA LEU 24 HA LEU 32 12.805 -4.272 -8.631 236 HB2 LEU 24 HB2 LEU 32 10.013 -5.303 -9.405 237 HB3 LEU 24 HB3 LEU 32 10.895 -5.958 -8.092 238 HG LEU 24 HG LEU 32 9.236 -3.638 -8.177 239 HD11 LEU 24 HD11 LEU 32 8.811 -4.116 -5.963 240 HD12 LEU 24 HD12 LEU 32 9.443 -5.677 -6.452 241 HD13 LEU 24 HD13 LEU 32 10.467 -4.536 -5.588 242 HD21 LEU 24 HD21 LEU 32 10.568 -2.141 -6.592 243 HD22 LEU 24 HD22 LEU 32 12.005 -2.981 -7.115 244 HD23 LEU 24 HD23 LEU 32 11.059 -2.078 -8.274 245 HA PRO 25 HA PRO 33 14.494 -8.079 -10.322 246 HB2 PRO 25 HB2 PRO 33 14.832 -9.576 -8.031 247 HB3 PRO 25 HB3 PRO 33 15.821 -8.176 -8.414 248 HG2 PRO 25 HG2 PRO 33 13.373 -8.258 -6.642 249 HG3 PRO 25 HG3 PRO 33 14.952 -7.599 -6.222 250 HD2 PRO 25 HD2 PRO 33 12.984 -5.970 -7.095 251 HD3 PRO 25 HD3 PRO 33 14.624 -5.705 -7.688 252 H GLU 26 H GLU 34 13.671 -9.993 -11.138 253 HA GLU 26 HA GLU 34 10.906 -10.363 -11.114 254 HB2 GLU 26 HB2 GLU 34 12.287 -10.903 -13.003 255 HB3 GLU 26 HB3 GLU 34 13.116 -12.162 -12.134 256 HG2 GLU 26 HG2 GLU 34 11.102 -13.566 -12.064 257 HG3 GLU 26 HG3 GLU 34 10.099 -12.251 -12.643 258 H GLU 27 H GLU 35 13.233 -11.728 -8.850 259 HA GLU 27 HA GLU 35 11.557 -13.801 -7.870 260 HB2 GLU 27 HB2 GLU 35 13.922 -13.803 -7.443 261 HB3 GLU 27 HB3 GLU 35 13.839 -12.306 -6.554 262 HG2 GLU 27 HG2 GLU 35 12.576 -13.364 -4.725 263 HG3 GLU 27 HG3 GLU 35 12.303 -14.805 -5.677 264 H LEU 28 H LEU 36 11.840 -10.334 -6.821 265 HA LEU 28 HA LEU 36 9.854 -10.512 -4.781 266 HB2 LEU 28 HB2 LEU 36 11.023 -8.189 -6.358 267 HB3 LEU 28 HB3 LEU 36 9.727 -7.926 -5.238 268 HG LEU 28 HG LEU 36 12.397 -9.110 -4.473 269 HD11 LEU 28 HD11 LEU 36 13.189 -7.025 -4.122 270 HD12 LEU 28 HD12 LEU 36 11.817 -6.414 -5.019 271 HD13 LEU 28 HD13 LEU 36 11.748 -6.487 -3.276 272 HD21 LEU 28 HD21 LEU 36 11.106 -8.224 -2.107 273 HD22 LEU 28 HD22 LEU 36 9.850 -9.059 -2.993 274 HD23 LEU 28 HD23 LEU 36 11.365 -9.876 -2.619 275 H ILE 29 H ILE 37 9.592 -10.167 -8.274 276 HA ILE 29 HA ILE 37 6.830 -9.289 -8.262 277 HB ILE 29 HB ILE 37 8.708 -10.314 -10.402 278 HG12 ILE 29 HG12 ILE 37 7.435 -7.621 -10.365 279 HG13 ILE 29 HG13 ILE 37 8.719 -7.874 -9.227 280 HG21 ILE 29 HG21 ILE 37 7.058 -9.579 -12.126 281 HG22 ILE 29 HG22 ILE 37 6.493 -10.981 -11.247 282 HG23 ILE 29 HG23 ILE 37 5.836 -9.391 -10.876 283 HD11 ILE 29 HD11 ILE 37 9.079 -7.055 -11.852 284 HD12 ILE 29 HD12 ILE 37 10.327 -7.692 -10.798 285 HD13 ILE 29 HD13 ILE 37 9.514 -8.764 -11.919 286 H GLN 30 H GLN 38 8.499 -12.433 -9.062 287 HA GLN 30 HA GLN 38 6.072 -13.828 -9.458 288 HB2 GLN 30 HB2 GLN 38 8.874 -14.862 -8.817 289 HB3 GLN 30 HB3 GLN 38 7.538 -15.894 -9.230 290 HG2 GLN 30 HG2 GLN 38 8.943 -13.904 -11.045 291 HG3 GLN 30 HG3 GLN 38 8.838 -15.623 -11.229 292 HE21 GLN 30 HE21 GLN 38 7.718 -12.734 -12.427 293 HE22 GLN 30 HE22 GLN 38 6.179 -13.229 -13.075 294 H LYS 31 H LYS 39 8.015 -13.494 -6.435 295 HA LYS 31 HA LYS 39 6.175 -15.130 -4.914 296 HB2 LYS 31 HB2 LYS 39 7.466 -14.521 -3.008 297 HB3 LYS 31 HB3 LYS 39 8.559 -14.795 -4.323 298 HG2 LYS 31 HG2 LYS 39 9.508 -12.847 -3.589 299 HG3 LYS 31 HG3 LYS 39 8.315 -12.140 -4.625 300 HD2 LYS 31 HD2 LYS 39 7.563 -10.904 -2.951 301 HD3 LYS 31 HD3 LYS 39 6.921 -12.329 -2.194 302 HE2 LYS 31 HE2 LYS 39 9.793 -11.365 -1.758 303 HE3 LYS 31 HE3 LYS 39 8.452 -10.924 -0.737 304 HZ1 LYS 31 HZ1 LYS 39 9.635 -12.790 0.131 305 HZ2 LYS 31 HZ2 LYS 39 8.104 -13.243 -0.267 306 HZ3 LYS 31 HZ3 LYS 39 9.366 -13.669 -1.241 307 H GLY 32 H GLY 40 6.149 -11.735 -5.930 308 HA2 GLY 32 HA2 GLY 40 4.499 -10.756 -3.769 309 HA3 GLY 32 HA3 GLY 40 4.893 -9.942 -5.265 310 H LYS 33 H LYS 41 3.860 -12.075 -7.058 311 HA LYS 33 HA LYS 41 0.957 -11.649 -6.776 312 HB2 LYS 33 HB2 LYS 41 0.834 -12.471 -9.095 313 HB3 LYS 33 HB3 LYS 41 1.809 -11.063 -8.908 314 HG2 LYS 33 HG2 LYS 41 3.555 -12.017 -9.899 315 HG3 LYS 33 HG3 LYS 41 3.634 -13.286 -8.724 316 HD2 LYS 33 HD2 LYS 41 1.858 -13.342 -11.199 317 HD3 LYS 33 HD3 LYS 41 3.443 -14.055 -11.098 318 HE2 LYS 33 HE2 LYS 41 2.631 -15.558 -9.222 319 HE3 LYS 33 HE3 LYS 41 1.016 -14.895 -9.417 320 HZ1 LYS 33 HZ1 LYS 41 1.290 -16.920 -10.607 321 HZ2 LYS 33 HZ2 LYS 41 1.031 -15.687 -11.674 322 HZ3 LYS 33 HZ3 LYS 41 2.548 -16.304 -11.479 323 H ASP 34 H ASP 42 3.329 -14.295 -6.569 324 HA ASP 34 HA ASP 42 1.382 -16.406 -6.601 325 HB2 ASP 34 HB2 ASP 42 3.737 -16.785 -7.263 326 HB3 ASP 34 HB3 ASP 42 4.265 -16.377 -5.631 327 H ILE 35 H ILE 43 3.302 -14.841 -3.959 328 HA ILE 35 HA ILE 43 1.637 -16.157 -1.902 329 HB ILE 35 HB ILE 43 4.003 -14.271 -1.489 330 HG12 ILE 35 HG12 ILE 43 4.930 -16.046 -2.815 331 HG13 ILE 35 HG13 ILE 43 5.470 -16.205 -1.182 332 HG21 ILE 35 HG21 ILE 43 4.196 -15.357 0.719 333 HG22 ILE 35 HG22 ILE 43 2.678 -14.508 0.527 334 HG23 ILE 35 HG23 ILE 43 2.719 -16.261 0.405 335 HD11 ILE 35 HD11 ILE 43 4.927 -18.423 -2.026 336 HD12 ILE 35 HD12 ILE 43 3.678 -18.036 -0.851 337 HD13 ILE 35 HD13 ILE 43 3.342 -17.915 -2.579 338 H LYS 36 H LYS 44 -0.028 -15.118 -1.007 339 HA LYS 36 HA LYS 44 -0.603 -12.308 -1.440 340 HB2 LYS 36 HB2 LYS 44 -1.979 -14.686 -0.214 341 HB3 LYS 36 HB3 LYS 44 -2.372 -13.148 0.480 342 HG2 LYS 36 HG2 LYS 44 -3.973 -13.653 -1.237 343 HG3 LYS 36 HG3 LYS 44 -3.098 -12.191 -1.574 344 HD2 LYS 36 HD2 LYS 44 -1.677 -13.433 -3.247 345 HD3 LYS 36 HD3 LYS 44 -2.625 -14.867 -2.938 346 HE2 LYS 36 HE2 LYS 44 -4.702 -13.652 -3.692 347 HE3 LYS 36 HE3 LYS 44 -3.753 -12.202 -3.971 348 HZ1 LYS 36 HZ1 LYS 44 -4.088 -13.420 -5.968 349 HZ2 LYS 36 HZ2 LYS 44 -2.480 -13.410 -5.595 350 HZ3 LYS 36 HZ3 LYS 44 -3.377 -14.767 -5.338 351 H GLY 37 H GLY 45 0.721 -10.892 -0.504 352 HA2 GLY 37 HA2 GLY 45 2.021 -11.236 2.060 353 HA3 GLY 37 HA3 GLY 45 1.964 -9.784 1.080 354 H VAL 38 H VAL 46 1.677 -9.814 3.897 355 HA VAL 38 HA VAL 46 -1.193 -9.226 4.419 356 HB VAL 38 HB VAL 46 1.105 -9.549 6.402 357 HG11 VAL 38 HG11 VAL 46 -0.730 -9.885 8.067 358 HG12 VAL 38 HG12 VAL 46 -0.659 -8.252 7.454 359 HG13 VAL 38 HG13 VAL 46 -1.890 -9.369 6.852 360 HG21 VAL 38 HG21 VAL 46 0.127 -11.782 6.921 361 HG22 VAL 38 HG22 VAL 46 -0.976 -11.609 5.560 362 HG23 VAL 38 HG23 VAL 46 0.762 -11.721 5.292 363 H SER 39 H SER 47 -1.760 -7.296 5.471 364 HA SER 39 HA SER 47 0.088 -4.978 5.233 365 HB2 SER 39 HB2 SER 47 -1.475 -5.223 3.243 366 HB3 SER 39 HB3 SER 47 -2.843 -5.193 4.327 367 HG SER 39 HG SER 47 -2.221 -3.093 4.943 368 H GLU 40 H GLU 48 -0.455 -3.243 6.718 369 HA GLU 40 HA GLU 48 -2.565 -3.609 8.649 370 HB2 GLU 40 HB2 GLU 48 -1.114 -5.147 9.694 371 HB3 GLU 40 HB3 GLU 48 0.288 -4.232 9.362 372 HG2 GLU 40 HG2 GLU 48 -0.339 -2.552 11.112 373 HG3 GLU 40 HG3 GLU 48 -1.888 -3.338 11.337 374 H ILE 41 H ILE 49 -3.074 -1.843 9.755 375 HA ILE 41 HA ILE 49 -1.708 0.708 9.046 376 HB ILE 41 HB ILE 49 -4.723 0.208 9.088 377 HG12 ILE 41 HG12 ILE 49 -2.927 0.147 6.674 378 HG13 ILE 41 HG13 ILE 49 -3.944 -1.137 7.228 379 HG21 ILE 41 HG21 ILE 49 -4.801 2.435 7.936 380 HG22 ILE 41 HG22 ILE 49 -3.959 2.580 9.464 381 HG23 ILE 41 HG23 ILE 49 -3.045 2.490 7.960 382 HD11 ILE 41 HD11 ILE 49 -5.231 -0.314 5.473 383 HD12 ILE 41 HD12 ILE 49 -5.937 0.595 6.806 384 HD13 ILE 41 HD13 ILE 49 -4.756 1.357 5.739 385 H VAL 42 H VAL 50 -1.553 2.034 10.826 386 HA VAL 42 HA VAL 50 -3.141 1.445 13.276 387 HB VAL 42 HB VAL 50 -0.100 1.634 13.113 388 HG11 VAL 42 HG11 VAL 50 -0.098 1.254 15.586 389 HG12 VAL 42 HG12 VAL 50 -0.852 2.776 15.180 390 HG13 VAL 42 HG13 VAL 50 -1.854 1.396 15.603 391 HG21 VAL 42 HG21 VAL 50 -0.088 -0.653 14.117 392 HG22 VAL 42 HG22 VAL 50 -1.831 -0.738 13.886 393 HG23 VAL 42 HG23 VAL 50 -0.750 -0.614 12.500 394 H GLN 43 H GLN 51 -4.299 3.298 13.188 395 HA GLN 43 HA GLN 51 -3.085 5.903 12.649 396 HB2 GLN 43 HB2 GLN 51 -5.373 5.223 11.866 397 HB3 GLN 43 HB3 GLN 51 -5.896 5.061 13.510 398 HG2 GLN 43 HG2 GLN 51 -6.717 7.171 12.762 399 HG3 GLN 43 HG3 GLN 51 -5.428 7.573 13.855 400 HE21 GLN 43 HE21 GLN 51 -3.726 8.887 13.030 401 HE22 GLN 43 HE22 GLN 51 -3.579 9.311 11.352 402 H ASN 44 H ASN 52 -2.423 7.355 14.179 403 HA ASN 44 HA ASN 52 -2.919 6.863 17.091 404 HB2 ASN 44 HB2 ASN 52 -0.229 7.586 15.827 405 HB3 ASN 44 HB3 ASN 52 -0.540 7.288 17.517 406 HD21 ASN 44 HD21 ASN 52 0.774 5.957 14.763 407 HD22 ASN 44 HD22 ASN 52 0.662 4.270 15.184 408 H GLY 45 H GLY 53 -4.575 8.588 15.946 409 HA2 GLY 45 HA2 GLY 53 -5.338 10.737 16.243 410 HA3 GLY 45 HA3 GLY 53 -3.887 11.139 17.147 411 H LYS 46 H LYS 54 -2.414 12.479 16.117 412 HA LYS 46 HA LYS 54 -2.728 13.173 13.312 413 HB2 LYS 46 HB2 LYS 54 -1.334 14.297 15.690 414 HB3 LYS 46 HB3 LYS 54 -0.399 14.449 14.243 415 HG2 LYS 46 HG2 LYS 54 -3.285 15.365 14.390 416 HG3 LYS 46 HG3 LYS 54 -1.923 16.400 14.719 417 HD2 LYS 46 HD2 LYS 54 -1.032 16.115 12.454 418 HD3 LYS 46 HD3 LYS 54 -2.229 14.933 12.042 419 HE2 LYS 46 HE2 LYS 54 -2.839 17.858 12.714 420 HE3 LYS 46 HE3 LYS 54 -2.727 17.191 11.096 421 HZ1 LYS 46 HZ1 LYS 54 -4.972 17.313 11.814 422 HZ2 LYS 46 HZ2 LYS 54 -4.543 15.735 11.602 423 HZ3 LYS 46 HZ3 LYS 54 -4.669 16.357 13.123 424 H HIS 47 H HIS 55 -0.536 11.128 15.222 425 HA HIS 47 HA HIS 55 1.264 10.681 12.973 426 HB2 HIS 47 HB2 HIS 55 1.248 10.049 15.847 427 HB3 HIS 47 HB3 HIS 55 1.591 8.611 14.941 428 HD1 HIS 47 HD1 HIS 55 3.385 9.554 12.656 429 HD2 HIS 47 HD2 HIS 55 3.787 10.968 16.613 430 HE1 HIS 47 HE1 HIS 55 5.730 10.423 12.955 431 H PHE 48 H PHE 56 1.574 8.676 11.930 432 HA PHE 48 HA PHE 56 -0.673 6.752 11.885 433 HB2 PHE 48 HB2 PHE 56 -0.890 8.767 10.189 434 HB3 PHE 48 HB3 PHE 56 0.502 8.106 9.405 435 HD1 PHE 48 HD1 PHE 56 0.284 5.488 8.669 436 HD2 PHE 48 HD2 PHE 56 -3.027 8.110 9.548 437 HE1 PHE 48 HE1 PHE 56 -1.225 4.044 7.405 438 HE2 PHE 48 HE2 PHE 56 -4.517 6.623 8.280 439 HZ PHE 48 HZ PHE 56 -3.621 4.618 7.179 440 H LYS 49 H LYS 57 0.127 4.722 11.643 441 HA LYS 49 HA LYS 57 2.868 4.305 10.578 442 HB2 LYS 49 HB2 LYS 57 1.506 3.070 13.005 443 HB3 LYS 49 HB3 LYS 57 2.752 2.212 12.132 444 HG2 LYS 49 HG2 LYS 57 4.361 4.035 12.520 445 HG3 LYS 49 HG3 LYS 57 3.148 4.971 13.346 446 HD2 LYS 49 HD2 LYS 57 4.571 3.926 14.993 447 HD3 LYS 49 HD3 LYS 57 2.974 3.245 15.120 448 HE2 LYS 49 HE2 LYS 57 3.717 1.184 13.903 449 HE3 LYS 49 HE3 LYS 57 5.306 1.891 13.660 450 HZ1 LYS 49 HZ1 LYS 57 5.264 0.410 15.504 451 HZ2 LYS 49 HZ2 LYS 57 5.574 1.941 16.032 452 HZ3 LYS 49 HZ3 LYS 57 4.080 1.281 16.254 453 H PHE 50 H PHE 58 3.170 2.417 9.378 454 HA PHE 50 HA PHE 58 0.822 0.801 8.641 455 HB2 PHE 50 HB2 PHE 58 1.257 2.878 7.027 456 HB3 PHE 50 HB3 PHE 58 2.649 1.989 6.496 457 HD1 PHE 50 HD1 PHE 58 -0.878 2.469 6.076 458 HD2 PHE 50 HD2 PHE 58 2.198 -0.520 5.683 459 HE1 PHE 50 HE1 PHE 58 -2.316 1.164 4.584 460 HE2 PHE 50 HE2 PHE 58 0.706 -1.829 4.223 461 HZ PHE 50 HZ PHE 58 -1.534 -0.962 3.653 462 H THR 51 H THR 59 1.422 -1.325 8.385 463 HA THR 51 HA THR 59 4.331 -2.019 8.374 464 HB THR 51 HB THR 59 2.221 -3.751 9.717 465 HG1 THR 51 HG1 THR 59 2.706 -2.841 11.636 466 HG21 THR 51 HG21 THR 59 4.137 -4.582 11.017 467 HG22 THR 51 HG22 THR 59 4.373 -4.835 9.296 468 HG23 THR 51 HG23 THR 59 5.215 -3.524 10.114 469 H ILE 52 H ILE 60 4.741 -2.734 6.347 470 HA ILE 52 HA ILE 60 2.755 -4.372 4.844 471 HB ILE 52 HB ILE 60 5.446 -3.142 4.057 472 HG12 ILE 52 HG12 ILE 60 2.661 -2.357 3.138 473 HG13 ILE 52 HG13 ILE 60 3.576 -1.512 4.353 474 HG21 ILE 52 HG21 ILE 60 4.843 -3.811 1.673 475 HG22 ILE 52 HG22 ILE 60 5.202 -5.172 2.695 476 HG23 ILE 52 HG23 ILE 60 3.528 -4.776 2.331 477 HD11 ILE 52 HD11 ILE 60 3.992 -0.221 2.450 478 HD12 ILE 52 HD12 ILE 60 5.438 -1.221 2.532 479 HD13 ILE 52 HD13 ILE 60 4.153 -1.610 1.389 480 H THR 53 H THR 61 3.090 -6.570 4.560 481 HA THR 53 HA THR 61 5.747 -7.756 5.265 482 HB THR 53 HB THR 61 2.975 -8.977 5.579 483 HG1 THR 53 HG1 THR 61 3.627 -9.000 7.815 484 HG21 THR 53 HG21 THR 61 4.150 -10.876 6.743 485 HG22 THR 53 HG22 THR 61 4.557 -10.802 5.043 486 HG23 THR 53 HG23 THR 61 5.700 -10.205 6.241 487 H ALA 54 H ALA 62 6.694 -8.686 3.536 488 HA ALA 54 HA ALA 62 5.031 -9.537 1.189 489 HB1 ALA 54 HB1 ALA 62 6.845 -8.934 -0.234 490 HB2 ALA 54 HB2 ALA 62 6.664 -7.564 0.855 491 HB3 ALA 54 HB3 ALA 62 7.962 -8.716 1.093 492 H GLY 55 H GLY 63 4.705 -11.405 2.689 493 HA2 GLY 55 HA2 GLY 63 4.864 -13.662 2.778 494 HA3 GLY 55 HA3 GLY 63 6.306 -13.630 1.790 495 H SER 56 H SER 64 7.931 -11.912 3.618 496 HA SER 56 HA SER 64 8.097 -13.290 6.163 497 HB2 SER 56 HB2 SER 64 10.284 -14.327 5.805 498 HB3 SER 56 HB3 SER 64 9.133 -14.997 4.677 499 HG SER 56 HG SER 64 11.136 -14.457 3.720 500 H LYS 57 H LYS 65 9.801 -11.118 3.843 501 HA LYS 57 HA LYS 65 11.054 -9.559 5.925 502 HB2 LYS 57 HB2 LYS 65 11.576 -7.998 4.050 503 HB3 LYS 57 HB3 LYS 65 12.128 -9.616 3.810 504 HG2 LYS 57 HG2 LYS 65 11.041 -9.837 1.876 505 HG3 LYS 57 HG3 LYS 65 9.509 -9.463 2.584 506 HD2 LYS 57 HD2 LYS 65 11.505 -7.374 1.600 507 HD3 LYS 57 HD3 LYS 65 10.166 -7.978 0.671 508 HE2 LYS 57 HE2 LYS 65 8.637 -7.140 2.643 509 HE3 LYS 57 HE3 LYS 65 10.053 -6.289 3.219 510 HZ1 LYS 57 HZ1 LYS 65 8.685 -4.945 1.821 511 HZ2 LYS 57 HZ2 LYS 65 10.139 -5.192 1.081 512 HZ3 LYS 57 HZ3 LYS 65 8.802 -6.017 0.571 513 H VAL 58 H VAL 66 10.405 -7.639 6.855 514 HA VAL 58 HA VAL 66 7.639 -6.692 6.305 515 HB VAL 58 HB VAL 66 8.989 -7.020 9.026 516 HG11 VAL 58 HG11 VAL 66 6.778 -6.360 9.999 517 HG12 VAL 58 HG12 VAL 66 7.497 -5.041 9.106 518 HG13 VAL 58 HG13 VAL 66 6.194 -5.979 8.385 519 HG21 VAL 58 HG21 VAL 66 7.177 -8.686 9.500 520 HG22 VAL 58 HG22 VAL 66 6.664 -8.581 7.819 521 HG23 VAL 58 HG23 VAL 66 8.253 -9.220 8.225 522 H ILE 59 H ILE 67 7.393 -4.503 6.203 523 HA ILE 59 HA ILE 67 9.707 -2.736 6.877 524 HB ILE 59 HB ILE 67 7.882 -2.597 4.438 525 HG12 ILE 59 HG12 ILE 67 10.869 -3.071 4.767 526 HG13 ILE 59 HG13 ILE 67 9.699 -4.235 4.218 527 HG21 ILE 59 HG21 ILE 67 9.113 -0.523 3.782 528 HG22 ILE 59 HG22 ILE 67 8.277 -0.261 5.277 529 HG23 ILE 59 HG23 ILE 67 10.010 -0.562 5.295 530 HD11 ILE 59 HD11 ILE 67 10.798 -3.478 2.246 531 HD12 ILE 59 HD12 ILE 67 9.262 -2.595 2.217 532 HD13 ILE 59 HD13 ILE 67 10.749 -1.810 2.770 533 H GLN 60 H GLN 68 9.229 -1.260 8.287 534 HA GLN 60 HA GLN 68 6.397 -0.547 8.892 535 HB2 GLN 60 HB2 GLN 68 8.906 -0.364 10.624 536 HB3 GLN 60 HB3 GLN 68 7.293 0.041 11.116 537 HG2 GLN 60 HG2 GLN 68 6.834 -2.104 11.697 538 HG3 GLN 60 HG3 GLN 68 7.196 -2.680 10.098 539 HE21 GLN 60 HE21 GLN 68 9.206 -3.673 9.634 540 HE22 GLN 60 HE22 GLN 68 10.361 -4.030 10.889 541 H ASN 61 H ASN 69 5.824 1.444 8.286 542 HA ASN 61 HA ASN 69 7.871 3.591 8.023 543 HB2 ASN 61 HB2 ASN 69 5.434 2.934 6.264 544 HB3 ASN 61 HB3 ASN 69 6.186 4.508 6.280 545 HD21 ASN 61 HD21 ASN 69 6.152 1.811 4.447 546 HD22 ASN 61 HD22 ASN 69 7.744 1.926 3.749 547 H GLU 62 H GLU 70 7.284 5.576 8.840 548 HA GLU 62 HA GLU 70 4.639 5.910 10.098 549 HB2 GLU 62 HB2 GLU 70 6.245 5.121 11.850 550 HB3 GLU 62 HB3 GLU 70 7.324 6.423 11.452 551 HG2 GLU 62 HG2 GLU 70 5.662 8.111 12.200 552 HG3 GLU 62 HG3 GLU 70 4.467 6.864 12.466 553 H PHE 63 H PHE 71 3.850 7.964 10.036 554 HA PHE 63 HA PHE 71 5.511 10.216 9.349 555 HB2 PHE 63 HB2 PHE 71 4.304 10.860 7.316 556 HB3 PHE 63 HB3 PHE 71 5.016 9.294 7.066 557 HD1 PHE 63 HD1 PHE 71 3.548 7.251 6.962 558 HD2 PHE 63 HD2 PHE 71 1.869 11.193 7.475 559 HE1 PHE 63 HE1 PHE 71 1.305 6.383 6.474 560 HE2 PHE 63 HE2 PHE 71 -0.363 10.282 6.994 561 HZ PHE 63 HZ PHE 71 -0.650 7.912 6.476 562 H THR 64 H THR 72 4.291 12.263 9.435 563 HA THR 64 HA THR 72 1.893 12.137 11.223 564 HB THR 64 HB THR 72 3.965 14.351 10.782 565 HG1 THR 64 HG1 THR 72 4.380 13.914 12.990 566 HG21 THR 64 HG21 THR 72 2.830 15.523 12.696 567 HG22 THR 64 HG22 THR 72 1.779 15.431 11.301 568 HG23 THR 64 HG23 THR 72 1.535 14.328 12.653 569 H VAL 65 H VAL 73 0.006 12.860 10.357 570 HA VAL 65 HA VAL 73 -0.225 13.502 7.587 571 HB VAL 65 HB VAL 73 -2.216 13.782 9.883 572 HG11 VAL 65 HG11 VAL 73 -4.008 13.733 8.105 573 HG12 VAL 65 HG12 VAL 73 -3.070 15.209 8.064 574 HG13 VAL 65 HG13 VAL 73 -2.764 13.939 6.879 575 HG21 VAL 65 HG21 VAL 73 -3.172 11.663 9.111 576 HG22 VAL 65 HG22 VAL 73 -1.993 11.562 7.813 577 HG23 VAL 65 HG23 VAL 73 -1.478 11.425 9.494 578 H GLY 66 H GLY 74 0.270 15.381 6.650 579 HA2 GLY 66 HA2 GLY 74 -0.192 17.720 6.292 580 HA3 GLY 66 HA3 GLY 74 -0.238 18.011 8.014 581 H GLU 67 H GLU 75 2.360 15.916 7.743 582 HA GLU 67 HA GLU 75 4.325 18.030 6.960 583 HB2 GLU 67 HB2 GLU 75 4.484 16.009 9.233 584 HB3 GLU 67 HB3 GLU 75 5.855 16.894 8.631 585 HG2 GLU 67 HG2 GLU 75 4.613 19.069 9.180 586 HG3 GLU 67 HG3 GLU 75 3.356 18.108 9.926 587 H GLU 68 H GLU 76 6.220 17.356 6.057 588 HA GLU 68 HA GLU 76 6.084 15.084 4.271 589 HB2 GLU 68 HB2 GLU 76 8.179 16.016 3.412 590 HB3 GLU 68 HB3 GLU 76 6.942 17.228 3.508 591 HG2 GLU 68 HG2 GLU 76 8.018 17.978 5.766 592 HG3 GLU 68 HG3 GLU 76 9.355 16.924 5.370 593 H CYS 69 H CYS 77 7.024 13.159 4.496 594 HA CYS 69 HA CYS 77 9.096 12.621 6.528 595 HB2 CYS 69 HB2 CYS 77 6.362 11.252 6.377 596 HB3 CYS 69 HB3 CYS 77 7.735 10.503 7.168 597 HG CYS 69 HG CYS 77 8.231 12.392 8.850 598 H GLU 70 H GLU 78 10.178 10.574 6.125 599 HA GLU 70 HA GLU 78 10.325 10.032 3.229 600 HB2 GLU 70 HB2 GLU 78 12.289 10.811 4.600 601 HB3 GLU 70 HB3 GLU 78 12.241 9.296 5.460 602 HG2 GLU 70 HG2 GLU 78 12.635 8.056 3.325 603 HG3 GLU 70 HG3 GLU 78 12.591 9.555 2.426 604 H LEU 71 H LEU 79 9.517 8.269 2.356 605 HA LEU 71 HA LEU 79 8.486 6.037 4.044 606 HB2 LEU 71 HB2 LEU 79 7.637 7.379 1.439 607 HB3 LEU 71 HB3 LEU 79 7.132 5.757 1.767 608 HG LEU 71 HG LEU 79 5.429 7.364 2.305 609 HD11 LEU 71 HD11 LEU 79 4.590 5.911 3.777 610 HD12 LEU 71 HD12 LEU 79 6.177 5.188 3.939 611 HD13 LEU 71 HD13 LEU 79 5.665 6.449 5.056 612 HD21 LEU 71 HD21 LEU 79 5.492 9.120 3.786 613 HD22 LEU 71 HD22 LEU 79 6.771 8.430 4.779 614 HD23 LEU 71 HD23 LEU 79 7.148 9.144 3.219 615 H GLU 72 H GLU 80 9.174 3.997 3.668 616 HA GLU 72 HA GLU 80 11.334 3.559 1.719 617 HB2 GLU 72 HB2 GLU 80 11.682 3.208 4.139 618 HB3 GLU 72 HB3 GLU 80 10.454 1.975 4.155 619 HG2 GLU 72 HG2 GLU 80 11.791 0.542 2.627 620 HG3 GLU 72 HG3 GLU 80 12.987 1.809 2.448 621 H THR 73 H THR 81 11.341 1.877 0.225 622 HA THR 73 HA THR 81 8.743 0.608 -0.485 623 HB THR 73 HB THR 81 9.618 0.410 -2.688 624 HG1 THR 73 HG1 THR 81 11.736 1.023 -3.250 625 HG21 THR 73 HG21 THR 81 10.065 2.661 -3.455 626 HG22 THR 73 HG22 THR 81 8.899 2.738 -2.140 627 HG23 THR 73 HG23 THR 81 10.555 3.186 -1.852 628 H MET 74 H MET 82 9.088 -1.544 -1.738 629 HA MET 74 HA MET 82 9.965 -3.541 -0.040 630 HB2 MET 74 HB2 MET 82 9.632 -3.730 -3.063 631 HB3 MET 74 HB3 MET 82 9.674 -5.081 -1.977 632 HG2 MET 74 HG2 MET 82 7.415 -4.892 -2.240 633 HG3 MET 74 HG3 MET 82 7.580 -3.881 -0.829 634 HE1 MET 74 HE1 MET 82 4.650 -2.373 -3.024 635 HE2 MET 74 HE2 MET 82 5.120 -4.078 -2.971 636 HE3 MET 74 HE3 MET 82 5.085 -3.121 -1.481 637 H THR 75 H THR 83 11.845 -1.930 -2.591 638 HA THR 75 HA THR 83 14.160 -3.731 -2.271 639 HB THR 75 HB THR 83 15.119 -2.167 -4.058 640 HG1 THR 75 HG1 THR 83 13.635 -0.783 -5.068 641 HG21 THR 75 HG21 THR 83 13.843 -3.068 -5.905 642 HG22 THR 75 HG22 THR 83 13.978 -4.319 -4.684 643 HG23 THR 75 HG23 THR 83 12.464 -3.440 -4.855 644 H GLY 76 H GLY 84 12.948 -0.980 -0.649 645 HA2 GLY 76 HA2 GLY 84 13.960 -0.086 1.216 646 HA3 GLY 76 HA3 GLY 84 15.548 -0.582 0.689 647 H GLU 77 H GLU 85 13.664 1.096 -1.773 648 HA GLU 77 HA GLU 85 15.366 3.405 -1.885 649 HB2 GLU 77 HB2 GLU 85 12.573 2.967 -3.048 650 HB3 GLU 77 HB3 GLU 85 13.673 4.215 -3.517 651 HG2 GLU 77 HG2 GLU 85 15.202 2.681 -4.570 652 HG3 GLU 77 HG3 GLU 85 14.454 1.289 -3.842 653 H LYS 78 H LYS 86 15.170 5.364 -0.810 654 HA LYS 78 HA LYS 86 12.822 5.711 1.018 655 HB2 LYS 78 HB2 LYS 86 15.650 6.762 1.416 656 HB3 LYS 78 HB3 LYS 86 14.307 6.779 2.525 657 HG2 LYS 78 HG2 LYS 86 14.399 4.109 2.202 658 HG3 LYS 78 HG3 LYS 86 16.015 4.453 1.661 659 HD2 LYS 78 HD2 LYS 86 16.371 4.022 3.910 660 HD3 LYS 78 HD3 LYS 86 16.296 5.766 3.908 661 HE2 LYS 78 HE2 LYS 86 13.909 5.700 4.655 662 HE3 LYS 78 HE3 LYS 86 13.920 3.946 4.570 663 HZ1 LYS 78 HZ1 LYS 86 14.258 4.698 6.772 664 HZ2 LYS 78 HZ2 LYS 86 15.606 3.909 6.244 665 HZ3 LYS 78 HZ3 LYS 86 15.600 5.559 6.341 666 H VAL 79 H VAL 87 11.496 7.298 0.486 667 HA VAL 79 HA VAL 87 12.440 9.638 -1.084 668 HB VAL 79 HB VAL 87 10.202 9.350 -2.359 669 HG11 VAL 79 HG11 VAL 87 11.224 7.975 -4.112 670 HG12 VAL 79 HG12 VAL 87 12.397 9.105 -3.450 671 HG13 VAL 79 HG13 VAL 87 12.454 7.405 -2.991 672 HG21 VAL 79 HG21 VAL 87 9.321 7.096 -2.696 673 HG22 VAL 79 HG22 VAL 87 10.468 6.412 -1.560 674 HG23 VAL 79 HG23 VAL 87 9.199 7.483 -0.988 675 H LYS 80 H LYS 88 11.714 11.514 -0.392 676 HA LYS 80 HA LYS 88 9.910 11.694 1.847 677 HB2 LYS 80 HB2 LYS 88 11.500 13.706 0.233 678 HB3 LYS 80 HB3 LYS 88 10.332 14.220 1.423 679 HG2 LYS 80 HG2 LYS 88 11.430 12.992 3.218 680 HG3 LYS 80 HG3 LYS 88 12.585 12.298 2.113 681 HD2 LYS 80 HD2 LYS 88 13.526 14.533 1.622 682 HD3 LYS 80 HD3 LYS 88 12.325 15.296 2.636 683 HE2 LYS 80 HE2 LYS 88 13.229 14.148 4.650 684 HE3 LYS 80 HE3 LYS 88 14.364 13.249 3.660 685 HZ1 LYS 80 HZ1 LYS 88 15.393 15.120 4.665 686 HZ2 LYS 80 HZ2 LYS 88 15.387 15.304 3.026 687 HZ3 LYS 80 HZ3 LYS 88 14.328 16.163 3.956 688 H THR 81 H THR 89 7.864 12.314 1.974 689 HA THR 81 HA THR 89 6.394 13.563 -0.177 690 HB THR 81 HB THR 89 6.323 11.228 -1.001 691 HG1 THR 81 HG1 THR 89 3.933 10.927 -0.563 692 HG21 THR 81 HG21 THR 89 5.156 9.425 0.311 693 HG22 THR 81 HG22 THR 89 6.688 9.883 1.039 694 HG23 THR 81 HG23 THR 89 5.162 10.434 1.733 695 H VAL 82 H VAL 90 4.304 14.239 0.495 696 HA VAL 82 HA VAL 90 3.727 14.152 3.429 697 HB VAL 82 HB VAL 90 2.602 15.998 1.262 698 HG11 VAL 82 HG11 VAL 90 1.705 17.332 3.198 699 HG12 VAL 82 HG12 VAL 90 0.976 15.746 3.104 700 HG13 VAL 82 HG13 VAL 90 2.229 16.063 4.298 701 HG21 VAL 82 HG21 VAL 90 3.906 17.827 2.229 702 HG22 VAL 82 HG22 VAL 90 4.624 16.743 3.402 703 HG23 VAL 82 HG23 VAL 90 5.000 16.567 1.689 704 H VAL 83 H VAL 91 1.867 13.113 4.047 705 HA VAL 83 HA VAL 91 0.045 11.984 1.959 706 HB VAL 83 HB VAL 91 0.388 11.205 4.875 707 HG11 VAL 83 HG11 VAL 91 -0.907 9.131 4.202 708 HG12 VAL 83 HG12 VAL 91 -1.850 10.600 4.109 709 HG13 VAL 83 HG13 VAL 91 -1.203 9.876 2.637 710 HG21 VAL 83 HG21 VAL 91 1.522 9.130 4.120 711 HG22 VAL 83 HG22 VAL 91 1.536 9.722 2.473 712 HG23 VAL 83 HG23 VAL 91 2.460 10.550 3.719 713 H GLN 84 H GLN 92 -2.023 12.742 1.914 714 HA GLN 84 HA GLN 92 -3.081 14.331 4.177 715 HB2 GLN 84 HB2 GLN 92 -2.724 15.132 1.263 716 HB3 GLN 84 HB3 GLN 92 -4.131 15.720 2.086 717 HG2 GLN 84 HG2 GLN 92 -1.276 16.201 3.056 718 HG3 GLN 84 HG3 GLN 92 -2.248 17.342 2.162 719 HE21 GLN 84 HE21 GLN 92 -1.561 16.061 5.306 720 HE22 GLN 84 HE22 GLN 92 -2.757 16.977 6.188 721 H LEU 85 H LEU 93 -5.244 14.463 4.463 722 HA LEU 85 HA LEU 93 -6.746 12.151 3.379 723 HB2 LEU 85 HB2 LEU 93 -5.971 12.405 5.835 724 HB3 LEU 85 HB3 LEU 93 -7.172 13.625 6.040 725 HG LEU 85 HG LEU 93 -7.885 10.849 4.966 726 HD11 LEU 85 HD11 LEU 93 -8.431 10.480 7.606 727 HD12 LEU 85 HD12 LEU 93 -6.934 9.993 6.848 728 HD13 LEU 85 HD13 LEU 93 -7.012 11.500 7.746 729 HD21 LEU 85 HD21 LEU 93 -9.934 11.789 6.702 730 HD22 LEU 85 HD22 LEU 93 -9.464 13.165 5.739 731 HD23 LEU 85 HD23 LEU 93 -9.964 11.664 4.955 732 H GLU 86 H GLU 94 -8.556 12.543 2.221 733 HA GLU 86 HA GLU 94 -9.386 15.309 1.712 734 HB2 GLU 86 HB2 GLU 94 -10.522 14.328 -0.229 735 HB3 GLU 86 HB3 GLU 94 -8.838 13.923 -0.172 736 HG2 GLU 86 HG2 GLU 94 -9.387 11.652 0.720 737 HG3 GLU 86 HG3 GLU 94 -11.095 12.032 0.684 738 H GLY 87 H GLY 95 -10.251 13.530 4.183 739 HA2 GLY 87 HA2 GLY 95 -11.991 13.776 5.655 740 HA3 GLY 87 HA3 GLY 95 -12.904 14.697 4.479 741 H ASP 88 H ASP 96 -11.957 11.906 2.867 742 HA ASP 88 HA ASP 96 -14.552 10.535 3.387 743 HB2 ASP 88 HB2 ASP 96 -13.124 10.822 0.732 744 HB3 ASP 88 HB3 ASP 96 -14.715 10.126 0.979 745 H ASN 89 H ASN 97 -12.232 9.768 4.813 746 HA ASN 89 HA ASN 97 -10.928 8.146 5.324 747 HB2 ASN 89 HB2 ASN 97 -12.065 5.673 4.982 748 HB3 ASN 89 HB3 ASN 97 -12.459 6.826 6.187 749 HD21 ASN 89 HD21 ASN 97 -13.711 5.295 3.282 750 HD22 ASN 89 HD22 ASN 97 -15.330 5.920 3.457 751 H LYS 90 H LYS 98 -9.922 9.207 3.127 752 HA LYS 90 HA LYS 98 -8.575 7.007 1.654 753 HB2 LYS 90 HB2 LYS 98 -9.916 9.529 0.605 754 HB3 LYS 90 HB3 LYS 98 -8.811 8.630 -0.381 755 HG2 LYS 90 HG2 LYS 98 -10.316 6.870 -0.741 756 HG3 LYS 90 HG3 LYS 98 -11.233 7.168 0.703 757 HD2 LYS 90 HD2 LYS 98 -11.916 9.431 -0.380 758 HD3 LYS 90 HD3 LYS 98 -11.222 8.840 -1.848 759 HE2 LYS 90 HE2 LYS 98 -13.412 7.265 -0.394 760 HE3 LYS 90 HE3 LYS 98 -13.783 8.588 -1.481 761 HZ1 LYS 90 HZ1 LYS 98 -13.816 6.521 -2.615 762 HZ2 LYS 90 HZ2 LYS 98 -12.624 7.491 -3.224 763 HZ3 LYS 90 HZ3 LYS 98 -12.251 6.223 -2.237 764 H LEU 91 H LEU 99 -6.403 7.465 1.223 765 HA LEU 91 HA LEU 99 -5.317 10.075 2.172 766 HB2 LEU 91 HB2 LEU 99 -4.216 7.263 2.594 767 HB3 LEU 91 HB3 LEU 99 -3.231 8.680 2.752 768 HG LEU 91 HG LEU 99 -5.726 8.122 4.397 769 HD11 LEU 91 HD11 LEU 99 -3.730 8.060 6.231 770 HD12 LEU 91 HD12 LEU 99 -4.285 6.631 5.379 771 HD13 LEU 91 HD13 LEU 99 -2.834 7.479 4.849 772 HD21 LEU 91 HD21 LEU 99 -4.280 10.109 5.752 773 HD22 LEU 91 HD22 LEU 99 -4.119 10.585 4.076 774 HD23 LEU 91 HD23 LEU 99 -5.705 10.335 4.759 775 H VAL 92 H VAL 100 -4.461 11.207 0.626 776 HA VAL 92 HA VAL 100 -3.491 9.931 -1.885 777 HB VAL 92 HB VAL 100 -4.234 12.817 -1.200 778 HG11 VAL 92 HG11 VAL 100 -4.080 13.242 -3.675 779 HG12 VAL 92 HG12 VAL 100 -2.520 12.900 -2.962 780 HG13 VAL 92 HG13 VAL 100 -3.357 11.651 -3.884 781 HG21 VAL 92 HG21 VAL 100 -6.175 12.468 -2.728 782 HG22 VAL 92 HG22 VAL 100 -5.747 10.767 -2.880 783 HG23 VAL 92 HG23 VAL 100 -6.258 11.422 -1.328 784 H THR 93 H THR 101 -1.344 10.016 -2.387 785 HA THR 93 HA THR 101 0.502 11.849 -1.056 786 HB THR 93 HB THR 101 0.385 10.103 0.598 787 HG1 THR 93 HG1 THR 101 2.533 9.263 0.465 788 HG21 THR 93 HG21 THR 101 0.903 7.743 0.248 789 HG22 THR 93 HG22 THR 101 -0.463 8.152 -0.771 790 HG23 THR 93 HG23 THR 101 1.151 7.994 -1.470 791 H THR 94 H THR 102 2.269 12.316 -2.267 792 HA THR 94 HA THR 102 2.723 10.871 -4.826 793 HB THR 94 HB THR 102 2.981 13.166 -5.899 794 HG1 THR 94 HG1 THR 102 3.134 14.347 -3.963 795 HG21 THR 94 HG21 THR 102 0.558 13.661 -6.199 796 HG22 THR 94 HG22 THR 102 0.931 11.965 -6.406 797 HG23 THR 94 HG23 THR 102 0.159 12.520 -4.919 798 H PHE 95 H PHE 103 4.783 10.480 -5.156 799 HA PHE 95 HA PHE 103 6.834 11.551 -3.349 800 HB2 PHE 95 HB2 PHE 103 7.059 9.385 -5.502 801 HB3 PHE 95 HB3 PHE 103 8.181 9.706 -4.209 802 HD1 PHE 95 HD1 PHE 103 4.851 8.338 -5.090 803 HD2 PHE 95 HD2 PHE 103 7.631 8.998 -1.865 804 HE1 PHE 95 HE1 PHE 103 3.539 6.848 -3.647 805 HE2 PHE 95 HE2 PHE 103 6.317 7.459 -0.459 806 HZ PHE 95 HZ PHE 103 4.268 6.418 -1.332 807 H LYS 96 H LYS 104 6.531 10.983 -6.900 808 HA LYS 96 HA LYS 104 8.029 13.447 -7.537 809 HB2 LYS 96 HB2 LYS 104 8.873 10.680 -8.561 810 HB3 LYS 96 HB3 LYS 104 9.562 12.216 -9.013 811 HG2 LYS 96 HG2 LYS 104 10.245 12.476 -6.520 812 HG3 LYS 96 HG3 LYS 104 9.707 10.839 -6.296 813 HD2 LYS 96 HD2 LYS 104 11.802 10.204 -6.777 814 HD3 LYS 96 HD3 LYS 104 11.382 10.455 -8.442 815 HE2 LYS 96 HE2 LYS 104 12.757 12.501 -6.625 816 HE3 LYS 96 HE3 LYS 104 13.525 11.566 -7.893 817 HZ1 LYS 96 HZ1 LYS 104 13.004 13.760 -8.613 818 HZ2 LYS 96 HZ2 LYS 104 12.130 12.669 -9.487 819 HZ3 LYS 96 HZ3 LYS 104 11.399 13.546 -8.296 820 H ASN 97 H ASN 105 6.974 10.469 -9.232 821 HA ASN 97 HA ASN 105 5.024 12.014 -10.902 822 HB2 ASN 97 HB2 ASN 105 7.215 11.296 -12.051 823 HB3 ASN 97 HB3 ASN 105 6.794 9.636 -11.721 824 HD21 ASN 97 HD21 ASN 105 6.362 8.816 -13.764 825 HD22 ASN 97 HD22 ASN 105 5.272 9.543 -14.915 826 H ILE 98 H ILE 106 5.626 9.278 -8.796 827 HA ILE 98 HA ILE 106 3.370 7.698 -9.671 828 HB ILE 98 HB ILE 106 4.946 7.502 -7.064 829 HG12 ILE 98 HG12 ILE 106 5.949 5.450 -8.493 830 HG13 ILE 98 HG13 ILE 106 5.640 6.531 -9.810 831 HG21 ILE 98 HG21 ILE 106 4.172 5.153 -7.041 832 HG22 ILE 98 HG22 ILE 106 2.808 6.240 -6.975 833 HG23 ILE 98 HG23 ILE 106 3.209 5.433 -8.489 834 HD11 ILE 98 HD11 ILE 106 7.975 6.688 -8.859 835 HD12 ILE 98 HD12 ILE 106 7.158 8.238 -8.787 836 HD13 ILE 98 HD13 ILE 106 7.309 7.253 -7.333 837 H LYS 99 H LYS 107 1.309 8.107 -9.135 838 HA LYS 99 HA LYS 107 0.641 9.890 -6.842 839 HB2 LYS 99 HB2 LYS 107 0.287 10.687 -9.172 840 HB3 LYS 99 HB3 LYS 107 -0.799 9.367 -9.488 841 HG2 LYS 99 HG2 LYS 107 -2.344 10.230 -7.699 842 HG3 LYS 99 HG3 LYS 107 -1.237 11.527 -7.356 843 HD2 LYS 99 HD2 LYS 107 -2.695 11.082 -10.003 844 HD3 LYS 99 HD3 LYS 107 -3.140 12.242 -8.783 845 HE2 LYS 99 HE2 LYS 107 -0.925 13.434 -9.136 846 HE3 LYS 99 HE3 LYS 107 -0.547 12.309 -10.431 847 HZ1 LYS 99 HZ1 LYS 107 -1.478 14.297 -11.268 848 HZ2 LYS 99 HZ2 LYS 107 -2.493 13.036 -11.584 849 HZ3 LYS 99 HZ3 LYS 107 -2.853 14.105 -10.381 850 H SER 100 H SER 108 0.473 8.467 -5.219 851 HA SER 100 HA SER 108 -1.058 5.963 -5.496 852 HB2 SER 100 HB2 SER 108 1.209 5.849 -4.600 853 HB3 SER 100 HB3 SER 108 0.863 7.068 -3.406 854 HG SER 100 HG SER 108 0.752 4.951 -2.573 855 H VAL 101 H VAL 109 -3.169 6.079 -5.155 856 HA VAL 101 HA VAL 109 -4.291 7.901 -3.068 857 HB VAL 101 HB VAL 109 -5.557 6.746 -5.596 858 HG11 VAL 101 HG11 VAL 109 -7.540 8.187 -5.027 859 HG12 VAL 101 HG12 VAL 109 -7.325 6.880 -3.884 860 HG13 VAL 101 HG13 VAL 109 -6.829 8.514 -3.450 861 HG21 VAL 101 HG21 VAL 109 -5.723 9.117 -6.342 862 HG22 VAL 101 HG22 VAL 109 -4.804 9.625 -4.927 863 HG23 VAL 101 HG23 VAL 109 -4.056 8.608 -6.155 864 H THR 102 H THR 110 -4.784 6.834 -1.300 865 HA THR 102 HA THR 110 -5.431 3.943 -1.260 866 HB THR 102 HB THR 110 -5.060 5.994 0.983 867 HG1 THR 102 HG1 THR 110 -3.189 5.737 -0.169 868 HG21 THR 102 HG21 THR 110 -4.661 4.063 2.494 869 HG22 THR 102 HG22 THR 110 -6.283 4.032 1.884 870 HG23 THR 102 HG23 THR 110 -5.079 2.943 1.197 871 H GLU 103 H GLU 111 -7.364 3.194 -0.297 872 HA GLU 103 HA GLU 111 -9.435 5.066 0.586 873 HB2 GLU 103 HB2 GLU 111 -9.911 4.850 -1.796 874 HB3 GLU 103 HB3 GLU 111 -9.691 3.133 -1.750 875 HG2 GLU 103 HG2 GLU 111 -11.763 2.867 -0.367 876 HG3 GLU 103 HG3 GLU 111 -11.940 4.608 -0.280 877 H LEU 104 H LEU 112 -10.663 4.269 2.171 878 HA LEU 104 HA LEU 112 -10.459 1.404 2.984 879 HB2 LEU 104 HB2 LEU 112 -9.216 2.657 4.612 880 HB3 LEU 104 HB3 LEU 112 -10.308 3.998 4.544 881 HG LEU 104 HG LEU 112 -12.077 2.681 5.687 882 HD11 LEU 104 HD11 LEU 112 -11.561 0.623 6.844 883 HD12 LEU 104 HD12 LEU 112 -11.281 0.357 5.129 884 HD13 LEU 104 HD13 LEU 112 -9.921 0.606 6.233 885 HD21 LEU 104 HD21 LEU 112 -10.161 2.468 7.776 886 HD22 LEU 104 HD22 LEU 112 -9.748 3.891 6.829 887 HD23 LEU 104 HD23 LEU 112 -11.355 3.721 7.519 888 H ASN 105 H ASN 113 -12.382 0.424 2.878 889 HA ASN 105 HA ASN 113 -14.895 1.930 3.262 890 HB2 ASN 105 HB2 ASN 113 -14.112 0.107 0.922 891 HB3 ASN 105 HB3 ASN 113 -15.754 0.096 1.487 892 HD21 ASN 105 HD21 ASN 113 -13.648 3.030 1.184 893 HD22 ASN 105 HD22 ASN 113 -14.665 3.762 -0.030 894 H GLY 106 H GLY 114 -14.791 1.120 5.430 895 HA2 GLY 106 HA2 GLY 114 -15.413 -0.301 7.111 896 HA3 GLY 106 HA3 GLY 114 -16.135 -1.335 5.896 897 H ASP 107 H ASP 115 -15.256 -3.320 5.710 898 HA ASP 107 HA ASP 115 -12.639 -3.961 6.877 899 HB2 ASP 107 HB2 ASP 115 -14.884 -5.748 5.882 900 HB3 ASP 107 HB3 ASP 115 -13.341 -6.352 6.434 901 H ILE 108 H ILE 116 -13.379 -2.735 3.909 902 HA ILE 108 HA ILE 116 -11.411 -4.494 2.484 903 HB ILE 108 HB ILE 116 -13.554 -2.671 1.306 904 HG12 ILE 108 HG12 ILE 116 -14.750 -4.465 2.358 905 HG13 ILE 108 HG13 ILE 116 -14.814 -4.648 0.641 906 HG21 ILE 108 HG21 ILE 116 -13.061 -3.854 -0.846 907 HG22 ILE 108 HG22 ILE 116 -11.706 -2.910 -0.277 908 HG23 ILE 108 HG23 ILE 116 -11.695 -4.656 -0.078 909 HD11 ILE 108 HD11 ILE 116 -14.466 -6.844 1.673 910 HD12 ILE 108 HD12 ILE 116 -12.996 -6.440 0.797 911 HD13 ILE 108 HD13 ILE 116 -13.054 -6.279 2.549 912 H ILE 109 H ILE 117 -9.560 -3.569 1.835 913 HA ILE 109 HA ILE 117 -9.294 -0.586 1.794 914 HB ILE 109 HB ILE 117 -7.109 -2.712 1.858 915 HG12 ILE 109 HG12 ILE 117 -8.084 -2.710 3.995 916 HG13 ILE 109 HG13 ILE 117 -6.538 -1.936 4.121 917 HG21 ILE 109 HG21 ILE 117 -5.518 -0.813 2.248 918 HG22 ILE 109 HG22 ILE 117 -6.241 -0.768 0.658 919 HG23 ILE 109 HG23 ILE 117 -6.816 0.324 1.909 920 HD11 ILE 109 HD11 ILE 117 -7.824 -0.429 5.378 921 HD12 ILE 109 HD12 ILE 117 -8.125 0.307 3.814 922 HD13 ILE 109 HD13 ILE 117 -9.296 -0.815 4.494 923 H THR 110 H THR 118 -8.906 0.312 -0.140 924 HA THR 110 HA THR 118 -8.171 -1.379 -2.494 925 HB THR 110 HB THR 118 -10.103 0.997 -2.321 926 HG1 THR 110 HG1 THR 118 -11.493 -0.538 -3.285 927 HG21 THR 110 HG21 THR 118 -10.424 0.719 -4.803 928 HG22 THR 110 HG22 THR 118 -8.824 1.320 -4.426 929 HG23 THR 110 HG23 THR 118 -9.046 -0.378 -4.850 930 H ASN 111 H ASN 119 -6.396 -0.585 -3.585 931 HA ASN 111 HA ASN 119 -5.480 2.206 -3.077 932 HB2 ASN 111 HB2 ASN 119 -4.226 0.146 -1.755 933 HB3 ASN 111 HB3 ASN 119 -3.392 -0.006 -3.273 934 HD21 ASN 111 HD21 ASN 119 -3.745 1.722 -0.305 935 HD22 ASN 111 HD22 ASN 119 -2.654 3.041 -0.617 936 H THR 112 H THR 120 -4.878 3.253 -4.815 937 HA THR 112 HA THR 120 -4.405 1.752 -7.338 938 HB THR 112 HB THR 120 -6.169 4.234 -7.025 939 HG1 THR 112 HG1 THR 120 -7.176 2.313 -6.455 940 HG21 THR 112 HG21 THR 120 -6.635 3.916 -9.484 941 HG22 THR 112 HG22 THR 120 -4.962 4.360 -9.210 942 HG23 THR 112 HG23 THR 120 -5.379 2.685 -9.558 943 H MET 113 H MET 121 -2.423 2.200 -7.944 944 HA MET 113 HA MET 121 -1.168 4.852 -7.395 945 HB2 MET 113 HB2 MET 121 0.106 2.140 -7.974 946 HB3 MET 113 HB3 MET 121 0.962 3.634 -7.722 947 HG2 MET 113 HG2 MET 121 0.100 3.750 -5.378 948 HG3 MET 113 HG3 MET 121 -0.813 2.288 -5.622 949 HE1 MET 113 HE1 MET 121 3.792 2.473 -5.286 950 HE2 MET 113 HE2 MET 121 2.976 3.164 -6.690 951 HE3 MET 113 HE3 MET 121 2.720 3.866 -5.081 952 H THR 114 H THR 122 -0.377 6.010 -9.116 953 HA THR 114 HA THR 122 -0.630 4.877 -11.873 954 HB THR 114 HB THR 122 -1.552 7.610 -10.856 955 HG1 THR 114 HG1 THR 122 -3.519 6.840 -11.795 956 HG21 THR 114 HG21 THR 122 -2.313 8.026 -13.229 957 HG22 THR 114 HG22 THR 122 -0.568 8.010 -13.095 958 HG23 THR 114 HG23 THR 122 -1.406 6.610 -13.751 959 H LEU 115 H LEU 123 1.408 4.691 -12.524 960 HA LEU 115 HA LEU 123 3.320 6.954 -12.170 961 HB2 LEU 115 HB2 LEU 123 4.107 5.131 -10.795 962 HB3 LEU 115 HB3 LEU 123 3.713 3.946 -12.001 963 HG LEU 115 HG LEU 123 5.519 4.624 -13.448 964 HD11 LEU 115 HD11 LEU 123 6.443 6.665 -13.469 965 HD12 LEU 115 HD12 LEU 123 5.574 7.149 -12.026 966 HD13 LEU 115 HD13 LEU 123 7.149 6.393 -11.887 967 HD21 LEU 115 HD21 LEU 123 7.295 3.690 -12.272 968 HD22 LEU 115 HD22 LEU 123 6.766 4.339 -10.719 969 HD23 LEU 115 HD23 LEU 123 5.867 3.035 -11.488 970 H GLY 116 H GLY 124 3.385 7.945 -14.086 971 HA2 GLY 116 HA2 GLY 124 3.668 8.334 -16.312 972 HA3 GLY 116 HA3 GLY 124 4.417 6.749 -16.430 973 H ASP 117 H ASP 125 3.388 5.386 -17.798 974 HA ASP 117 HA ASP 125 0.549 5.780 -18.510 975 HB2 ASP 117 HB2 ASP 125 2.877 5.343 -20.096 976 HB3 ASP 117 HB3 ASP 125 2.143 3.775 -20.046 977 H ILE 118 H ILE 126 1.999 4.033 -16.125 978 HA ILE 118 HA ILE 126 0.340 1.581 -16.582 979 HB ILE 118 HB ILE 126 2.608 1.869 -14.555 980 HG12 ILE 118 HG12 ILE 126 3.801 0.269 -16.334 981 HG13 ILE 118 HG13 ILE 126 2.827 1.127 -17.484 982 HG21 ILE 118 HG21 ILE 126 2.542 -0.639 -14.673 983 HG22 ILE 118 HG22 ILE 126 1.043 0.028 -14.082 984 HG23 ILE 118 HG23 ILE 126 1.163 -0.548 -15.743 985 HD11 ILE 118 HD11 ILE 126 5.238 1.994 -16.997 986 HD12 ILE 118 HD12 ILE 126 3.988 3.224 -16.978 987 HD13 ILE 118 HD13 ILE 126 4.629 2.590 -15.463 988 H VAL 119 H VAL 127 -1.263 1.113 -15.131 989 HA VAL 119 HA VAL 127 -1.544 2.803 -12.680 990 HB VAL 119 HB VAL 127 -3.787 1.872 -14.526 991 HG11 VAL 119 HG11 VAL 127 -5.251 3.304 -13.083 992 HG12 VAL 119 HG12 VAL 127 -4.573 1.978 -12.167 993 HG13 VAL 119 HG13 VAL 127 -3.897 3.589 -11.996 994 HG21 VAL 119 HG21 VAL 127 -4.144 4.288 -15.012 995 HG22 VAL 119 HG22 VAL 127 -2.674 4.676 -14.125 996 HG23 VAL 119 HG23 VAL 127 -2.593 3.729 -15.608 997 H PHE 120 H PHE 128 -0.768 1.335 -11.250 998 HA PHE 120 HA PHE 128 -1.602 -1.446 -11.134 999 HB2 PHE 120 HB2 PHE 128 0.614 -0.934 -10.513 1000 HB3 PHE 120 HB3 PHE 128 0.156 0.387 -9.491 1001 HD1 PHE 120 HD1 PHE 128 0.759 -0.060 -7.284 1002 HD2 PHE 120 HD2 PHE 128 -0.758 -3.298 -9.680 1003 HE1 PHE 120 HE1 PHE 128 0.987 -1.598 -5.373 1004 HE2 PHE 120 HE2 PHE 128 -0.562 -4.796 -7.744 1005 HZ PHE 120 HZ PHE 128 0.333 -3.966 -5.609 1006 H LYS 121 H LYS 129 -3.277 -2.294 -10.019 1007 HA LYS 121 HA LYS 129 -4.589 -0.692 -7.866 1008 HB2 LYS 121 HB2 LYS 129 -5.817 -2.776 -9.746 1009 HB3 LYS 121 HB3 LYS 129 -6.517 -2.324 -8.233 1010 HG2 LYS 121 HG2 LYS 129 -7.717 -1.052 -9.648 1011 HG3 LYS 121 HG3 LYS 129 -6.601 0.089 -8.962 1012 HD2 LYS 121 HD2 LYS 129 -5.253 0.147 -10.970 1013 HD3 LYS 121 HD3 LYS 129 -6.041 -1.247 -11.651 1014 HE2 LYS 121 HE2 LYS 129 -7.394 1.461 -11.136 1015 HE3 LYS 121 HE3 LYS 129 -6.803 0.905 -12.692 1016 HZ1 LYS 121 HZ1 LYS 129 -9.126 0.507 -12.479 1017 HZ2 LYS 121 HZ2 LYS 129 -8.327 -0.934 -12.571 1018 HZ3 LYS 121 HZ3 LYS 129 -8.904 -0.409 -11.125 1019 H ARG 122 H ARG 130 -5.101 -1.797 -5.985 1020 HA ARG 122 HA ARG 130 -4.412 -4.611 -5.644 1021 HB2 ARG 122 HB2 ARG 130 -2.270 -3.312 -5.224 1022 HB3 ARG 122 HB3 ARG 130 -3.092 -2.402 -3.986 1023 HG2 ARG 122 HG2 ARG 130 -3.489 -4.633 -2.727 1024 HG3 ARG 122 HG3 ARG 130 -2.636 -5.380 -4.050 1025 HD2 ARG 122 HD2 ARG 130 -0.576 -4.532 -3.494 1026 HD3 ARG 122 HD3 ARG 130 -1.152 -3.184 -2.546 1027 HE ARG 122 HE ARG 130 -0.572 -5.953 -1.870 1028 HH11 ARG 122 HH11 ARG 130 -2.633 -3.232 -0.825 1029 HH12 ARG 122 HH12 ARG 130 -3.065 -3.979 0.692 1030 HH21 ARG 122 HH21 ARG 130 -1.072 -6.851 0.181 1031 HH22 ARG 122 HH22 ARG 130 -2.150 -6.023 1.278 1032 H ILE 123 H ILE 131 -5.705 -5.579 -4.149 1033 HA ILE 123 HA ILE 131 -7.522 -3.893 -2.496 1034 HB ILE 123 HB ILE 131 -8.263 -6.437 -4.035 1035 HG12 ILE 123 HG12 ILE 131 -10.002 -4.600 -5.012 1036 HG13 ILE 123 HG13 ILE 131 -8.686 -3.522 -4.702 1037 HG21 ILE 123 HG21 ILE 131 -10.598 -5.970 -3.268 1038 HG22 ILE 123 HG22 ILE 131 -9.549 -6.312 -1.921 1039 HG23 ILE 123 HG23 ILE 131 -10.005 -4.646 -2.271 1040 HD11 ILE 123 HD11 ILE 131 -8.491 -4.290 -7.001 1041 HD12 ILE 123 HD12 ILE 131 -7.232 -5.179 -6.162 1042 HD13 ILE 123 HD13 ILE 131 -8.750 -5.971 -6.548 1043 H SER 124 H SER 132 -7.782 -4.586 -0.442 1044 HA SER 124 HA SER 132 -6.864 -7.279 0.378 1045 HB2 SER 124 HB2 SER 132 -6.107 -4.603 1.692 1046 HB3 SER 124 HB3 SER 132 -5.955 -6.151 2.496 1047 HG SER 124 HG SER 132 -4.567 -6.839 0.901 1048 H LYS 125 H LYS 133 -7.804 -7.958 2.454 1049 HA LYS 125 HA LYS 133 -10.259 -6.542 3.271 1050 HB2 LYS 125 HB2 LYS 133 -10.962 -8.175 1.619 1051 HB3 LYS 125 HB3 LYS 133 -10.120 -9.468 2.425 1052 HG2 LYS 125 HG2 LYS 133 -12.222 -7.984 4.000 1053 HG3 LYS 125 HG3 LYS 133 -12.772 -8.977 2.688 1054 HD2 LYS 125 HD2 LYS 133 -11.794 -10.980 3.611 1055 HD3 LYS 125 HD3 LYS 133 -10.928 -10.116 4.835 1056 HE2 LYS 125 HE2 LYS 133 -13.990 -10.303 4.644 1057 HE3 LYS 125 HE3 LYS 133 -12.982 -11.270 5.706 1058 HZ1 LYS 125 HZ1 LYS 133 -13.900 -9.428 6.863 1059 HZ2 LYS 125 HZ2 LYS 133 -12.259 -9.278 6.784 1060 HZ3 LYS 125 HZ3 LYS 133 -13.224 -8.351 5.817 1061 H ARG 126 H ARG 134 -10.807 -6.758 5.401 1062 HA ARG 126 HA ARG 134 -8.701 -6.888 7.160 1063 HB2 ARG 126 HB2 ARG 134 -10.697 -5.503 7.351 1064 HB3 ARG 126 HB3 ARG 134 -11.684 -6.868 7.774 1065 HG2 ARG 126 HG2 ARG 134 -10.923 -6.990 9.901 1066 HG3 ARG 126 HG3 ARG 134 -9.298 -6.513 9.575 1067 HD2 ARG 126 HD2 ARG 134 -9.964 -4.560 10.708 1068 HD3 ARG 126 HD3 ARG 134 -10.343 -4.148 9.079 1069 HE ARG 126 HE ARG 134 -12.568 -4.326 9.257 1070 HH11 ARG 126 HH11 ARG 134 -11.081 -5.340 12.328 1071 HH12 ARG 126 HH12 ARG 134 -12.589 -5.286 13.201 1072 HH21 ARG 126 HH21 ARG 134 -14.490 -4.288 10.391 1073 HH22 ARG 126 HH22 ARG 134 -14.542 -4.610 12.110 1074 H ILE 127 H ILE 135 -7.944 -8.224 8.742 1075 HA ILE 127 HA ILE 135 -8.502 -11.084 8.399 1076 HB ILE 127 HB ILE 135 -6.407 -9.788 10.194 1077 HG12 ILE 127 HG12 ILE 135 -6.048 -10.624 7.302 1078 HG13 ILE 127 HG13 ILE 135 -6.096 -8.984 7.856 1079 HG21 ILE 127 HG21 ILE 135 -5.256 -12.005 9.991 1080 HG22 ILE 127 HG22 ILE 135 -6.854 -12.210 10.654 1081 HG23 ILE 127 HG23 ILE 135 -6.554 -12.591 8.963 1082 HD11 ILE 127 HD11 ILE 135 -3.859 -9.047 8.112 1083 HD12 ILE 127 HD12 ILE 135 -4.054 -10.172 9.438 1084 HD13 ILE 127 HD13 ILE 135 -3.815 -10.780 7.806 1085 H2 2VN 201 H152 DRG 176 1.481 3.467 2.636 1086 H1 2VN 201 H151 DRG 176 1.519 5.068 1.964 1087 H18 2VN 201 H212 DRG 176 2.222 0.730 -1.937 1088 H17 2VN 201 H211 DRG 176 2.145 2.296 -2.687 1089 H20 2VN 201 H222 DRG 176 2.713 3.465 -0.671 1090 H19 2VN 201 H221 DRG 176 2.379 2.093 0.345 1091 H22 2VN 201 H232 DRG 176 4.801 2.365 0.136 1092 H21 2VN 201 H231 DRG 176 4.259 0.837 -0.480 1093 H23 2VN 201 H24 DRG 176 4.308 1.812 -2.826 1094 H24 2VN 201 H251 DRG 176 6.083 0.324 -1.968 1095 H25 2VN 201 H252 DRG 176 6.981 1.733 -1.472 1096 H26 2VN 201 H261 DRG 176 6.190 0.878 -4.295 1097 H27 2VN 201 H262 DRG 176 7.791 1.115 -3.698 1098 H28 2VN 201 H271 DRG 176 6.001 3.020 -4.987 1099 H29 2VN 201 H272 DRG 176 7.695 3.201 -4.673 1100 H31 2VN 201 H282 DRG 176 7.261 4.158 -2.467 1101 H30 2VN 201 H281 DRG 176 6.290 5.010 -3.618 1102 H32 2VN 201 H291 DRG 176 5.245 4.239 -1.345 1103 H33 2VN 201 H292 DRG 176 4.272 4.099 -2.779 1104 H35 2VN 201 H112 DRG 176 1.108 -0.598 1.573 1105 H34 2VN 201 H111 DRG 176 2.149 -0.381 0.205 1106 H3 2VN 201 H14 DRG 176 -0.686 5.062 1.301 1107 HK6 2VN 201 H7 DRG 176 2.655 -2.222 -1.333 1108 HL7 2VN 201 H6 DRG 176 2.968 -4.612 -1.534 1109 HL8 2VN 201 H8 DRG 176 0.499 -5.243 1.937 1110 HK9 2VN 201 H9 DRG 176 0.154 -2.814 2.109 1111 HJ2 2VN 201 H43 DRG 176 3.182 -9.354 -2.460 1112 HJ1 2VN 201 H42 DRG 176 1.706 -9.351 -1.510 1113 HJ0 2VN 201 H41 DRG 176 3.269 -9.507 -0.723 1114 HJ4 2VN 201 H32 DRG 176 4.908 -7.469 -2.148 1115 HJ5 2VN 201 H33 DRG 176 4.515 -6.012 -1.254 1116 HJ3 2VN 201 H31 DRG 176 4.767 -7.507 -0.400 1117 H4 2VN 201 H191 DRG 176 -1.329 3.068 3.468 1118 H5 2VN 201 H192 DRG 176 -2.499 3.613 2.320 1119 H7 2VN 201 H182 DRG 176 -2.384 4.815 4.608 1120 H6 2VN 201 H181 DRG 176 -2.460 5.838 3.201 1121 H9 2VN 201 H172 DRG 176 -0.621 6.163 5.180 1122 H8 2VN 201 H171 DRG 176 -0.388 6.745 3.553 1123 H11 2VN 201 H162 DRG 176 0.676 4.138 4.702 1124 H10 2VN 201 H161 DRG 176 1.640 5.522 4.275 1125 H14 2VN 201 H122 DRG 176 -0.898 -0.732 0.079 1126 H13 2VN 201 H121 DRG 176 0.114 -0.685 -1.335 1127 H16 2VN 201 H202 DRG 176 -0.067 1.265 -2.415 1128 H15 2VN 201 H201 DRG 176 0.044 2.816 -1.653 1129 H12 2VN 201 HN2 DRG 176 -0.078 3.580 -0.172 Start of MODEL 6 1 H1 HIS -7 H1 HIS 1 -21.737 -5.074 0.189 2 H2 HIS -7 H2 HIS 1 -23.256 -5.326 -0.306 3 H3 HIS -7 H3 HIS 1 -22.270 -4.485 -1.313 4 HA HIS -7 HA HIS 1 -22.131 -2.933 0.781 5 HB2 HIS -7 HB2 HIS 1 -24.686 -3.192 -1.043 6 HB3 HIS -7 HB3 HIS 1 -24.435 -1.823 0.007 7 HD1 HIS -7 HD1 HIS 1 -22.962 -3.366 -3.161 8 HD2 HIS -7 HD2 HIS 1 -22.900 0.287 -1.045 9 HE1 HIS -7 HE1 HIS 1 -21.776 -1.645 -4.575 10 H HIS -6 H HIS 2 -23.102 -2.358 2.659 11 HA HIS -6 HA HIS 2 -25.415 -3.870 3.640 12 HB2 HIS -6 HB2 HIS 2 -22.719 -3.805 5.102 13 HB3 HIS -6 HB3 HIS 2 -24.228 -4.294 5.824 14 HD1 HIS -6 HD1 HIS 2 -21.335 -5.767 4.374 15 HD2 HIS -6 HD2 HIS 2 -25.452 -6.694 4.242 16 HE1 HIS -6 HE1 HIS 2 -21.588 -8.190 3.695 17 H HIS -5 H HIS 3 -26.685 -2.659 4.890 18 HA HIS -5 HA HIS 3 -25.808 0.036 5.807 19 HB2 HIS -5 HB2 HIS 3 -28.526 -0.690 4.594 20 HB3 HIS -5 HB3 HIS 3 -28.003 0.896 5.093 21 HD1 HIS -5 HD1 HIS 3 -28.542 -0.896 2.111 22 HD2 HIS -5 HD2 HIS 3 -25.374 1.587 3.379 23 HE1 HIS -5 HE1 HIS 3 -27.275 -0.114 0.069 24 H HIS -4 H HIS 4 -27.753 0.842 7.324 25 HA HIS -4 HA HIS 4 -28.718 0.766 9.307 26 HB2 HIS -4 HB2 HIS 4 -30.328 -0.729 8.223 27 HB3 HIS -4 HB3 HIS 4 -29.379 -2.135 8.599 28 HD1 HIS -4 HD1 HIS 4 -29.613 -3.191 10.911 29 HD2 HIS -4 HD2 HIS 4 -31.729 0.440 10.568 30 HE1 HIS -4 HE1 HIS 4 -31.125 -2.955 12.930 31 H HIS -3 H HIS 5 -26.649 1.256 10.188 32 HA HIS -3 HA HIS 5 -25.705 -0.709 12.172 33 HB2 HIS -3 HB2 HIS 5 -23.962 0.594 10.020 34 HB3 HIS -3 HB3 HIS 5 -23.290 0.048 11.527 35 HD1 HIS -3 HD1 HIS 5 -24.795 -1.308 8.333 36 HD2 HIS -3 HD2 HIS 5 -22.983 -2.781 11.846 37 HE1 HIS -3 HE1 HIS 5 -24.317 -3.766 8.012 38 H HIS -2 H HIS 6 -24.327 0.279 13.803 39 HA HIS -2 HA HIS 6 -24.666 3.197 14.170 40 HB2 HIS -2 HB2 HIS 6 -26.549 1.927 15.316 41 HB3 HIS -2 HB3 HIS 6 -25.363 1.106 16.295 42 HD1 HIS -2 HD1 HIS 6 -26.410 4.729 15.489 43 HD2 HIS -2 HD2 HIS 6 -24.869 2.486 18.713 44 HE1 HIS -2 HE1 HIS 6 -26.268 6.238 17.514 45 H VAL -1 H VAL 7 -22.416 2.317 13.151 46 HA VAL -1 HA VAL 7 -20.492 2.780 15.312 47 HB VAL -1 HB VAL 7 -18.911 1.105 14.393 48 HG11 VAL -1 HG11 VAL 7 -19.760 -0.857 15.533 49 HG12 VAL -1 HG12 VAL 7 -20.192 0.583 16.442 50 HG13 VAL -1 HG13 VAL 7 -21.406 -0.249 15.472 51 HG21 VAL -1 HG21 VAL 7 -19.688 -0.836 13.040 52 HG22 VAL -1 HG22 VAL 7 -21.224 -0.031 12.764 53 HG23 VAL -1 HG23 VAL 7 -19.730 0.655 12.126 54 H ALA 0 H ALA 8 -18.766 3.977 14.676 55 HA ALA 0 HA ALA 8 -18.828 5.280 12.045 56 HB1 ALA 0 HB1 ALA 8 -17.060 6.702 13.102 57 HB2 ALA 0 HB2 ALA 8 -18.483 6.610 14.130 58 HB3 ALA 0 HB3 ALA 8 -17.051 5.660 14.522 59 H MET 1 H MET 9 -16.914 5.408 10.687 60 HA MET 1 HA MET 9 -15.302 2.962 10.591 61 HB2 MET 1 HB2 MET 9 -14.432 3.870 8.506 62 HB3 MET 1 HB3 MET 9 -16.155 3.816 8.513 63 HG2 MET 1 HG2 MET 9 -14.767 6.442 9.214 64 HG3 MET 1 HG3 MET 9 -14.824 5.909 7.568 65 HE1 MET 1 HE1 MET 9 -18.536 6.082 6.542 66 HE2 MET 1 HE2 MET 9 -16.876 5.764 6.031 67 HE3 MET 1 HE3 MET 9 -17.719 4.615 7.077 68 H SER 2 H SER 10 -12.995 2.978 10.497 69 HA SER 2 HA SER 10 -11.431 5.259 11.209 70 HB2 SER 2 HB2 SER 10 -12.262 4.630 13.516 71 HB3 SER 2 HB3 SER 10 -11.650 3.004 13.290 72 HG SER 2 HG SER 10 -10.192 4.296 14.426 73 H PHE 3 H PHE 11 -9.260 4.906 10.730 74 HA PHE 3 HA PHE 11 -8.618 2.862 8.859 75 HB2 PHE 3 HB2 PHE 11 -7.093 5.063 10.250 76 HB3 PHE 3 HB3 PHE 11 -6.229 3.886 9.329 77 HD1 PHE 3 HD1 PHE 11 -6.588 3.636 6.848 78 HD2 PHE 3 HD2 PHE 11 -8.572 6.728 9.115 79 HE1 PHE 3 HE1 PHE 11 -7.060 4.872 4.778 80 HE2 PHE 3 HE2 PHE 11 -9.038 7.928 7.017 81 HZ PHE 3 HZ PHE 11 -8.233 7.032 4.868 82 H SER 4 H SER 12 -8.267 2.878 12.356 83 HA SER 4 HA SER 12 -6.150 1.093 12.654 84 HB2 SER 4 HB2 SER 12 -6.970 0.876 14.962 85 HB3 SER 4 HB3 SER 12 -6.997 2.542 14.435 86 HG SER 4 HG SER 12 -9.220 0.774 14.490 87 H GLY 5 H GLY 13 -5.866 -0.965 12.130 88 HA2 GLY 5 HA2 GLY 13 -7.130 -3.202 12.910 89 HA3 GLY 5 HA3 GLY 13 -8.109 -2.775 11.508 90 H LYS 6 H LYS 14 -6.549 -5.130 11.629 91 HA LYS 6 HA LYS 14 -4.346 -4.722 9.704 92 HB2 LYS 6 HB2 LYS 14 -5.227 -7.020 11.504 93 HB3 LYS 6 HB3 LYS 14 -4.409 -7.375 10.032 94 HG2 LYS 6 HG2 LYS 14 -2.766 -5.380 11.070 95 HG3 LYS 6 HG3 LYS 14 -3.234 -6.270 12.477 96 HD2 LYS 6 HD2 LYS 14 -2.083 -7.524 9.931 97 HD3 LYS 6 HD3 LYS 14 -1.117 -7.060 11.302 98 HE2 LYS 6 HE2 LYS 14 -2.225 -8.702 12.756 99 HE3 LYS 6 HE3 LYS 14 -3.400 -9.094 11.524 100 HZ1 LYS 6 HZ1 LYS 14 -1.662 -10.693 11.600 101 HZ2 LYS 6 HZ2 LYS 14 -1.621 -9.912 10.149 102 HZ3 LYS 6 HZ3 LYS 14 -0.512 -9.549 11.314 103 H TYR 7 H TYR 15 -4.244 -5.673 7.701 104 HA TYR 7 HA TYR 15 -6.672 -6.893 6.546 105 HB2 TYR 7 HB2 TYR 15 -5.154 -4.580 5.239 106 HB3 TYR 7 HB3 TYR 15 -6.553 -5.395 4.601 107 HD1 TYR 7 HD1 TYR 15 -8.814 -4.747 5.302 108 HD2 TYR 7 HD2 TYR 15 -5.346 -3.063 7.213 109 HE1 TYR 7 HE1 TYR 15 -10.251 -3.065 6.429 110 HE2 TYR 7 HE2 TYR 15 -6.783 -1.384 8.345 111 HH TYR 7 HH TYR 15 -8.908 -0.608 8.674 112 H GLN 8 H GLN 16 -6.246 -8.182 4.694 113 HA GLN 8 HA GLN 16 -3.393 -8.931 4.217 114 HB2 GLN 8 HB2 GLN 16 -4.032 -11.235 4.227 115 HB3 GLN 8 HB3 GLN 16 -4.627 -10.535 5.688 116 HG2 GLN 8 HG2 GLN 16 -6.851 -10.275 3.947 117 HG3 GLN 8 HG3 GLN 16 -6.104 -11.749 3.397 118 HE21 GLN 8 HE21 GLN 16 -8.510 -10.621 5.293 119 HE22 GLN 8 HE22 GLN 16 -8.578 -11.877 6.501 120 H LEU 9 H LEU 17 -2.868 -9.521 2.073 121 HA LEU 9 HA LEU 17 -4.294 -8.147 0.059 122 HB2 LEU 9 HB2 LEU 17 -1.859 -8.525 0.134 123 HB3 LEU 9 HB3 LEU 17 -2.049 -10.222 -0.145 124 HG LEU 9 HG LEU 17 -1.332 -8.645 -2.045 125 HD11 LEU 9 HD11 LEU 17 -2.979 -9.931 -3.763 126 HD12 LEU 9 HD12 LEU 17 -1.611 -10.706 -2.979 127 HD13 LEU 9 HD13 LEU 17 -3.243 -10.919 -2.346 128 HD21 LEU 9 HD21 LEU 17 -2.935 -7.438 -3.338 129 HD22 LEU 9 HD22 LEU 17 -4.267 -8.158 -2.522 130 HD23 LEU 9 HD23 LEU 17 -3.267 -6.983 -1.665 131 H GLN 10 H GLN 18 -5.838 -8.689 -1.332 132 HA GLN 10 HA GLN 18 -6.910 -11.478 -1.376 133 HB2 GLN 10 HB2 GLN 18 -8.296 -8.773 -1.742 134 HB3 GLN 10 HB3 GLN 18 -9.072 -10.308 -1.978 135 HG2 GLN 10 HG2 GLN 18 -7.915 -9.330 0.680 136 HG3 GLN 10 HG3 GLN 18 -9.587 -9.264 0.194 137 HE21 GLN 10 HE21 GLN 18 -7.200 -11.210 1.707 138 HE22 GLN 10 HE22 GLN 18 -8.150 -12.665 1.853 139 H SER 11 H SER 19 -6.468 -8.477 -3.360 140 HA SER 11 HA SER 19 -6.059 -10.057 -5.782 141 HB2 SER 11 HB2 SER 19 -8.582 -9.926 -5.454 142 HB3 SER 11 HB3 SER 19 -8.480 -8.182 -5.527 143 HG SER 11 HG SER 19 -8.994 -9.109 -7.528 144 H GLN 12 H GLN 20 -5.885 -8.475 -7.722 145 HA GLN 12 HA GLN 20 -4.504 -5.991 -7.238 146 HB2 GLN 12 HB2 GLN 20 -2.254 -7.006 -7.939 147 HB3 GLN 12 HB3 GLN 20 -2.746 -7.286 -6.298 148 HG2 GLN 12 HG2 GLN 20 -3.183 -9.593 -6.621 149 HG3 GLN 12 HG3 GLN 20 -3.493 -9.416 -8.325 150 HE21 GLN 12 HE21 GLN 20 -1.030 -10.083 -5.982 151 HE22 GLN 12 HE22 GLN 20 0.262 -10.316 -7.133 152 H GLU 13 H GLU 21 -3.795 -4.974 -9.150 153 HA GLU 13 HA GLU 21 -4.236 -6.303 -11.756 154 HB2 GLU 13 HB2 GLU 21 -5.394 -3.545 -11.146 155 HB3 GLU 13 HB3 GLU 21 -5.583 -4.474 -12.590 156 HG2 GLU 13 HG2 GLU 21 -7.022 -6.127 -11.421 157 HG3 GLU 13 HG3 GLU 21 -6.794 -5.293 -9.899 158 H ASN 14 H ASN 22 -2.809 -5.531 -13.325 159 HA ASN 14 HA ASN 22 -0.975 -4.786 -14.161 160 HB2 ASN 14 HB2 ASN 22 -2.040 -2.244 -12.886 161 HB3 ASN 14 HB3 ASN 22 -0.493 -2.136 -13.660 162 HD21 ASN 14 HD21 ASN 22 -3.179 -0.976 -14.373 163 HD22 ASN 14 HD22 ASN 22 -3.292 -1.321 -16.081 164 H PHE 15 H PHE 23 -0.703 -6.059 -11.502 165 HA PHE 15 HA PHE 23 1.491 -4.938 -10.081 166 HB2 PHE 15 HB2 PHE 23 0.085 -6.561 -9.020 167 HB3 PHE 15 HB3 PHE 23 0.323 -7.713 -10.298 168 HD1 PHE 15 HD1 PHE 23 2.063 -6.043 -7.410 169 HD2 PHE 15 HD2 PHE 23 2.260 -9.162 -10.382 170 HE1 PHE 15 HE1 PHE 23 3.964 -7.073 -6.231 171 HE2 PHE 15 HE2 PHE 23 4.202 -10.073 -9.268 172 HZ PHE 15 HZ PHE 23 5.060 -9.069 -7.168 173 H GLU 16 H GLU 24 1.455 -7.602 -12.509 174 HA GLU 16 HA GLU 24 4.172 -7.996 -12.897 175 HB2 GLU 16 HB2 GLU 24 1.742 -8.168 -14.726 176 HB3 GLU 16 HB3 GLU 24 3.301 -8.590 -15.331 177 HG2 GLU 16 HG2 GLU 24 2.057 -9.917 -12.855 178 HG3 GLU 16 HG3 GLU 24 1.810 -10.500 -14.480 179 H ALA 17 H ALA 25 2.052 -5.767 -14.780 180 HA ALA 17 HA ALA 25 3.933 -4.625 -16.454 181 HB1 ALA 17 HB1 ALA 25 2.225 -2.792 -16.688 182 HB2 ALA 17 HB2 ALA 25 1.498 -4.390 -16.750 183 HB3 ALA 17 HB3 ALA 25 1.368 -3.423 -15.287 184 H PHE 18 H PHE 26 2.859 -3.316 -13.255 185 HA PHE 18 HA PHE 26 4.569 -1.043 -13.331 186 HB2 PHE 18 HB2 PHE 26 2.551 -1.052 -12.083 187 HB3 PHE 18 HB3 PHE 26 3.020 -2.432 -11.125 188 HD1 PHE 18 HD1 PHE 26 4.736 -2.207 -9.302 189 HD2 PHE 18 HD2 PHE 26 3.349 1.223 -11.516 190 HE1 PHE 18 HE1 PHE 26 5.614 -0.708 -7.557 191 HE2 PHE 18 HE2 PHE 26 4.235 2.691 -9.742 192 HZ PHE 18 HZ PHE 26 5.352 1.735 -7.774 193 H MET 19 H MET 27 4.946 -4.250 -11.746 194 HA MET 19 HA MET 27 7.354 -3.598 -10.394 195 HB2 MET 19 HB2 MET 27 6.181 -6.308 -11.035 196 HB3 MET 19 HB3 MET 27 7.510 -5.970 -9.946 197 HG2 MET 19 HG2 MET 27 4.849 -4.607 -9.450 198 HG3 MET 19 HG3 MET 27 5.109 -6.256 -8.967 199 HE1 MET 19 HE1 MET 27 5.249 -3.611 -5.841 200 HE2 MET 19 HE2 MET 27 4.445 -3.313 -7.379 201 HE3 MET 19 HE3 MET 27 4.219 -4.852 -6.553 202 H LYS 20 H LYS 28 6.747 -5.058 -13.633 203 HA LYS 20 HA LYS 28 9.508 -5.461 -14.283 204 HB2 LYS 20 HB2 LYS 28 6.927 -5.306 -15.894 205 HB3 LYS 20 HB3 LYS 28 8.434 -5.106 -16.704 206 HG2 LYS 20 HG2 LYS 28 8.121 -7.321 -17.026 207 HG3 LYS 20 HG3 LYS 28 9.289 -7.275 -15.745 208 HD2 LYS 20 HD2 LYS 28 7.370 -7.702 -14.092 209 HD3 LYS 20 HD3 LYS 28 6.308 -7.859 -15.460 210 HE2 LYS 20 HE2 LYS 28 8.783 -9.625 -15.280 211 HE3 LYS 20 HE3 LYS 28 7.303 -10.052 -14.454 212 HZ1 LYS 20 HZ1 LYS 28 7.421 -11.035 -16.587 213 HZ2 LYS 20 HZ2 LYS 28 6.119 -10.038 -16.442 214 HZ3 LYS 20 HZ3 LYS 28 7.437 -9.555 -17.323 215 H ALA 21 H ALA 29 7.370 -2.591 -14.453 216 HA ALA 21 HA ALA 29 9.144 -1.055 -16.101 217 HB1 ALA 21 HB1 ALA 29 7.538 0.791 -15.619 218 HB2 ALA 21 HB2 ALA 29 6.750 -0.688 -16.145 219 HB3 ALA 21 HB3 ALA 29 6.716 -0.230 -14.444 220 H ILE 22 H ILE 30 8.684 -1.213 -12.530 221 HA ILE 22 HA ILE 30 10.646 0.887 -12.034 222 HB ILE 22 HB ILE 30 10.533 0.127 -9.672 223 HG12 ILE 22 HG12 ILE 30 8.350 -1.750 -10.533 224 HG13 ILE 22 HG13 ILE 30 9.937 -2.321 -10.188 225 HG21 ILE 22 HG21 ILE 30 8.293 1.002 -9.218 226 HG22 ILE 22 HG22 ILE 30 9.026 1.899 -10.533 227 HG23 ILE 22 HG23 ILE 30 7.791 0.691 -10.875 228 HD11 ILE 22 HD11 ILE 30 8.747 -2.690 -8.166 229 HD12 ILE 22 HD12 ILE 30 9.576 -1.173 -7.817 230 HD13 ILE 22 HD13 ILE 30 7.874 -1.173 -8.274 231 H GLY 23 H GLY 31 10.916 -2.362 -13.030 232 HA2 GLY 23 HA2 GLY 31 12.855 -3.338 -13.739 233 HA3 GLY 23 HA3 GLY 31 13.821 -2.161 -12.879 234 H LEU 24 H LEU 32 11.266 -4.116 -11.226 235 HA LEU 24 HA LEU 32 13.158 -5.245 -9.396 236 HB2 LEU 24 HB2 LEU 32 10.187 -5.292 -9.781 237 HB3 LEU 24 HB3 LEU 32 10.806 -6.785 -9.170 238 HG LEU 24 HG LEU 32 11.914 -5.673 -7.308 239 HD11 LEU 24 HD11 LEU 32 10.972 -3.097 -7.057 240 HD12 LEU 24 HD12 LEU 32 12.565 -3.567 -7.651 241 HD13 LEU 24 HD13 LEU 32 11.302 -3.189 -8.778 242 HD21 LEU 24 HD21 LEU 32 10.047 -6.081 -6.165 243 HD22 LEU 24 HD22 LEU 32 9.342 -4.552 -6.656 244 HD23 LEU 24 HD23 LEU 32 9.094 -5.988 -7.632 245 HA PRO 25 HA PRO 33 14.246 -8.977 -11.663 246 HB2 PRO 25 HB2 PRO 33 14.886 -10.680 -9.602 247 HB3 PRO 25 HB3 PRO 33 15.869 -9.285 -10.020 248 HG2 PRO 25 HG2 PRO 33 13.736 -9.443 -7.881 249 HG3 PRO 25 HG3 PRO 33 15.397 -8.895 -7.667 250 HD2 PRO 25 HD2 PRO 33 13.393 -7.125 -8.076 251 HD3 PRO 25 HD3 PRO 33 14.947 -6.848 -8.874 252 H GLU 26 H GLU 34 13.253 -10.847 -12.383 253 HA GLU 26 HA GLU 34 10.506 -11.081 -12.124 254 HB2 GLU 26 HB2 GLU 34 11.776 -11.737 -14.079 255 HB3 GLU 26 HB3 GLU 34 12.567 -13.021 -13.211 256 HG2 GLU 26 HG2 GLU 34 10.435 -14.275 -13.010 257 HG3 GLU 26 HG3 GLU 34 9.541 -12.926 -13.682 258 H GLU 27 H GLU 35 12.951 -12.692 -10.107 259 HA GLU 27 HA GLU 35 11.218 -14.640 -8.988 260 HB2 GLU 27 HB2 GLU 35 13.609 -14.864 -8.891 261 HB3 GLU 27 HB3 GLU 35 13.787 -13.405 -7.955 262 HG2 GLU 27 HG2 GLU 35 12.658 -14.441 -6.002 263 HG3 GLU 27 HG3 GLU 35 12.226 -15.845 -6.953 264 H LEU 28 H LEU 36 11.940 -11.263 -7.892 265 HA LEU 28 HA LEU 36 10.243 -11.361 -5.591 266 HB2 LEU 28 HB2 LEU 36 11.397 -9.087 -7.253 267 HB3 LEU 28 HB3 LEU 36 10.305 -8.757 -5.948 268 HG LEU 28 HG LEU 36 12.927 -10.232 -5.620 269 HD11 LEU 28 HD11 LEU 36 12.831 -7.656 -4.237 270 HD12 LEU 28 HD12 LEU 36 13.962 -8.241 -5.445 271 HD13 LEU 28 HD13 LEU 36 12.483 -7.433 -5.931 272 HD21 LEU 28 HD21 LEU 36 12.101 -9.338 -3.066 273 HD22 LEU 28 HD22 LEU 36 10.632 -9.960 -3.783 274 HD23 LEU 28 HD23 LEU 36 12.062 -10.980 -3.669 275 H ILE 29 H ILE 37 9.580 -10.875 -9.004 276 HA ILE 29 HA ILE 37 6.938 -9.743 -8.616 277 HB ILE 29 HB ILE 37 8.279 -10.916 -11.082 278 HG12 ILE 29 HG12 ILE 37 7.777 -8.002 -10.503 279 HG13 ILE 29 HG13 ILE 37 9.233 -8.736 -9.945 280 HG21 ILE 29 HG21 ILE 37 6.516 -9.715 -12.399 281 HG22 ILE 29 HG22 ILE 37 5.823 -10.980 -11.412 282 HG23 ILE 29 HG23 ILE 37 5.693 -9.294 -10.917 283 HD11 ILE 29 HD11 ILE 37 8.937 -7.578 -12.438 284 HD12 ILE 29 HD12 ILE 37 10.230 -8.659 -11.965 285 HD13 ILE 29 HD13 ILE 37 8.844 -9.305 -12.809 286 H GLN 30 H GLN 38 8.185 -12.972 -9.788 287 HA GLN 30 HA GLN 38 5.660 -14.199 -9.878 288 HB2 GLN 30 HB2 GLN 38 8.443 -15.427 -9.539 289 HB3 GLN 30 HB3 GLN 38 7.010 -16.365 -9.820 290 HG2 GLN 30 HG2 GLN 38 8.367 -14.472 -11.769 291 HG3 GLN 30 HG3 GLN 38 8.103 -16.175 -11.933 292 HE21 GLN 30 HE21 GLN 38 6.931 -13.035 -12.648 293 HE22 GLN 30 HE22 GLN 38 5.365 -13.463 -13.271 294 H LYS 31 H LYS 39 7.936 -14.061 -7.088 295 HA LYS 31 HA LYS 39 6.217 -15.672 -5.415 296 HB2 LYS 31 HB2 LYS 39 7.776 -15.268 -3.694 297 HB3 LYS 31 HB3 LYS 39 8.686 -15.451 -5.153 298 HG2 LYS 31 HG2 LYS 39 9.785 -13.603 -4.337 299 HG3 LYS 31 HG3 LYS 39 8.537 -12.779 -5.200 300 HD2 LYS 31 HD2 LYS 39 7.919 -11.700 -3.345 301 HD3 LYS 31 HD3 LYS 39 7.381 -13.193 -2.639 302 HE2 LYS 31 HE2 LYS 39 10.204 -12.046 -2.393 303 HE3 LYS 31 HE3 LYS 39 8.973 -12.038 -1.146 304 HZ1 LYS 31 HZ1 LYS 39 10.515 -13.818 -0.850 305 HZ2 LYS 31 HZ2 LYS 39 9.013 -14.426 -1.157 306 HZ3 LYS 31 HZ3 LYS 39 10.164 -14.440 -2.335 307 H GLY 32 H GLY 40 6.339 -12.213 -6.222 308 HA2 GLY 32 HA2 GLY 40 4.930 -11.271 -3.878 309 HA3 GLY 32 HA3 GLY 40 5.310 -10.378 -5.332 310 H LYS 33 H LYS 41 3.887 -12.578 -7.023 311 HA LYS 33 HA LYS 41 1.071 -11.819 -6.445 312 HB2 LYS 33 HB2 LYS 41 0.594 -12.410 -8.757 313 HB3 LYS 33 HB3 LYS 41 1.730 -11.129 -8.649 314 HG2 LYS 33 HG2 LYS 41 3.343 -12.253 -9.768 315 HG3 LYS 33 HG3 LYS 41 3.165 -13.706 -8.842 316 HD2 LYS 33 HD2 LYS 41 1.334 -12.885 -11.140 317 HD3 LYS 33 HD3 LYS 41 2.709 -13.942 -11.302 318 HE2 LYS 33 HE2 LYS 41 1.656 -15.577 -9.700 319 HE3 LYS 33 HE3 LYS 41 0.256 -14.534 -9.546 320 HZ1 LYS 33 HZ1 LYS 41 -0.107 -16.240 -11.134 321 HZ2 LYS 33 HZ2 LYS 41 -0.121 -14.773 -11.890 322 HZ3 LYS 33 HZ3 LYS 41 1.190 -15.762 -12.032 323 H ASP 34 H ASP 42 3.252 -14.578 -6.539 324 HA ASP 34 HA ASP 42 1.220 -16.605 -6.463 325 HB2 ASP 34 HB2 ASP 42 3.505 -17.135 -7.182 326 HB3 ASP 34 HB3 ASP 42 4.144 -16.596 -5.636 327 H ILE 35 H ILE 43 3.246 -14.999 -3.951 328 HA ILE 35 HA ILE 43 1.640 -16.185 -1.774 329 HB ILE 35 HB ILE 43 4.138 -14.427 -1.659 330 HG12 ILE 35 HG12 ILE 43 4.813 -16.401 -2.849 331 HG13 ILE 35 HG13 ILE 43 5.460 -16.463 -1.249 332 HG21 ILE 35 HG21 ILE 43 4.431 -15.372 0.638 333 HG22 ILE 35 HG22 ILE 43 3.026 -14.344 0.489 334 HG23 ILE 35 HG23 ILE 43 2.830 -16.091 0.524 335 HD11 ILE 35 HD11 ILE 43 4.676 -18.683 -1.756 336 HD12 ILE 35 HD12 ILE 43 3.460 -18.048 -0.657 337 HD13 ILE 35 HD13 ILE 43 3.146 -18.105 -2.391 338 H LYS 36 H LYS 44 0.332 -15.013 -0.478 339 HA LYS 36 HA LYS 44 -0.288 -12.206 -1.149 340 HB2 LYS 36 HB2 LYS 44 -1.647 -14.315 0.602 341 HB3 LYS 36 HB3 LYS 44 -2.193 -12.662 0.461 342 HG2 LYS 36 HG2 LYS 44 -2.465 -12.919 -1.990 343 HG3 LYS 36 HG3 LYS 44 -1.943 -14.567 -1.910 344 HD2 LYS 36 HD2 LYS 44 -3.906 -15.343 -0.965 345 HD3 LYS 36 HD3 LYS 44 -4.246 -13.875 -0.107 346 HE2 LYS 36 HE2 LYS 44 -5.890 -14.212 -1.929 347 HE3 LYS 36 HE3 LYS 44 -4.948 -12.766 -2.230 348 HZ1 LYS 36 HZ1 LYS 44 -5.173 -14.059 -4.183 349 HZ2 LYS 36 HZ2 LYS 44 -3.586 -14.006 -3.738 350 HZ3 LYS 36 HZ3 LYS 44 -4.469 -15.372 -3.473 351 H GLY 37 H GLY 45 0.461 -10.561 0.012 352 HA2 GLY 37 HA2 GLY 45 1.996 -10.959 2.505 353 HA3 GLY 37 HA3 GLY 45 1.812 -9.483 1.584 354 H VAL 38 H VAL 46 1.595 -9.107 4.120 355 HA VAL 38 HA VAL 46 -1.297 -8.713 4.753 356 HB VAL 38 HB VAL 46 0.954 -9.228 6.761 357 HG11 VAL 38 HG11 VAL 46 -0.926 -9.536 8.394 358 HG12 VAL 38 HG12 VAL 46 -0.772 -7.892 7.815 359 HG13 VAL 38 HG13 VAL 46 -2.028 -8.943 7.158 360 HG21 VAL 38 HG21 VAL 46 -0.132 -11.438 7.217 361 HG22 VAL 38 HG22 VAL 46 -1.184 -11.193 5.827 362 HG23 VAL 38 HG23 VAL 46 0.556 -11.365 5.611 363 H SER 39 H SER 47 -1.750 -6.696 5.823 364 HA SER 39 HA SER 47 0.404 -4.702 6.015 365 HB2 SER 39 HB2 SER 47 -0.318 -4.728 3.604 366 HB3 SER 39 HB3 SER 47 -1.956 -4.355 4.102 367 HG SER 39 HG SER 47 -0.714 -2.521 3.516 368 H GLU 40 H GLU 48 0.135 -4.159 8.077 369 HA GLU 40 HA GLU 48 -2.478 -3.835 9.342 370 HB2 GLU 40 HB2 GLU 48 -0.467 -4.775 10.546 371 HB3 GLU 40 HB3 GLU 48 0.335 -3.252 10.258 372 HG2 GLU 40 HG2 GLU 48 -1.138 -2.020 11.735 373 HG3 GLU 40 HG3 GLU 48 -2.207 -3.383 11.929 374 H ILE 41 H ILE 49 -3.431 -1.905 9.943 375 HA ILE 41 HA ILE 49 -2.097 0.660 9.170 376 HB ILE 41 HB ILE 49 -5.095 0.065 9.098 377 HG12 ILE 41 HG12 ILE 49 -3.162 0.039 6.801 378 HG13 ILE 41 HG13 ILE 49 -4.132 -1.282 7.317 379 HG21 ILE 41 HG21 ILE 49 -5.264 2.245 7.960 380 HG22 ILE 41 HG22 ILE 49 -4.381 2.492 9.444 381 HG23 ILE 41 HG23 ILE 49 -3.514 2.391 7.914 382 HD11 ILE 41 HD11 ILE 49 -5.378 -0.555 5.484 383 HD12 ILE 41 HD12 ILE 49 -6.171 0.396 6.737 384 HD13 ILE 41 HD13 ILE 49 -4.946 1.135 5.708 385 H VAL 42 H VAL 50 -1.975 2.053 10.906 386 HA VAL 42 HA VAL 50 -4.025 1.886 13.017 387 HB VAL 42 HB VAL 50 -2.437 2.165 14.825 388 HG11 VAL 42 HG11 VAL 50 -1.630 -0.115 15.076 389 HG12 VAL 42 HG12 VAL 50 -3.224 -0.127 14.336 390 HG13 VAL 42 HG13 VAL 50 -1.791 -0.413 13.353 391 HG21 VAL 42 HG21 VAL 50 0.003 1.682 14.581 392 HG22 VAL 42 HG22 VAL 50 -0.199 1.708 12.834 393 HG23 VAL 42 HG23 VAL 50 -0.471 3.171 13.788 394 H GLN 43 H GLN 51 -4.536 3.758 13.933 395 HA GLN 43 HA GLN 51 -3.303 6.290 12.945 396 HB2 GLN 43 HB2 GLN 51 -5.512 5.754 11.902 397 HB3 GLN 43 HB3 GLN 51 -6.222 5.531 13.472 398 HG2 GLN 43 HG2 GLN 51 -5.673 8.002 13.978 399 HG3 GLN 43 HG3 GLN 51 -5.182 8.163 12.308 400 HE21 GLN 43 HE21 GLN 51 -7.560 9.167 14.105 401 HE22 GLN 43 HE22 GLN 51 -8.954 8.889 13.093 402 H ASN 44 H ASN 52 -2.564 7.539 14.606 403 HA ASN 44 HA ASN 52 -3.716 7.275 17.305 404 HB2 ASN 44 HB2 ASN 52 -1.551 7.000 18.380 405 HB3 ASN 44 HB3 ASN 52 -1.952 5.633 17.388 406 HD21 ASN 44 HD21 ASN 52 -0.864 5.506 15.156 407 HD22 ASN 44 HD22 ASN 52 0.782 6.083 15.074 408 H GLY 45 H GLY 53 -4.730 9.165 16.631 409 HA2 GLY 45 HA2 GLY 53 -5.028 11.428 16.718 410 HA3 GLY 45 HA3 GLY 53 -3.409 11.616 17.382 411 H LYS 46 H LYS 54 -2.096 12.782 16.064 412 HA LYS 46 HA LYS 54 -2.622 13.084 13.235 413 HB2 LYS 46 HB2 LYS 54 -1.135 14.515 15.352 414 HB3 LYS 46 HB3 LYS 54 -0.176 14.390 13.929 415 HG2 LYS 46 HG2 LYS 54 -2.990 15.533 13.967 416 HG3 LYS 46 HG3 LYS 54 -1.514 16.459 13.981 417 HD2 LYS 46 HD2 LYS 54 -0.884 15.371 11.759 418 HD3 LYS 46 HD3 LYS 54 -2.443 14.611 11.720 419 HE2 LYS 46 HE2 LYS 54 -2.680 16.526 10.349 420 HE3 LYS 46 HE3 LYS 54 -3.540 16.911 11.826 421 HZ1 LYS 46 HZ1 LYS 54 -2.142 18.697 11.104 422 HZ2 LYS 46 HZ2 LYS 54 -1.575 18.119 12.542 423 HZ3 LYS 46 HZ3 LYS 54 -0.805 17.733 11.135 424 H HIS 47 H HIS 55 -0.457 11.081 15.158 425 HA HIS 47 HA HIS 55 1.313 10.497 12.912 426 HB2 HIS 47 HB2 HIS 55 1.441 10.182 15.775 427 HB3 HIS 47 HB3 HIS 55 1.537 8.585 15.099 428 HD1 HIS 47 HD1 HIS 55 3.357 8.569 12.810 429 HD2 HIS 47 HD2 HIS 55 4.017 11.226 16.023 430 HE1 HIS 47 HE1 HIS 55 5.767 9.306 12.749 431 H PHE 48 H PHE 56 1.574 8.447 11.962 432 HA PHE 48 HA PHE 56 -0.695 6.552 12.038 433 HB2 PHE 48 HB2 PHE 56 -0.740 8.617 10.262 434 HB3 PHE 48 HB3 PHE 56 0.406 7.645 9.404 435 HD1 PHE 48 HD1 PHE 56 -0.301 5.421 8.451 436 HD2 PHE 48 HD2 PHE 56 -3.075 7.943 10.592 437 HE1 PHE 48 HE1 PHE 56 -2.201 4.159 7.538 438 HE2 PHE 48 HE2 PHE 56 -4.951 6.655 9.647 439 HZ PHE 48 HZ PHE 56 -4.508 4.793 8.091 440 H LYS 49 H LYS 57 0.062 4.456 11.786 441 HA LYS 49 HA LYS 57 2.858 4.028 10.845 442 HB2 LYS 49 HB2 LYS 57 1.851 3.494 13.514 443 HB3 LYS 49 HB3 LYS 57 2.045 1.954 12.727 444 HG2 LYS 49 HG2 LYS 57 4.402 2.705 12.066 445 HG3 LYS 49 HG3 LYS 57 4.145 4.092 13.105 446 HD2 LYS 49 HD2 LYS 57 5.307 2.658 14.503 447 HD3 LYS 49 HD3 LYS 57 3.659 2.366 14.990 448 HE2 LYS 49 HE2 LYS 57 3.572 0.281 13.628 449 HE3 LYS 49 HE3 LYS 57 5.169 0.608 12.981 450 HZ1 LYS 49 HZ1 LYS 57 5.264 -0.940 14.754 451 HZ2 LYS 49 HZ2 LYS 57 6.061 0.441 15.179 452 HZ3 LYS 49 HZ3 LYS 57 4.568 0.124 15.805 453 H PHE 50 H PHE 58 3.275 1.945 9.976 454 HA PHE 50 HA PHE 58 1.024 0.404 8.926 455 HB2 PHE 50 HB2 PHE 58 2.366 2.565 7.449 456 HB3 PHE 50 HB3 PHE 58 2.775 1.072 6.700 457 HD1 PHE 50 HD1 PHE 58 0.687 -0.631 6.338 458 HD2 PHE 50 HD2 PHE 58 0.429 3.668 6.656 459 HE1 PHE 50 HE1 PHE 58 -1.470 -0.641 5.147 460 HE2 PHE 50 HE2 PHE 58 -1.677 3.612 5.377 461 HZ PHE 50 HZ PHE 58 -2.626 1.464 4.642 462 H THR 51 H THR 59 1.599 -1.719 9.061 463 HA THR 51 HA THR 59 4.509 -2.467 8.999 464 HB THR 51 HB THR 59 2.259 -3.859 10.540 465 HG1 THR 51 HG1 THR 59 3.008 -2.969 12.289 466 HG21 THR 51 HG21 THR 59 4.019 -5.171 11.624 467 HG22 THR 51 HG22 THR 59 3.956 -5.510 9.907 468 HG23 THR 51 HG23 THR 59 5.227 -4.483 10.551 469 H ILE 52 H ILE 60 4.857 -3.277 6.997 470 HA ILE 52 HA ILE 60 2.735 -4.874 5.649 471 HB ILE 52 HB ILE 60 5.183 -3.468 4.470 472 HG12 ILE 52 HG12 ILE 60 3.186 -2.126 3.347 473 HG13 ILE 52 HG13 ILE 60 2.314 -2.561 4.783 474 HG21 ILE 52 HG21 ILE 60 4.113 -3.932 2.273 475 HG22 ILE 52 HG22 ILE 60 4.510 -5.425 3.082 476 HG23 ILE 52 HG23 ILE 60 2.843 -4.852 3.077 477 HD11 ILE 52 HD11 ILE 60 3.353 -0.377 5.069 478 HD12 ILE 52 HD12 ILE 60 4.237 -1.428 6.136 479 HD13 ILE 52 HD13 ILE 60 4.941 -0.970 4.596 480 H THR 53 H THR 61 3.053 -7.015 5.728 481 HA THR 53 HA THR 61 5.783 -8.191 5.909 482 HB THR 53 HB THR 61 3.014 -9.436 6.221 483 HG1 THR 53 HG1 THR 61 3.786 -9.639 8.422 484 HG21 THR 53 HG21 THR 61 4.211 -11.424 7.183 485 HG22 THR 53 HG22 THR 61 4.533 -11.223 5.475 486 HG23 THR 53 HG23 THR 61 5.745 -10.740 6.654 487 H ALA 54 H ALA 62 6.630 -9.219 4.168 488 HA ALA 54 HA ALA 62 4.940 -9.879 1.800 489 HB1 ALA 54 HB1 ALA 62 6.747 -8.826 0.393 490 HB2 ALA 54 HB2 ALA 62 5.897 -7.651 1.395 491 HB3 ALA 54 HB3 ALA 62 7.495 -8.205 1.866 492 H GLY 55 H GLY 63 5.060 -12.004 2.694 493 HA2 GLY 55 HA2 GLY 63 5.836 -14.146 2.349 494 HA3 GLY 55 HA3 GLY 63 7.368 -13.550 1.737 495 H SER 56 H SER 64 8.880 -12.556 3.387 496 HA SER 56 HA SER 64 8.565 -13.552 6.161 497 HB2 SER 56 HB2 SER 64 9.772 -15.308 4.858 498 HB3 SER 56 HB3 SER 64 10.977 -14.133 4.370 499 HG SER 56 HG SER 64 11.600 -15.383 6.180 500 H LYS 57 H LYS 65 10.059 -11.245 3.875 501 HA LYS 57 HA LYS 65 11.328 -9.684 5.967 502 HB2 LYS 57 HB2 LYS 65 11.595 -7.992 4.176 503 HB3 LYS 57 HB3 LYS 65 12.295 -9.532 3.789 504 HG2 LYS 57 HG2 LYS 65 10.539 -10.084 2.235 505 HG3 LYS 57 HG3 LYS 65 9.536 -8.758 2.733 506 HD2 LYS 57 HD2 LYS 65 12.294 -8.249 1.563 507 HD3 LYS 57 HD3 LYS 65 10.958 -8.597 0.511 508 HE2 LYS 57 HE2 LYS 65 10.925 -6.301 2.547 509 HE3 LYS 57 HE3 LYS 65 11.449 -6.120 0.884 510 HZ1 LYS 57 HZ1 LYS 65 9.187 -5.514 1.137 511 HZ2 LYS 57 HZ2 LYS 65 9.306 -6.826 0.145 512 HZ3 LYS 57 HZ3 LYS 65 8.785 -7.008 1.699 513 H VAL 58 H VAL 66 10.539 -7.894 7.034 514 HA VAL 58 HA VAL 66 7.782 -6.980 6.419 515 HB VAL 58 HB VAL 66 8.902 -7.293 9.242 516 HG11 VAL 58 HG11 VAL 66 6.634 -6.721 10.007 517 HG12 VAL 58 HG12 VAL 66 7.224 -5.419 8.994 518 HG13 VAL 58 HG13 VAL 66 6.069 -6.574 8.349 519 HG21 VAL 58 HG21 VAL 66 7.180 -9.085 9.564 520 HG22 VAL 58 HG22 VAL 66 6.864 -9.060 7.833 521 HG23 VAL 58 HG23 VAL 66 8.440 -9.554 8.438 522 H ILE 59 H ILE 67 7.900 -4.905 5.836 523 HA ILE 59 HA ILE 67 10.063 -3.146 6.933 524 HB ILE 59 HB ILE 67 8.404 -2.888 4.390 525 HG12 ILE 59 HG12 ILE 67 11.415 -3.251 4.670 526 HG13 ILE 59 HG13 ILE 67 10.329 -4.569 4.352 527 HG21 ILE 59 HG21 ILE 67 9.733 -0.834 3.889 528 HG22 ILE 59 HG22 ILE 67 8.827 -0.614 5.356 529 HG23 ILE 59 HG23 ILE 67 10.545 -0.965 5.443 530 HD11 ILE 59 HD11 ILE 67 11.226 -3.902 2.228 531 HD12 ILE 59 HD12 ILE 67 9.550 -3.347 2.233 532 HD13 ILE 59 HD13 ILE 67 10.874 -2.213 2.505 533 H GLN 60 H GLN 68 9.409 -1.709 8.386 534 HA GLN 60 HA GLN 68 6.530 -0.974 8.604 535 HB2 GLN 60 HB2 GLN 68 8.744 -0.922 10.703 536 HB3 GLN 60 HB3 GLN 68 7.121 -0.353 10.940 537 HG2 GLN 60 HG2 GLN 68 6.396 -2.411 11.491 538 HG3 GLN 60 HG3 GLN 68 6.822 -3.028 9.922 539 HE21 GLN 60 HE21 GLN 68 8.897 -4.123 9.631 540 HE22 GLN 60 HE22 GLN 68 9.793 -4.683 11.015 541 H ASN 61 H ASN 69 6.002 1.061 8.163 542 HA ASN 61 HA ASN 69 8.037 3.221 8.208 543 HB2 ASN 61 HB2 ASN 69 6.000 2.671 5.982 544 HB3 ASN 61 HB3 ASN 69 6.898 4.157 6.141 545 HD21 ASN 61 HD21 ASN 69 6.857 1.469 4.331 546 HD22 ASN 61 HD22 ASN 69 8.544 1.383 3.907 547 H GLU 62 H GLU 70 7.124 5.299 8.567 548 HA GLU 62 HA GLU 70 4.356 5.512 9.451 549 HB2 GLU 62 HB2 GLU 70 4.920 5.940 11.775 550 HB3 GLU 62 HB3 GLU 70 5.540 4.387 11.305 551 HG2 GLU 62 HG2 GLU 70 7.837 5.593 10.931 552 HG3 GLU 62 HG3 GLU 70 7.141 6.910 11.850 553 H PHE 63 H PHE 71 3.683 7.612 9.806 554 HA PHE 63 HA PHE 71 5.439 9.856 9.336 555 HB2 PHE 63 HB2 PHE 71 4.327 10.589 7.249 556 HB3 PHE 63 HB3 PHE 71 5.159 9.086 7.007 557 HD1 PHE 63 HD1 PHE 71 3.852 6.959 6.655 558 HD2 PHE 63 HD2 PHE 71 1.847 10.741 7.207 559 HE1 PHE 63 HE1 PHE 71 1.760 5.991 5.806 560 HE2 PHE 63 HE2 PHE 71 -0.245 9.716 6.412 561 HZ PHE 63 HZ PHE 71 -0.283 7.365 5.682 562 H THR 64 H THR 72 4.432 11.874 9.636 563 HA THR 64 HA THR 72 1.880 11.818 11.157 564 HB THR 64 HB THR 72 3.986 14.010 10.777 565 HG1 THR 64 HG1 THR 72 4.418 13.561 12.944 566 HG21 THR 64 HG21 THR 72 2.793 15.142 12.698 567 HG22 THR 64 HG22 THR 72 1.792 15.081 11.261 568 HG23 THR 64 HG23 THR 72 1.514 13.940 12.575 569 H VAL 65 H VAL 73 0.043 12.569 10.195 570 HA VAL 65 HA VAL 73 -0.079 13.126 7.415 571 HB VAL 65 HB VAL 73 -2.083 13.549 9.672 572 HG11 VAL 65 HG11 VAL 73 -3.890 13.625 7.951 573 HG12 VAL 65 HG12 VAL 73 -2.855 15.030 7.850 574 HG13 VAL 65 HG13 VAL 73 -2.682 13.719 6.684 575 HG21 VAL 65 HG21 VAL 73 -3.143 11.473 8.811 576 HG22 VAL 65 HG22 VAL 73 -1.864 11.312 7.612 577 HG23 VAL 65 HG23 VAL 73 -1.494 11.180 9.329 578 H GLY 66 H GLY 74 0.190 14.974 6.295 579 HA2 GLY 66 HA2 GLY 74 -0.037 17.339 5.948 580 HA3 GLY 66 HA3 GLY 74 0.093 17.648 7.649 581 H GLU 67 H GLU 75 2.443 15.750 8.056 582 HA GLU 67 HA GLU 75 4.503 17.671 7.155 583 HB2 GLU 67 HB2 GLU 75 4.635 15.511 9.282 584 HB3 GLU 67 HB3 GLU 75 5.876 16.676 8.921 585 HG2 GLU 67 HG2 GLU 75 4.091 18.516 9.431 586 HG3 GLU 67 HG3 GLU 75 3.112 17.236 10.111 587 H GLU 68 H GLU 76 6.318 17.151 6.101 588 HA GLU 68 HA GLU 76 6.270 15.007 4.236 589 HB2 GLU 68 HB2 GLU 76 8.362 16.000 3.457 590 HB3 GLU 68 HB3 GLU 76 7.137 17.205 3.700 591 HG2 GLU 68 HG2 GLU 76 8.256 17.749 5.979 592 HG3 GLU 68 HG3 GLU 76 9.555 16.677 5.516 593 H CYS 69 H CYS 77 7.060 13.014 4.343 594 HA CYS 69 HA CYS 77 9.127 12.242 6.318 595 HB2 CYS 69 HB2 CYS 77 6.334 11.009 6.069 596 HB3 CYS 69 HB3 CYS 77 7.674 10.170 6.829 597 HG CYS 69 HG CYS 77 6.462 10.936 8.806 598 H GLU 70 H GLU 78 10.169 10.285 5.797 599 HA GLU 70 HA GLU 78 10.259 9.768 2.897 600 HB2 GLU 70 HB2 GLU 78 12.193 10.345 4.831 601 HB3 GLU 70 HB3 GLU 78 12.328 8.617 4.724 602 HG2 GLU 70 HG2 GLU 78 12.697 8.762 2.272 603 HG3 GLU 70 HG3 GLU 78 12.411 10.479 2.305 604 H LEU 71 H LEU 79 9.267 7.988 2.115 605 HA LEU 71 HA LEU 79 8.590 5.714 3.947 606 HB2 LEU 71 HB2 LEU 79 7.228 6.661 1.363 607 HB3 LEU 71 HB3 LEU 79 6.799 5.263 2.294 608 HG LEU 71 HG LEU 79 5.208 6.842 2.820 609 HD11 LEU 71 HD11 LEU 79 5.484 7.397 5.241 610 HD12 LEU 71 HD12 LEU 79 5.758 5.710 4.839 611 HD13 LEU 71 HD13 LEU 79 7.116 6.787 5.190 612 HD21 LEU 71 HD21 LEU 79 5.377 9.043 2.686 613 HD22 LEU 71 HD22 LEU 79 6.584 9.114 3.953 614 HD23 LEU 71 HD23 LEU 79 7.079 8.874 2.283 615 H GLU 72 H GLU 80 9.845 4.010 3.707 616 HA GLU 72 HA GLU 80 11.471 3.555 1.367 617 HB2 GLU 72 HB2 GLU 80 11.960 3.013 3.885 618 HB3 GLU 72 HB3 GLU 80 10.955 1.614 3.652 619 HG2 GLU 72 HG2 GLU 80 12.545 1.038 1.622 620 HG3 GLU 72 HG3 GLU 80 13.580 2.291 2.233 621 H THR 73 H THR 81 11.352 1.737 -0.037 622 HA THR 73 HA THR 81 8.747 0.280 -0.257 623 HB THR 73 HB THR 81 9.219 0.129 -2.642 624 HG1 THR 73 HG1 THR 81 11.052 1.375 -3.456 625 HG21 THR 73 HG21 THR 81 9.033 2.439 -3.412 626 HG22 THR 73 HG22 THR 81 8.046 2.208 -1.973 627 HG23 THR 73 HG23 THR 81 9.582 3.056 -1.860 628 H MET 74 H MET 82 9.259 -1.809 -1.686 629 HA MET 74 HA MET 82 10.617 -3.654 -0.100 630 HB2 MET 74 HB2 MET 82 9.858 -3.826 -3.048 631 HB3 MET 74 HB3 MET 82 10.305 -5.188 -2.062 632 HG2 MET 74 HG2 MET 82 8.332 -4.493 -0.501 633 HG3 MET 74 HG3 MET 82 7.800 -3.471 -1.810 634 HE1 MET 74 HE1 MET 82 6.403 -5.812 -4.438 635 HE2 MET 74 HE2 MET 82 6.213 -4.271 -3.593 636 HE3 MET 74 HE3 MET 82 7.720 -4.629 -4.454 637 H THR 75 H THR 83 11.948 -1.705 -2.723 638 HA THR 75 HA THR 83 14.375 -3.313 -3.047 639 HB THR 75 HB THR 83 14.951 -1.538 -4.681 640 HG1 THR 75 HG1 THR 83 13.346 0.084 -5.081 641 HG21 THR 75 HG21 THR 83 13.161 -1.830 -6.301 642 HG22 THR 75 HG22 THR 83 13.428 -3.356 -5.454 643 HG23 THR 75 HG23 THR 83 12.033 -2.357 -5.052 644 H GLY 76 H GLY 84 13.326 -0.821 -0.887 645 HA2 GLY 76 HA2 GLY 84 14.627 0.009 0.878 646 HA3 GLY 76 HA3 GLY 84 16.110 -0.220 -0.012 647 H GLU 77 H GLU 85 13.947 1.147 -2.250 648 HA GLU 77 HA GLU 85 15.148 3.747 -2.219 649 HB2 GLU 77 HB2 GLU 85 12.743 2.566 -3.680 650 HB3 GLU 77 HB3 GLU 85 13.256 4.195 -3.932 651 HG2 GLU 77 HG2 GLU 85 15.037 1.746 -4.422 652 HG3 GLU 77 HG3 GLU 85 14.085 2.536 -5.655 653 H LYS 78 H LYS 86 14.756 5.312 -0.819 654 HA LYS 78 HA LYS 86 12.063 5.614 0.409 655 HB2 LYS 78 HB2 LYS 86 13.186 6.554 2.334 656 HB3 LYS 78 HB3 LYS 86 13.753 4.956 1.988 657 HG2 LYS 78 HG2 LYS 86 15.816 6.000 0.862 658 HG3 LYS 78 HG3 LYS 86 15.235 7.561 1.356 659 HD2 LYS 78 HD2 LYS 86 16.877 6.899 2.952 660 HD3 LYS 78 HD3 LYS 86 15.334 6.831 3.758 661 HE2 LYS 78 HE2 LYS 86 15.267 4.338 3.509 662 HE3 LYS 78 HE3 LYS 86 16.751 4.378 2.575 663 HZ1 LYS 78 HZ1 LYS 86 17.130 3.816 4.837 664 HZ2 LYS 78 HZ2 LYS 86 17.865 5.254 4.494 665 HZ3 LYS 78 HZ3 LYS 86 16.463 5.230 5.364 666 H VAL 79 H VAL 87 11.016 7.480 0.226 667 HA VAL 79 HA VAL 87 12.222 9.760 -1.226 668 HB VAL 79 HB VAL 87 9.936 9.679 -2.562 669 HG11 VAL 79 HG11 VAL 87 10.988 8.476 -4.423 670 HG12 VAL 79 HG12 VAL 87 12.138 9.557 -3.651 671 HG13 VAL 79 HG13 VAL 87 12.217 7.823 -3.346 672 HG21 VAL 79 HG21 VAL 87 9.023 7.500 -3.088 673 HG22 VAL 79 HG22 VAL 87 10.229 6.673 -2.121 674 HG23 VAL 79 HG23 VAL 87 9.005 7.646 -1.333 675 H LYS 80 H LYS 88 11.611 11.655 -0.440 676 HA LYS 80 HA LYS 88 9.758 11.891 1.716 677 HB2 LYS 80 HB2 LYS 88 11.360 13.914 0.093 678 HB3 LYS 80 HB3 LYS 88 10.092 14.425 1.148 679 HG2 LYS 80 HG2 LYS 88 11.576 14.583 2.741 680 HG3 LYS 80 HG3 LYS 88 11.339 12.879 2.963 681 HD2 LYS 80 HD2 LYS 88 13.318 12.427 1.456 682 HD3 LYS 80 HD3 LYS 88 13.552 14.138 1.269 683 HE2 LYS 80 HE2 LYS 88 13.676 12.677 3.962 684 HE3 LYS 80 HE3 LYS 88 15.073 13.122 3.002 685 HZ1 LYS 80 HZ1 LYS 88 14.636 14.706 4.706 686 HZ2 LYS 80 HZ2 LYS 88 14.440 15.415 3.230 687 HZ3 LYS 80 HZ3 LYS 88 13.121 15.002 4.128 688 H THR 81 H THR 89 7.651 12.262 1.747 689 HA THR 81 HA THR 89 6.324 13.890 -0.213 690 HB THR 81 HB THR 89 6.175 11.677 -1.391 691 HG1 THR 81 HG1 THR 89 3.820 11.592 -1.382 692 HG21 THR 81 HG21 THR 89 4.727 9.861 -0.474 693 HG22 THR 81 HG22 THR 89 6.171 10.073 0.510 694 HG23 THR 81 HG23 THR 89 4.610 10.681 1.064 695 H VAL 82 H VAL 90 4.149 14.406 0.458 696 HA VAL 82 HA VAL 90 3.577 14.031 3.363 697 HB VAL 82 HB VAL 90 2.046 15.908 3.102 698 HG11 VAL 82 HG11 VAL 90 3.665 17.747 2.940 699 HG12 VAL 82 HG12 VAL 90 4.267 16.404 3.887 700 HG13 VAL 82 HG13 VAL 90 4.860 16.653 2.248 701 HG21 VAL 82 HG21 VAL 90 2.069 17.415 1.105 702 HG22 VAL 82 HG22 VAL 90 3.001 16.219 0.218 703 HG23 VAL 82 HG23 VAL 90 1.357 15.861 0.741 704 H VAL 83 H VAL 91 1.465 13.410 3.952 705 HA VAL 83 HA VAL 91 -0.304 12.295 1.826 706 HB VAL 83 HB VAL 91 0.254 11.072 4.567 707 HG11 VAL 83 HG11 VAL 91 -1.066 9.108 3.704 708 HG12 VAL 83 HG12 VAL 91 -2.040 10.553 3.855 709 HG13 VAL 83 HG13 VAL 91 -1.468 10.045 2.268 710 HG21 VAL 83 HG21 VAL 91 1.336 9.154 3.408 711 HG22 VAL 83 HG22 VAL 91 1.263 10.028 1.890 712 HG23 VAL 83 HG23 VAL 91 2.244 10.636 3.215 713 H GLN 84 H GLN 92 -2.292 13.087 1.950 714 HA GLN 84 HA GLN 92 -3.260 14.468 4.427 715 HB2 GLN 84 HB2 GLN 92 -4.005 15.065 1.512 716 HB3 GLN 84 HB3 GLN 92 -4.453 15.982 2.918 717 HG2 GLN 84 HG2 GLN 92 -1.737 15.834 1.583 718 HG3 GLN 84 HG3 GLN 92 -2.764 17.230 1.754 719 HE21 GLN 84 HE21 GLN 92 0.077 16.810 2.494 720 HE22 GLN 84 HE22 GLN 92 0.189 17.214 4.186 721 H LEU 85 H LEU 93 -5.757 14.640 4.325 722 HA LEU 85 HA LEU 93 -6.966 12.091 3.386 723 HB2 LEU 85 HB2 LEU 93 -6.198 12.180 5.827 724 HB3 LEU 85 HB3 LEU 93 -7.434 13.354 6.142 725 HG LEU 85 HG LEU 93 -7.977 10.583 4.958 726 HD11 LEU 85 HD11 LEU 93 -8.706 10.408 7.678 727 HD12 LEU 85 HD12 LEU 93 -7.309 9.686 6.916 728 HD13 LEU 85 HD13 LEU 93 -7.169 11.241 7.709 729 HD21 LEU 85 HD21 LEU 93 -10.249 11.264 6.425 730 HD22 LEU 85 HD22 LEU 93 -9.753 12.804 5.766 731 HD23 LEU 85 HD23 LEU 93 -10.056 11.432 4.696 732 H GLU 86 H GLU 94 -8.819 12.392 2.277 733 HA GLU 86 HA GLU 94 -9.723 15.114 1.773 734 HB2 GLU 86 HB2 GLU 94 -10.848 14.140 -0.139 735 HB3 GLU 86 HB3 GLU 94 -9.199 13.610 -0.066 736 HG2 GLU 86 HG2 GLU 94 -9.920 11.417 0.879 737 HG3 GLU 86 HG3 GLU 94 -11.593 11.915 0.844 738 H GLY 87 H GLY 95 -10.520 13.556 4.361 739 HA2 GLY 87 HA2 GLY 95 -12.262 13.712 5.823 740 HA3 GLY 87 HA3 GLY 95 -13.142 14.700 4.675 741 H ASP 88 H ASP 96 -12.127 11.646 3.337 742 HA ASP 88 HA ASP 96 -14.697 10.299 3.892 743 HB2 ASP 88 HB2 ASP 96 -14.924 11.882 1.886 744 HB3 ASP 88 HB3 ASP 96 -13.709 10.908 1.067 745 H ASN 89 H ASN 97 -12.528 9.501 5.108 746 HA ASN 89 HA ASN 97 -11.105 7.912 5.476 747 HB2 ASN 89 HB2 ASN 97 -12.275 5.477 4.944 748 HB3 ASN 89 HB3 ASN 97 -12.674 6.552 6.219 749 HD21 ASN 89 HD21 ASN 97 -13.903 5.238 3.199 750 HD22 ASN 89 HD22 ASN 97 -15.493 5.945 3.346 751 H LYS 90 H LYS 98 -10.137 9.116 3.268 752 HA LYS 90 HA LYS 98 -8.797 6.999 1.698 753 HB2 LYS 90 HB2 LYS 98 -10.525 9.311 0.733 754 HB3 LYS 90 HB3 LYS 98 -9.280 8.670 -0.305 755 HG2 LYS 90 HG2 LYS 98 -10.352 6.594 -0.555 756 HG3 LYS 90 HG3 LYS 98 -11.387 6.801 0.830 757 HD2 LYS 90 HD2 LYS 98 -12.856 7.155 -0.931 758 HD3 LYS 90 HD3 LYS 98 -12.445 8.783 -0.482 759 HE2 LYS 90 HE2 LYS 98 -10.642 8.728 -2.346 760 HE3 LYS 90 HE3 LYS 98 -11.355 7.209 -2.862 761 HZ1 LYS 90 HZ1 LYS 98 -12.278 9.053 -4.033 762 HZ2 LYS 90 HZ2 LYS 98 -13.456 8.389 -3.079 763 HZ3 LYS 90 HZ3 LYS 98 -12.713 9.799 -2.627 764 H LEU 91 H LEU 99 -6.678 7.456 1.330 765 HA LEU 91 HA LEU 99 -5.636 10.041 2.352 766 HB2 LEU 91 HB2 LEU 99 -4.180 7.397 1.955 767 HB3 LEU 91 HB3 LEU 99 -3.477 8.848 2.559 768 HG LEU 91 HG LEU 99 -5.709 7.318 3.930 769 HD11 LEU 91 HD11 LEU 99 -4.191 6.245 5.284 770 HD12 LEU 91 HD12 LEU 99 -3.232 6.338 3.816 771 HD13 LEU 91 HD13 LEU 99 -2.951 7.483 5.118 772 HD21 LEU 91 HD21 LEU 99 -4.599 8.967 5.883 773 HD22 LEU 91 HD22 LEU 99 -4.597 10.019 4.479 774 HD23 LEU 91 HD23 LEU 99 -6.091 9.265 5.011 775 H VAL 92 H VAL 100 -4.864 11.463 0.941 776 HA VAL 92 HA VAL 100 -4.292 10.674 -1.884 777 HB VAL 92 HB VAL 100 -5.010 13.373 -0.634 778 HG11 VAL 92 HG11 VAL 100 -5.199 14.201 -3.007 779 HG12 VAL 92 HG12 VAL 100 -3.550 13.835 -2.554 780 HG13 VAL 92 HG13 VAL 100 -4.456 12.706 -3.564 781 HG21 VAL 92 HG21 VAL 100 -7.127 13.191 -1.942 782 HG22 VAL 92 HG22 VAL 100 -6.682 11.559 -2.430 783 HG23 VAL 92 HG23 VAL 100 -6.996 11.928 -0.738 784 H THR 93 H THR 101 -2.244 10.962 -2.648 785 HA THR 93 HA THR 101 -0.197 12.516 -1.308 786 HB THR 93 HB THR 101 -0.166 10.754 0.272 787 HG1 THR 93 HG1 THR 101 1.750 9.565 -0.229 788 HG21 THR 93 HG21 THR 101 -0.209 8.361 -0.157 789 HG22 THR 93 HG22 THR 101 -1.615 9.054 -0.891 790 HG23 THR 93 HG23 THR 101 -0.246 8.619 -1.902 791 H THR 94 H THR 102 1.635 12.802 -2.599 792 HA THR 94 HA THR 102 1.824 11.324 -5.146 793 HB THR 94 HB THR 102 1.612 14.381 -5.066 794 HG1 THR 94 HG1 THR 102 -0.331 13.988 -6.248 795 HG21 THR 94 HG21 THR 102 1.401 14.174 -7.567 796 HG22 THR 94 HG22 THR 102 2.967 13.632 -7.010 797 HG23 THR 94 HG23 THR 102 1.741 12.451 -7.447 798 H PHE 95 H PHE 103 3.863 10.947 -5.668 799 HA PHE 95 HA PHE 103 6.100 12.166 -4.188 800 HB2 PHE 95 HB2 PHE 103 6.019 9.928 -6.262 801 HB3 PHE 95 HB3 PHE 103 7.402 10.363 -5.308 802 HD1 PHE 95 HD1 PHE 103 4.154 8.589 -5.199 803 HD2 PHE 95 HD2 PHE 103 7.534 9.921 -2.867 804 HE1 PHE 95 HE1 PHE 103 3.610 6.969 -3.477 805 HE2 PHE 95 HE2 PHE 103 6.912 8.304 -1.115 806 HZ PHE 95 HZ PHE 103 5.009 6.797 -1.431 807 H LYS 96 H LYS 104 8.006 11.749 -6.370 808 HA LYS 96 HA LYS 104 8.061 14.282 -7.602 809 HB2 LYS 96 HB2 LYS 104 9.518 11.666 -8.213 810 HB3 LYS 96 HB3 LYS 104 9.942 13.190 -8.944 811 HG2 LYS 96 HG2 LYS 104 10.512 14.176 -6.773 812 HG3 LYS 96 HG3 LYS 104 9.962 12.757 -5.922 813 HD2 LYS 96 HD2 LYS 104 11.716 11.380 -7.065 814 HD3 LYS 96 HD3 LYS 104 12.291 12.806 -7.891 815 HE2 LYS 96 HE2 LYS 104 12.888 13.871 -5.715 816 HE3 LYS 96 HE3 LYS 104 12.225 12.500 -4.843 817 HZ1 LYS 96 HZ1 LYS 104 14.572 12.333 -5.053 818 HZ2 LYS 96 HZ2 LYS 104 13.853 11.101 -5.879 819 HZ3 LYS 96 HZ3 LYS 104 14.489 12.382 -6.699 820 H ASN 97 H ASN 105 6.791 11.172 -8.768 821 HA ASN 97 HA ASN 105 5.314 12.395 -10.909 822 HB2 ASN 97 HB2 ASN 105 6.401 11.219 -12.796 823 HB3 ASN 97 HB3 ASN 105 7.489 12.336 -12.047 824 HD21 ASN 97 HD21 ASN 105 7.266 9.217 -13.247 825 HD22 ASN 97 HD22 ASN 105 8.668 8.535 -12.466 826 H ILE 98 H ILE 106 5.201 10.432 -8.458 827 HA ILE 98 HA ILE 106 3.543 8.325 -9.783 828 HB ILE 98 HB ILE 106 4.994 8.214 -7.119 829 HG12 ILE 98 HG12 ILE 106 5.652 6.370 -9.380 830 HG13 ILE 98 HG13 ILE 106 6.423 7.922 -9.293 831 HG21 ILE 98 HG21 ILE 106 4.257 5.813 -7.023 832 HG22 ILE 98 HG22 ILE 106 2.907 6.915 -6.939 833 HG23 ILE 98 HG23 ILE 106 3.264 6.084 -8.450 834 HD11 ILE 98 HD11 ILE 106 7.864 6.315 -8.205 835 HD12 ILE 98 HD12 ILE 106 7.239 7.395 -6.965 836 HD13 ILE 98 HD13 ILE 106 6.578 5.769 -7.139 837 H LYS 99 H LYS 107 1.442 8.819 -9.501 838 HA LYS 99 HA LYS 107 0.436 10.385 -7.195 839 HB2 LYS 99 HB2 LYS 107 -0.356 10.794 -9.529 840 HB3 LYS 99 HB3 LYS 107 -0.879 9.141 -9.649 841 HG2 LYS 99 HG2 LYS 107 -2.565 9.570 -7.804 842 HG3 LYS 99 HG3 LYS 107 -2.031 11.234 -7.755 843 HD2 LYS 99 HD2 LYS 107 -2.634 11.405 -10.241 844 HD3 LYS 99 HD3 LYS 107 -3.279 9.786 -10.143 845 HE2 LYS 99 HE2 LYS 107 -4.930 10.555 -8.399 846 HE3 LYS 99 HE3 LYS 107 -4.293 12.187 -8.530 847 HZ1 LYS 99 HZ1 LYS 107 -6.226 11.887 -9.867 848 HZ2 LYS 99 HZ2 LYS 107 -4.928 12.187 -10.839 849 HZ3 LYS 99 HZ3 LYS 107 -5.526 10.656 -10.710 850 H SER 100 H SER 108 -0.908 9.421 -5.584 851 HA SER 100 HA SER 108 -1.510 6.553 -5.709 852 HB2 SER 100 HB2 SER 108 0.599 7.764 -3.899 853 HB3 SER 100 HB3 SER 108 -0.463 6.531 -3.241 854 HG SER 100 HG SER 108 1.401 5.647 -4.160 855 H VAL 101 H VAL 109 -3.471 6.197 -5.002 856 HA VAL 101 HA VAL 109 -4.676 8.010 -2.958 857 HB VAL 101 HB VAL 109 -6.018 6.915 -5.474 858 HG11 VAL 101 HG11 VAL 109 -8.012 8.261 -4.734 859 HG12 VAL 101 HG12 VAL 109 -7.677 6.933 -3.647 860 HG13 VAL 101 HG13 VAL 109 -7.213 8.571 -3.196 861 HG21 VAL 101 HG21 VAL 109 -6.318 9.311 -6.112 862 HG22 VAL 101 HG22 VAL 109 -5.308 9.791 -4.750 863 HG23 VAL 101 HG23 VAL 109 -4.630 8.843 -6.073 864 H THR 102 H THR 110 -4.844 6.763 -1.212 865 HA THR 102 HA THR 110 -5.583 3.893 -1.391 866 HB THR 102 HB THR 110 -4.857 5.647 0.994 867 HG1 THR 102 HG1 THR 110 -2.933 4.338 0.900 868 HG21 THR 102 HG21 THR 110 -4.460 3.477 2.217 869 HG22 THR 102 HG22 THR 110 -6.149 3.735 1.861 870 HG23 THR 102 HG23 THR 110 -5.210 2.611 0.879 871 H GLU 103 H GLU 111 -7.439 3.114 -0.320 872 HA GLU 103 HA GLU 111 -9.490 4.981 0.640 873 HB2 GLU 103 HB2 GLU 111 -9.878 4.750 -1.801 874 HB3 GLU 103 HB3 GLU 111 -9.754 3.026 -1.696 875 HG2 GLU 103 HG2 GLU 111 -11.858 2.873 -0.408 876 HG3 GLU 103 HG3 GLU 111 -11.966 4.615 -0.296 877 H LEU 104 H LEU 112 -10.694 4.231 2.207 878 HA LEU 104 HA LEU 112 -10.595 1.368 3.020 879 HB2 LEU 104 HB2 LEU 112 -9.397 2.648 4.692 880 HB3 LEU 104 HB3 LEU 112 -10.499 3.973 4.576 881 HG LEU 104 HG LEU 112 -12.314 2.571 5.642 882 HD11 LEU 104 HD11 LEU 112 -11.501 0.620 7.007 883 HD12 LEU 104 HD12 LEU 112 -11.496 0.306 5.273 884 HD13 LEU 104 HD13 LEU 112 -9.990 0.662 6.125 885 HD21 LEU 104 HD21 LEU 112 -10.553 2.587 7.858 886 HD22 LEU 104 HD22 LEU 112 -10.108 3.963 6.865 887 HD23 LEU 104 HD23 LEU 112 -11.764 3.777 7.422 888 H ASN 105 H ASN 113 -12.513 0.424 2.789 889 HA ASN 105 HA ASN 113 -15.017 1.956 3.118 890 HB2 ASN 105 HB2 ASN 113 -14.201 0.098 0.820 891 HB3 ASN 105 HB3 ASN 113 -15.854 0.097 1.355 892 HD21 ASN 105 HD21 ASN 113 -13.704 3.005 1.023 893 HD22 ASN 105 HD22 ASN 113 -14.739 3.762 -0.158 894 H GLY 106 H GLY 114 -14.662 1.191 5.327 895 HA2 GLY 106 HA2 GLY 114 -15.255 -0.125 7.084 896 HA3 GLY 106 HA3 GLY 114 -16.141 -1.155 5.972 897 H ASP 107 H ASP 115 -15.350 -3.216 5.696 898 HA ASP 107 HA ASP 115 -12.800 -4.004 6.826 899 HB2 ASP 107 HB2 ASP 115 -13.545 -6.335 5.823 900 HB3 ASP 107 HB3 ASP 115 -14.228 -5.741 7.276 901 H ILE 108 H ILE 116 -13.738 -2.882 3.678 902 HA ILE 108 HA ILE 116 -11.597 -4.457 2.333 903 HB ILE 108 HB ILE 116 -13.741 -2.635 1.159 904 HG12 ILE 108 HG12 ILE 116 -14.944 -4.415 2.156 905 HG13 ILE 108 HG13 ILE 116 -14.931 -4.688 0.450 906 HG21 ILE 108 HG21 ILE 116 -13.224 -3.808 -1.003 907 HG22 ILE 108 HG22 ILE 116 -11.892 -2.834 -0.428 908 HG23 ILE 108 HG23 ILE 116 -11.842 -4.580 -0.234 909 HD11 ILE 108 HD11 ILE 116 -14.454 -6.849 1.223 910 HD12 ILE 108 HD12 ILE 116 -12.795 -6.279 1.093 911 HD13 ILE 108 HD13 ILE 116 -13.615 -6.270 2.653 912 H ILE 109 H ILE 117 -9.752 -3.553 1.677 913 HA ILE 109 HA ILE 117 -9.428 -0.587 1.635 914 HB ILE 109 HB ILE 117 -7.405 -2.838 1.926 915 HG12 ILE 109 HG12 ILE 117 -8.509 -2.379 3.980 916 HG13 ILE 109 HG13 ILE 117 -6.835 -1.931 4.092 917 HG21 ILE 109 HG21 ILE 117 -5.618 -1.064 2.163 918 HG22 ILE 109 HG22 ILE 117 -6.234 -1.223 0.537 919 HG23 ILE 109 HG23 ILE 117 -6.762 0.121 1.542 920 HD11 ILE 109 HD11 ILE 117 -7.964 -0.149 5.179 921 HD12 ILE 109 HD12 ILE 117 -7.760 0.544 3.576 922 HD13 ILE 109 HD13 ILE 117 -9.301 -0.175 4.041 923 H THR 110 H THR 118 -8.802 0.321 -0.263 924 HA THR 110 HA THR 118 -7.947 -1.373 -2.542 925 HB THR 110 HB THR 118 -10.059 0.854 -2.621 926 HG1 THR 110 HG1 THR 118 -10.806 -1.202 -2.104 927 HG21 THR 110 HG21 THR 118 -10.182 0.412 -5.100 928 HG22 THR 110 HG22 THR 118 -8.660 1.154 -4.657 929 HG23 THR 110 HG23 THR 118 -8.728 -0.579 -4.989 930 H ASN 111 H ASN 119 -6.267 -0.426 -3.676 931 HA ASN 111 HA ASN 119 -5.538 2.377 -3.091 932 HB2 ASN 111 HB2 ASN 119 -4.104 1.059 -1.624 933 HB3 ASN 111 HB3 ASN 119 -3.749 -0.082 -2.894 934 HD21 ASN 111 HD21 ASN 119 -3.243 3.393 -1.986 935 HD22 ASN 111 HD22 ASN 119 -1.733 3.531 -2.843 936 H THR 112 H THR 120 -4.795 3.481 -4.843 937 HA THR 112 HA THR 120 -4.447 2.090 -7.451 938 HB THR 112 HB THR 120 -6.144 4.592 -6.916 939 HG1 THR 112 HG1 THR 120 -7.184 2.671 -6.449 940 HG21 THR 112 HG21 THR 120 -6.704 4.472 -9.369 941 HG22 THR 112 HG22 THR 120 -5.011 4.857 -9.126 942 HG23 THR 112 HG23 THR 120 -5.482 3.223 -9.581 943 H MET 113 H MET 121 -2.342 2.393 -7.749 944 HA MET 113 HA MET 121 -1.056 5.022 -7.298 945 HB2 MET 113 HB2 MET 121 0.278 2.405 -8.103 946 HB3 MET 113 HB3 MET 121 1.034 3.849 -7.497 947 HG2 MET 113 HG2 MET 121 -0.160 3.414 -5.257 948 HG3 MET 113 HG3 MET 121 -0.765 1.934 -5.959 949 HE1 MET 113 HE1 MET 121 3.702 2.603 -4.930 950 HE2 MET 113 HE2 MET 121 2.935 3.516 -6.233 951 HE3 MET 113 HE3 MET 121 2.432 3.767 -4.550 952 H THR 114 H THR 122 -0.051 6.074 -9.097 953 HA THR 114 HA THR 122 -0.234 4.818 -11.773 954 HB THR 114 HB THR 122 -1.227 7.636 -11.147 955 HG1 THR 114 HG1 THR 122 -3.109 6.773 -12.193 956 HG21 THR 114 HG21 THR 122 -1.781 7.753 -13.620 957 HG22 THR 114 HG22 THR 122 -0.060 7.805 -13.299 958 HG23 THR 114 HG23 THR 122 -0.793 6.316 -13.872 959 H LEU 115 H LEU 123 1.817 4.621 -12.301 960 HA LEU 115 HA LEU 123 3.724 6.869 -11.853 961 HB2 LEU 115 HB2 LEU 123 4.384 4.963 -10.523 962 HB3 LEU 115 HB3 LEU 123 4.077 3.849 -11.812 963 HG LEU 115 HG LEU 123 5.987 4.555 -13.081 964 HD11 LEU 115 HD11 LEU 123 6.904 6.590 -13.000 965 HD12 LEU 115 HD12 LEU 123 5.920 7.059 -11.630 966 HD13 LEU 115 HD13 LEU 123 7.477 6.308 -11.366 967 HD21 LEU 115 HD21 LEU 123 7.827 3.936 -11.489 968 HD22 LEU 115 HD22 LEU 123 6.662 4.022 -10.170 969 HD23 LEU 115 HD23 LEU 123 6.448 2.848 -11.466 970 H GLY 116 H GLY 124 3.783 7.956 -13.709 971 HA2 GLY 116 HA2 GLY 124 4.128 8.477 -15.892 972 HA3 GLY 116 HA3 GLY 124 4.875 6.902 -16.100 973 H ASP 117 H ASP 125 3.831 5.468 -17.376 974 HA ASP 117 HA ASP 125 1.126 6.053 -18.386 975 HB2 ASP 117 HB2 ASP 125 1.948 4.422 -20.284 976 HB3 ASP 117 HB3 ASP 125 2.458 6.085 -20.214 977 H ILE 118 H ILE 126 2.241 4.150 -15.942 978 HA ILE 118 HA ILE 126 0.338 1.910 -16.538 979 HB ILE 118 HB ILE 126 2.980 1.904 -15.022 980 HG12 ILE 118 HG12 ILE 126 2.177 0.313 -17.491 981 HG13 ILE 118 HG13 ILE 126 3.081 1.792 -17.567 982 HG21 ILE 118 HG21 ILE 126 2.612 -0.579 -14.699 983 HG22 ILE 118 HG22 ILE 126 1.497 0.381 -13.769 984 HG23 ILE 118 HG23 ILE 126 0.965 -0.388 -15.264 985 HD11 ILE 118 HD11 ILE 126 4.937 0.507 -17.479 986 HD12 ILE 118 HD12 ILE 126 4.617 0.339 -15.757 987 HD13 ILE 118 HD13 ILE 126 4.056 -0.893 -16.884 988 H VAL 119 H VAL 127 -1.055 1.273 -14.924 989 HA VAL 119 HA VAL 127 -1.194 2.965 -12.472 990 HB VAL 119 HB VAL 127 -3.506 1.893 -14.147 991 HG11 VAL 119 HG11 VAL 127 -4.983 3.246 -12.702 992 HG12 VAL 119 HG12 VAL 127 -4.142 2.073 -11.716 993 HG13 VAL 119 HG13 VAL 127 -3.619 3.745 -11.718 994 HG21 VAL 119 HG21 VAL 127 -3.997 4.276 -14.686 995 HG22 VAL 119 HG22 VAL 127 -2.479 4.743 -13.932 996 HG23 VAL 119 HG23 VAL 127 -2.477 3.737 -15.373 997 H PHE 120 H PHE 128 -0.148 1.436 -11.137 998 HA PHE 120 HA PHE 128 -1.052 -1.306 -10.903 999 HB2 PHE 120 HB2 PHE 128 1.221 -0.755 -10.430 1000 HB3 PHE 120 HB3 PHE 128 0.802 0.472 -9.283 1001 HD1 PHE 120 HD1 PHE 128 2.036 -0.307 -7.404 1002 HD2 PHE 120 HD2 PHE 128 -0.509 -3.085 -9.498 1003 HE1 PHE 120 HE1 PHE 128 2.434 -2.010 -5.673 1004 HE2 PHE 120 HE2 PHE 128 -0.122 -4.739 -7.748 1005 HZ PHE 120 HZ PHE 128 1.383 -4.226 -5.850 1006 H LYS 121 H LYS 129 -2.687 -2.102 -9.680 1007 HA LYS 121 HA LYS 129 -3.812 -0.432 -7.487 1008 HB2 LYS 121 HB2 LYS 129 -5.230 -2.134 -9.556 1009 HB3 LYS 121 HB3 LYS 129 -6.024 -1.599 -8.113 1010 HG2 LYS 121 HG2 LYS 129 -6.295 0.541 -8.784 1011 HG3 LYS 121 HG3 LYS 129 -4.758 0.666 -9.557 1012 HD2 LYS 121 HD2 LYS 129 -5.569 0.241 -11.609 1013 HD3 LYS 121 HD3 LYS 129 -6.441 -1.165 -11.115 1014 HE2 LYS 121 HE2 LYS 129 -7.481 1.684 -10.674 1015 HE3 LYS 121 HE3 LYS 129 -7.874 0.688 -12.065 1016 HZ1 LYS 121 HZ1 LYS 129 -9.544 0.495 -10.413 1017 HZ2 LYS 121 HZ2 LYS 129 -8.785 -0.956 -10.616 1018 HZ3 LYS 121 HZ3 LYS 129 -8.456 -0.033 -9.290 1019 H ARG 122 H ARG 130 -4.646 -1.526 -5.727 1020 HA ARG 122 HA ARG 130 -4.010 -4.393 -5.379 1021 HB2 ARG 122 HB2 ARG 130 -2.174 -2.500 -4.546 1022 HB3 ARG 122 HB3 ARG 130 -3.250 -2.429 -3.191 1023 HG2 ARG 122 HG2 ARG 130 -1.577 -3.965 -2.661 1024 HG3 ARG 122 HG3 ARG 130 -2.935 -5.015 -2.956 1025 HD2 ARG 122 HD2 ARG 130 -1.812 -5.010 -5.488 1026 HD3 ARG 122 HD3 ARG 130 -0.444 -4.403 -4.584 1027 HE ARG 122 HE ARG 130 -0.786 -6.438 -3.068 1028 HH11 ARG 122 HH11 ARG 130 -0.370 -6.101 -6.539 1029 HH12 ARG 122 HH12 ARG 130 0.428 -7.644 -6.725 1030 HH21 ARG 122 HH21 ARG 130 0.101 -8.523 -3.328 1031 HH22 ARG 122 HH22 ARG 130 0.739 -9.010 -4.873 1032 H ILE 123 H ILE 131 -5.364 -5.441 -3.934 1033 HA ILE 123 HA ILE 131 -7.472 -3.854 -2.564 1034 HB ILE 123 HB ILE 131 -7.921 -6.394 -4.208 1035 HG12 ILE 123 HG12 ILE 131 -9.684 -4.659 -5.296 1036 HG13 ILE 123 HG13 ILE 131 -8.494 -3.496 -4.829 1037 HG21 ILE 123 HG21 ILE 131 -10.338 -6.113 -3.641 1038 HG22 ILE 123 HG22 ILE 131 -9.391 -6.422 -2.211 1039 HG23 ILE 123 HG23 ILE 131 -9.929 -4.782 -2.565 1040 HD11 ILE 123 HD11 ILE 131 -7.954 -4.121 -7.092 1041 HD12 ILE 123 HD12 ILE 131 -6.796 -5.073 -6.178 1042 HD13 ILE 123 HD13 ILE 131 -8.255 -5.828 -6.794 1043 H SER 124 H SER 132 -7.632 -4.436 -0.479 1044 HA SER 124 HA SER 132 -6.747 -7.136 0.408 1045 HB2 SER 124 HB2 SER 132 -5.962 -4.400 1.578 1046 HB3 SER 124 HB3 SER 132 -5.814 -5.896 2.476 1047 HG SER 124 HG SER 132 -3.906 -5.304 1.398 1048 H LYS 125 H LYS 133 -7.702 -7.785 2.483 1049 HA LYS 125 HA LYS 133 -10.155 -6.334 3.263 1050 HB2 LYS 125 HB2 LYS 133 -10.866 -7.991 1.632 1051 HB3 LYS 125 HB3 LYS 133 -10.072 -9.285 2.491 1052 HG2 LYS 125 HG2 LYS 133 -12.162 -7.656 3.950 1053 HG3 LYS 125 HG3 LYS 133 -12.708 -8.729 2.712 1054 HD2 LYS 125 HD2 LYS 133 -10.812 -9.869 4.774 1055 HD3 LYS 125 HD3 LYS 133 -12.422 -9.490 5.307 1056 HE2 LYS 125 HE2 LYS 133 -11.772 -11.302 2.912 1057 HE3 LYS 125 HE3 LYS 133 -12.055 -11.885 4.543 1058 HZ1 LYS 125 HZ1 LYS 133 -14.026 -11.999 3.247 1059 HZ2 LYS 125 HZ2 LYS 133 -14.233 -10.932 4.485 1060 HZ3 LYS 125 HZ3 LYS 133 -13.998 -10.378 2.954 1061 H ARG 126 H ARG 134 -10.786 -6.565 5.339 1062 HA ARG 126 HA ARG 134 -8.768 -6.614 7.191 1063 HB2 ARG 126 HB2 ARG 134 -10.721 -5.229 7.275 1064 HB3 ARG 126 HB3 ARG 134 -11.792 -6.573 7.516 1065 HG2 ARG 126 HG2 ARG 134 -11.072 -6.892 9.769 1066 HG3 ARG 126 HG3 ARG 134 -9.594 -6.010 9.545 1067 HD2 ARG 126 HD2 ARG 134 -11.000 -4.537 10.825 1068 HD3 ARG 126 HD3 ARG 134 -10.821 -3.886 9.221 1069 HE ARG 126 HE ARG 134 -13.010 -4.077 8.795 1070 HH11 ARG 126 HH11 ARG 134 -12.356 -6.160 11.605 1071 HH12 ARG 126 HH12 ARG 134 -14.041 -6.512 11.885 1072 HH21 ARG 126 HH21 ARG 134 -15.203 -4.553 9.177 1073 HH22 ARG 126 HH22 ARG 134 -15.666 -5.548 10.528 1074 H ILE 127 H ILE 135 -8.085 -7.894 8.850 1075 HA ILE 127 HA ILE 135 -8.688 -10.778 8.626 1076 HB ILE 127 HB ILE 135 -6.505 -9.590 10.374 1077 HG12 ILE 127 HG12 ILE 135 -6.205 -10.116 7.406 1078 HG13 ILE 127 HG13 ILE 135 -6.168 -8.562 8.154 1079 HG21 ILE 127 HG21 ILE 135 -5.412 -11.793 9.966 1080 HG22 ILE 127 HG22 ILE 135 -7.021 -12.046 10.585 1081 HG23 ILE 127 HG23 ILE 135 -6.704 -12.252 8.868 1082 HD11 ILE 127 HD11 ILE 135 -3.934 -8.793 8.244 1083 HD12 ILE 127 HD12 ILE 135 -4.173 -9.894 9.586 1084 HD13 ILE 127 HD13 ILE 135 -3.995 -10.532 7.959 1085 H2 2VN 201 H152 DRG 176 0.778 5.052 -1.930 1086 H1 2VN 201 H151 DRG 176 -0.099 6.172 -0.948 1087 H18 2VN 201 H212 DRG 176 -1.953 0.278 1.650 1088 H17 2VN 201 H211 DRG 176 -0.808 -0.855 1.033 1089 H20 2VN 201 H222 DRG 176 0.034 1.865 2.134 1090 H19 2VN 201 H221 DRG 176 -0.201 0.489 3.137 1091 H22 2VN 201 H232 DRG 176 1.668 -0.627 2.550 1092 H21 2VN 201 H231 DRG 176 1.635 -0.103 0.907 1093 H23 2VN 201 H24 DRG 176 2.437 2.088 1.473 1094 H24 2VN 201 H251 DRG 176 4.076 0.372 0.878 1095 H25 2VN 201 H252 DRG 176 4.280 -0.014 2.559 1096 H26 2VN 201 H261 DRG 176 5.210 2.433 1.055 1097 H27 2VN 201 H262 DRG 176 6.063 1.448 2.200 1098 H28 2VN 201 H271 DRG 176 4.352 3.851 2.648 1099 H29 2VN 201 H272 DRG 176 5.732 3.327 3.546 1100 H31 2VN 201 H282 DRG 176 4.354 1.634 4.719 1101 H30 2VN 201 H281 DRG 176 3.665 3.215 4.946 1102 H32 2VN 201 H291 DRG 176 2.091 1.208 4.308 1103 H33 2VN 201 H292 DRG 176 1.790 2.748 3.599 1104 H35 2VN 201 H112 DRG 176 2.660 0.240 -1.276 1105 H34 2VN 201 H111 DRG 176 2.371 -0.482 -2.819 1106 H3 2VN 201 H14 DRG 176 0.224 5.074 0.962 1107 HK6 2VN 201 H7 DRG 176 4.213 -1.950 -1.903 1108 HL7 2VN 201 H6 DRG 176 4.598 -4.218 -1.055 1109 HL8 2VN 201 H8 DRG 176 0.577 -4.349 0.441 1110 HK9 2VN 201 H9 DRG 176 0.184 -2.090 -0.403 1111 HJ2 2VN 201 H43 DRG 176 2.931 -9.318 -1.760 1112 HJ1 2VN 201 H42 DRG 176 1.736 -8.771 -0.595 1113 HJ0 2VN 201 H41 DRG 176 3.400 -9.051 -0.091 1114 HJ4 2VN 201 H32 DRG 176 4.815 -7.838 -2.479 1115 HJ5 2VN 201 H33 DRG 176 4.847 -6.140 -2.055 1116 HJ3 2VN 201 H31 DRG 176 5.287 -7.350 -0.860 1117 H4 2VN 201 H191 DRG 176 2.994 4.079 0.328 1118 H5 2VN 201 H192 DRG 176 2.208 4.171 1.884 1119 H7 2VN 201 H182 DRG 176 4.016 5.942 1.107 1120 H6 2VN 201 H181 DRG 176 2.741 6.368 2.210 1121 H9 2VN 201 H172 DRG 176 3.268 7.892 0.092 1122 H8 2VN 201 H171 DRG 176 1.651 7.698 0.694 1123 H11 2VN 201 H162 DRG 176 2.854 6.044 -1.569 1124 H10 2VN 201 H161 DRG 176 1.785 7.399 -1.822 1125 H14 2VN 201 H122 DRG 176 -0.190 -0.659 -1.930 1126 H13 2VN 201 H121 DRG 176 0.452 0.614 -2.873 1127 H16 2VN 201 H202 DRG 176 -1.638 1.857 -0.047 1128 H15 2VN 201 H201 DRG 176 -1.746 0.323 -0.833 1129 H12 2VN 201 HN2 DRG 176 -0.405 3.048 0.581 Start of MODEL 7 1 H1 HIS -7 H1 HIS 1 -31.047 -6.479 23.519 2 H2 HIS -7 H2 HIS 1 -31.628 -8.010 23.864 3 H3 HIS -7 H3 HIS 1 -30.174 -7.461 24.463 4 HA HIS -7 HA HIS 1 -29.047 -7.655 22.608 5 HB2 HIS -7 HB2 HIS 1 -29.327 -9.891 21.758 6 HB3 HIS -7 HB3 HIS 1 -29.325 -9.763 23.485 7 HD1 HIS -7 HD1 HIS 1 -31.537 -10.394 24.782 8 HD2 HIS -7 HD2 HIS 1 -31.725 -11.027 20.612 9 HE1 HIS -7 HE1 HIS 1 -33.550 -11.832 24.285 10 H HIS -6 H HIS 2 -30.772 -5.536 21.900 11 HA HIS -6 HA HIS 2 -31.302 -5.964 19.068 12 HB2 HIS -6 HB2 HIS 2 -33.481 -5.734 21.066 13 HB3 HIS -6 HB3 HIS 2 -33.515 -4.376 19.993 14 HD1 HIS -6 HD1 HIS 2 -32.997 -8.149 19.397 15 HD2 HIS -6 HD2 HIS 2 -35.239 -4.906 17.893 16 HE1 HIS -6 HE1 HIS 2 -34.471 -8.999 17.520 17 H HIS -5 H HIS 3 -31.179 -4.091 17.872 18 HA HIS -5 HA HIS 3 -30.442 -2.137 17.189 19 HB2 HIS -5 HB2 HIS 3 -31.331 -1.049 19.908 20 HB3 HIS -5 HB3 HIS 3 -31.016 -0.104 18.481 21 HD1 HIS -5 HD1 HIS 3 -32.657 -0.764 16.306 22 HD2 HIS -5 HD2 HIS 3 -34.020 -1.841 20.152 23 HE1 HIS -5 HE1 HIS 3 -35.145 -1.198 16.178 24 H HIS -4 H HIS 4 -28.279 -2.667 16.902 25 HA HIS -4 HA HIS 4 -26.323 -1.420 18.687 26 HB2 HIS -4 HB2 HIS 4 -25.105 -3.594 19.054 27 HB3 HIS -4 HB3 HIS 4 -26.617 -3.483 19.887 28 HD1 HIS -4 HD1 HIS 4 -28.579 -5.049 19.143 29 HD2 HIS -4 HD2 HIS 4 -25.000 -5.690 17.006 30 HE1 HIS -4 HE1 HIS 4 -28.781 -7.242 17.890 31 H HIS -3 H HIS 5 -26.988 -0.639 16.126 32 HA HIS -3 HA HIS 5 -24.481 -1.255 14.643 33 HB2 HIS -3 HB2 HIS 5 -27.334 -1.231 13.535 34 HB3 HIS -3 HB3 HIS 5 -25.919 -1.113 12.525 35 HD1 HIS -3 HD1 HIS 5 -28.172 -3.528 12.839 36 HD2 HIS -3 HD2 HIS 5 -24.084 -3.629 13.874 37 HE1 HIS -3 HE1 HIS 5 -27.414 -5.940 12.869 38 H HIS -2 H HIS 6 -23.717 0.356 13.308 39 HA HIS -2 HA HIS 6 -24.853 2.976 13.092 40 HB2 HIS -2 HB2 HIS 6 -23.061 4.120 14.462 41 HB3 HIS -2 HB3 HIS 6 -24.189 3.231 15.429 42 HD1 HIS -2 HD1 HIS 6 -20.587 3.056 14.195 43 HD2 HIS -2 HD2 HIS 6 -23.058 1.145 17.033 44 HE1 HIS -2 HE1 HIS 6 -19.134 1.600 15.667 45 H VAL -1 H VAL 7 -23.452 4.402 11.850 46 HA VAL -1 HA VAL 7 -21.414 2.979 10.210 47 HB VAL -1 HB VAL 7 -21.634 4.851 8.657 48 HG11 VAL -1 HG11 VAL 7 -23.808 4.263 7.692 49 HG12 VAL -1 HG12 VAL 7 -22.981 2.831 8.291 50 HG13 VAL -1 HG13 VAL 7 -24.316 3.526 9.208 51 HG21 VAL -1 HG21 VAL 7 -23.529 6.471 8.771 52 HG22 VAL -1 HG22 VAL 7 -23.861 5.961 10.420 53 HG23 VAL -1 HG23 VAL 7 -22.340 6.757 10.021 54 H ALA 0 H ALA 8 -19.346 3.695 10.110 55 HA ALA 0 HA ALA 8 -18.337 6.165 11.076 56 HB1 ALA 0 HB1 ALA 8 -17.007 5.198 13.022 57 HB2 ALA 0 HB2 ALA 8 -18.727 5.227 13.353 58 HB3 ALA 0 HB3 ALA 8 -17.947 3.715 12.900 59 H MET 1 H MET 9 -16.132 6.381 10.539 60 HA MET 1 HA MET 9 -14.937 4.150 8.941 61 HB2 MET 1 HB2 MET 9 -14.636 7.144 8.460 62 HB3 MET 1 HB3 MET 9 -13.989 5.856 7.492 63 HG2 MET 1 HG2 MET 9 -16.921 6.633 7.826 64 HG3 MET 1 HG3 MET 9 -15.962 6.813 6.402 65 HE1 MET 1 HE1 MET 9 -15.612 3.000 5.243 66 HE2 MET 1 HE2 MET 9 -15.153 4.652 4.839 67 HE3 MET 1 HE3 MET 9 -14.463 3.862 6.269 68 H SER 2 H SER 10 -13.249 3.318 9.934 69 HA SER 2 HA SER 10 -11.327 5.032 11.375 70 HB2 SER 2 HB2 SER 10 -11.338 3.531 13.306 71 HB3 SER 2 HB3 SER 10 -12.924 4.231 13.085 72 HG SER 2 HG SER 10 -12.959 1.982 13.525 73 H PHE 3 H PHE 11 -9.451 4.735 10.465 74 HA PHE 3 HA PHE 11 -8.819 2.740 8.590 75 HB2 PHE 3 HB2 PHE 11 -7.308 4.879 10.094 76 HB3 PHE 3 HB3 PHE 11 -6.383 3.719 9.228 77 HD1 PHE 3 HD1 PHE 11 -6.602 3.448 6.731 78 HD2 PHE 3 HD2 PHE 11 -8.609 6.619 8.866 79 HE1 PHE 3 HE1 PHE 11 -6.824 4.739 4.647 80 HE2 PHE 3 HE2 PHE 11 -8.801 7.882 6.765 81 HZ PHE 3 HZ PHE 11 -7.874 6.962 4.671 82 H SER 4 H SER 12 -8.316 2.728 12.085 83 HA SER 4 HA SER 12 -6.217 0.946 12.293 84 HB2 SER 4 HB2 SER 12 -6.883 0.803 14.653 85 HB3 SER 4 HB3 SER 12 -6.970 2.450 14.075 86 HG SER 4 HG SER 12 -8.790 1.813 15.318 87 H GLY 5 H GLY 13 -5.911 -1.189 12.306 88 HA2 GLY 5 HA2 GLY 13 -7.149 -3.367 13.063 89 HA3 GLY 5 HA3 GLY 13 -8.158 -3.032 11.657 90 H LYS 6 H LYS 14 -6.707 -5.369 11.756 91 HA LYS 6 HA LYS 14 -4.445 -5.045 9.887 92 HB2 LYS 6 HB2 LYS 14 -5.381 -7.257 11.739 93 HB3 LYS 6 HB3 LYS 14 -4.708 -7.731 10.225 94 HG2 LYS 6 HG2 LYS 14 -2.777 -5.960 10.895 95 HG3 LYS 6 HG3 LYS 14 -3.259 -6.465 12.488 96 HD2 LYS 6 HD2 LYS 14 -2.402 -8.267 10.170 97 HD3 LYS 6 HD3 LYS 14 -1.375 -7.779 11.484 98 HE2 LYS 6 HE2 LYS 14 -2.750 -9.036 13.113 99 HE3 LYS 6 HE3 LYS 14 -3.916 -9.452 11.872 100 HZ1 LYS 6 HZ1 LYS 14 -2.388 -11.214 12.245 101 HZ2 LYS 6 HZ2 LYS 14 -2.200 -10.639 10.711 102 HZ3 LYS 6 HZ3 LYS 14 -1.100 -10.255 11.878 103 H TYR 7 H TYR 15 -4.358 -5.872 7.857 104 HA TYR 7 HA TYR 15 -6.800 -7.032 6.651 105 HB2 TYR 7 HB2 TYR 15 -5.159 -4.747 5.439 106 HB3 TYR 7 HB3 TYR 15 -6.536 -5.526 4.714 107 HD1 TYR 7 HD1 TYR 15 -5.470 -3.303 7.511 108 HD2 TYR 7 HD2 TYR 15 -8.791 -4.786 5.196 109 HE1 TYR 7 HE1 TYR 15 -6.959 -1.620 8.565 110 HE2 TYR 7 HE2 TYR 15 -10.269 -3.095 6.234 111 HH TYR 7 HH TYR 15 -10.433 -1.342 7.726 112 H GLN 8 H GLN 16 -6.423 -8.409 4.908 113 HA GLN 8 HA GLN 16 -3.598 -9.283 4.467 114 HB2 GLN 8 HB2 GLN 16 -4.387 -11.524 4.311 115 HB3 GLN 8 HB3 GLN 16 -4.989 -10.862 5.784 116 HG2 GLN 8 HG2 GLN 16 -7.126 -10.365 3.996 117 HG3 GLN 8 HG3 GLN 16 -6.453 -11.836 3.362 118 HE21 GLN 8 HE21 GLN 16 -8.847 -10.725 5.276 119 HE22 GLN 8 HE22 GLN 16 -9.009 -12.060 6.391 120 H LEU 9 H LEU 17 -3.017 -9.866 2.367 121 HA LEU 9 HA LEU 17 -4.156 -8.205 0.374 122 HB2 LEU 9 HB2 LEU 17 -1.732 -8.802 0.831 123 HB3 LEU 9 HB3 LEU 17 -2.017 -10.366 0.179 124 HG LEU 9 HG LEU 17 -1.186 -7.996 -1.024 125 HD11 LEU 9 HD11 LEU 17 -0.385 -9.271 -2.734 126 HD12 LEU 9 HD12 LEU 17 -0.674 -10.519 -1.564 127 HD13 LEU 9 HD13 LEU 17 -1.832 -10.260 -2.865 128 HD21 LEU 9 HD21 LEU 17 -2.474 -7.342 -2.842 129 HD22 LEU 9 HD22 LEU 17 -3.623 -8.654 -2.671 130 HD23 LEU 9 HD23 LEU 17 -3.581 -7.322 -1.504 131 H GLN 10 H GLN 18 -5.737 -8.597 -1.055 132 HA GLN 10 HA GLN 18 -6.823 -11.337 -1.341 133 HB2 GLN 10 HB2 GLN 18 -7.968 -8.593 -2.048 134 HB3 GLN 10 HB3 GLN 18 -8.787 -10.096 -2.325 135 HG2 GLN 10 HG2 GLN 18 -7.967 -9.047 0.434 136 HG3 GLN 10 HG3 GLN 18 -9.556 -8.921 -0.269 137 HE21 GLN 10 HE21 GLN 18 -7.475 -10.879 1.624 138 HE22 GLN 10 HE22 GLN 18 -8.489 -12.299 1.694 139 H SER 11 H SER 19 -6.032 -8.507 -3.478 140 HA SER 11 HA SER 19 -5.027 -10.220 -5.579 141 HB2 SER 11 HB2 SER 19 -7.537 -10.527 -5.832 142 HB3 SER 11 HB3 SER 19 -7.723 -8.794 -5.980 143 HG SER 11 HG SER 19 -7.651 -9.835 -7.990 144 H GLN 12 H GLN 20 -4.299 -8.983 -7.448 145 HA GLN 12 HA GLN 20 -3.968 -6.064 -7.067 146 HB2 GLN 12 HB2 GLN 20 -1.671 -7.889 -7.953 147 HB3 GLN 12 HB3 GLN 20 -1.650 -6.181 -7.657 148 HG2 GLN 12 HG2 GLN 20 -0.691 -6.714 -5.692 149 HG3 GLN 12 HG3 GLN 20 -2.312 -6.989 -5.133 150 HE21 GLN 12 HE21 GLN 20 0.765 -8.325 -5.281 151 HE22 GLN 12 HE22 GLN 20 0.373 -10.016 -5.166 152 H GLU 13 H GLU 21 -3.836 -4.942 -9.016 153 HA GLU 13 HA GLU 21 -4.069 -6.458 -11.590 154 HB2 GLU 13 HB2 GLU 21 -5.402 -3.852 -10.778 155 HB3 GLU 13 HB3 GLU 21 -5.443 -4.524 -12.381 156 HG2 GLU 13 HG2 GLU 21 -6.739 -6.498 -11.527 157 HG3 GLU 13 HG3 GLU 21 -6.694 -5.836 -9.906 158 H ASN 14 H ASN 22 -2.711 -5.746 -13.171 159 HA ASN 14 HA ASN 22 -0.883 -4.992 -14.068 160 HB2 ASN 14 HB2 ASN 22 -1.836 -2.322 -12.908 161 HB3 ASN 14 HB3 ASN 22 -0.464 -2.407 -13.967 162 HD21 ASN 14 HD21 ASN 22 -3.323 -1.268 -14.217 163 HD22 ASN 14 HD22 ASN 22 -3.773 -1.784 -15.825 164 H PHE 15 H PHE 23 -0.575 -6.207 -11.470 165 HA PHE 15 HA PHE 23 1.428 -4.936 -9.910 166 HB2 PHE 15 HB2 PHE 23 0.066 -6.785 -9.066 167 HB3 PHE 15 HB3 PHE 23 0.736 -7.893 -10.227 168 HD1 PHE 15 HD1 PHE 23 1.338 -6.066 -7.058 169 HD2 PHE 15 HD2 PHE 23 3.144 -8.680 -9.984 170 HE1 PHE 15 HE1 PHE 23 3.243 -6.437 -5.573 171 HE2 PHE 15 HE2 PHE 23 5.033 -9.017 -8.455 172 HZ PHE 15 HZ PHE 23 5.083 -7.913 -6.258 173 H GLU 16 H GLU 24 1.792 -7.608 -12.341 174 HA GLU 16 HA GLU 24 4.594 -7.449 -12.450 175 HB2 GLU 16 HB2 GLU 24 2.724 -8.445 -14.637 176 HB3 GLU 16 HB3 GLU 24 4.431 -8.757 -14.498 177 HG2 GLU 16 HG2 GLU 24 3.853 -9.858 -12.179 178 HG3 GLU 16 HG3 GLU 24 2.189 -9.784 -12.686 179 H ALA 17 H ALA 25 2.136 -5.720 -14.412 180 HA ALA 17 HA ALA 25 3.841 -4.625 -16.359 181 HB1 ALA 17 HB1 ALA 25 1.984 -2.961 -16.659 182 HB2 ALA 17 HB2 ALA 25 1.381 -4.609 -16.552 183 HB3 ALA 17 HB3 ALA 25 1.240 -3.528 -15.170 184 H PHE 18 H PHE 26 2.831 -3.255 -13.183 185 HA PHE 18 HA PHE 26 4.397 -0.876 -13.376 186 HB2 PHE 18 HB2 PHE 26 2.400 -1.005 -12.049 187 HB3 PHE 18 HB3 PHE 26 3.019 -2.311 -11.075 188 HD1 PHE 18 HD1 PHE 26 3.006 1.330 -11.602 189 HD2 PHE 18 HD2 PHE 26 4.825 -1.878 -9.364 190 HE1 PHE 18 HE1 PHE 26 3.919 2.943 -9.972 191 HE2 PHE 18 HE2 PHE 26 5.768 -0.229 -7.795 192 HZ PHE 18 HZ PHE 26 5.316 2.173 -8.106 193 H MET 19 H MET 27 4.989 -4.043 -11.762 194 HA MET 19 HA MET 27 7.389 -3.242 -10.486 195 HB2 MET 19 HB2 MET 27 6.401 -6.038 -11.097 196 HB3 MET 19 HB3 MET 27 7.697 -5.599 -10.007 197 HG2 MET 19 HG2 MET 27 5.081 -4.285 -9.373 198 HG3 MET 19 HG3 MET 27 5.120 -6.014 -9.244 199 HE1 MET 19 HE1 MET 27 6.735 -3.032 -6.272 200 HE2 MET 19 HE2 MET 27 6.774 -2.684 -8.007 201 HE3 MET 19 HE3 MET 27 5.229 -3.006 -7.199 202 H LYS 20 H LYS 28 6.826 -4.862 -13.673 203 HA LYS 20 HA LYS 28 9.618 -5.139 -14.308 204 HB2 LYS 20 HB2 LYS 28 7.046 -5.273 -15.964 205 HB3 LYS 20 HB3 LYS 28 8.562 -5.079 -16.739 206 HG2 LYS 20 HG2 LYS 28 8.721 -7.234 -16.886 207 HG3 LYS 20 HG3 LYS 28 9.341 -7.176 -15.272 208 HD2 LYS 20 HD2 LYS 28 7.108 -7.783 -14.364 209 HD3 LYS 20 HD3 LYS 28 6.405 -7.683 -15.957 210 HE2 LYS 20 HE2 LYS 28 7.800 -9.575 -16.759 211 HE3 LYS 20 HE3 LYS 28 8.636 -9.658 -15.225 212 HZ1 LYS 20 HZ1 LYS 28 6.944 -11.285 -15.382 213 HZ2 LYS 20 HZ2 LYS 28 6.561 -10.226 -14.180 214 HZ3 LYS 20 HZ3 LYS 28 5.767 -10.164 -15.619 215 H ALA 21 H ALA 29 7.263 -2.470 -14.682 216 HA ALA 21 HA ALA 29 8.864 -0.930 -16.476 217 HB1 ALA 21 HB1 ALA 29 7.197 0.874 -15.957 218 HB2 ALA 21 HB2 ALA 29 6.465 -0.652 -16.417 219 HB3 ALA 21 HB3 ALA 29 6.486 -0.161 -14.723 220 H ILE 22 H ILE 30 8.667 -0.962 -12.886 221 HA ILE 22 HA ILE 30 10.547 1.268 -12.648 222 HB ILE 22 HB ILE 30 10.581 0.773 -10.268 223 HG12 ILE 22 HG12 ILE 30 8.574 -1.438 -10.727 224 HG13 ILE 22 HG13 ILE 30 10.250 -1.745 -10.394 225 HG21 ILE 22 HG21 ILE 30 8.307 1.503 -9.752 226 HG22 ILE 22 HG22 ILE 30 8.861 2.276 -11.224 227 HG23 ILE 22 HG23 ILE 30 7.724 0.933 -11.311 228 HD11 ILE 22 HD11 ILE 30 9.182 -1.932 -8.265 229 HD12 ILE 22 HD12 ILE 30 9.930 -0.346 -8.212 230 HD13 ILE 22 HD13 ILE 30 8.199 -0.504 -8.518 231 H GLY 23 H GLY 31 10.898 -2.022 -13.456 232 HA2 GLY 23 HA2 GLY 31 12.861 -2.824 -14.323 233 HA3 GLY 23 HA3 GLY 31 13.805 -1.637 -13.458 234 H LEU 24 H LEU 32 11.463 -3.689 -11.638 235 HA LEU 24 HA LEU 32 13.566 -4.880 -10.094 236 HB2 LEU 24 HB2 LEU 32 10.574 -5.467 -10.337 237 HB3 LEU 24 HB3 LEU 32 11.581 -6.356 -9.250 238 HG LEU 24 HG LEU 32 11.207 -3.354 -9.111 239 HD11 LEU 24 HD11 LEU 32 9.871 -4.075 -6.964 240 HD12 LEU 24 HD12 LEU 32 9.114 -4.224 -8.540 241 HD13 LEU 24 HD13 LEU 32 9.769 -5.649 -7.746 242 HD21 LEU 24 HD21 LEU 32 12.806 -3.238 -7.524 243 HD22 LEU 24 HD22 LEU 32 12.146 -4.607 -6.639 244 HD23 LEU 24 HD23 LEU 32 13.292 -4.876 -7.913 245 HA PRO 25 HA PRO 33 14.276 -8.602 -12.540 246 HB2 PRO 25 HB2 PRO 33 15.142 -10.358 -10.618 247 HB3 PRO 25 HB3 PRO 33 16.080 -8.955 -11.106 248 HG2 PRO 25 HG2 PRO 33 14.217 -9.178 -8.738 249 HG3 PRO 25 HG3 PRO 33 15.890 -8.632 -8.704 250 HD2 PRO 25 HD2 PRO 33 13.817 -6.882 -8.811 251 HD3 PRO 25 HD3 PRO 33 15.287 -6.538 -9.734 252 H GLU 26 H GLU 34 13.196 -10.484 -13.158 253 HA GLU 26 HA GLU 34 10.490 -10.657 -12.593 254 HB2 GLU 26 HB2 GLU 34 11.469 -11.308 -14.697 255 HB3 GLU 26 HB3 GLU 34 12.360 -12.611 -13.962 256 HG2 GLU 26 HG2 GLU 34 10.260 -13.853 -13.489 257 HG3 GLU 26 HG3 GLU 34 9.297 -12.491 -14.025 258 H GLU 27 H GLU 35 13.092 -12.390 -10.896 259 HA GLU 27 HA GLU 35 11.472 -14.370 -9.682 260 HB2 GLU 27 HB2 GLU 35 13.886 -14.540 -9.799 261 HB3 GLU 27 HB3 GLU 35 14.101 -13.112 -8.824 262 HG2 GLU 27 HG2 GLU 35 13.137 -14.270 -6.836 263 HG3 GLU 27 HG3 GLU 35 12.720 -15.658 -7.817 264 H LEU 28 H LEU 36 12.294 -11.048 -8.584 265 HA LEU 28 HA LEU 36 10.869 -11.126 -6.103 266 HB2 LEU 28 HB2 LEU 36 12.066 -8.968 -7.868 267 HB3 LEU 28 HB3 LEU 36 10.949 -8.500 -6.634 268 HG LEU 28 HG LEU 36 12.257 -9.522 -4.878 269 HD11 LEU 28 HD11 LEU 36 14.838 -10.002 -5.777 270 HD12 LEU 28 HD12 LEU 36 13.649 -11.230 -5.397 271 HD13 LEU 28 HD13 LEU 36 13.887 -10.719 -7.057 272 HD21 LEU 28 HD21 LEU 36 13.303 -7.549 -4.620 273 HD22 LEU 28 HD22 LEU 36 14.400 -7.829 -5.963 274 HD23 LEU 28 HD23 LEU 36 12.825 -7.131 -6.255 275 H ILE 29 H ILE 37 9.863 -10.585 -9.433 276 HA ILE 29 HA ILE 37 7.323 -9.356 -8.771 277 HB ILE 29 HB ILE 37 8.424 -10.493 -11.370 278 HG12 ILE 29 HG12 ILE 37 8.066 -7.605 -10.581 279 HG13 ILE 29 HG13 ILE 37 9.558 -8.416 -10.308 280 HG21 ILE 29 HG21 ILE 37 6.589 -9.174 -12.506 281 HG22 ILE 29 HG22 ILE 37 5.990 -10.535 -11.591 282 HG23 ILE 29 HG23 ILE 37 5.859 -8.904 -10.933 283 HD11 ILE 29 HD11 ILE 37 10.242 -7.969 -12.398 284 HD12 ILE 29 HD12 ILE 37 8.914 -8.885 -13.075 285 HD13 ILE 29 HD13 ILE 37 8.717 -7.167 -12.733 286 H GLN 30 H GLN 38 8.408 -12.615 -9.955 287 HA GLN 30 HA GLN 38 5.795 -13.728 -9.959 288 HB2 GLN 30 HB2 GLN 38 8.552 -15.051 -9.906 289 HB3 GLN 30 HB3 GLN 38 7.068 -15.942 -10.065 290 HG2 GLN 30 HG2 GLN 38 8.254 -14.007 -12.087 291 HG3 GLN 30 HG3 GLN 38 7.981 -15.710 -12.274 292 HE21 GLN 30 HE21 GLN 38 6.776 -12.611 -12.915 293 HE22 GLN 30 HE22 GLN 38 5.125 -13.028 -13.326 294 H LYS 31 H LYS 39 8.303 -13.736 -7.371 295 HA LYS 31 HA LYS 39 6.635 -15.273 -5.572 296 HB2 LYS 31 HB2 LYS 39 8.325 -14.870 -3.932 297 HB3 LYS 31 HB3 LYS 39 9.096 -15.220 -5.444 298 HG2 LYS 31 HG2 LYS 39 10.399 -13.421 -4.907 299 HG3 LYS 31 HG3 LYS 39 9.115 -12.542 -5.657 300 HD2 LYS 31 HD2 LYS 39 8.983 -11.289 -3.811 301 HD3 LYS 31 HD3 LYS 39 8.189 -12.624 -3.034 302 HE2 LYS 31 HE2 LYS 39 11.215 -12.156 -2.993 303 HE3 LYS 31 HE3 LYS 39 10.114 -11.731 -1.703 304 HZ1 LYS 31 HZ1 LYS 39 11.161 -13.818 -1.299 305 HZ2 LYS 31 HZ2 LYS 39 9.537 -14.040 -1.481 306 HZ3 LYS 31 HZ3 LYS 39 10.568 -14.449 -2.701 307 H GLY 32 H GLY 40 6.762 -11.859 -6.465 308 HA2 GLY 32 HA2 GLY 40 5.636 -10.770 -4.046 309 HA3 GLY 32 HA3 GLY 40 5.792 -9.991 -5.608 310 H LYS 33 H LYS 41 4.252 -11.859 -7.211 311 HA LYS 33 HA LYS 41 1.510 -11.222 -6.365 312 HB2 LYS 33 HB2 LYS 41 0.889 -11.960 -8.626 313 HB3 LYS 33 HB3 LYS 41 2.015 -10.660 -8.602 314 HG2 LYS 33 HG2 LYS 41 3.467 -11.755 -9.890 315 HG3 LYS 33 HG3 LYS 41 3.605 -13.068 -8.770 316 HD2 LYS 33 HD2 LYS 41 1.485 -12.828 -10.945 317 HD3 LYS 33 HD3 LYS 41 2.952 -13.763 -11.052 318 HE2 LYS 33 HE2 LYS 41 2.195 -15.192 -9.121 319 HE3 LYS 33 HE3 LYS 41 0.678 -14.305 -9.075 320 HZ1 LYS 33 HZ1 LYS 41 0.499 -16.299 -10.338 321 HZ2 LYS 33 HZ2 LYS 41 0.274 -14.997 -11.327 322 HZ3 LYS 33 HZ3 LYS 41 1.699 -15.823 -11.364 323 H ASP 34 H ASP 42 3.625 -14.074 -6.536 324 HA ASP 34 HA ASP 42 1.504 -16.004 -6.330 325 HB2 ASP 34 HB2 ASP 42 3.692 -16.605 -7.326 326 HB3 ASP 34 HB3 ASP 42 4.489 -16.263 -5.804 327 H ILE 35 H ILE 43 3.961 -14.801 -3.951 328 HA ILE 35 HA ILE 43 2.581 -16.070 -1.716 329 HB ILE 35 HB ILE 43 4.927 -14.112 -1.707 330 HG12 ILE 35 HG12 ILE 43 5.647 -15.999 -3.002 331 HG13 ILE 35 HG13 ILE 43 6.422 -16.047 -1.457 332 HG21 ILE 35 HG21 ILE 43 5.455 -15.041 0.536 333 HG22 ILE 35 HG22 ILE 43 3.937 -14.174 0.514 334 HG23 ILE 35 HG23 ILE 43 3.937 -15.932 0.517 335 HD11 ILE 35 HD11 ILE 43 5.773 -18.308 -1.938 336 HD12 ILE 35 HD12 ILE 43 4.569 -17.787 -0.769 337 HD13 ILE 35 HD13 ILE 43 4.173 -17.840 -2.487 338 H LYS 36 H LYS 44 0.896 -15.170 -0.716 339 HA LYS 36 HA LYS 44 0.259 -12.355 -1.070 340 HB2 LYS 36 HB2 LYS 44 -1.206 -14.792 -0.078 341 HB3 LYS 36 HB3 LYS 44 -1.688 -13.262 0.586 342 HG2 LYS 36 HG2 LYS 44 -3.088 -13.719 -1.296 343 HG3 LYS 36 HG3 LYS 44 -2.161 -12.284 -1.559 344 HD2 LYS 36 HD2 LYS 44 -0.520 -13.841 -2.947 345 HD3 LYS 36 HD3 LYS 44 -1.806 -15.007 -2.876 346 HE2 LYS 36 HE2 LYS 44 -1.909 -12.221 -4.139 347 HE3 LYS 36 HE3 LYS 44 -1.922 -13.755 -4.980 348 HZ1 LYS 36 HZ1 LYS 44 -4.091 -12.812 -4.825 349 HZ2 LYS 36 HZ2 LYS 44 -4.041 -14.228 -3.980 350 HZ3 LYS 36 HZ3 LYS 44 -4.029 -12.786 -3.182 351 H GLY 37 H GLY 45 0.463 -10.766 0.343 352 HA2 GLY 37 HA2 GLY 45 2.025 -11.214 2.829 353 HA3 GLY 37 HA3 GLY 45 1.799 -9.718 1.944 354 H VAL 38 H VAL 46 1.492 -9.355 4.430 355 HA VAL 38 HA VAL 46 -1.407 -8.988 4.960 356 HB VAL 38 HB VAL 46 0.773 -9.901 6.902 357 HG11 VAL 38 HG11 VAL 46 -0.962 -9.784 8.725 358 HG12 VAL 38 HG12 VAL 46 -0.427 -8.213 8.175 359 HG13 VAL 38 HG13 VAL 46 -1.982 -8.845 7.640 360 HG21 VAL 38 HG21 VAL 46 -0.775 -11.777 7.409 361 HG22 VAL 38 HG22 VAL 46 -1.887 -11.190 6.176 362 HG23 VAL 38 HG23 VAL 46 -0.287 -11.775 5.727 363 H SER 39 H SER 47 -1.881 -6.957 5.947 364 HA SER 39 HA SER 47 0.337 -5.042 6.284 365 HB2 SER 39 HB2 SER 47 -0.262 -5.055 3.846 366 HB3 SER 39 HB3 SER 47 -1.908 -4.613 4.258 367 HG SER 39 HG SER 47 -0.526 -2.836 3.736 368 H GLU 40 H GLU 48 0.010 -4.387 8.297 369 HA GLU 40 HA GLU 48 -2.672 -4.032 9.431 370 HB2 GLU 40 HB2 GLU 48 -0.634 -5.044 10.665 371 HB3 GLU 40 HB3 GLU 48 0.043 -3.441 10.586 372 HG2 GLU 40 HG2 GLU 48 -1.722 -2.486 11.988 373 HG3 GLU 40 HG3 GLU 48 -2.525 -4.026 12.091 374 H ILE 41 H ILE 49 -3.504 -2.082 10.167 375 HA ILE 41 HA ILE 49 -2.134 0.454 9.382 376 HB ILE 41 HB ILE 49 -5.148 -0.072 9.401 377 HG12 ILE 41 HG12 ILE 49 -3.252 -0.138 7.065 378 HG13 ILE 41 HG13 ILE 49 -4.275 -1.421 7.586 379 HG21 ILE 41 HG21 ILE 49 -5.240 2.133 8.200 380 HG22 ILE 41 HG22 ILE 49 -4.477 2.323 9.761 381 HG23 ILE 41 HG23 ILE 49 -3.493 2.244 8.302 382 HD11 ILE 41 HD11 ILE 49 -5.480 -0.637 5.758 383 HD12 ILE 41 HD12 ILE 49 -6.267 0.281 7.038 384 HD13 ILE 41 HD13 ILE 49 -5.042 1.044 6.024 385 H VAL 42 H VAL 50 -1.976 1.877 11.086 386 HA VAL 42 HA VAL 50 -3.736 1.566 13.458 387 HB VAL 42 HB VAL 50 -0.690 1.696 13.584 388 HG11 VAL 42 HG11 VAL 50 -0.961 1.537 16.073 389 HG12 VAL 42 HG12 VAL 50 -1.575 3.047 15.449 390 HG13 VAL 42 HG13 VAL 50 -2.695 1.760 15.881 391 HG21 VAL 42 HG21 VAL 50 -0.824 -0.478 14.809 392 HG22 VAL 42 HG22 VAL 50 -2.529 -0.583 14.376 393 HG23 VAL 42 HG23 VAL 50 -1.282 -0.581 13.128 394 H GLN 43 H GLN 51 -4.819 3.456 13.022 395 HA GLN 43 HA GLN 51 -3.368 5.996 12.694 396 HB2 GLN 43 HB2 GLN 51 -5.514 5.596 11.554 397 HB3 GLN 43 HB3 GLN 51 -6.318 5.323 13.077 398 HG2 GLN 43 HG2 GLN 51 -5.787 7.715 13.760 399 HG3 GLN 43 HG3 GLN 51 -5.021 7.966 12.209 400 HE21 GLN 43 HE21 GLN 51 -7.467 9.187 13.573 401 HE22 GLN 43 HE22 GLN 51 -8.732 9.045 12.380 402 H ASN 44 H ASN 52 -3.010 7.481 14.338 403 HA ASN 44 HA ASN 52 -4.188 7.106 16.977 404 HB2 ASN 44 HB2 ASN 52 -2.072 7.045 18.196 405 HB3 ASN 44 HB3 ASN 52 -2.298 5.625 17.226 406 HD21 ASN 44 HD21 ASN 52 -1.058 5.521 15.065 407 HD22 ASN 44 HD22 ASN 52 0.535 6.234 15.077 408 H GLY 45 H GLY 53 -5.279 8.899 15.990 409 HA2 GLY 45 HA2 GLY 53 -5.776 11.132 16.052 410 HA3 GLY 45 HA3 GLY 53 -4.285 11.445 16.928 411 H LYS 46 H LYS 54 -3.055 12.865 15.796 412 HA LYS 46 HA LYS 54 -3.157 13.272 12.982 413 HB2 LYS 46 HB2 LYS 54 -1.857 14.465 15.351 414 HB3 LYS 46 HB3 LYS 54 -0.749 14.424 14.039 415 HG2 LYS 46 HG2 LYS 54 -3.518 15.670 13.867 416 HG3 LYS 46 HG3 LYS 54 -2.034 16.531 14.168 417 HD2 LYS 46 HD2 LYS 54 -1.165 15.678 11.903 418 HD3 LYS 46 HD3 LYS 54 -2.735 15.000 11.607 419 HE2 LYS 46 HE2 LYS 54 -2.674 17.113 10.473 420 HE3 LYS 46 HE3 LYS 54 -3.753 17.317 11.839 421 HZ1 LYS 46 HZ1 LYS 54 -2.230 19.130 11.616 422 HZ2 LYS 46 HZ2 LYS 54 -1.924 18.334 13.028 423 HZ3 LYS 46 HZ3 LYS 54 -0.928 18.124 11.731 424 H HIS 47 H HIS 55 -1.035 11.287 15.043 425 HA HIS 47 HA HIS 55 0.797 10.635 12.878 426 HB2 HIS 47 HB2 HIS 55 0.649 10.165 15.800 427 HB3 HIS 47 HB3 HIS 55 1.130 8.735 14.943 428 HD1 HIS 47 HD1 HIS 55 3.044 9.500 12.830 429 HD2 HIS 47 HD2 HIS 55 3.035 11.430 16.582 430 HE1 HIS 47 HE1 HIS 55 5.324 10.515 13.207 431 H PHE 48 H PHE 56 1.170 8.531 12.061 432 HA PHE 48 HA PHE 56 -1.101 6.662 11.991 433 HB2 PHE 48 HB2 PHE 56 -1.230 8.734 10.271 434 HB3 PHE 48 HB3 PHE 56 0.015 7.883 9.429 435 HD1 PHE 48 HD1 PHE 56 -3.522 8.149 10.091 436 HD2 PHE 48 HD2 PHE 56 -0.497 5.377 8.739 437 HE1 PHE 48 HE1 PHE 56 -5.253 6.727 9.071 438 HE2 PHE 48 HE2 PHE 56 -2.260 3.983 7.763 439 HZ PHE 48 HZ PHE 56 -4.611 4.656 7.891 440 H LYS 49 H LYS 57 -0.295 4.673 11.976 441 HA LYS 49 HA LYS 57 2.512 4.100 11.167 442 HB2 LYS 49 HB2 LYS 57 0.848 3.449 13.529 443 HB3 LYS 49 HB3 LYS 57 1.408 1.997 12.781 444 HG2 LYS 49 HG2 LYS 57 3.260 4.249 13.626 445 HG3 LYS 49 HG3 LYS 57 2.833 2.886 14.621 446 HD2 LYS 49 HD2 LYS 57 3.703 1.420 12.578 447 HD3 LYS 49 HD3 LYS 57 4.494 2.879 12.081 448 HE2 LYS 49 HE2 LYS 57 4.905 1.418 14.733 449 HE3 LYS 49 HE3 LYS 57 6.043 1.505 13.406 450 HZ1 LYS 49 HZ1 LYS 57 6.589 3.021 15.154 451 HZ2 LYS 49 HZ2 LYS 57 6.222 3.868 13.792 452 HZ3 LYS 49 HZ3 LYS 57 5.139 3.789 15.023 453 H PHE 50 H PHE 58 2.897 2.133 10.085 454 HA PHE 50 HA PHE 58 0.701 0.483 9.102 455 HB2 PHE 50 HB2 PHE 58 1.922 2.582 7.473 456 HB3 PHE 50 HB3 PHE 58 2.440 1.069 6.830 457 HD1 PHE 50 HD1 PHE 58 -0.200 3.456 6.865 458 HD2 PHE 50 HD2 PHE 58 0.576 -0.756 6.333 459 HE1 PHE 50 HE1 PHE 58 -2.274 3.220 5.550 460 HE2 PHE 50 HE2 PHE 58 -1.521 -0.944 5.035 461 HZ PHE 50 HZ PHE 58 -2.906 1.034 4.614 462 H THR 51 H THR 59 1.410 -1.621 8.683 463 HA THR 51 HA THR 59 4.320 -2.243 8.983 464 HB THR 51 HB THR 59 2.013 -3.588 10.455 465 HG1 THR 51 HG1 THR 59 2.935 -2.780 12.276 466 HG21 THR 51 HG21 THR 59 3.642 -4.941 11.649 467 HG22 THR 51 HG22 THR 59 3.691 -5.309 9.938 468 HG23 THR 51 HG23 THR 59 4.934 -4.289 10.660 469 H ILE 52 H ILE 60 4.643 -2.833 6.875 470 HA ILE 52 HA ILE 60 2.734 -4.604 5.467 471 HB ILE 52 HB ILE 60 5.230 -3.113 4.560 472 HG12 ILE 52 HG12 ILE 60 2.363 -2.627 3.682 473 HG13 ILE 52 HG13 ILE 60 3.075 -1.776 5.015 474 HG21 ILE 52 HG21 ILE 60 4.555 -3.785 2.195 475 HG22 ILE 52 HG22 ILE 60 5.121 -5.129 3.149 476 HG23 ILE 52 HG23 ILE 60 3.397 -4.907 2.893 477 HD11 ILE 52 HD11 ILE 60 4.027 -0.275 3.625 478 HD12 ILE 52 HD12 ILE 60 4.936 -1.525 2.799 479 HD13 ILE 52 HD13 ILE 60 3.320 -1.105 2.245 480 H THR 53 H THR 61 3.002 -6.725 5.756 481 HA THR 53 HA THR 61 5.680 -7.950 6.216 482 HB THR 53 HB THR 61 2.820 -8.948 6.657 483 HG1 THR 53 HG1 THR 61 3.567 -8.967 8.841 484 HG21 THR 53 HG21 THR 61 3.868 -10.917 7.833 485 HG22 THR 53 HG22 THR 61 4.143 -10.950 6.105 486 HG23 THR 53 HG23 THR 61 5.437 -10.445 7.185 487 H ALA 54 H ALA 62 6.596 -8.790 4.381 488 HA ALA 54 HA ALA 62 5.188 -10.518 2.602 489 HB1 ALA 54 HB1 ALA 62 5.459 -9.095 0.515 490 HB2 ALA 54 HB2 ALA 62 4.258 -8.447 1.607 491 HB3 ALA 54 HB3 ALA 62 5.855 -7.712 1.531 492 H GLY 55 H GLY 63 6.542 -11.476 1.016 493 HA2 GLY 55 HA2 GLY 63 8.461 -12.089 -0.044 494 HA3 GLY 55 HA3 GLY 63 9.341 -10.751 0.676 495 H SER 56 H SER 64 10.045 -10.988 2.959 496 HA SER 56 HA SER 64 9.962 -13.545 4.290 497 HB2 SER 56 HB2 SER 64 12.349 -14.053 4.195 498 HB3 SER 56 HB3 SER 64 11.752 -13.962 2.560 499 HG SER 56 HG SER 64 13.733 -12.835 2.920 500 H LYS 57 H LYS 65 9.535 -10.431 4.633 501 HA LYS 57 HA LYS 65 10.531 -10.265 7.349 502 HB2 LYS 57 HB2 LYS 65 11.963 -8.271 6.971 503 HB3 LYS 57 HB3 LYS 65 12.562 -9.684 6.191 504 HG2 LYS 57 HG2 LYS 65 12.950 -8.039 4.624 505 HG3 LYS 57 HG3 LYS 65 11.561 -8.838 3.984 506 HD2 LYS 57 HD2 LYS 65 10.861 -6.529 5.734 507 HD3 LYS 57 HD3 LYS 65 11.914 -6.069 4.445 508 HE2 LYS 57 HE2 LYS 65 9.259 -7.535 4.023 509 HE3 LYS 57 HE3 LYS 65 9.459 -5.812 3.900 510 HZ1 LYS 57 HZ1 LYS 65 9.570 -6.843 1.782 511 HZ2 LYS 57 HZ2 LYS 65 11.022 -6.142 2.129 512 HZ3 LYS 57 HZ3 LYS 65 10.849 -7.777 2.236 513 H VAL 58 H VAL 66 10.178 -7.821 8.099 514 HA VAL 58 HA VAL 66 7.518 -6.893 7.144 515 HB VAL 58 HB VAL 66 8.405 -7.059 10.069 516 HG11 VAL 58 HG11 VAL 66 6.044 -6.469 10.570 517 HG12 VAL 58 HG12 VAL 66 6.838 -5.190 9.671 518 HG13 VAL 58 HG13 VAL 66 5.724 -6.272 8.848 519 HG21 VAL 58 HG21 VAL 66 6.593 -8.797 10.337 520 HG22 VAL 58 HG22 VAL 66 6.501 -8.900 8.581 521 HG23 VAL 58 HG23 VAL 66 7.978 -9.352 9.418 522 H ILE 59 H ILE 67 7.579 -4.784 6.632 523 HA ILE 59 HA ILE 67 9.724 -3.012 7.740 524 HB ILE 59 HB ILE 67 8.176 -2.973 5.130 525 HG12 ILE 59 HG12 ILE 67 11.172 -2.710 5.586 526 HG13 ILE 59 HG13 ILE 67 10.402 -4.253 5.433 527 HG21 ILE 59 HG21 ILE 67 9.266 -0.774 4.558 528 HG22 ILE 59 HG22 ILE 67 8.095 -0.609 5.835 529 HG23 ILE 59 HG23 ILE 67 9.816 -0.629 6.220 530 HD11 ILE 59 HD11 ILE 67 11.053 -3.872 3.212 531 HD12 ILE 59 HD12 ILE 67 9.405 -3.242 3.163 532 HD13 ILE 59 HD13 ILE 67 10.773 -2.142 3.309 533 H GLN 60 H GLN 68 9.091 -1.448 9.073 534 HA GLN 60 HA GLN 68 6.211 -0.692 9.241 535 HB2 GLN 60 HB2 GLN 68 8.342 -0.590 11.425 536 HB3 GLN 60 HB3 GLN 68 6.684 -0.107 11.581 537 HG2 GLN 60 HG2 GLN 68 6.075 -2.191 12.175 538 HG3 GLN 60 HG3 GLN 68 6.541 -2.797 10.615 539 HE21 GLN 60 HE21 GLN 68 8.438 -4.087 10.448 540 HE22 GLN 60 HE22 GLN 68 9.440 -4.465 11.822 541 H ASN 61 H ASN 69 5.745 1.405 8.895 542 HA ASN 61 HA ASN 69 7.872 3.457 9.013 543 HB2 ASN 61 HB2 ASN 69 5.870 3.005 6.719 544 HB3 ASN 61 HB3 ASN 69 6.642 4.540 6.999 545 HD21 ASN 61 HD21 ASN 69 6.964 1.735 5.226 546 HD22 ASN 61 HD22 ASN 69 8.643 1.902 4.798 547 H GLU 62 H GLU 70 7.155 5.426 9.768 548 HA GLU 62 HA GLU 70 4.305 5.780 10.448 549 HB2 GLU 62 HB2 GLU 70 5.418 4.941 12.456 550 HB3 GLU 62 HB3 GLU 70 6.671 6.141 12.331 551 HG2 GLU 62 HG2 GLU 70 5.065 7.954 12.819 552 HG3 GLU 62 HG3 GLU 70 3.715 6.841 12.736 553 H PHE 63 H PHE 71 3.571 7.837 10.359 554 HA PHE 63 HA PHE 71 5.270 10.117 9.738 555 HB2 PHE 63 HB2 PHE 71 4.320 10.490 7.513 556 HB3 PHE 63 HB3 PHE 71 5.073 8.927 7.525 557 HD1 PHE 63 HD1 PHE 71 1.891 10.742 7.182 558 HD2 PHE 63 HD2 PHE 71 3.626 6.819 7.662 559 HE1 PHE 63 HE1 PHE 71 -0.250 9.696 6.570 560 HE2 PHE 63 HE2 PHE 71 1.470 5.812 7.066 561 HZ PHE 63 HZ PHE 71 -0.457 7.243 6.485 562 H THR 64 H THR 72 4.122 12.073 9.994 563 HA THR 64 HA THR 72 1.387 11.922 11.155 564 HB THR 64 HB THR 72 3.304 14.279 10.836 565 HG1 THR 64 HG1 THR 72 4.076 12.879 12.336 566 HG21 THR 64 HG21 THR 72 1.835 15.429 12.510 567 HG22 THR 64 HG22 THR 72 1.038 15.188 10.967 568 HG23 THR 64 HG23 THR 72 0.663 14.127 12.325 569 H VAL 65 H VAL 73 -0.382 12.761 10.089 570 HA VAL 65 HA VAL 73 -0.303 13.044 7.246 571 HB VAL 65 HB VAL 73 -2.480 13.691 9.280 572 HG11 VAL 65 HG11 VAL 73 -4.104 13.584 7.396 573 HG12 VAL 65 HG12 VAL 73 -3.021 14.940 7.193 574 HG13 VAL 65 HG13 VAL 73 -2.777 13.471 6.248 575 HG21 VAL 65 HG21 VAL 73 -3.477 11.526 8.553 576 HG22 VAL 65 HG22 VAL 73 -2.086 11.228 7.517 577 HG23 VAL 65 HG23 VAL 73 -1.894 11.289 9.267 578 H GLY 66 H GLY 74 0.674 14.722 6.302 579 HA2 GLY 66 HA2 GLY 74 0.507 16.984 5.551 580 HA3 GLY 66 HA3 GLY 74 0.135 17.546 7.167 581 H GLU 67 H GLU 75 2.619 15.257 7.622 582 HA GLU 67 HA GLU 75 4.757 17.309 7.339 583 HB2 GLU 67 HB2 GLU 75 5.726 16.510 9.165 584 HB3 GLU 67 HB3 GLU 75 4.152 15.924 9.558 585 HG2 GLU 67 HG2 GLU 75 4.837 13.640 8.588 586 HG3 GLU 67 HG3 GLU 75 6.449 14.281 8.357 587 H GLU 68 H GLU 76 6.635 16.849 6.219 588 HA GLU 68 HA GLU 76 6.492 14.811 4.107 589 HB2 GLU 68 HB2 GLU 76 8.470 15.958 3.229 590 HB3 GLU 68 HB3 GLU 76 7.124 17.027 3.431 591 HG2 GLU 68 HG2 GLU 76 8.201 17.879 5.607 592 HG3 GLU 68 HG3 GLU 76 9.602 16.901 5.232 593 H CYS 69 H CYS 77 7.433 12.880 4.256 594 HA CYS 69 HA CYS 77 9.761 12.395 5.979 595 HB2 CYS 69 HB2 CYS 77 6.998 11.202 6.479 596 HB3 CYS 69 HB3 CYS 77 8.399 10.185 6.728 597 HG CYS 69 HG CYS 77 7.525 11.195 8.980 598 H GLU 70 H GLU 78 10.877 10.507 5.500 599 HA GLU 70 HA GLU 78 10.683 9.745 2.681 600 HB2 GLU 70 HB2 GLU 78 12.766 10.621 4.028 601 HB3 GLU 70 HB3 GLU 78 12.871 9.004 4.651 602 HG2 GLU 70 HG2 GLU 78 13.144 8.076 2.376 603 HG3 GLU 70 HG3 GLU 78 12.818 9.640 1.668 604 H LEU 71 H LEU 79 9.603 7.961 2.106 605 HA LEU 71 HA LEU 79 8.903 5.923 4.168 606 HB2 LEU 71 HB2 LEU 79 7.563 6.884 1.602 607 HB3 LEU 71 HB3 LEU 79 6.985 5.520 2.517 608 HG LEU 71 HG LEU 79 7.263 8.323 3.664 609 HD11 LEU 71 HD11 LEU 79 5.224 8.925 2.965 610 HD12 LEU 71 HD12 LEU 79 5.383 7.650 1.762 611 HD13 LEU 71 HD13 LEU 79 4.506 7.356 3.245 612 HD21 LEU 71 HD21 LEU 79 5.405 6.985 5.264 613 HD22 LEU 71 HD22 LEU 79 6.581 5.728 4.921 614 HD23 LEU 71 HD23 LEU 79 7.092 7.244 5.653 615 H GLU 72 H GLU 80 9.981 4.082 4.068 616 HA GLU 72 HA GLU 80 11.468 3.258 1.731 617 HB2 GLU 72 HB2 GLU 80 12.277 3.032 4.093 618 HB3 GLU 72 HB3 GLU 80 11.008 1.887 4.417 619 HG2 GLU 72 HG2 GLU 80 11.990 0.402 2.558 620 HG3 GLU 72 HG3 GLU 80 13.322 1.518 2.435 621 H THR 73 H THR 81 10.922 1.817 0.205 622 HA THR 73 HA THR 81 8.359 0.351 0.290 623 HB THR 73 HB THR 81 8.747 -0.074 -2.029 624 HG1 THR 73 HG1 THR 81 10.712 0.640 -3.056 625 HG21 THR 73 HG21 THR 81 8.954 2.112 -3.090 626 HG22 THR 73 HG22 THR 81 7.987 2.246 -1.626 627 HG23 THR 73 HG23 THR 81 9.654 2.810 -1.637 628 H MET 74 H MET 82 8.469 -1.925 -0.620 629 HA MET 74 HA MET 82 9.874 -3.705 1.011 630 HB2 MET 74 HB2 MET 82 8.712 -4.227 -1.741 631 HB3 MET 74 HB3 MET 82 8.991 -5.423 -0.512 632 HG2 MET 74 HG2 MET 82 7.273 -4.416 0.951 633 HG3 MET 74 HG3 MET 82 6.984 -3.126 -0.192 634 HE1 MET 74 HE1 MET 82 5.276 -4.811 -3.226 635 HE2 MET 74 HE2 MET 82 5.875 -3.314 -2.506 636 HE3 MET 74 HE3 MET 82 7.004 -4.539 -3.108 637 H THR 75 H THR 83 10.902 -2.254 -2.011 638 HA THR 75 HA THR 83 12.955 -4.210 -2.652 639 HB THR 75 HB THR 83 13.304 -2.899 -4.594 640 HG1 THR 75 HG1 THR 83 12.382 -0.782 -4.825 641 HG21 THR 75 HG21 THR 83 11.121 -2.546 -5.630 642 HG22 THR 75 HG22 THR 83 11.051 -4.008 -4.643 643 HG23 THR 75 HG23 THR 83 10.315 -2.514 -4.074 644 H GLY 76 H GLY 84 12.760 -1.459 -0.573 645 HA2 GLY 76 HA2 GLY 84 14.462 -0.832 0.910 646 HA3 GLY 76 HA3 GLY 84 15.714 -1.343 -0.202 647 H GLU 77 H GLU 85 13.531 0.303 -2.171 648 HA GLU 77 HA GLU 85 15.040 2.760 -2.328 649 HB2 GLU 77 HB2 GLU 85 12.355 1.880 -3.487 650 HB3 GLU 77 HB3 GLU 85 13.131 3.377 -3.898 651 HG2 GLU 77 HG2 GLU 85 15.039 2.234 -4.916 652 HG3 GLU 77 HG3 GLU 85 14.490 0.673 -4.376 653 H LYS 78 H LYS 86 14.609 4.752 -1.391 654 HA LYS 78 HA LYS 86 12.060 5.155 0.033 655 HB2 LYS 78 HB2 LYS 86 13.137 5.853 2.072 656 HB3 LYS 78 HB3 LYS 86 13.566 4.220 1.688 657 HG2 LYS 78 HG2 LYS 86 15.804 5.042 0.804 658 HG3 LYS 78 HG3 LYS 86 15.363 6.662 1.265 659 HD2 LYS 78 HD2 LYS 86 16.794 5.751 2.978 660 HD3 LYS 78 HD3 LYS 86 15.202 5.973 3.649 661 HE2 LYS 78 HE2 LYS 86 14.727 3.523 3.428 662 HE3 LYS 78 HE3 LYS 86 16.276 3.276 2.643 663 HZ1 LYS 78 HZ1 LYS 86 16.286 2.728 4.948 664 HZ2 LYS 78 HZ2 LYS 86 17.333 3.975 4.665 665 HZ3 LYS 78 HZ3 LYS 86 15.869 4.261 5.376 666 H VAL 79 H VAL 87 11.277 7.140 -0.043 667 HA VAL 79 HA VAL 87 12.785 9.352 -1.269 668 HB VAL 79 HB VAL 87 10.814 9.625 -2.897 669 HG11 VAL 79 HG11 VAL 87 11.768 8.236 -4.648 670 HG12 VAL 79 HG12 VAL 87 13.059 8.934 -3.676 671 HG13 VAL 79 HG13 VAL 87 12.613 7.243 -3.472 672 HG21 VAL 79 HG21 VAL 87 9.546 7.649 -3.612 673 HG22 VAL 79 HG22 VAL 87 10.278 6.665 -2.358 674 HG23 VAL 79 HG23 VAL 87 9.207 7.988 -1.924 675 H LYS 80 H LYS 88 12.028 11.338 -0.700 676 HA LYS 80 HA LYS 88 10.151 11.521 1.469 677 HB2 LYS 80 HB2 LYS 88 11.739 13.612 -0.083 678 HB3 LYS 80 HB3 LYS 88 10.536 14.034 1.090 679 HG2 LYS 80 HG2 LYS 88 12.077 13.958 2.676 680 HG3 LYS 80 HG3 LYS 88 11.916 12.246 2.613 681 HD2 LYS 80 HD2 LYS 88 14.236 12.546 2.479 682 HD3 LYS 80 HD3 LYS 88 13.782 12.212 0.837 683 HE2 LYS 80 HE2 LYS 88 15.371 14.060 0.839 684 HE3 LYS 80 HE3 LYS 88 13.821 14.694 0.322 685 HZ1 LYS 80 HZ1 LYS 88 14.868 16.100 1.925 686 HZ2 LYS 80 HZ2 LYS 88 13.478 15.487 2.563 687 HZ3 LYS 80 HZ3 LYS 88 14.938 14.882 3.034 688 H THR 81 H THR 89 8.135 12.163 1.579 689 HA THR 81 HA THR 89 6.684 13.477 -0.516 690 HB THR 81 HB THR 89 6.621 11.240 -1.523 691 HG1 THR 81 HG1 THR 89 4.286 10.800 -1.163 692 HG21 THR 81 HG21 THR 89 5.678 9.257 -0.415 693 HG22 THR 81 HG22 THR 89 7.061 9.798 0.522 694 HG23 THR 81 HG23 THR 89 5.425 10.151 1.075 695 H VAL 82 H VAL 90 4.619 14.144 0.197 696 HA VAL 82 HA VAL 90 4.128 14.004 3.137 697 HB VAL 82 HB VAL 90 3.022 15.861 0.971 698 HG11 VAL 82 HG11 VAL 90 2.072 17.194 2.907 699 HG12 VAL 82 HG12 VAL 90 1.279 15.652 2.686 700 HG13 VAL 82 HG13 VAL 90 2.460 15.854 3.977 701 HG21 VAL 82 HG21 VAL 90 4.307 17.654 2.034 702 HG22 VAL 82 HG22 VAL 90 4.919 16.537 3.244 703 HG23 VAL 82 HG23 VAL 90 5.407 16.373 1.556 704 H VAL 83 H VAL 91 2.272 13.040 3.872 705 HA VAL 83 HA VAL 91 0.311 11.954 1.892 706 HB VAL 83 HB VAL 91 0.823 11.071 4.761 707 HG11 VAL 83 HG11 VAL 91 -0.625 9.089 4.107 708 HG12 VAL 83 HG12 VAL 91 -1.506 10.603 4.135 709 HG13 VAL 83 HG13 VAL 91 -0.991 9.912 2.597 710 HG21 VAL 83 HG21 VAL 91 1.795 9.002 3.855 711 HG22 VAL 83 HG22 VAL 91 1.679 9.622 2.215 712 HG23 VAL 83 HG23 VAL 91 2.759 10.381 3.381 713 H GLN 84 H GLN 92 -1.584 12.906 1.846 714 HA GLN 84 HA GLN 92 -2.562 14.506 4.154 715 HB2 GLN 84 HB2 GLN 92 -2.311 15.133 1.207 716 HB3 GLN 84 HB3 GLN 92 -3.777 15.658 1.957 717 HG2 GLN 84 HG2 GLN 92 -1.001 16.382 3.025 718 HG3 GLN 84 HG3 GLN 92 -1.954 17.394 1.966 719 HE21 GLN 84 HE21 GLN 92 -1.287 16.749 5.230 720 HE22 GLN 84 HE22 GLN 92 -2.657 17.571 5.930 721 H LEU 85 H LEU 93 -4.865 14.700 4.335 722 HA LEU 85 HA LEU 93 -6.326 12.284 3.381 723 HB2 LEU 85 HB2 LEU 93 -5.377 12.250 5.725 724 HB3 LEU 85 HB3 LEU 93 -6.430 13.550 6.175 725 HG LEU 85 HG LEU 93 -7.432 10.908 5.023 726 HD11 LEU 85 HD11 LEU 93 -7.021 9.769 6.905 727 HD12 LEU 85 HD12 LEU 93 -6.067 11.112 7.500 728 HD13 LEU 85 HD13 LEU 93 -7.754 10.988 7.929 729 HD21 LEU 85 HD21 LEU 93 -9.408 11.832 6.785 730 HD22 LEU 85 HD22 LEU 93 -8.835 13.296 6.016 731 HD23 LEU 85 HD23 LEU 93 -9.420 11.941 5.042 732 H GLU 86 H GLU 94 -8.154 12.765 2.330 733 HA GLU 86 HA GLU 94 -8.926 15.534 1.957 734 HB2 GLU 86 HB2 GLU 94 -10.234 14.643 0.102 735 HB3 GLU 86 HB3 GLU 94 -8.604 14.054 0.066 736 HG2 GLU 86 HG2 GLU 94 -9.342 11.866 1.025 737 HG3 GLU 86 HG3 GLU 94 -10.994 12.429 1.105 738 H GLY 87 H GLY 95 -9.719 13.896 4.533 739 HA2 GLY 87 HA2 GLY 95 -11.374 14.141 6.087 740 HA3 GLY 87 HA3 GLY 95 -12.252 15.206 5.007 741 H ASP 88 H ASP 96 -11.503 12.216 3.444 742 HA ASP 88 HA ASP 96 -14.068 10.924 4.141 743 HB2 ASP 88 HB2 ASP 96 -14.469 12.577 2.240 744 HB3 ASP 88 HB3 ASP 96 -13.255 11.736 1.310 745 H ASN 89 H ASN 97 -12.092 9.819 5.213 746 HA ASN 89 HA ASN 97 -10.841 8.061 5.448 747 HB2 ASN 89 HB2 ASN 97 -12.156 5.875 4.856 748 HB3 ASN 89 HB3 ASN 97 -12.862 7.081 5.868 749 HD21 ASN 89 HD21 ASN 97 -12.975 5.841 2.501 750 HD22 ASN 89 HD22 ASN 97 -14.590 6.428 2.191 751 H LYS 90 H LYS 98 -9.678 9.365 3.275 752 HA LYS 90 HA LYS 98 -8.440 7.191 1.692 753 HB2 LYS 90 HB2 LYS 98 -9.791 9.739 0.707 754 HB3 LYS 90 HB3 LYS 98 -8.690 8.865 -0.310 755 HG2 LYS 90 HG2 LYS 98 -10.173 7.084 -0.659 756 HG3 LYS 90 HG3 LYS 98 -11.096 7.381 0.780 757 HD2 LYS 90 HD2 LYS 98 -11.815 9.631 -0.326 758 HD3 LYS 90 HD3 LYS 98 -11.132 8.994 -1.792 759 HE2 LYS 90 HE2 LYS 98 -12.725 7.144 -1.828 760 HE3 LYS 90 HE3 LYS 98 -13.285 7.506 -0.202 761 HZ1 LYS 90 HZ1 LYS 98 -14.753 8.328 -1.888 762 HZ2 LYS 90 HZ2 LYS 98 -14.170 9.550 -0.953 763 HZ3 LYS 90 HZ3 LYS 98 -13.574 9.322 -2.478 764 H LEU 91 H LEU 99 -6.273 7.577 1.256 765 HA LEU 91 HA LEU 99 -5.087 10.122 2.268 766 HB2 LEU 91 HB2 LEU 99 -3.868 7.327 2.207 767 HB3 LEU 91 HB3 LEU 99 -2.992 8.765 2.582 768 HG LEU 91 HG LEU 99 -5.360 7.747 4.180 769 HD11 LEU 91 HD11 LEU 99 -4.007 6.341 5.277 770 HD12 LEU 91 HD12 LEU 99 -2.707 6.708 4.158 771 HD13 LEU 91 HD13 LEU 99 -2.850 7.603 5.652 772 HD21 LEU 91 HD21 LEU 99 -3.938 9.497 5.851 773 HD22 LEU 91 HD22 LEU 99 -3.887 10.311 4.298 774 HD23 LEU 91 HD23 LEU 99 -5.424 9.840 4.994 775 H VAL 92 H VAL 100 -4.251 11.380 0.760 776 HA VAL 92 HA VAL 100 -3.555 10.310 -1.937 777 HB VAL 92 HB VAL 100 -4.211 13.141 -0.992 778 HG11 VAL 92 HG11 VAL 100 -4.227 13.747 -3.434 779 HG12 VAL 92 HG12 VAL 100 -2.624 13.347 -2.860 780 HG13 VAL 92 HG13 VAL 100 -3.535 12.172 -3.810 781 HG21 VAL 92 HG21 VAL 100 -6.257 12.915 -2.408 782 HG22 VAL 92 HG22 VAL 100 -5.861 11.226 -2.702 783 HG23 VAL 92 HG23 VAL 100 -6.255 11.776 -1.079 784 H THR 93 H THR 101 -1.482 10.467 -2.625 785 HA THR 93 HA THR 101 0.561 12.111 -1.407 786 HB THR 93 HB THR 101 0.649 10.534 0.330 787 HG1 THR 93 HG1 THR 101 2.473 9.206 -0.076 788 HG21 THR 93 HG21 THR 101 0.626 8.036 0.066 789 HG22 THR 93 HG22 THR 101 -0.890 8.779 -0.376 790 HG23 THR 93 HG23 THR 101 0.211 8.256 -1.635 791 H THR 94 H THR 102 2.493 12.153 -2.664 792 HA THR 94 HA THR 102 2.653 10.484 -5.072 793 HB THR 94 HB THR 102 2.402 13.542 -5.182 794 HG1 THR 94 HG1 THR 102 0.466 12.372 -5.150 795 HG21 THR 94 HG21 THR 102 2.638 13.316 -7.682 796 HG22 THR 94 HG22 THR 102 4.133 12.940 -6.857 797 HG23 THR 94 HG23 THR 102 3.120 11.639 -7.477 798 H PHE 95 H PHE 103 4.699 9.955 -5.453 799 HA PHE 95 HA PHE 103 6.887 10.969 -3.903 800 HB2 PHE 95 HB2 PHE 103 6.847 9.207 -6.396 801 HB3 PHE 95 HB3 PHE 103 8.224 9.418 -5.352 802 HD1 PHE 95 HD1 PHE 103 7.054 9.092 -2.609 803 HD2 PHE 95 HD2 PHE 103 6.312 6.946 -6.284 804 HE1 PHE 95 HE1 PHE 103 6.515 7.059 -1.346 805 HE2 PHE 95 HE2 PHE 103 5.730 4.954 -4.983 806 HZ PHE 95 HZ PHE 103 5.847 4.997 -2.526 807 H LYS 96 H LYS 104 6.714 10.851 -7.472 808 HA LYS 96 HA LYS 104 7.630 13.658 -7.743 809 HB2 LYS 96 HB2 LYS 104 8.938 11.156 -8.913 810 HB3 LYS 96 HB3 LYS 104 9.226 12.737 -9.566 811 HG2 LYS 96 HG2 LYS 104 10.623 13.398 -7.909 812 HG3 LYS 96 HG3 LYS 104 9.720 12.650 -6.636 813 HD2 LYS 96 HD2 LYS 104 10.608 10.398 -7.330 814 HD3 LYS 96 HD3 LYS 104 11.577 11.183 -8.555 815 HE2 LYS 96 HE2 LYS 104 12.792 12.476 -6.783 816 HE3 LYS 96 HE3 LYS 104 11.791 11.737 -5.545 817 HZ1 LYS 96 HZ1 LYS 104 13.873 10.632 -5.761 818 HZ2 LYS 96 HZ2 LYS 104 12.653 9.606 -6.181 819 HZ3 LYS 96 HZ3 LYS 104 13.594 10.291 -7.349 820 H ASN 97 H ASN 105 6.364 10.671 -9.271 821 HA ASN 97 HA ASN 105 4.505 12.166 -10.939 822 HB2 ASN 97 HB2 ASN 105 5.358 11.308 -13.068 823 HB3 ASN 97 HB3 ASN 105 6.569 12.276 -12.294 824 HD21 ASN 97 HD21 ASN 105 6.222 9.534 -14.073 825 HD22 ASN 97 HD22 ASN 105 7.627 8.652 -13.532 826 H ILE 98 H ILE 106 4.481 10.133 -8.711 827 HA ILE 98 HA ILE 106 2.859 8.010 -10.038 828 HB ILE 98 HB ILE 106 4.506 7.735 -7.483 829 HG12 ILE 98 HG12 ILE 106 5.637 5.897 -9.055 830 HG13 ILE 98 HG13 ILE 106 5.104 6.945 -10.328 831 HG21 ILE 98 HG21 ILE 106 3.890 5.322 -7.637 832 HG22 ILE 98 HG22 ILE 106 2.459 6.303 -7.464 833 HG23 ILE 98 HG23 ILE 106 2.879 5.660 -9.038 834 HD11 ILE 98 HD11 ILE 106 7.140 7.959 -10.010 835 HD12 ILE 98 HD12 ILE 106 6.426 8.743 -8.610 836 HD13 ILE 98 HD13 ILE 106 7.348 7.259 -8.414 837 H LYS 99 H LYS 107 0.909 9.187 -9.822 838 HA LYS 99 HA LYS 107 0.052 10.354 -7.322 839 HB2 LYS 99 HB2 LYS 107 -1.170 9.904 -10.051 840 HB3 LYS 99 HB3 LYS 107 -2.260 10.041 -8.709 841 HG2 LYS 99 HG2 LYS 107 -1.226 12.186 -7.994 842 HG3 LYS 99 HG3 LYS 107 -0.242 12.169 -9.437 843 HD2 LYS 99 HD2 LYS 107 -2.238 12.264 -10.869 844 HD3 LYS 99 HD3 LYS 107 -3.299 11.969 -9.523 845 HE2 LYS 99 HE2 LYS 107 -3.404 14.336 -10.110 846 HE3 LYS 99 HE3 LYS 107 -2.684 14.183 -8.519 847 HZ1 LYS 99 HZ1 LYS 107 -1.497 15.712 -9.889 848 HZ2 LYS 99 HZ2 LYS 107 -0.531 14.423 -9.537 849 HZ3 LYS 99 HZ3 LYS 107 -1.212 14.559 -11.032 850 H SER 100 H SER 108 -0.304 9.154 -5.560 851 HA SER 100 HA SER 108 -1.543 6.450 -5.828 852 HB2 SER 100 HB2 SER 108 0.372 7.563 -3.725 853 HB3 SER 100 HB3 SER 108 -0.322 5.951 -3.770 854 HG SER 100 HG SER 108 0.909 5.445 -5.455 855 H VAL 101 H VAL 109 -3.612 6.463 -5.281 856 HA VAL 101 HA VAL 109 -4.580 8.169 -3.019 857 HB VAL 101 HB VAL 109 -6.086 7.178 -5.485 858 HG11 VAL 101 HG11 VAL 109 -7.998 8.556 -4.613 859 HG12 VAL 101 HG12 VAL 109 -7.651 7.193 -3.573 860 HG13 VAL 101 HG13 VAL 109 -7.118 8.806 -3.111 861 HG21 VAL 101 HG21 VAL 109 -6.329 9.599 -6.042 862 HG22 VAL 101 HG22 VAL 109 -5.252 10.007 -4.711 863 HG23 VAL 101 HG23 VAL 109 -4.656 9.080 -6.082 864 H THR 102 H THR 110 -4.690 6.901 -1.313 865 HA THR 102 HA THR 110 -5.453 4.048 -1.403 866 HB THR 102 HB THR 110 -4.813 5.911 0.928 867 HG1 THR 102 HG1 THR 110 -3.035 5.648 -0.362 868 HG21 THR 102 HG21 THR 110 -4.307 3.787 2.203 869 HG22 THR 102 HG22 THR 110 -6.009 3.965 1.844 870 HG23 THR 102 HG23 THR 110 -5.022 2.858 0.888 871 H GLU 103 H GLU 111 -7.342 3.286 -0.275 872 HA GLU 103 HA GLU 111 -9.342 5.209 0.670 873 HB2 GLU 103 HB2 GLU 111 -9.732 5.069 -1.756 874 HB3 GLU 103 HB3 GLU 111 -9.760 3.337 -1.706 875 HG2 GLU 103 HG2 GLU 111 -11.824 3.337 -0.338 876 HG3 GLU 103 HG3 GLU 111 -11.826 5.087 -0.296 877 H LEU 104 H LEU 112 -10.578 4.441 2.231 878 HA LEU 104 HA LEU 112 -10.432 1.579 3.067 879 HB2 LEU 104 HB2 LEU 112 -9.305 3.063 4.686 880 HB3 LEU 104 HB3 LEU 112 -10.573 4.224 4.553 881 HG LEU 104 HG LEU 112 -12.154 2.370 5.606 882 HD11 LEU 104 HD11 LEU 112 -10.819 1.012 7.301 883 HD12 LEU 104 HD12 LEU 112 -10.737 0.449 5.639 884 HD13 LEU 104 HD13 LEU 112 -9.390 1.347 6.340 885 HD21 LEU 104 HD21 LEU 112 -11.356 3.179 7.893 886 HD22 LEU 104 HD22 LEU 112 -10.210 4.186 7.010 887 HD23 LEU 104 HD23 LEU 112 -11.943 4.364 6.755 888 H ASN 105 H ASN 113 -12.336 0.544 2.887 889 HA ASN 105 HA ASN 113 -14.880 2.024 3.215 890 HB2 ASN 105 HB2 ASN 113 -14.116 0.006 1.045 891 HB3 ASN 105 HB3 ASN 113 -15.755 0.068 1.623 892 HD21 ASN 105 HD21 ASN 113 -13.543 2.868 0.984 893 HD22 ASN 105 HD22 ASN 113 -14.582 3.548 -0.241 894 H GLY 106 H GLY 114 -14.140 1.386 5.458 895 HA2 GLY 106 HA2 GLY 114 -14.538 0.210 7.358 896 HA3 GLY 106 HA3 GLY 114 -15.694 -0.762 6.464 897 H ASP 107 H ASP 115 -15.176 -2.887 6.094 898 HA ASP 107 HA ASP 115 -12.649 -3.940 6.979 899 HB2 ASP 107 HB2 ASP 115 -13.666 -6.194 6.467 900 HB3 ASP 107 HB3 ASP 115 -14.496 -5.270 7.655 901 H ILE 108 H ILE 116 -13.235 -2.434 4.124 902 HA ILE 108 HA ILE 116 -11.469 -4.284 2.558 903 HB ILE 108 HB ILE 116 -13.638 -2.401 1.524 904 HG12 ILE 108 HG12 ILE 116 -14.743 -4.301 2.583 905 HG13 ILE 108 HG13 ILE 116 -14.976 -4.283 0.873 906 HG21 ILE 108 HG21 ILE 116 -13.268 -3.490 -0.703 907 HG22 ILE 108 HG22 ILE 116 -11.878 -2.574 -0.171 908 HG23 ILE 108 HG23 ILE 116 -11.869 -4.331 -0.043 909 HD11 ILE 108 HD11 ILE 116 -14.397 -6.559 2.100 910 HD12 ILE 108 HD12 ILE 116 -13.702 -6.237 0.516 911 HD13 ILE 108 HD13 ILE 116 -12.730 -6.028 1.965 912 H ILE 109 H ILE 117 -9.748 -3.404 1.570 913 HA ILE 109 HA ILE 117 -9.308 -0.453 1.687 914 HB ILE 109 HB ILE 117 -7.305 -2.731 1.931 915 HG12 ILE 109 HG12 ILE 117 -8.430 -2.307 4.018 916 HG13 ILE 109 HG13 ILE 117 -6.733 -1.969 4.120 917 HG21 ILE 109 HG21 ILE 117 -5.511 -0.981 2.209 918 HG22 ILE 109 HG22 ILE 117 -6.154 -1.056 0.586 919 HG23 ILE 109 HG23 ILE 117 -6.661 0.238 1.665 920 HD11 ILE 109 HD11 ILE 117 -7.987 -0.256 5.333 921 HD12 ILE 109 HD12 ILE 117 -7.284 0.530 3.927 922 HD13 ILE 109 HD13 ILE 117 -8.993 0.089 3.941 923 H THR 110 H THR 118 -8.797 0.456 -0.226 924 HA THR 110 HA THR 118 -8.001 -1.227 -2.545 925 HB THR 110 HB THR 118 -10.165 0.943 -2.503 926 HG1 THR 110 HG1 THR 118 -11.382 -0.786 -3.394 927 HG21 THR 110 HG21 THR 118 -10.420 0.497 -4.968 928 HG22 THR 110 HG22 THR 118 -8.881 1.253 -4.617 929 HG23 THR 110 HG23 THR 118 -8.953 -0.478 -4.938 930 H ASN 111 H ASN 119 -6.006 -0.504 -3.064 931 HA ASN 111 HA ASN 119 -5.402 2.419 -2.884 932 HB2 ASN 111 HB2 ASN 119 -3.890 1.039 -1.493 933 HB3 ASN 111 HB3 ASN 119 -3.546 -0.007 -2.847 934 HD21 ASN 111 HD21 ASN 119 -3.303 3.489 -1.851 935 HD22 ASN 111 HD22 ASN 119 -1.833 3.779 -2.742 936 H THR 112 H THR 120 -4.894 3.477 -4.724 937 HA THR 112 HA THR 120 -4.507 1.974 -7.265 938 HB THR 112 HB THR 120 -6.233 4.475 -6.809 939 HG1 THR 112 HG1 THR 120 -7.241 2.532 -6.337 940 HG21 THR 112 HG21 THR 120 -6.763 4.326 -9.268 941 HG22 THR 112 HG22 THR 120 -5.082 4.748 -9.008 942 HG23 THR 112 HG23 THR 120 -5.511 3.102 -9.458 943 H MET 113 H MET 121 -2.558 2.451 -8.020 944 HA MET 113 HA MET 121 -1.331 5.126 -7.560 945 HB2 MET 113 HB2 MET 121 0.081 2.508 -8.177 946 HB3 MET 113 HB3 MET 121 0.828 4.044 -7.853 947 HG2 MET 113 HG2 MET 121 -0.679 3.662 -5.537 948 HG3 MET 113 HG3 MET 121 -0.285 2.017 -5.964 949 HE1 MET 113 HE1 MET 121 3.745 2.347 -6.037 950 HE2 MET 113 HE2 MET 121 2.478 1.122 -5.972 951 HE3 MET 113 HE3 MET 121 2.542 2.263 -7.331 952 H THR 114 H THR 122 -0.383 6.132 -9.381 953 HA THR 114 HA THR 122 -0.787 4.913 -12.066 954 HB THR 114 HB THR 122 -1.703 7.691 -11.170 955 HG1 THR 114 HG1 THR 122 -3.687 6.877 -12.033 956 HG21 THR 114 HG21 THR 122 -2.536 7.967 -13.551 957 HG22 THR 114 HG22 THR 122 -0.790 7.997 -13.454 958 HG23 THR 114 HG23 THR 122 -1.605 6.547 -14.016 959 H LEU 115 H LEU 123 1.353 4.559 -12.405 960 HA LEU 115 HA LEU 123 3.251 6.851 -12.304 961 HB2 LEU 115 HB2 LEU 123 4.054 5.032 -10.975 962 HB3 LEU 115 HB3 LEU 123 3.580 3.841 -12.141 963 HG LEU 115 HG LEU 123 5.359 4.393 -13.650 964 HD11 LEU 115 HD11 LEU 123 6.490 6.315 -13.793 965 HD12 LEU 115 HD12 LEU 123 5.454 7.006 -12.568 966 HD13 LEU 115 HD13 LEU 123 6.973 6.280 -12.106 967 HD21 LEU 115 HD21 LEU 123 7.377 4.058 -11.936 968 HD22 LEU 115 HD22 LEU 123 6.068 3.779 -10.802 969 HD23 LEU 115 HD23 LEU 123 6.205 2.793 -12.255 970 H GLY 116 H GLY 124 3.224 7.871 -14.212 971 HA2 GLY 116 HA2 GLY 124 3.521 8.281 -16.430 972 HA3 GLY 116 HA3 GLY 124 4.206 6.674 -16.586 973 H ASP 117 H ASP 125 3.072 5.231 -17.783 974 HA ASP 117 HA ASP 125 0.254 5.783 -18.542 975 HB2 ASP 117 HB2 ASP 125 2.345 5.850 -20.218 976 HB3 ASP 117 HB3 ASP 125 2.185 4.100 -20.180 977 H ILE 118 H ILE 126 1.439 4.124 -16.175 978 HA ILE 118 HA ILE 126 -0.163 1.651 -16.677 979 HB ILE 118 HB ILE 126 2.502 1.894 -15.204 980 HG12 ILE 118 HG12 ILE 126 1.806 0.201 -17.637 981 HG13 ILE 118 HG13 ILE 126 2.638 1.723 -17.730 982 HG21 ILE 118 HG21 ILE 126 2.312 -0.591 -14.783 983 HG22 ILE 118 HG22 ILE 126 1.108 0.308 -13.908 984 HG23 ILE 118 HG23 ILE 126 0.664 -0.549 -15.382 985 HD11 ILE 118 HD11 ILE 126 4.559 0.543 -17.601 986 HD12 ILE 118 HD12 ILE 126 4.228 0.349 -15.884 987 HD13 ILE 118 HD13 ILE 126 3.737 -0.901 -17.026 988 H VAL 119 H VAL 127 -1.583 1.146 -15.072 989 HA VAL 119 HA VAL 127 -1.614 2.863 -12.630 990 HB VAL 119 HB VAL 127 -4.002 1.790 -14.189 991 HG11 VAL 119 HG11 VAL 127 -5.400 3.140 -12.680 992 HG12 VAL 119 HG12 VAL 127 -4.469 2.022 -11.707 993 HG13 VAL 119 HG13 VAL 127 -3.987 3.702 -11.803 994 HG21 VAL 119 HG21 VAL 127 -4.482 4.183 -14.726 995 HG22 VAL 119 HG22 VAL 127 -2.933 4.637 -14.025 996 HG23 VAL 119 HG23 VAL 127 -2.994 3.630 -15.467 997 H PHE 120 H PHE 128 -0.624 1.453 -11.237 998 HA PHE 120 HA PHE 128 -1.411 -1.328 -10.933 999 HB2 PHE 120 HB2 PHE 128 0.842 -0.799 -10.514 1000 HB3 PHE 120 HB3 PHE 128 0.476 0.561 -9.498 1001 HD1 PHE 120 HD1 PHE 128 -0.258 -3.148 -9.629 1002 HD2 PHE 120 HD2 PHE 128 0.825 0.230 -7.187 1003 HE1 PHE 120 HE1 PHE 128 -0.028 -4.609 -7.683 1004 HE2 PHE 120 HE2 PHE 128 1.120 -1.278 -5.256 1005 HZ PHE 120 HZ PHE 128 0.733 -3.702 -5.515 1006 H LYS 121 H LYS 129 -3.033 -2.137 -9.697 1007 HA LYS 121 HA LYS 129 -4.073 -0.474 -7.455 1008 HB2 LYS 121 HB2 LYS 129 -5.706 -2.333 -9.263 1009 HB3 LYS 121 HB3 LYS 129 -6.229 -1.728 -7.738 1010 HG2 LYS 121 HG2 LYS 129 -7.219 -0.092 -8.868 1011 HG3 LYS 121 HG3 LYS 129 -5.672 0.663 -8.758 1012 HD2 LYS 121 HD2 LYS 129 -6.444 0.932 -11.005 1013 HD3 LYS 121 HD3 LYS 129 -5.072 -0.137 -11.035 1014 HE2 LYS 121 HE2 LYS 129 -6.906 -0.849 -12.586 1015 HE3 LYS 121 HE3 LYS 129 -6.483 -2.086 -11.438 1016 HZ1 LYS 121 HZ1 LYS 129 -8.806 -1.898 -11.632 1017 HZ2 LYS 121 HZ2 LYS 129 -8.364 -1.462 -10.116 1018 HZ3 LYS 121 HZ3 LYS 129 -8.796 -0.296 -11.208 1019 H ARG 122 H ARG 130 -4.697 -1.544 -5.616 1020 HA ARG 122 HA ARG 130 -4.007 -4.401 -5.255 1021 HB2 ARG 122 HB2 ARG 130 -2.681 -2.044 -4.001 1022 HB3 ARG 122 HB3 ARG 130 -3.414 -3.071 -2.808 1023 HG2 ARG 122 HG2 ARG 130 -2.256 -5.023 -3.660 1024 HG3 ARG 122 HG3 ARG 130 -1.458 -4.118 -4.907 1025 HD2 ARG 122 HD2 ARG 130 0.212 -4.097 -3.251 1026 HD3 ARG 122 HD3 ARG 130 -0.618 -2.643 -2.783 1027 HE ARG 122 HE ARG 130 -0.663 -5.170 -1.389 1028 HH11 ARG 122 HH11 ARG 130 -2.130 -1.914 -1.504 1029 HH12 ARG 122 HH12 ARG 130 -2.688 -1.980 0.148 1030 HH21 ARG 122 HH21 ARG 130 -1.382 -5.206 0.749 1031 HH22 ARG 122 HH22 ARG 130 -2.245 -3.850 1.435 1032 H ILE 123 H ILE 131 -5.486 -5.457 -4.043 1033 HA ILE 123 HA ILE 131 -7.596 -3.924 -2.591 1034 HB ILE 123 HB ILE 131 -7.916 -6.584 -4.077 1035 HG12 ILE 123 HG12 ILE 131 -9.723 -5.029 -5.324 1036 HG13 ILE 123 HG13 ILE 131 -8.635 -3.754 -4.888 1037 HG21 ILE 123 HG21 ILE 131 -10.339 -6.347 -3.532 1038 HG22 ILE 123 HG22 ILE 131 -9.387 -6.495 -2.079 1039 HG23 ILE 123 HG23 ILE 131 -9.986 -4.914 -2.572 1040 HD11 ILE 123 HD11 ILE 131 -8.370 -4.894 -7.225 1041 HD12 ILE 123 HD12 ILE 131 -6.884 -4.678 -6.322 1042 HD13 ILE 123 HD13 ILE 131 -7.659 -6.259 -6.379 1043 H SER 124 H SER 132 -7.832 -4.531 -0.504 1044 HA SER 124 HA SER 132 -6.799 -7.124 0.472 1045 HB2 SER 124 HB2 SER 132 -5.977 -4.356 1.493 1046 HB3 SER 124 HB3 SER 132 -5.907 -5.776 2.517 1047 HG SER 124 HG SER 132 -3.960 -5.444 1.505 1048 H LYS 125 H LYS 133 -7.718 -7.732 2.569 1049 HA LYS 125 HA LYS 133 -10.248 -6.379 3.282 1050 HB2 LYS 125 HB2 LYS 133 -10.794 -8.028 1.569 1051 HB3 LYS 125 HB3 LYS 133 -9.997 -9.305 2.445 1052 HG2 LYS 125 HG2 LYS 133 -12.271 -7.800 3.769 1053 HG3 LYS 125 HG3 LYS 133 -12.649 -8.922 2.503 1054 HD2 LYS 125 HD2 LYS 133 -11.749 -10.797 3.691 1055 HD3 LYS 125 HD3 LYS 133 -10.953 -9.811 4.875 1056 HE2 LYS 125 HE2 LYS 133 -13.258 -8.997 5.651 1057 HE3 LYS 125 HE3 LYS 133 -13.983 -10.136 4.528 1058 HZ1 LYS 125 HZ1 LYS 133 -13.813 -11.033 6.713 1059 HZ2 LYS 125 HZ2 LYS 133 -12.832 -11.896 5.706 1060 HZ3 LYS 125 HZ3 LYS 133 -12.182 -10.790 6.750 1061 H ARG 126 H ARG 134 -10.901 -6.607 5.349 1062 HA ARG 126 HA ARG 134 -8.850 -6.664 7.216 1063 HB2 ARG 126 HB2 ARG 134 -11.038 -5.374 6.978 1064 HB3 ARG 126 HB3 ARG 134 -11.825 -6.621 7.890 1065 HG2 ARG 126 HG2 ARG 134 -9.423 -4.946 8.750 1066 HG3 ARG 126 HG3 ARG 134 -11.049 -4.424 9.041 1067 HD2 ARG 126 HD2 ARG 134 -11.261 -6.738 10.414 1068 HD3 ARG 126 HD3 ARG 134 -9.513 -6.648 10.347 1069 HE ARG 126 HE ARG 134 -10.473 -4.121 11.143 1070 HH11 ARG 126 HH11 ARG 134 -9.853 -7.376 12.431 1071 HH12 ARG 126 HH12 ARG 134 -9.590 -6.811 14.058 1072 HH21 ARG 126 HH21 ARG 134 -10.105 -3.398 13.260 1073 HH22 ARG 126 HH22 ARG 134 -9.743 -4.533 14.531 1074 H ILE 127 H ILE 135 -8.202 -8.015 8.832 1075 HA ILE 127 HA ILE 135 -8.976 -10.842 8.630 1076 HB ILE 127 HB ILE 135 -6.784 -9.642 10.378 1077 HG12 ILE 127 HG12 ILE 135 -6.460 -10.571 7.515 1078 HG13 ILE 127 HG13 ILE 135 -6.403 -8.915 8.015 1079 HG21 ILE 127 HG21 ILE 135 -5.774 -11.929 10.200 1080 HG22 ILE 127 HG22 ILE 135 -7.373 -12.022 10.884 1081 HG23 ILE 127 HG23 ILE 135 -7.118 -12.450 9.196 1082 HD11 ILE 127 HD11 ILE 135 -4.168 -9.166 8.198 1083 HD12 ILE 127 HD12 ILE 135 -4.454 -10.073 9.670 1084 HD13 ILE 127 HD13 ILE 135 -4.265 -10.921 8.142 1085 H2 2VN 201 H152 DRG 176 1.438 4.913 -2.643 1086 H1 2VN 201 H151 DRG 176 0.587 5.976 -1.561 1087 H18 2VN 201 H212 DRG 176 -0.687 2.588 1.544 1088 H17 2VN 201 H211 DRG 176 -1.352 1.116 2.133 1089 H20 2VN 201 H222 DRG 176 0.806 -0.015 2.068 1090 H19 2VN 201 H221 DRG 176 1.589 1.301 1.247 1091 H22 2VN 201 H232 DRG 176 0.443 1.577 4.016 1092 H21 2VN 201 H231 DRG 176 2.063 1.071 3.690 1093 H23 2VN 201 H24 DRG 176 2.291 3.297 2.356 1094 H24 2VN 201 H251 DRG 176 3.493 2.763 4.467 1095 H25 2VN 201 H252 DRG 176 2.134 3.385 5.362 1096 H26 2VN 201 H261 DRG 176 4.137 4.913 3.700 1097 H27 2VN 201 H262 DRG 176 3.602 5.205 5.327 1098 H28 2VN 201 H271 DRG 176 2.446 6.148 2.746 1099 H29 2VN 201 H272 DRG 176 2.402 6.906 4.312 1100 H31 2VN 201 H282 DRG 176 0.536 5.384 4.989 1101 H30 2VN 201 H281 DRG 176 0.106 6.285 3.563 1102 H32 2VN 201 H291 DRG 176 -0.387 3.742 3.626 1103 H33 2VN 201 H292 DRG 176 0.288 4.404 2.174 1104 H35 2VN 201 H112 DRG 176 2.348 -0.145 -0.249 1105 H34 2VN 201 H111 DRG 176 2.678 -0.348 -1.935 1106 H3 2VN 201 H14 DRG 176 1.406 4.992 0.363 1107 HK6 2VN 201 H7 DRG 176 2.964 -2.593 -2.788 1108 HL7 2VN 201 H6 DRG 176 3.168 -4.977 -2.324 1109 HL8 2VN 201 H8 DRG 176 1.430 -4.395 1.563 1110 HK9 2VN 201 H9 DRG 176 1.211 -1.994 1.091 1111 HJ2 2VN 201 H43 DRG 176 2.106 -9.786 -1.865 1112 HJ1 2VN 201 H42 DRG 176 1.161 -9.106 -0.544 1113 HJ0 2VN 201 H41 DRG 176 2.850 -9.511 -0.301 1114 HJ4 2VN 201 H32 DRG 176 4.031 -8.506 -2.842 1115 HJ5 2VN 201 H33 DRG 176 4.265 -6.805 -2.541 1116 HJ3 2VN 201 H31 DRG 176 4.721 -7.975 -1.323 1117 H4 2VN 201 H191 DRG 176 3.629 3.720 -1.241 1118 H5 2VN 201 H192 DRG 176 3.374 3.380 0.438 1119 H7 2VN 201 H182 DRG 176 5.071 5.278 -0.291 1120 H6 2VN 201 H181 DRG 176 4.105 5.509 1.128 1121 H9 2VN 201 H172 DRG 176 4.236 7.461 -0.679 1122 H8 2VN 201 H171 DRG 176 2.767 7.149 0.188 1123 H11 2VN 201 H162 DRG 176 3.388 6.104 -2.604 1124 H10 2VN 201 H161 DRG 176 2.318 7.422 -2.265 1125 H14 2VN 201 H122 DRG 176 -0.147 -0.926 -1.111 1126 H13 2VN 201 H121 DRG 176 0.409 -0.191 -2.579 1127 H16 2VN 201 H202 DRG 176 -1.693 1.810 -0.350 1128 H15 2VN 201 H201 DRG 176 -1.390 0.150 0.026 1129 H12 2VN 201 HN2 DRG 176 0.114 3.298 0.174 Start of MODEL 8 1 H1 HIS -7 H1 HIS 1 -25.377 5.860 28.052 2 H2 HIS -7 H2 HIS 1 -25.419 6.522 26.576 3 H3 HIS -7 H3 HIS 1 -26.208 7.317 27.778 4 HA HIS -7 HA HIS 1 -27.474 5.044 27.907 5 HB2 HIS -7 HB2 HIS 1 -27.837 6.966 25.432 6 HB3 HIS -7 HB3 HIS 1 -29.083 5.903 26.031 7 HD1 HIS -7 HD1 HIS 1 -27.542 9.272 26.595 8 HD2 HIS -7 HD2 HIS 1 -30.519 6.867 28.381 9 HE1 HIS -7 HE1 HIS 1 -28.878 10.706 28.189 10 H HIS -6 H HIS 2 -27.841 3.155 26.881 11 HA HIS -6 HA HIS 2 -27.383 1.332 25.736 12 HB2 HIS -6 HB2 HIS 2 -27.124 3.216 23.342 13 HB3 HIS -6 HB3 HIS 2 -27.499 1.515 23.266 14 HD1 HIS -6 HD1 HIS 2 -29.099 4.813 23.668 15 HD2 HIS -6 HD2 HIS 2 -30.186 0.786 24.305 16 HE1 HIS -6 HE1 HIS 2 -31.618 4.689 23.880 17 H HIS -5 H HIS 3 -25.711 0.896 23.353 18 HA HIS -5 HA HIS 3 -23.028 0.781 24.642 19 HB2 HIS -5 HB2 HIS 3 -24.175 -0.739 22.251 20 HB3 HIS -5 HB3 HIS 3 -22.604 -0.987 22.970 21 HD1 HIS -5 HD1 HIS 3 -23.013 -1.453 25.869 22 HD2 HIS -5 HD2 HIS 3 -25.893 -2.754 23.073 23 HE1 HIS -5 HE1 HIS 3 -24.403 -3.274 26.941 24 H HIS -4 H HIS 4 -22.789 3.137 24.234 25 HA HIS -4 HA HIS 4 -22.506 3.972 21.430 26 HB2 HIS -4 HB2 HIS 4 -23.643 5.331 23.268 27 HB3 HIS -4 HB3 HIS 4 -22.077 5.629 23.957 28 HD1 HIS -4 HD1 HIS 4 -20.348 6.450 21.583 29 HD2 HIS -4 HD2 HIS 4 -24.403 7.575 21.852 30 HE1 HIS -4 HE1 HIS 4 -20.724 8.443 20.071 31 H HIS -3 H HIS 5 -20.713 2.812 20.669 32 HA HIS -3 HA HIS 5 -18.180 4.020 21.203 33 HB2 HIS -3 HB2 HIS 5 -18.446 2.169 23.051 34 HB3 HIS -3 HB3 HIS 5 -18.330 1.007 21.768 35 HD1 HIS -3 HD1 HIS 5 -16.241 0.323 23.410 36 HD2 HIS -3 HD2 HIS 5 -15.704 3.848 21.154 37 HE1 HIS -3 HE1 HIS 5 -13.777 0.900 23.400 38 H HIS -2 H HIS 6 -17.120 4.069 19.287 39 HA HIS -2 HA HIS 6 -16.702 3.963 17.127 40 HB2 HIS -2 HB2 HIS 6 -16.846 1.030 17.832 41 HB3 HIS -2 HB3 HIS 6 -16.802 1.434 16.145 42 HD1 HIS -2 HD1 HIS 6 -14.562 1.082 19.030 43 HD2 HIS -2 HD2 HIS 6 -14.433 2.965 15.255 44 HE1 HIS -2 HE1 HIS 6 -12.146 1.568 18.461 45 H VAL -1 H VAL 7 -18.373 5.288 16.517 46 HA VAL -1 HA VAL 7 -20.766 4.032 15.264 47 HB VAL -1 HB VAL 7 -21.768 6.254 15.419 48 HG11 VAL -1 HG11 VAL 7 -22.139 6.343 17.829 49 HG12 VAL -1 HG12 VAL 7 -22.110 4.676 17.272 50 HG13 VAL -1 HG13 VAL 7 -20.724 5.344 18.127 51 HG21 VAL -1 HG21 VAL 7 -20.748 8.109 16.701 52 HG22 VAL -1 HG22 VAL 7 -19.240 7.219 16.838 53 HG23 VAL -1 HG23 VAL 7 -19.807 7.764 15.263 54 H ALA 0 H ALA 8 -17.905 4.330 14.109 55 HA ALA 0 HA ALA 8 -18.718 4.949 11.424 56 HB1 ALA 0 HB1 ALA 8 -17.037 6.805 11.082 57 HB2 ALA 0 HB2 ALA 8 -18.285 7.289 12.214 58 HB3 ALA 0 HB3 ALA 8 -16.697 6.814 12.809 59 H MET 1 H MET 9 -16.870 4.679 9.909 60 HA MET 1 HA MET 9 -15.247 2.376 10.458 61 HB2 MET 1 HB2 MET 9 -14.506 2.713 8.161 62 HB3 MET 1 HB3 MET 9 -16.225 2.873 8.258 63 HG2 MET 1 HG2 MET 9 -15.334 5.547 8.546 64 HG3 MET 1 HG3 MET 9 -14.178 4.866 7.436 65 HE1 MET 1 HE1 MET 9 -16.396 3.804 4.399 66 HE2 MET 1 HE2 MET 9 -14.772 3.878 5.091 67 HE3 MET 1 HE3 MET 9 -15.953 2.731 5.734 68 H SER 2 H SER 10 -12.861 2.328 10.120 69 HA SER 2 HA SER 10 -11.350 4.754 10.704 70 HB2 SER 2 HB2 SER 10 -12.119 3.982 12.985 71 HB3 SER 2 HB3 SER 10 -11.414 2.405 12.689 72 HG SER 2 HG SER 10 -9.931 3.568 13.800 73 H PHE 3 H PHE 11 -9.140 4.529 10.323 74 HA PHE 3 HA PHE 11 -8.265 2.446 8.519 75 HB2 PHE 3 HB2 PHE 11 -6.871 4.765 9.892 76 HB3 PHE 3 HB3 PHE 11 -6.011 3.628 8.899 77 HD1 PHE 3 HD1 PHE 11 -8.429 6.408 8.888 78 HD2 PHE 3 HD2 PHE 11 -6.513 3.435 6.421 79 HE1 PHE 3 HE1 PHE 11 -9.035 7.662 6.867 80 HE2 PHE 3 HE2 PHE 11 -7.101 4.737 4.421 81 HZ PHE 3 HZ PHE 11 -8.303 6.869 4.645 82 H SER 4 H SER 12 -8.087 2.889 12.025 83 HA SER 4 HA SER 12 -5.958 1.152 12.590 84 HB2 SER 4 HB2 SER 12 -6.710 1.259 14.875 85 HB3 SER 4 HB3 SER 12 -6.831 2.843 14.150 86 HG SER 4 HG SER 12 -8.956 0.999 14.521 87 H GLY 5 H GLY 13 -5.791 -0.814 11.789 88 HA2 GLY 5 HA2 GLY 13 -7.217 -3.057 12.688 89 HA3 GLY 5 HA3 GLY 13 -7.978 -2.539 11.179 90 H LYS 6 H LYS 14 -6.872 -4.926 11.032 91 HA LYS 6 HA LYS 14 -4.307 -4.614 9.550 92 HB2 LYS 6 HB2 LYS 14 -4.479 -5.782 11.967 93 HB3 LYS 6 HB3 LYS 14 -5.055 -7.150 11.086 94 HG2 LYS 6 HG2 LYS 14 -2.500 -5.731 10.198 95 HG3 LYS 6 HG3 LYS 14 -2.442 -6.562 11.703 96 HD2 LYS 6 HD2 LYS 14 -3.342 -7.922 9.128 97 HD3 LYS 6 HD3 LYS 14 -1.664 -7.804 9.595 98 HE2 LYS 6 HE2 LYS 14 -3.811 -9.158 11.319 99 HE3 LYS 6 HE3 LYS 14 -2.746 -10.006 10.221 100 HZ1 LYS 6 HZ1 LYS 14 -1.902 -10.040 12.427 101 HZ2 LYS 6 HZ2 LYS 14 -0.872 -9.202 11.450 102 HZ3 LYS 6 HZ3 LYS 14 -1.855 -8.394 12.496 103 H TYR 7 H TYR 15 -4.139 -5.869 7.620 104 HA TYR 7 HA TYR 15 -6.685 -6.980 6.587 105 HB2 TYR 7 HB2 TYR 15 -5.124 -4.844 5.058 106 HB3 TYR 7 HB3 TYR 15 -6.684 -5.501 4.678 107 HD1 TYR 7 HD1 TYR 15 -8.673 -4.397 5.464 108 HD2 TYR 7 HD2 TYR 15 -4.817 -3.302 7.052 109 HE1 TYR 7 HE1 TYR 15 -9.701 -2.469 6.639 110 HE2 TYR 7 HE2 TYR 15 -5.855 -1.402 8.250 111 HH TYR 7 HH TYR 15 -7.790 -0.268 8.735 112 H GLN 8 H GLN 16 -6.378 -8.728 5.283 113 HA GLN 8 HA GLN 16 -3.628 -9.516 4.531 114 HB2 GLN 8 HB2 GLN 16 -4.577 -11.659 4.123 115 HB3 GLN 8 HB3 GLN 16 -5.172 -11.095 5.643 116 HG2 GLN 8 HG2 GLN 16 -7.158 -10.277 3.706 117 HG3 GLN 8 HG3 GLN 16 -6.626 -11.857 3.196 118 HE21 GLN 8 HE21 GLN 16 -9.053 -10.437 4.716 119 HE22 GLN 8 HE22 GLN 16 -9.453 -11.640 5.914 120 H LEU 9 H LEU 17 -2.989 -9.903 2.340 121 HA LEU 9 HA LEU 17 -4.171 -8.231 0.325 122 HB2 LEU 9 HB2 LEU 17 -1.739 -8.753 0.459 123 HB3 LEU 9 HB3 LEU 17 -2.083 -10.441 0.220 124 HG LEU 9 HG LEU 17 -2.977 -9.919 -2.076 125 HD11 LEU 9 HD11 LEU 17 -1.770 -7.351 -2.559 126 HD12 LEU 9 HD12 LEU 17 -3.444 -7.841 -2.741 127 HD13 LEU 9 HD13 LEU 17 -2.881 -7.175 -1.222 128 HD21 LEU 9 HD21 LEU 17 -0.957 -10.545 -2.760 129 HD22 LEU 9 HD22 LEU 17 -0.287 -8.952 -2.499 130 HD23 LEU 9 HD23 LEU 17 -0.284 -10.118 -1.203 131 H GLN 10 H GLN 18 -5.648 -8.683 -1.221 132 HA GLN 10 HA GLN 18 -6.844 -11.418 -1.329 133 HB2 GLN 10 HB2 GLN 18 -7.975 -8.671 -2.046 134 HB3 GLN 10 HB3 GLN 18 -8.822 -10.170 -2.274 135 HG2 GLN 10 HG2 GLN 18 -7.893 -9.129 0.457 136 HG3 GLN 10 HG3 GLN 18 -9.481 -8.886 -0.214 137 HE21 GLN 10 HE21 GLN 18 -7.244 -11.290 1.145 138 HE22 GLN 10 HE22 GLN 18 -8.456 -12.507 1.450 139 H SER 11 H SER 19 -6.009 -8.604 -3.440 140 HA SER 11 HA SER 19 -4.936 -10.260 -5.516 141 HB2 SER 11 HB2 SER 19 -7.862 -9.562 -5.596 142 HB3 SER 11 HB3 SER 19 -7.002 -9.064 -7.029 143 HG SER 11 HG SER 19 -7.754 -11.188 -7.184 144 H GLN 12 H GLN 20 -4.170 -9.023 -7.345 145 HA GLN 12 HA GLN 20 -3.931 -6.091 -6.914 146 HB2 GLN 12 HB2 GLN 20 -1.586 -7.886 -7.694 147 HB3 GLN 12 HB3 GLN 20 -1.587 -6.180 -7.363 148 HG2 GLN 12 HG2 GLN 20 -0.780 -6.708 -5.337 149 HG3 GLN 12 HG3 GLN 20 -2.409 -7.123 -4.901 150 HE21 GLN 12 HE21 GLN 20 0.808 -8.256 -5.233 151 HE22 GLN 12 HE22 GLN 20 0.521 -9.959 -5.053 152 H GLU 13 H GLU 21 -4.018 -4.949 -8.788 153 HA GLU 13 HA GLU 21 -4.215 -6.402 -11.400 154 HB2 GLU 13 HB2 GLU 21 -5.400 -3.732 -10.559 155 HB3 GLU 13 HB3 GLU 21 -5.622 -4.505 -12.096 156 HG2 GLU 13 HG2 GLU 21 -6.942 -6.329 -11.070 157 HG3 GLU 13 HG3 GLU 21 -6.634 -5.714 -9.461 158 H ASN 14 H ASN 22 -2.860 -5.704 -13.019 159 HA ASN 14 HA ASN 22 -1.050 -5.009 -13.945 160 HB2 ASN 14 HB2 ASN 22 -1.940 -2.350 -12.726 161 HB3 ASN 14 HB3 ASN 22 -0.452 -2.391 -13.611 162 HD21 ASN 14 HD21 ASN 22 -3.185 -1.157 -14.179 163 HD22 ASN 14 HD22 ASN 22 -3.409 -1.563 -15.865 164 H PHE 15 H PHE 23 -0.738 -6.295 -11.341 165 HA PHE 15 HA PHE 23 1.347 -5.142 -9.817 166 HB2 PHE 15 HB2 PHE 23 -0.082 -6.877 -8.949 167 HB3 PHE 15 HB3 PHE 23 0.445 -8.035 -10.134 168 HD1 PHE 15 HD1 PHE 23 1.334 -6.266 -6.995 169 HD2 PHE 15 HD2 PHE 23 2.760 -9.041 -9.983 170 HE1 PHE 15 HE1 PHE 23 3.279 -6.798 -5.604 171 HE2 PHE 15 HE2 PHE 23 4.704 -9.505 -8.578 172 HZ PHE 15 HZ PHE 23 4.979 -8.384 -6.399 173 H GLU 16 H GLU 24 1.566 -7.759 -12.265 174 HA GLU 16 HA GLU 24 4.333 -7.945 -12.569 175 HB2 GLU 16 HB2 GLU 24 1.917 -8.449 -14.332 176 HB3 GLU 16 HB3 GLU 24 3.478 -8.642 -15.025 177 HG2 GLU 16 HG2 GLU 24 2.915 -10.083 -12.395 178 HG3 GLU 16 HG3 GLU 24 2.115 -10.649 -13.835 179 H ALA 17 H ALA 25 2.041 -5.896 -14.470 180 HA ALA 17 HA ALA 25 3.873 -4.713 -16.196 181 HB1 ALA 17 HB1 ALA 25 2.064 -2.998 -16.520 182 HB2 ALA 17 HB2 ALA 25 1.432 -4.638 -16.530 183 HB3 ALA 17 HB3 ALA 25 1.225 -3.626 -15.105 184 H PHE 18 H PHE 26 2.718 -3.433 -13.028 185 HA PHE 18 HA PHE 26 4.270 -1.047 -13.113 186 HB2 PHE 18 HB2 PHE 26 2.261 -1.137 -11.866 187 HB3 PHE 18 HB3 PHE 26 2.769 -2.514 -10.924 188 HD1 PHE 18 HD1 PHE 26 3.256 1.149 -11.397 189 HD2 PHE 18 HD2 PHE 26 4.206 -2.288 -8.966 190 HE1 PHE 18 HE1 PHE 26 4.186 2.612 -9.640 191 HE2 PHE 18 HE2 PHE 26 5.140 -0.792 -7.246 192 HZ PHE 18 HZ PHE 26 5.143 1.645 -7.594 193 H MET 19 H MET 27 4.845 -4.212 -11.511 194 HA MET 19 HA MET 27 7.198 -3.460 -10.135 195 HB2 MET 19 HB2 MET 27 6.138 -6.173 -10.962 196 HB3 MET 19 HB3 MET 27 7.548 -5.901 -9.950 197 HG2 MET 19 HG2 MET 27 4.977 -4.597 -9.089 198 HG3 MET 19 HG3 MET 27 5.167 -6.312 -8.856 199 HE1 MET 19 HE1 MET 27 5.820 -4.011 -5.495 200 HE2 MET 19 HE2 MET 27 5.145 -3.293 -6.959 201 HE3 MET 19 HE3 MET 27 4.528 -4.842 -6.371 202 H LYS 20 H LYS 28 6.735 -4.946 -13.392 203 HA LYS 20 HA LYS 28 9.530 -5.170 -13.998 204 HB2 LYS 20 HB2 LYS 28 7.030 -5.078 -15.738 205 HB3 LYS 20 HB3 LYS 28 8.610 -5.365 -16.391 206 HG2 LYS 20 HG2 LYS 28 7.354 -7.160 -14.265 207 HG3 LYS 20 HG3 LYS 28 7.174 -7.434 -15.966 208 HD2 LYS 20 HD2 LYS 28 9.843 -7.407 -14.475 209 HD3 LYS 20 HD3 LYS 28 8.900 -8.834 -14.820 210 HE2 LYS 20 HE2 LYS 28 9.167 -8.375 -17.292 211 HE3 LYS 20 HE3 LYS 28 10.209 -7.016 -16.897 212 HZ1 LYS 20 HZ1 LYS 28 11.464 -8.979 -17.323 213 HZ2 LYS 20 HZ2 LYS 28 11.652 -8.555 -15.741 214 HZ3 LYS 20 HZ3 LYS 28 10.677 -9.824 -16.149 215 H ALA 21 H ALA 29 7.239 -2.461 -14.173 216 HA ALA 21 HA ALA 29 8.886 -0.854 -15.934 217 HB1 ALA 21 HB1 ALA 29 7.167 0.892 -15.462 218 HB2 ALA 21 HB2 ALA 29 6.480 -0.634 -15.993 219 HB3 ALA 21 HB3 ALA 29 6.405 -0.179 -14.290 220 H ILE 22 H ILE 30 8.438 -1.039 -12.360 221 HA ILE 22 HA ILE 30 10.323 1.149 -11.889 222 HB ILE 22 HB ILE 30 10.240 0.455 -9.519 223 HG12 ILE 22 HG12 ILE 30 8.245 -1.624 -10.392 224 HG13 ILE 22 HG13 ILE 30 9.822 -1.989 -9.788 225 HG21 ILE 22 HG21 ILE 30 7.982 1.278 -9.084 226 HG22 ILE 22 HG22 ILE 30 8.676 2.127 -10.445 227 HG23 ILE 22 HG23 ILE 30 7.474 0.862 -10.719 228 HD11 ILE 22 HD11 ILE 30 8.355 -2.301 -7.906 229 HD12 ILE 22 HD12 ILE 30 9.064 -0.717 -7.603 230 HD13 ILE 22 HD13 ILE 30 7.438 -0.858 -8.266 231 H GLY 23 H GLY 31 10.714 -2.026 -12.954 232 HA2 GLY 23 HA2 GLY 31 12.675 -2.944 -13.661 233 HA3 GLY 23 HA3 GLY 31 13.595 -1.714 -12.821 234 H LEU 24 H LEU 32 11.159 -3.864 -11.219 235 HA LEU 24 HA LEU 32 13.046 -4.722 -9.258 236 HB2 LEU 24 HB2 LEU 32 10.190 -5.537 -9.988 237 HB3 LEU 24 HB3 LEU 32 11.059 -6.458 -8.846 238 HG LEU 24 HG LEU 32 9.560 -4.161 -8.402 239 HD11 LEU 24 HD11 LEU 32 9.614 -4.753 -6.151 240 HD12 LEU 24 HD12 LEU 32 9.978 -6.278 -6.930 241 HD13 LEU 24 HD13 LEU 32 11.273 -5.330 -6.211 242 HD21 LEU 24 HD21 LEU 32 10.793 -2.466 -7.411 243 HD22 LEU 24 HD22 LEU 32 12.256 -3.428 -7.246 244 HD23 LEU 24 HD23 LEU 32 11.765 -2.788 -8.804 245 HA PRO 25 HA PRO 33 14.620 -8.516 -11.115 246 HB2 PRO 25 HB2 PRO 33 15.087 -10.033 -8.869 247 HB3 PRO 25 HB3 PRO 33 16.059 -8.629 -9.289 248 HG2 PRO 25 HG2 PRO 33 13.722 -8.736 -7.377 249 HG3 PRO 25 HG3 PRO 33 15.321 -8.078 -7.043 250 HD2 PRO 25 HD2 PRO 33 13.277 -6.458 -7.790 251 HD3 PRO 25 HD3 PRO 33 14.893 -6.153 -8.436 252 H GLU 26 H GLU 34 13.670 -10.351 -11.928 253 HA GLU 26 HA GLU 34 10.891 -10.564 -11.684 254 HB2 GLU 26 HB2 GLU 34 12.220 -10.944 -13.703 255 HB3 GLU 26 HB3 GLU 34 12.847 -12.429 -13.049 256 HG2 GLU 26 HG2 GLU 34 10.711 -13.549 -13.192 257 HG3 GLU 26 HG3 GLU 34 9.835 -12.040 -13.338 258 H GLU 27 H GLU 35 13.309 -12.145 -9.741 259 HA GLU 27 HA GLU 35 11.697 -14.257 -8.716 260 HB2 GLU 27 HB2 GLU 35 14.104 -14.247 -8.484 261 HB3 GLU 27 HB3 GLU 35 14.079 -12.765 -7.569 262 HG2 GLU 27 HG2 GLU 35 12.955 -13.892 -5.662 263 HG3 GLU 27 HG3 GLU 35 12.728 -15.343 -6.613 264 H LEU 28 H LEU 36 12.089 -10.817 -7.630 265 HA LEU 28 HA LEU 36 10.271 -11.055 -5.431 266 HB2 LEU 28 HB2 LEU 36 11.426 -8.688 -6.935 267 HB3 LEU 28 HB3 LEU 36 10.218 -8.452 -5.716 268 HG LEU 28 HG LEU 36 12.862 -9.821 -5.207 269 HD11 LEU 28 HD11 LEU 36 13.788 -7.837 -4.580 270 HD12 LEU 28 HD12 LEU 36 12.566 -7.128 -5.614 271 HD13 LEU 28 HD13 LEU 36 12.303 -7.197 -3.886 272 HD21 LEU 28 HD21 LEU 36 11.800 -9.041 -2.711 273 HD22 LEU 28 HD22 LEU 36 10.412 -9.694 -3.557 274 HD23 LEU 28 HD23 LEU 36 11.863 -10.668 -3.356 275 H ILE 29 H ILE 37 9.786 -10.548 -8.873 276 HA ILE 29 HA ILE 37 7.065 -9.582 -8.637 277 HB ILE 29 HB ILE 37 8.720 -10.626 -10.948 278 HG12 ILE 29 HG12 ILE 37 7.586 -7.878 -10.683 279 HG13 ILE 29 HG13 ILE 37 8.990 -8.241 -9.731 280 HG21 ILE 29 HG21 ILE 37 6.954 -9.758 -12.495 281 HG22 ILE 29 HG22 ILE 37 6.411 -11.166 -11.612 282 HG23 ILE 29 HG23 ILE 37 5.862 -9.563 -11.131 283 HD11 ILE 29 HD11 ILE 37 9.107 -7.268 -12.276 284 HD12 ILE 29 HD12 ILE 37 10.408 -8.160 -11.506 285 HD13 ILE 29 HD13 ILE 37 9.306 -8.996 -12.588 286 H GLN 30 H GLN 38 8.567 -12.766 -9.588 287 HA GLN 30 HA GLN 38 6.084 -14.107 -9.810 288 HB2 GLN 30 HB2 GLN 38 8.889 -15.220 -9.329 289 HB3 GLN 30 HB3 GLN 38 7.494 -16.201 -9.660 290 HG2 GLN 30 HG2 GLN 38 8.912 -14.323 -11.578 291 HG3 GLN 30 HG3 GLN 38 8.650 -16.025 -11.730 292 HE21 GLN 30 HE21 GLN 38 7.607 -12.964 -12.734 293 HE22 GLN 30 HE22 GLN 38 6.040 -13.394 -13.363 294 H LYS 31 H LYS 39 8.339 -13.991 -6.957 295 HA LYS 31 HA LYS 39 6.595 -15.531 -5.303 296 HB2 LYS 31 HB2 LYS 39 8.036 -14.951 -3.514 297 HB3 LYS 31 HB3 LYS 39 9.032 -15.148 -4.917 298 HG2 LYS 31 HG2 LYS 39 9.975 -13.169 -4.241 299 HG3 LYS 31 HG3 LYS 39 8.633 -12.477 -5.086 300 HD2 LYS 31 HD2 LYS 39 8.312 -11.304 -3.173 301 HD3 LYS 31 HD3 LYS 39 7.430 -12.708 -2.660 302 HE2 LYS 31 HE2 LYS 39 10.335 -12.079 -1.977 303 HE3 LYS 31 HE3 LYS 39 8.967 -12.050 -0.881 304 HZ1 LYS 31 HZ1 LYS 39 10.230 -14.055 -0.671 305 HZ2 LYS 31 HZ2 LYS 39 8.723 -14.408 -1.221 306 HZ3 LYS 31 HZ3 LYS 39 10.002 -14.427 -2.260 307 H GLY 32 H GLY 40 6.470 -12.119 -6.239 308 HA2 GLY 32 HA2 GLY 40 4.901 -11.215 -3.971 309 HA3 GLY 32 HA3 GLY 40 5.270 -10.352 -5.446 310 H LYS 33 H LYS 41 4.143 -12.503 -7.258 311 HA LYS 33 HA LYS 41 1.255 -11.975 -6.850 312 HB2 LYS 33 HB2 LYS 41 0.969 -12.585 -9.163 313 HB3 LYS 33 HB3 LYS 41 2.049 -11.263 -8.972 314 HG2 LYS 33 HG2 LYS 41 3.742 -12.283 -10.014 315 HG3 LYS 33 HG3 LYS 41 3.617 -13.740 -9.086 316 HD2 LYS 33 HD2 LYS 41 1.940 -13.066 -11.548 317 HD3 LYS 33 HD3 LYS 41 3.373 -14.044 -11.539 318 HE2 LYS 33 HE2 LYS 41 1.804 -15.740 -11.447 319 HE3 LYS 33 HE3 LYS 41 2.054 -15.500 -9.729 320 HZ1 LYS 33 HZ1 LYS 41 -0.234 -15.617 -10.302 321 HZ2 LYS 33 HZ2 LYS 41 0.109 -14.120 -9.706 322 HZ3 LYS 33 HZ3 LYS 41 -0.105 -14.333 -11.331 323 H ASP 34 H ASP 42 3.576 -14.706 -6.912 324 HA ASP 34 HA ASP 42 1.524 -16.723 -6.777 325 HB2 ASP 34 HB2 ASP 42 4.473 -16.929 -6.095 326 HB3 ASP 34 HB3 ASP 42 3.381 -18.295 -6.123 327 H ILE 35 H ILE 43 3.405 -14.931 -4.285 328 HA ILE 35 HA ILE 43 1.926 -16.424 -2.154 329 HB ILE 35 HB ILE 43 4.423 -14.710 -1.816 330 HG12 ILE 35 HG12 ILE 43 4.372 -17.750 -1.932 331 HG13 ILE 35 HG13 ILE 43 4.892 -16.766 -3.267 332 HG21 ILE 35 HG21 ILE 43 4.626 -15.829 0.384 333 HG22 ILE 35 HG22 ILE 43 3.151 -14.913 0.263 334 HG23 ILE 35 HG23 ILE 43 3.106 -16.665 0.098 335 HD11 ILE 35 HD11 ILE 43 6.955 -17.162 -2.324 336 HD12 ILE 35 HD12 ILE 43 6.563 -15.688 -1.450 337 HD13 ILE 35 HD13 ILE 43 6.329 -17.257 -0.682 338 H LYS 36 H LYS 44 0.475 -15.337 -1.000 339 HA LYS 36 HA LYS 44 0.118 -12.427 -1.289 340 HB2 LYS 36 HB2 LYS 44 -1.560 -14.770 -0.403 341 HB3 LYS 36 HB3 LYS 44 -1.861 -13.270 0.407 342 HG2 LYS 36 HG2 LYS 44 -3.354 -13.598 -1.520 343 HG3 LYS 36 HG3 LYS 44 -2.489 -12.099 -1.517 344 HD2 LYS 36 HD2 LYS 44 -0.885 -13.005 -3.236 345 HD3 LYS 36 HD3 LYS 44 -1.748 -14.522 -3.222 346 HE2 LYS 36 HE2 LYS 44 -3.781 -13.427 -4.109 347 HE3 LYS 36 HE3 LYS 44 -3.061 -11.840 -3.921 348 HZ1 LYS 36 HZ1 LYS 44 -2.923 -12.611 -6.155 349 HZ2 LYS 36 HZ2 LYS 44 -1.415 -12.410 -5.521 350 HZ3 LYS 36 HZ3 LYS 44 -2.032 -13.928 -5.705 351 H GLY 37 H GLY 45 0.591 -10.991 0.202 352 HA2 GLY 37 HA2 GLY 45 1.843 -11.807 2.797 353 HA3 GLY 37 HA3 GLY 45 2.041 -10.287 1.949 354 H VAL 38 H VAL 46 1.479 -9.529 4.170 355 HA VAL 38 HA VAL 46 -1.435 -9.016 4.452 356 HB VAL 38 HB VAL 46 0.411 -9.584 6.827 357 HG11 VAL 38 HG11 VAL 46 -1.692 -9.875 8.092 358 HG12 VAL 38 HG12 VAL 46 -1.593 -8.270 7.400 359 HG13 VAL 38 HG13 VAL 46 -2.631 -9.483 6.661 360 HG21 VAL 38 HG21 VAL 46 -0.702 -11.806 7.110 361 HG22 VAL 38 HG22 VAL 46 -1.443 -11.621 5.525 362 HG23 VAL 38 HG23 VAL 46 0.310 -11.747 5.686 363 H SER 39 H SER 47 -1.889 -7.018 5.520 364 HA SER 39 HA SER 47 0.372 -5.145 5.878 365 HB2 SER 39 HB2 SER 47 -0.810 -3.435 4.692 366 HB3 SER 39 HB3 SER 47 -0.812 -4.830 3.644 367 HG SER 39 HG SER 47 -2.929 -3.830 5.222 368 H GLU 40 H GLU 48 -0.128 -3.339 7.273 369 HA GLU 40 HA GLU 48 -2.542 -3.551 8.967 370 HB2 GLU 40 HB2 GLU 48 -0.369 -4.509 10.103 371 HB3 GLU 40 HB3 GLU 48 0.192 -2.847 10.067 372 HG2 GLU 40 HG2 GLU 48 -1.705 -2.088 11.449 373 HG3 GLU 40 HG3 GLU 48 -2.308 -3.724 11.549 374 H ILE 41 H ILE 49 -3.296 -1.540 9.642 375 HA ILE 41 HA ILE 49 -1.856 0.893 8.757 376 HB ILE 41 HB ILE 49 -4.873 0.602 8.353 377 HG12 ILE 41 HG12 ILE 49 -2.803 0.058 6.230 378 HG13 ILE 41 HG13 ILE 49 -3.918 -1.099 6.838 379 HG21 ILE 41 HG21 ILE 49 -4.596 2.615 6.983 380 HG22 ILE 41 HG22 ILE 49 -3.825 2.881 8.533 381 HG23 ILE 41 HG23 ILE 49 -2.853 2.488 7.115 382 HD11 ILE 41 HD11 ILE 49 -5.023 -0.492 4.884 383 HD12 ILE 41 HD12 ILE 49 -5.787 0.629 6.004 384 HD13 ILE 41 HD13 ILE 49 -4.484 1.181 4.951 385 H VAL 42 H VAL 50 -1.859 2.322 10.474 386 HA VAL 42 HA VAL 50 -4.122 2.257 12.364 387 HB VAL 42 HB VAL 50 -2.671 2.454 14.315 388 HG11 VAL 42 HG11 VAL 50 -2.096 0.109 14.632 389 HG12 VAL 42 HG12 VAL 50 -3.624 0.235 13.771 390 HG13 VAL 42 HG13 VAL 50 -2.150 -0.188 12.903 391 HG21 VAL 42 HG21 VAL 50 -0.287 1.799 14.301 392 HG22 VAL 42 HG22 VAL 50 -0.314 1.727 12.543 393 HG23 VAL 42 HG23 VAL 50 -0.562 3.263 13.378 394 H GLN 43 H GLN 51 -4.714 4.120 13.147 395 HA GLN 43 HA GLN 51 -3.342 6.602 12.227 396 HB2 GLN 43 HB2 GLN 51 -5.571 6.152 11.238 397 HB3 GLN 43 HB3 GLN 51 -6.269 5.956 12.821 398 HG2 GLN 43 HG2 GLN 51 -5.634 8.401 13.323 399 HG3 GLN 43 HG3 GLN 51 -5.112 8.544 11.662 400 HE21 GLN 43 HE21 GLN 51 -7.590 9.375 13.594 401 HE22 GLN 43 HE22 GLN 51 -8.930 9.260 12.482 402 H ASN 44 H ASN 52 -2.304 7.588 13.826 403 HA ASN 44 HA ASN 52 -3.054 7.143 16.705 404 HB2 ASN 44 HB2 ASN 52 -0.298 7.752 15.556 405 HB3 ASN 44 HB3 ASN 52 -0.680 7.258 17.182 406 HD21 ASN 44 HD21 ASN 52 0.805 6.210 14.478 407 HD22 ASN 44 HD22 ASN 52 0.493 4.498 14.586 408 H GLY 45 H GLY 53 -4.521 9.029 15.525 409 HA2 GLY 45 HA2 GLY 53 -5.116 11.248 15.729 410 HA3 GLY 45 HA3 GLY 53 -3.673 11.572 16.683 411 H LYS 46 H LYS 54 -2.142 12.812 15.647 412 HA LYS 46 HA LYS 54 -2.221 13.282 12.809 413 HB2 LYS 46 HB2 LYS 54 -0.817 14.432 15.175 414 HB3 LYS 46 HB3 LYS 54 0.157 14.438 13.747 415 HG2 LYS 46 HG2 LYS 54 -2.644 15.597 13.782 416 HG3 LYS 46 HG3 LYS 54 -1.193 16.523 14.064 417 HD2 LYS 46 HD2 LYS 54 -0.332 15.968 11.812 418 HD3 LYS 46 HD3 LYS 54 -1.675 14.921 11.493 419 HE2 LYS 46 HE2 LYS 54 -2.154 16.952 10.339 420 HE3 LYS 46 HE3 LYS 54 -3.241 16.928 11.711 421 HZ1 LYS 46 HZ1 LYS 54 -2.183 19.041 11.427 422 HZ2 LYS 46 HZ2 LYS 54 -1.692 18.374 12.854 423 HZ3 LYS 46 HZ3 LYS 54 -0.683 18.366 11.551 424 H HIS 47 H HIS 55 -0.233 11.198 14.922 425 HA HIS 47 HA HIS 55 1.584 10.508 12.759 426 HB2 HIS 47 HB2 HIS 55 1.418 9.977 15.649 427 HB3 HIS 47 HB3 HIS 55 1.709 8.493 14.799 428 HD1 HIS 47 HD1 HIS 55 3.615 9.496 12.503 429 HD2 HIS 47 HD2 HIS 55 4.018 10.521 16.579 430 HE1 HIS 47 HE1 HIS 55 6.009 10.153 12.924 431 H PHE 48 H PHE 56 1.876 8.277 12.002 432 HA PHE 48 HA PHE 56 -0.503 6.603 11.827 433 HB2 PHE 48 HB2 PHE 56 -0.563 8.725 10.150 434 HB3 PHE 48 HB3 PHE 56 0.630 7.838 9.275 435 HD1 PHE 48 HD1 PHE 56 -2.895 8.134 10.185 436 HD2 PHE 48 HD2 PHE 56 -0.012 5.529 8.308 437 HE1 PHE 48 HE1 PHE 56 -4.710 6.909 9.053 438 HE2 PHE 48 HE2 PHE 56 -1.831 4.381 7.143 439 HZ PHE 48 HZ PHE 56 -4.184 5.069 7.510 440 H LYS 49 H LYS 57 0.194 4.525 11.517 441 HA LYS 49 HA LYS 57 2.987 4.004 10.604 442 HB2 LYS 49 HB2 LYS 57 1.658 3.329 13.141 443 HB3 LYS 49 HB3 LYS 57 2.083 1.871 12.312 444 HG2 LYS 49 HG2 LYS 57 4.008 4.110 13.042 445 HG3 LYS 49 HG3 LYS 57 3.758 2.642 13.941 446 HD2 LYS 49 HD2 LYS 57 4.465 1.377 11.754 447 HD3 LYS 49 HD3 LYS 57 5.007 2.936 11.200 448 HE2 LYS 49 HE2 LYS 57 6.398 3.092 13.401 449 HE3 LYS 49 HE3 LYS 57 6.043 1.394 13.617 450 HZ1 LYS 49 HZ1 LYS 57 8.109 1.744 12.507 451 HZ2 LYS 49 HZ2 LYS 57 7.066 0.988 11.479 452 HZ3 LYS 49 HZ3 LYS 57 7.388 2.597 11.296 453 H PHE 50 H PHE 58 3.269 2.194 9.297 454 HA PHE 50 HA PHE 58 0.905 0.613 8.515 455 HB2 PHE 50 HB2 PHE 58 1.344 2.673 6.934 456 HB3 PHE 50 HB3 PHE 58 2.788 1.852 6.440 457 HD1 PHE 50 HD1 PHE 58 2.433 -0.700 5.599 458 HD2 PHE 50 HD2 PHE 58 -0.695 2.264 5.819 459 HE1 PHE 50 HE1 PHE 58 1.040 -2.022 4.062 460 HE2 PHE 50 HE2 PHE 58 -2.020 0.938 4.225 461 HZ PHE 50 HZ PHE 58 -1.169 -1.197 3.365 462 H THR 51 H THR 59 1.498 -1.471 8.814 463 HA THR 51 HA THR 59 4.349 -2.320 8.636 464 HB THR 51 HB THR 59 1.885 -3.905 9.503 465 HG1 THR 51 HG1 THR 59 2.516 -3.479 11.576 466 HG21 THR 51 HG21 THR 59 3.420 -5.473 10.580 467 HG22 THR 51 HG22 THR 59 3.656 -5.451 8.845 468 HG23 THR 51 HG23 THR 59 4.798 -4.627 9.899 469 H ILE 52 H ILE 60 5.038 -3.520 6.885 470 HA ILE 52 HA ILE 60 3.030 -4.660 4.977 471 HB ILE 52 HB ILE 60 5.862 -3.641 4.332 472 HG12 ILE 52 HG12 ILE 60 4.376 -2.083 2.758 473 HG13 ILE 52 HG13 ILE 60 3.191 -2.303 3.996 474 HG21 ILE 52 HG21 ILE 60 5.110 -4.057 1.943 475 HG22 ILE 52 HG22 ILE 60 5.280 -5.525 2.874 476 HG23 ILE 52 HG23 ILE 60 3.683 -4.852 2.585 477 HD11 ILE 52 HD11 ILE 60 4.557 -0.240 4.351 478 HD12 ILE 52 HD12 ILE 60 4.865 -1.333 5.679 479 HD13 ILE 52 HD13 ILE 60 6.037 -1.189 4.375 480 H THR 53 H THR 61 2.985 -6.791 5.529 481 HA THR 53 HA THR 61 5.499 -8.245 6.191 482 HB THR 53 HB THR 61 2.543 -8.958 6.475 483 HG1 THR 53 HG1 THR 61 3.203 -9.016 8.700 484 HG21 THR 53 HG21 THR 61 3.286 -10.999 7.721 485 HG22 THR 53 HG22 THR 61 3.697 -11.102 6.026 486 HG23 THR 53 HG23 THR 61 4.942 -10.712 7.204 487 H ALA 54 H ALA 62 6.483 -8.655 4.254 488 HA ALA 54 HA ALA 62 4.967 -9.654 1.930 489 HB1 ALA 54 HB1 ALA 62 7.066 -9.373 0.750 490 HB2 ALA 54 HB2 ALA 62 6.886 -7.952 1.766 491 HB3 ALA 54 HB3 ALA 62 7.977 -9.252 2.248 492 H GLY 55 H GLY 63 6.238 -11.509 0.769 493 HA2 GLY 55 HA2 GLY 63 6.079 -13.914 2.396 494 HA3 GLY 55 HA3 GLY 63 6.373 -13.784 0.677 495 H SER 56 H SER 64 8.433 -12.054 3.076 496 HA SER 56 HA SER 64 10.469 -14.077 3.174 497 HB2 SER 56 HB2 SER 64 10.863 -13.207 0.842 498 HB3 SER 56 HB3 SER 64 11.092 -11.595 1.482 499 HG SER 56 HG SER 64 13.043 -12.749 1.128 500 H LYS 57 H LYS 65 9.422 -10.732 3.837 501 HA LYS 57 HA LYS 65 10.542 -10.769 6.468 502 HB2 LYS 57 HB2 LYS 65 12.122 -8.855 6.171 503 HB3 LYS 57 HB3 LYS 65 12.627 -10.290 5.359 504 HG2 LYS 57 HG2 LYS 65 13.155 -8.601 3.857 505 HG3 LYS 57 HG3 LYS 65 11.749 -9.327 3.167 506 HD2 LYS 57 HD2 LYS 65 10.976 -7.082 4.919 507 HD3 LYS 57 HD3 LYS 65 12.215 -6.569 3.836 508 HE2 LYS 57 HE2 LYS 65 9.694 -7.991 2.863 509 HE3 LYS 57 HE3 LYS 65 9.798 -6.256 3.013 510 HZ1 LYS 57 HZ1 LYS 65 10.302 -6.994 0.809 511 HZ2 LYS 57 HZ2 LYS 65 11.612 -6.255 1.470 512 HZ3 LYS 57 HZ3 LYS 65 11.571 -7.897 1.348 513 H VAL 58 H VAL 66 10.223 -8.530 7.532 514 HA VAL 58 HA VAL 66 7.709 -7.291 6.514 515 HB VAL 58 HB VAL 66 8.561 -7.515 9.435 516 HG11 VAL 58 HG11 VAL 66 6.259 -6.818 9.955 517 HG12 VAL 58 HG12 VAL 66 6.986 -5.602 8.923 518 HG13 VAL 58 HG13 VAL 66 5.853 -6.753 8.248 519 HG21 VAL 58 HG21 VAL 66 6.729 -9.215 9.698 520 HG22 VAL 58 HG22 VAL 66 6.588 -9.294 7.946 521 HG23 VAL 58 HG23 VAL 66 8.071 -9.805 8.739 522 H ILE 59 H ILE 67 7.782 -5.119 6.234 523 HA ILE 59 HA ILE 67 9.926 -3.484 7.524 524 HB ILE 59 HB ILE 67 8.799 -3.288 4.692 525 HG12 ILE 59 HG12 ILE 67 11.704 -3.354 5.605 526 HG13 ILE 59 HG13 ILE 67 10.819 -4.783 5.186 527 HG21 ILE 59 HG21 ILE 67 10.040 -1.142 4.387 528 HG22 ILE 59 HG22 ILE 67 8.821 -0.955 5.594 529 HG23 ILE 59 HG23 ILE 67 10.499 -1.150 6.084 530 HD11 ILE 59 HD11 ILE 67 12.274 -3.870 3.328 531 HD12 ILE 59 HD12 ILE 67 10.603 -4.157 2.885 532 HD13 ILE 59 HD13 ILE 67 11.176 -2.518 3.159 533 H GLN 60 H GLN 68 9.151 -1.725 8.617 534 HA GLN 60 HA GLN 68 6.262 -1.024 8.323 535 HB2 GLN 60 HB2 GLN 68 7.877 -0.685 10.886 536 HB3 GLN 60 HB3 GLN 68 6.165 -0.518 10.642 537 HG2 GLN 60 HG2 GLN 68 6.022 -2.596 11.528 538 HG3 GLN 60 HG3 GLN 68 6.398 -3.143 9.918 539 HE21 GLN 60 HE21 GLN 68 8.107 -4.626 9.854 540 HE22 GLN 60 HE22 GLN 68 9.368 -4.741 11.051 541 H ASN 61 H ASN 69 5.789 1.142 8.189 542 HA ASN 61 HA ASN 69 8.030 3.097 8.239 543 HB2 ASN 61 HB2 ASN 69 5.890 2.707 6.064 544 HB3 ASN 61 HB3 ASN 69 6.812 4.179 6.263 545 HD21 ASN 61 HD21 ASN 69 6.930 0.999 4.939 546 HD22 ASN 61 HD22 ASN 69 8.572 1.091 4.366 547 H GLU 62 H GLU 70 7.594 4.903 9.299 548 HA GLU 62 HA GLU 70 4.807 5.510 10.137 549 HB2 GLU 62 HB2 GLU 70 6.394 4.820 11.961 550 HB3 GLU 62 HB3 GLU 70 7.440 6.139 11.535 551 HG2 GLU 62 HG2 GLU 70 5.677 7.786 12.144 552 HG3 GLU 62 HG3 GLU 70 4.533 6.497 12.438 553 H PHE 63 H PHE 71 4.086 7.564 9.865 554 HA PHE 63 HA PHE 71 5.843 9.742 9.090 555 HB2 PHE 63 HB2 PHE 71 4.635 10.317 7.061 556 HB3 PHE 63 HB3 PHE 71 5.264 8.712 6.877 557 HD1 PHE 63 HD1 PHE 71 3.679 6.739 6.894 558 HD2 PHE 63 HD2 PHE 71 2.220 10.783 7.247 559 HE1 PHE 63 HE1 PHE 71 1.399 5.985 6.359 560 HE2 PHE 63 HE2 PHE 71 -0.058 9.977 6.795 561 HZ PHE 63 HZ PHE 71 -0.464 7.618 6.294 562 H THR 64 H THR 72 4.615 11.822 9.120 563 HA THR 64 HA THR 72 2.220 11.720 10.911 564 HB THR 64 HB THR 72 4.116 14.079 10.569 565 HG1 THR 64 HG1 THR 72 4.977 13.495 12.543 566 HG21 THR 64 HG21 THR 72 3.100 14.814 12.741 567 HG22 THR 64 HG22 THR 72 1.861 14.660 11.506 568 HG23 THR 64 HG23 THR 72 2.059 13.406 12.732 569 H VAL 65 H VAL 73 0.385 12.560 10.092 570 HA VAL 65 HA VAL 73 0.124 13.081 7.337 571 HB VAL 65 HB VAL 73 -1.716 13.481 9.721 572 HG11 VAL 65 HG11 VAL 73 -3.656 13.680 8.146 573 HG12 VAL 65 HG12 VAL 73 -2.626 15.092 8.110 574 HG13 VAL 65 HG13 VAL 73 -2.534 13.901 6.814 575 HG21 VAL 65 HG21 VAL 73 -2.872 11.484 8.876 576 HG22 VAL 65 HG22 VAL 73 -1.778 11.400 7.501 577 HG23 VAL 65 HG23 VAL 73 -1.173 11.131 9.134 578 H GLY 66 H GLY 74 0.569 14.839 6.190 579 HA2 GLY 66 HA2 GLY 74 0.416 17.072 5.570 580 HA3 GLY 66 HA3 GLY 74 0.114 17.580 7.211 581 H GLU 67 H GLU 75 2.756 15.590 7.670 582 HA GLU 67 HA GLU 75 4.743 17.790 7.251 583 HB2 GLU 67 HB2 GLU 75 4.931 15.393 9.107 584 HB3 GLU 67 HB3 GLU 75 6.003 16.752 9.034 585 HG2 GLU 67 HG2 GLU 75 4.170 18.278 9.833 586 HG3 GLU 67 HG3 GLU 75 3.081 16.914 9.947 587 H GLU 68 H GLU 76 6.590 17.357 6.047 588 HA GLU 68 HA GLU 76 6.627 15.116 4.271 589 HB2 GLU 68 HB2 GLU 76 8.553 17.365 4.890 590 HB3 GLU 68 HB3 GLU 76 9.077 16.040 3.896 591 HG2 GLU 68 HG2 GLU 76 7.060 16.459 2.379 592 HG3 GLU 68 HG3 GLU 76 6.745 17.921 3.296 593 H CYS 69 H CYS 77 7.243 13.121 4.621 594 HA CYS 69 HA CYS 77 9.408 12.453 6.547 595 HB2 CYS 69 HB2 CYS 77 6.631 11.153 6.384 596 HB3 CYS 69 HB3 CYS 77 7.977 10.477 7.277 597 HG CYS 69 HG CYS 77 8.330 12.490 8.879 598 H GLU 70 H GLU 78 10.736 10.802 5.798 599 HA GLU 70 HA GLU 78 10.436 9.772 3.127 600 HB2 GLU 70 HB2 GLU 78 12.362 9.323 5.397 601 HB3 GLU 70 HB3 GLU 78 12.218 8.046 4.256 602 HG2 GLU 70 HG2 GLU 78 13.871 9.112 3.186 603 HG3 GLU 70 HG3 GLU 78 12.583 9.981 2.415 604 H LEU 71 H LEU 79 9.439 8.063 2.387 605 HA LEU 71 HA LEU 79 8.316 5.995 4.232 606 HB2 LEU 71 HB2 LEU 79 7.226 7.453 1.777 607 HB3 LEU 71 HB3 LEU 79 6.654 5.869 2.150 608 HG LEU 71 HG LEU 79 6.479 8.235 4.034 609 HD11 LEU 71 HD11 LEU 79 4.496 8.809 3.128 610 HD12 LEU 71 HD12 LEU 79 4.882 7.760 1.770 611 HD13 LEU 71 HD13 LEU 79 3.895 7.164 3.081 612 HD21 LEU 71 HD21 LEU 79 4.647 6.233 4.900 613 HD22 LEU 71 HD22 LEU 79 6.119 5.371 4.544 614 HD23 LEU 71 HD23 LEU 79 6.145 6.711 5.683 615 H GLU 72 H GLU 80 9.606 4.264 4.055 616 HA GLU 72 HA GLU 80 11.108 3.630 1.673 617 HB2 GLU 72 HB2 GLU 80 11.707 3.180 4.192 618 HB3 GLU 72 HB3 GLU 80 10.691 1.776 4.026 619 HG2 GLU 72 HG2 GLU 80 12.161 1.124 1.964 620 HG3 GLU 72 HG3 GLU 80 13.224 2.416 2.434 621 H THR 73 H THR 81 10.908 1.687 0.462 622 HA THR 73 HA THR 81 8.165 0.514 0.218 623 HB THR 73 HB THR 81 10.452 0.823 -1.802 624 HG1 THR 73 HG1 THR 81 9.494 2.761 -1.348 625 HG21 THR 73 HG21 THR 81 8.679 0.299 -3.546 626 HG22 THR 73 HG22 THR 81 9.111 -1.090 -2.588 627 HG23 THR 73 HG23 THR 81 7.607 -0.226 -2.253 628 H MET 74 H MET 82 8.289 -1.830 -0.623 629 HA MET 74 HA MET 82 9.654 -3.572 1.043 630 HB2 MET 74 HB2 MET 82 8.659 -4.151 -1.772 631 HB3 MET 74 HB3 MET 82 8.964 -5.336 -0.544 632 HG2 MET 74 HG2 MET 82 6.686 -5.157 -0.301 633 HG3 MET 74 HG3 MET 82 7.183 -3.974 0.871 634 HE1 MET 74 HE1 MET 82 5.211 -3.145 -3.243 635 HE2 MET 74 HE2 MET 82 6.837 -3.831 -3.179 636 HE3 MET 74 HE3 MET 82 5.464 -4.739 -2.530 637 H THR 75 H THR 83 10.828 -2.033 -1.827 638 HA THR 75 HA THR 83 13.065 -3.754 -2.465 639 HB THR 75 HB THR 83 13.494 -1.860 -4.090 640 HG1 THR 75 HG1 THR 83 11.948 -0.154 -4.109 641 HG21 THR 75 HG21 THR 83 11.403 -1.943 -5.384 642 HG22 THR 75 HG22 THR 83 11.853 -3.557 -4.822 643 HG23 THR 75 HG23 THR 83 10.539 -2.676 -4.047 644 H GLY 76 H GLY 84 12.527 -1.093 -0.228 645 HA2 GLY 76 HA2 GLY 84 14.138 -0.355 1.331 646 HA3 GLY 76 HA3 GLY 84 15.453 -0.712 0.243 647 H GLU 77 H GLU 85 13.027 0.781 -1.642 648 HA GLU 77 HA GLU 85 14.499 3.238 -1.939 649 HB2 GLU 77 HB2 GLU 85 11.852 2.220 -3.049 650 HB3 GLU 77 HB3 GLU 85 12.558 3.733 -3.528 651 HG2 GLU 77 HG2 GLU 85 14.530 2.635 -4.474 652 HG3 GLU 77 HG3 GLU 85 14.042 1.076 -3.872 653 H LYS 78 H LYS 86 14.441 4.716 -0.303 654 HA LYS 78 HA LYS 86 11.839 5.496 0.888 655 HB2 LYS 78 HB2 LYS 86 13.121 6.527 2.648 656 HB3 LYS 78 HB3 LYS 86 13.477 4.840 2.474 657 HG2 LYS 78 HG2 LYS 86 15.610 5.540 1.167 658 HG3 LYS 78 HG3 LYS 86 15.232 7.187 1.593 659 HD2 LYS 78 HD2 LYS 86 16.854 6.395 3.168 660 HD3 LYS 78 HD3 LYS 86 15.349 6.583 4.024 661 HE2 LYS 78 HE2 LYS 86 14.945 4.109 3.940 662 HE3 LYS 78 HE3 LYS 86 16.383 3.896 2.959 663 HZ1 LYS 78 HZ1 LYS 86 16.763 3.419 5.237 664 HZ2 LYS 78 HZ2 LYS 86 17.675 4.720 4.790 665 HZ3 LYS 78 HZ3 LYS 86 16.314 4.937 5.699 666 H VAL 79 H VAL 87 10.905 7.339 0.558 667 HA VAL 79 HA VAL 87 12.203 9.522 -0.928 668 HB VAL 79 HB VAL 87 9.987 9.514 -2.354 669 HG11 VAL 79 HG11 VAL 87 11.050 8.252 -4.155 670 HG12 VAL 79 HG12 VAL 87 12.230 9.265 -3.336 671 HG13 VAL 79 HG13 VAL 87 12.190 7.531 -3.027 672 HG21 VAL 79 HG21 VAL 87 9.009 7.353 -2.891 673 HG22 VAL 79 HG22 VAL 87 10.104 6.510 -1.813 674 HG23 VAL 79 HG23 VAL 87 8.878 7.577 -1.150 675 H LYS 80 H LYS 88 11.536 11.438 -0.344 676 HA LYS 80 HA LYS 88 9.929 11.685 2.022 677 HB2 LYS 80 HB2 LYS 88 12.178 12.839 1.068 678 HB3 LYS 80 HB3 LYS 88 11.077 14.052 0.505 679 HG2 LYS 80 HG2 LYS 88 10.402 14.500 2.838 680 HG3 LYS 80 HG3 LYS 88 11.134 13.025 3.401 681 HD2 LYS 80 HD2 LYS 88 12.594 14.803 4.047 682 HD3 LYS 80 HD3 LYS 88 13.404 13.886 2.812 683 HE2 LYS 80 HE2 LYS 88 12.747 15.632 1.097 684 HE3 LYS 80 HE3 LYS 88 11.982 16.564 2.374 685 HZ1 LYS 80 HZ1 LYS 88 14.191 17.302 1.922 686 HZ2 LYS 80 HZ2 LYS 88 14.115 16.695 3.455 687 HZ3 LYS 80 HZ3 LYS 88 14.818 15.810 2.253 688 H THR 81 H THR 89 7.844 12.342 2.226 689 HA THR 81 HA THR 89 6.442 13.844 0.175 690 HB THR 81 HB THR 89 6.427 11.516 -0.802 691 HG1 THR 81 HG1 THR 89 4.126 11.338 -0.899 692 HG21 THR 81 HG21 THR 89 5.027 9.736 0.273 693 HG22 THR 81 HG22 THR 89 6.450 10.085 1.250 694 HG23 THR 81 HG23 THR 89 4.862 10.690 1.716 695 H VAL 82 H VAL 90 4.234 14.285 0.753 696 HA VAL 82 HA VAL 90 3.537 14.000 3.641 697 HB VAL 82 HB VAL 90 1.910 15.789 3.213 698 HG11 VAL 82 HG11 VAL 90 3.443 17.695 3.200 699 HG12 VAL 82 HG12 VAL 90 4.051 16.380 4.184 700 HG13 VAL 82 HG13 VAL 90 4.737 16.670 2.588 701 HG21 VAL 82 HG21 VAL 90 2.104 17.286 1.192 702 HG22 VAL 82 HG22 VAL 90 3.125 16.085 0.423 703 HG23 VAL 82 HG23 VAL 90 1.446 15.713 0.807 704 H VAL 83 H VAL 91 1.545 13.142 4.154 705 HA VAL 83 HA VAL 91 -0.167 12.025 1.974 706 HB VAL 83 HB VAL 91 0.234 10.889 4.768 707 HG11 VAL 83 HG11 VAL 91 -0.955 8.876 3.897 708 HG12 VAL 83 HG12 VAL 91 -1.956 10.308 3.816 709 HG13 VAL 83 HG13 VAL 91 -1.195 9.693 2.353 710 HG21 VAL 83 HG21 VAL 91 1.489 8.981 3.823 711 HG22 VAL 83 HG22 VAL 91 1.533 9.761 2.255 712 HG23 VAL 83 HG23 VAL 91 2.363 10.482 3.626 713 H GLN 84 H GLN 92 -2.193 12.867 2.040 714 HA GLN 84 HA GLN 92 -3.223 14.085 4.565 715 HB2 GLN 84 HB2 GLN 92 -3.091 15.227 1.757 716 HB3 GLN 84 HB3 GLN 92 -4.324 15.761 2.852 717 HG2 GLN 84 HG2 GLN 92 -2.952 17.087 4.060 718 HG3 GLN 84 HG3 GLN 92 -1.746 15.848 4.245 719 HE21 GLN 84 HE21 GLN 92 0.081 17.068 3.878 720 HE22 GLN 84 HE22 GLN 92 0.424 17.857 2.362 721 H LEU 85 H LEU 93 -5.279 13.788 5.058 722 HA LEU 85 HA LEU 93 -6.858 11.856 3.536 723 HB2 LEU 85 HB2 LEU 93 -6.555 11.957 6.141 724 HB3 LEU 85 HB3 LEU 93 -7.555 13.364 6.092 725 HG LEU 85 HG LEU 93 -9.305 11.826 4.862 726 HD11 LEU 85 HD11 LEU 93 -9.138 9.504 5.042 727 HD12 LEU 85 HD12 LEU 93 -7.480 9.928 4.657 728 HD13 LEU 85 HD13 LEU 93 -7.920 9.571 6.314 729 HD21 LEU 85 HD21 LEU 93 -10.171 10.984 7.062 730 HD22 LEU 85 HD22 LEU 93 -8.673 11.511 7.824 731 HD23 LEU 85 HD23 LEU 93 -9.750 12.691 7.084 732 H GLU 86 H GLU 94 -8.656 12.400 2.305 733 HA GLU 86 HA GLU 94 -9.331 15.241 1.904 734 HB2 GLU 86 HB2 GLU 94 -10.611 14.441 -0.001 735 HB3 GLU 86 HB3 GLU 94 -8.973 13.877 -0.053 736 HG2 GLU 86 HG2 GLU 94 -9.685 11.637 0.761 737 HG3 GLU 86 HG3 GLU 94 -11.349 12.162 0.867 738 H GLY 87 H GLY 95 -10.068 13.561 4.429 739 HA2 GLY 87 HA2 GLY 95 -11.715 13.722 5.999 740 HA3 GLY 87 HA3 GLY 95 -12.589 14.834 4.965 741 H ASP 88 H ASP 96 -11.842 11.813 3.403 742 HA ASP 88 HA ASP 96 -14.444 10.569 4.028 743 HB2 ASP 88 HB2 ASP 96 -14.784 12.245 2.151 744 HB3 ASP 88 HB3 ASP 96 -13.578 11.378 1.212 745 H ASN 89 H ASN 97 -12.376 9.506 5.105 746 HA ASN 89 HA ASN 97 -11.092 7.784 5.324 747 HB2 ASN 89 HB2 ASN 97 -12.372 5.519 4.648 748 HB3 ASN 89 HB3 ASN 97 -12.917 6.605 5.864 749 HD21 ASN 89 HD21 ASN 97 -13.662 5.491 2.578 750 HD22 ASN 89 HD22 ASN 97 -15.257 6.205 2.536 751 H LYS 90 H LYS 98 -10.110 9.143 3.097 752 HA LYS 90 HA LYS 98 -8.768 7.063 1.470 753 HB2 LYS 90 HB2 LYS 98 -10.277 9.554 0.576 754 HB3 LYS 90 HB3 LYS 98 -9.179 8.742 -0.494 755 HG2 LYS 90 HG2 LYS 98 -10.609 6.907 -0.804 756 HG3 LYS 90 HG3 LYS 98 -11.479 7.153 0.676 757 HD2 LYS 90 HD2 LYS 98 -12.242 9.440 -0.465 758 HD3 LYS 90 HD3 LYS 98 -11.703 8.690 -1.929 759 HE2 LYS 90 HE2 LYS 98 -13.488 6.868 -0.391 760 HE3 LYS 90 HE3 LYS 98 -14.225 8.428 -0.640 761 HZ1 LYS 90 HZ1 LYS 98 -14.737 7.020 -2.418 762 HZ2 LYS 90 HZ2 LYS 98 -13.766 8.228 -2.980 763 HZ3 LYS 90 HZ3 LYS 98 -13.156 6.706 -2.753 764 H LEU 91 H LEU 99 -6.598 7.460 1.412 765 HA LEU 91 HA LEU 99 -5.550 10.129 2.257 766 HB2 LEU 91 HB2 LEU 99 -4.413 7.304 2.419 767 HB3 LEU 91 HB3 LEU 99 -3.413 8.697 2.617 768 HG LEU 91 HG LEU 99 -5.857 8.199 4.345 769 HD11 LEU 91 HD11 LEU 99 -4.186 7.437 6.098 770 HD12 LEU 91 HD12 LEU 99 -4.467 6.307 4.783 771 HD13 LEU 91 HD13 LEU 99 -2.996 7.288 4.811 772 HD21 LEU 91 HD21 LEU 99 -5.360 10.147 5.414 773 HD22 LEU 91 HD22 LEU 99 -3.672 9.729 5.585 774 HD23 LEU 91 HD23 LEU 99 -4.231 10.515 4.125 775 H VAL 92 H VAL 100 -4.347 11.289 0.846 776 HA VAL 92 HA VAL 100 -3.618 10.089 -1.800 777 HB VAL 92 HB VAL 100 -4.431 12.943 -1.076 778 HG11 VAL 92 HG11 VAL 100 -4.350 13.392 -3.554 779 HG12 VAL 92 HG12 VAL 100 -2.764 13.110 -2.875 780 HG13 VAL 92 HG13 VAL 100 -3.567 11.833 -3.787 781 HG21 VAL 92 HG21 VAL 100 -6.390 12.543 -2.572 782 HG22 VAL 92 HG22 VAL 100 -5.908 10.857 -2.740 783 HG23 VAL 92 HG23 VAL 100 -6.410 11.488 -1.176 784 H THR 93 H THR 101 -1.507 10.294 -2.443 785 HA THR 93 HA THR 101 0.315 12.191 -1.212 786 HB THR 93 HB THR 101 0.344 10.460 0.497 787 HG1 THR 93 HG1 THR 101 2.314 11.342 0.097 788 HG21 THR 93 HG21 THR 101 1.076 8.160 0.167 789 HG22 THR 93 HG22 THR 101 -0.358 8.434 -0.804 790 HG23 THR 93 HG23 THR 101 1.250 8.405 -1.561 791 H THR 94 H THR 102 2.161 12.577 -2.396 792 HA THR 94 HA THR 102 2.675 11.072 -4.888 793 HB THR 94 HB THR 102 2.922 13.394 -6.031 794 HG1 THR 94 HG1 THR 102 2.800 14.615 -4.132 795 HG21 THR 94 HG21 THR 102 0.472 13.702 -6.513 796 HG22 THR 94 HG22 THR 102 1.071 12.084 -6.780 797 HG23 THR 94 HG23 THR 102 0.106 12.441 -5.340 798 H PHE 95 H PHE 103 4.778 10.998 -5.407 799 HA PHE 95 HA PHE 103 6.755 12.223 -3.564 800 HB2 PHE 95 HB2 PHE 103 7.167 9.963 -5.587 801 HB3 PHE 95 HB3 PHE 103 8.202 10.417 -4.267 802 HD1 PHE 95 HD1 PHE 103 5.012 8.802 -5.218 803 HD2 PHE 95 HD2 PHE 103 7.633 9.704 -1.928 804 HE1 PHE 95 HE1 PHE 103 3.824 7.170 -3.822 805 HE2 PHE 95 HE2 PHE 103 6.438 8.048 -0.556 806 HZ PHE 95 HZ PHE 103 4.534 6.805 -1.482 807 H LYS 96 H LYS 104 6.490 11.372 -7.064 808 HA LYS 96 HA LYS 104 7.676 13.945 -7.908 809 HB2 LYS 96 HB2 LYS 104 8.739 11.177 -8.699 810 HB3 LYS 96 HB3 LYS 104 9.132 12.658 -9.527 811 HG2 LYS 96 HG2 LYS 104 10.194 13.561 -7.458 812 HG3 LYS 96 HG3 LYS 104 9.827 12.071 -6.621 813 HD2 LYS 96 HD2 LYS 104 11.171 10.792 -8.323 814 HD3 LYS 96 HD3 LYS 104 11.590 12.297 -9.102 815 HE2 LYS 96 HE2 LYS 104 12.750 13.078 -7.027 816 HE3 LYS 96 HE3 LYS 104 12.290 11.597 -6.202 817 HZ1 LYS 96 HZ1 LYS 104 14.497 11.474 -7.049 818 HZ2 LYS 96 HZ2 LYS 104 13.548 10.364 -7.813 819 HZ3 LYS 96 HZ3 LYS 104 13.984 11.749 -8.591 820 H ASN 97 H ASN 105 6.711 10.750 -9.239 821 HA ASN 97 HA ASN 105 4.620 11.969 -10.950 822 HB2 ASN 97 HB2 ASN 105 5.534 10.955 -12.935 823 HB3 ASN 97 HB3 ASN 105 6.773 11.948 -12.232 824 HD21 ASN 97 HD21 ASN 105 6.604 9.313 -13.975 825 HD22 ASN 97 HD22 ASN 105 7.851 8.325 -13.263 826 H ILE 98 H ILE 106 4.961 9.987 -8.523 827 HA ILE 98 HA ILE 106 3.247 7.785 -9.580 828 HB ILE 98 HB ILE 106 4.990 7.913 -7.096 829 HG12 ILE 98 HG12 ILE 106 5.448 6.154 -9.493 830 HG13 ILE 98 HG13 ILE 106 6.270 7.666 -9.278 831 HG21 ILE 98 HG21 ILE 106 4.422 5.498 -6.782 832 HG22 ILE 98 HG22 ILE 106 2.993 6.488 -6.666 833 HG23 ILE 98 HG23 ILE 106 3.309 5.581 -8.142 834 HD11 ILE 98 HD11 ILE 106 7.837 6.215 -8.374 835 HD12 ILE 98 HD12 ILE 106 6.966 6.631 -6.904 836 HD13 ILE 98 HD13 ILE 106 6.631 5.110 -7.732 837 H LYS 99 H LYS 107 1.149 8.418 -9.229 838 HA LYS 99 HA LYS 107 0.449 10.045 -6.840 839 HB2 LYS 99 HB2 LYS 107 -0.062 10.957 -9.061 840 HB3 LYS 99 HB3 LYS 107 -1.005 9.552 -9.473 841 HG2 LYS 99 HG2 LYS 107 -2.632 10.081 -7.648 842 HG3 LYS 99 HG3 LYS 107 -1.670 11.444 -7.156 843 HD2 LYS 99 HD2 LYS 107 -2.986 11.143 -9.898 844 HD3 LYS 99 HD3 LYS 107 -3.704 11.988 -8.556 845 HE2 LYS 99 HE2 LYS 107 -1.754 13.604 -8.544 846 HE3 LYS 99 HE3 LYS 107 -1.083 12.784 -9.943 847 HZ1 LYS 99 HZ1 LYS 107 -2.341 14.678 -10.569 848 HZ2 LYS 99 HZ2 LYS 107 -3.067 13.318 -11.153 849 HZ3 LYS 99 HZ3 LYS 107 -3.700 14.095 -9.843 850 H SER 100 H SER 108 0.215 8.710 -5.168 851 HA SER 100 HA SER 108 -1.277 6.192 -5.369 852 HB2 SER 100 HB2 SER 108 -0.287 7.412 -2.789 853 HB3 SER 100 HB3 SER 108 -0.393 5.734 -3.237 854 HG SER 100 HG SER 108 1.742 6.544 -3.174 855 H VAL 101 H VAL 109 -3.439 6.102 -4.961 856 HA VAL 101 HA VAL 109 -4.706 8.080 -3.122 857 HB VAL 101 HB VAL 109 -5.878 6.987 -5.724 858 HG11 VAL 101 HG11 VAL 109 -7.865 8.434 -5.191 859 HG12 VAL 101 HG12 VAL 109 -7.695 7.117 -4.056 860 HG13 VAL 101 HG13 VAL 109 -7.197 8.740 -3.593 861 HG21 VAL 101 HG21 VAL 109 -6.001 9.381 -6.421 862 HG22 VAL 101 HG22 VAL 109 -5.107 9.841 -4.976 863 HG23 VAL 101 HG23 VAL 109 -4.350 8.837 -6.210 864 H THR 102 H THR 110 -4.939 6.883 -1.384 865 HA THR 102 HA THR 110 -5.659 4.034 -1.392 866 HB THR 102 HB THR 110 -5.388 6.061 0.887 867 HG1 THR 102 HG1 THR 110 -3.474 5.871 -0.201 868 HG21 THR 102 HG21 THR 110 -4.949 4.083 2.354 869 HG22 THR 102 HG22 THR 110 -6.578 4.064 1.731 870 HG23 THR 102 HG23 THR 110 -5.361 3.005 1.022 871 H GLU 103 H GLU 111 -7.643 3.254 -0.540 872 HA GLU 103 HA GLU 111 -9.706 5.101 0.367 873 HB2 GLU 103 HB2 GLU 111 -10.101 5.071 -2.053 874 HB3 GLU 103 HB3 GLU 111 -10.015 3.344 -2.115 875 HG2 GLU 103 HG2 GLU 111 -12.083 3.112 -0.779 876 HG3 GLU 103 HG3 GLU 111 -12.198 4.851 -0.608 877 H LEU 104 H LEU 112 -11.005 4.226 1.858 878 HA LEU 104 HA LEU 112 -10.792 1.321 2.494 879 HB2 LEU 104 HB2 LEU 112 -9.409 2.667 3.978 880 HB3 LEU 104 HB3 LEU 112 -10.701 3.745 4.373 881 HG LEU 104 HG LEU 112 -10.909 0.767 4.952 882 HD11 LEU 104 HD11 LEU 112 -9.922 1.094 7.137 883 HD12 LEU 104 HD12 LEU 112 -8.766 1.675 5.947 884 HD13 LEU 104 HD13 LEU 112 -9.742 2.826 6.856 885 HD21 LEU 104 HD21 LEU 112 -12.145 2.220 7.046 886 HD22 LEU 104 HD22 LEU 112 -12.615 3.085 5.599 887 HD23 LEU 104 HD23 LEU 112 -12.949 1.364 5.748 888 H ASN 105 H ASN 113 -12.711 0.370 2.397 889 HA ASN 105 HA ASN 113 -15.213 1.897 2.840 890 HB2 ASN 105 HB2 ASN 113 -14.432 0.028 0.541 891 HB3 ASN 105 HB3 ASN 113 -16.081 0.049 1.092 892 HD21 ASN 105 HD21 ASN 113 -13.794 2.833 0.620 893 HD22 ASN 105 HD22 ASN 113 -14.863 3.655 -0.488 894 H GLY 106 H GLY 114 -15.035 1.156 5.014 895 HA2 GLY 106 HA2 GLY 114 -15.483 -0.176 6.794 896 HA3 GLY 106 HA3 GLY 114 -16.361 -1.238 5.707 897 H ASP 107 H ASP 115 -15.554 -3.250 5.498 898 HA ASP 107 HA ASP 115 -12.906 -3.938 6.514 899 HB2 ASP 107 HB2 ASP 115 -15.172 -5.752 5.637 900 HB3 ASP 107 HB3 ASP 115 -13.688 -6.295 6.409 901 H ILE 108 H ILE 116 -13.431 -2.642 3.698 902 HA ILE 108 HA ILE 116 -11.597 -4.500 2.245 903 HB ILE 108 HB ILE 116 -13.811 -2.789 1.014 904 HG12 ILE 108 HG12 ILE 116 -14.903 -4.648 2.137 905 HG13 ILE 108 HG13 ILE 116 -15.041 -4.761 0.421 906 HG21 ILE 108 HG21 ILE 116 -13.287 -3.998 -1.117 907 HG22 ILE 108 HG22 ILE 116 -11.961 -2.997 -0.575 908 HG23 ILE 108 HG23 ILE 116 -11.894 -4.740 -0.337 909 HD11 ILE 108 HD11 ILE 116 -14.447 -6.919 1.851 910 HD12 ILE 108 HD12 ILE 116 -13.701 -6.689 0.274 911 HD13 ILE 108 HD13 ILE 116 -12.793 -6.342 1.737 912 H ILE 109 H ILE 117 -9.793 -3.561 1.536 913 HA ILE 109 HA ILE 117 -9.558 -0.577 1.464 914 HB ILE 109 HB ILE 117 -7.387 -2.708 1.422 915 HG12 ILE 109 HG12 ILE 117 -8.313 -2.741 3.610 916 HG13 ILE 109 HG13 ILE 117 -6.740 -2.024 3.689 917 HG21 ILE 109 HG21 ILE 117 -5.766 -0.836 1.825 918 HG22 ILE 109 HG22 ILE 117 -6.522 -0.761 0.253 919 HG23 ILE 109 HG23 ILE 117 -7.062 0.317 1.533 920 HD11 ILE 109 HD11 ILE 117 -7.790 -0.393 4.942 921 HD12 ILE 109 HD12 ILE 117 -8.397 0.253 3.427 922 HD13 ILE 109 HD13 ILE 117 -9.383 -0.862 4.364 923 H THR 110 H THR 118 -9.095 0.344 -0.473 924 HA THR 110 HA THR 118 -8.404 -1.325 -2.840 925 HB THR 110 HB THR 118 -10.530 0.888 -2.676 926 HG1 THR 110 HG1 THR 118 -11.822 -0.809 -3.537 927 HG21 THR 110 HG21 THR 118 -10.905 0.476 -5.127 928 HG22 THR 110 HG22 THR 118 -9.328 1.179 -4.841 929 HG23 THR 110 HG23 THR 118 -9.470 -0.545 -5.173 930 H ASN 111 H ASN 119 -6.354 -0.623 -3.277 931 HA ASN 111 HA ASN 119 -5.734 2.313 -3.042 932 HB2 ASN 111 HB2 ASN 119 -4.301 0.245 -1.955 933 HB3 ASN 111 HB3 ASN 119 -3.599 0.207 -3.546 934 HD21 ASN 111 HD21 ASN 119 -3.835 1.824 -0.479 935 HD22 ASN 111 HD22 ASN 119 -2.804 3.186 -0.808 936 H THR 112 H THR 120 -4.945 3.435 -4.727 937 HA THR 112 HA THR 120 -4.706 2.139 -7.364 938 HB THR 112 HB THR 120 -6.449 4.599 -6.797 939 HG1 THR 112 HG1 THR 120 -7.444 2.645 -6.342 940 HG21 THR 112 HG21 THR 120 -7.031 4.492 -9.243 941 HG22 THR 112 HG22 THR 120 -5.342 4.901 -9.019 942 HG23 THR 112 HG23 THR 120 -5.792 3.265 -9.483 943 H MET 113 H MET 121 -2.603 2.406 -7.551 944 HA MET 113 HA MET 121 -1.278 5.041 -7.246 945 HB2 MET 113 HB2 MET 121 -0.329 2.179 -7.717 946 HB3 MET 113 HB3 MET 121 0.717 3.547 -7.913 947 HG2 MET 113 HG2 MET 121 -0.659 3.665 -5.302 948 HG3 MET 113 HG3 MET 121 0.181 2.153 -5.506 949 HE1 MET 113 HE1 MET 121 3.899 3.115 -5.874 950 HE2 MET 113 HE2 MET 121 2.722 1.814 -5.649 951 HE3 MET 113 HE3 MET 121 2.778 2.705 -7.176 952 H THR 114 H THR 122 -0.285 6.039 -9.031 953 HA THR 114 HA THR 122 -0.626 4.861 -11.730 954 HB THR 114 HB THR 122 -1.498 7.681 -10.932 955 HG1 THR 114 HG1 THR 122 -3.454 6.929 -11.898 956 HG21 THR 114 HG21 THR 122 -2.151 7.947 -13.366 957 HG22 THR 114 HG22 THR 122 -0.415 7.894 -13.152 958 HG23 THR 114 HG23 THR 122 -1.264 6.473 -13.743 959 H LEU 115 H LEU 123 1.439 4.550 -12.235 960 HA LEU 115 HA LEU 123 3.432 6.739 -11.881 961 HB2 LEU 115 HB2 LEU 123 4.057 4.836 -10.529 962 HB3 LEU 115 HB3 LEU 123 3.663 3.708 -11.779 963 HG LEU 115 HG LEU 123 5.554 4.317 -13.138 964 HD11 LEU 115 HD11 LEU 123 6.587 6.293 -13.111 965 HD12 LEU 115 HD12 LEU 123 5.651 6.837 -11.734 966 HD13 LEU 115 HD13 LEU 123 7.174 6.019 -11.480 967 HD21 LEU 115 HD21 LEU 123 7.423 3.659 -11.611 968 HD22 LEU 115 HD22 LEU 123 6.297 3.751 -10.258 969 HD23 LEU 115 HD23 LEU 123 6.020 2.604 -11.571 970 H GLY 116 H GLY 124 3.550 7.780 -13.785 971 HA2 GLY 116 HA2 GLY 124 3.872 8.194 -16.009 972 HA3 GLY 116 HA3 GLY 124 4.491 6.558 -16.181 973 H ASP 117 H ASP 125 3.344 5.437 -17.693 974 HA ASP 117 HA ASP 125 0.464 5.949 -18.127 975 HB2 ASP 117 HB2 ASP 125 2.360 4.410 -19.924 976 HB3 ASP 117 HB3 ASP 125 0.671 4.793 -20.243 977 H ILE 118 H ILE 126 1.835 4.105 -15.902 978 HA ILE 118 HA ILE 126 0.030 1.761 -16.407 979 HB ILE 118 HB ILE 126 2.682 1.862 -14.914 980 HG12 ILE 118 HG12 ILE 126 1.877 0.264 -17.380 981 HG13 ILE 118 HG13 ILE 126 2.810 1.728 -17.437 982 HG21 ILE 118 HG21 ILE 126 2.346 -0.628 -14.542 983 HG22 ILE 118 HG22 ILE 126 1.213 0.332 -13.638 984 HG23 ILE 118 HG23 ILE 126 0.702 -0.468 -15.122 985 HD11 ILE 118 HD11 ILE 126 4.647 0.407 -17.336 986 HD12 ILE 118 HD12 ILE 126 4.294 0.201 -15.625 987 HD13 ILE 118 HD13 ILE 126 3.724 -0.989 -16.793 988 H VAL 119 H VAL 127 -1.430 1.274 -14.872 989 HA VAL 119 HA VAL 127 -1.509 2.940 -12.395 990 HB VAL 119 HB VAL 127 -3.848 1.846 -14.018 991 HG11 VAL 119 HG11 VAL 127 -5.309 3.126 -12.540 992 HG12 VAL 119 HG12 VAL 127 -4.330 2.091 -11.518 993 HG13 VAL 119 HG13 VAL 127 -3.943 3.791 -11.664 994 HG21 VAL 119 HG21 VAL 127 -4.350 4.231 -14.566 995 HG22 VAL 119 HG22 VAL 127 -2.821 4.708 -13.836 996 HG23 VAL 119 HG23 VAL 127 -2.839 3.697 -15.277 997 H PHE 120 H PHE 128 -0.546 1.512 -10.986 998 HA PHE 120 HA PHE 128 -1.347 -1.278 -10.754 999 HB2 PHE 120 HB2 PHE 128 0.896 -0.680 -10.235 1000 HB3 PHE 120 HB3 PHE 128 0.447 0.580 -9.140 1001 HD1 PHE 120 HD1 PHE 128 -0.146 -3.121 -9.615 1002 HD2 PHE 120 HD2 PHE 128 0.713 0.055 -6.824 1003 HE1 PHE 120 HE1 PHE 128 0.005 -4.743 -7.791 1004 HE2 PHE 120 HE2 PHE 128 0.880 -1.610 -5.015 1005 HZ PHE 120 HZ PHE 128 0.527 -4.005 -5.492 1006 H LYS 121 H LYS 129 -3.056 -2.063 -9.602 1007 HA LYS 121 HA LYS 129 -4.083 -0.429 -7.337 1008 HB2 LYS 121 HB2 LYS 129 -5.805 -2.161 -9.181 1009 HB3 LYS 121 HB3 LYS 129 -6.309 -1.444 -7.700 1010 HG2 LYS 121 HG2 LYS 129 -7.062 0.295 -8.864 1011 HG3 LYS 121 HG3 LYS 129 -5.419 0.817 -8.926 1012 HD2 LYS 121 HD2 LYS 129 -6.324 0.990 -11.131 1013 HD3 LYS 121 HD3 LYS 129 -5.088 -0.235 -11.133 1014 HE2 LYS 121 HE2 LYS 129 -7.070 -0.878 -12.501 1015 HE3 LYS 121 HE3 LYS 129 -6.769 -2.022 -11.225 1016 HZ1 LYS 121 HZ1 LYS 129 -9.051 -1.513 -11.372 1017 HZ2 LYS 121 HZ2 LYS 129 -8.481 -0.967 -9.932 1018 HZ3 LYS 121 HZ3 LYS 129 -8.789 0.106 -11.151 1019 H ARG 122 H ARG 130 -4.946 -1.635 -5.592 1020 HA ARG 122 HA ARG 130 -4.182 -4.458 -5.349 1021 HB2 ARG 122 HB2 ARG 130 -2.096 -3.188 -4.833 1022 HB3 ARG 122 HB3 ARG 130 -2.954 -2.235 -3.651 1023 HG2 ARG 122 HG2 ARG 130 -3.388 -4.386 -2.303 1024 HG3 ARG 122 HG3 ARG 130 -2.528 -5.218 -3.567 1025 HD2 ARG 122 HD2 ARG 130 -0.461 -4.373 -3.029 1026 HD3 ARG 122 HD3 ARG 130 -1.029 -2.966 -2.164 1027 HE ARG 122 HE ARG 130 -0.495 -5.694 -1.316 1028 HH11 ARG 122 HH11 ARG 130 -2.557 -2.907 -0.474 1029 HH12 ARG 122 HH12 ARG 130 -3.000 -3.546 1.089 1030 HH21 ARG 122 HH21 ARG 130 -1.040 -6.468 0.771 1031 HH22 ARG 122 HH22 ARG 130 -2.105 -5.556 1.814 1032 H ILE 123 H ILE 131 -5.647 -5.514 -4.186 1033 HA ILE 123 HA ILE 131 -7.616 -3.986 -2.554 1034 HB ILE 123 HB ILE 131 -7.929 -6.723 -3.891 1035 HG12 ILE 123 HG12 ILE 131 -9.763 -5.279 -5.208 1036 HG13 ILE 123 HG13 ILE 131 -8.708 -3.954 -4.848 1037 HG21 ILE 123 HG21 ILE 131 -10.347 -6.474 -3.328 1038 HG22 ILE 123 HG22 ILE 131 -9.375 -6.535 -1.884 1039 HG23 ILE 123 HG23 ILE 131 -9.995 -4.988 -2.453 1040 HD11 ILE 123 HD11 ILE 131 -8.463 -5.307 -7.114 1041 HD12 ILE 123 HD12 ILE 131 -6.988 -4.832 -6.292 1042 HD13 ILE 123 HD13 ILE 131 -7.587 -6.487 -6.160 1043 H SER 124 H SER 132 -7.890 -4.585 -0.447 1044 HA SER 124 HA SER 132 -6.794 -7.147 0.532 1045 HB2 SER 124 HB2 SER 132 -6.233 -4.414 1.836 1046 HB3 SER 124 HB3 SER 132 -5.967 -5.951 2.608 1047 HG SER 124 HG SER 132 -4.512 -6.504 1.029 1048 H LYS 125 H LYS 133 -7.769 -7.838 2.545 1049 HA LYS 125 HA LYS 133 -10.469 -6.689 3.102 1050 HB2 LYS 125 HB2 LYS 133 -10.640 -8.792 1.816 1051 HB3 LYS 125 HB3 LYS 133 -9.584 -9.598 2.947 1052 HG2 LYS 125 HG2 LYS 133 -11.378 -9.185 4.758 1053 HG3 LYS 125 HG3 LYS 133 -12.399 -8.565 3.488 1054 HD2 LYS 125 HD2 LYS 133 -12.130 -10.817 2.299 1055 HD3 LYS 125 HD3 LYS 133 -11.188 -11.375 3.648 1056 HE2 LYS 125 HE2 LYS 133 -13.400 -12.221 3.997 1057 HE3 LYS 125 HE3 LYS 133 -13.209 -10.931 5.169 1058 HZ1 LYS 125 HZ1 LYS 133 -15.295 -10.820 4.025 1059 HZ2 LYS 125 HZ2 LYS 133 -14.395 -9.493 3.645 1060 HZ3 LYS 125 HZ3 LYS 133 -14.551 -10.720 2.557 1061 H ARG 126 H ARG 134 -10.887 -6.316 5.201 1062 HA ARG 126 HA ARG 134 -8.790 -6.246 7.106 1063 HB2 ARG 126 HB2 ARG 134 -10.755 -4.695 6.707 1064 HB3 ARG 126 HB3 ARG 134 -11.781 -5.812 7.546 1065 HG2 ARG 126 HG2 ARG 134 -9.291 -4.499 8.845 1066 HG3 ARG 126 HG3 ARG 134 -10.840 -3.753 8.699 1067 HD2 ARG 126 HD2 ARG 134 -10.765 -6.393 10.066 1068 HD3 ARG 126 HD3 ARG 134 -10.363 -4.959 10.968 1069 HE ARG 126 HE ARG 134 -12.829 -4.629 9.491 1070 HH11 ARG 126 HH11 ARG 134 -11.591 -6.664 12.143 1071 HH12 ARG 126 HH12 ARG 134 -13.181 -6.990 12.778 1072 HH21 ARG 126 HH21 ARG 134 -14.853 -5.119 10.282 1073 HH22 ARG 126 HH22 ARG 134 -15.065 -6.059 11.743 1074 H ILE 127 H ILE 135 -8.465 -7.314 9.023 1075 HA ILE 127 HA ILE 135 -10.078 -9.700 9.769 1076 HB ILE 127 HB ILE 135 -7.580 -10.601 10.412 1077 HG12 ILE 127 HG12 ILE 135 -6.998 -9.194 7.776 1078 HG13 ILE 127 HG13 ILE 135 -6.427 -8.650 9.335 1079 HG21 ILE 127 HG21 ILE 135 -7.727 -12.096 8.437 1080 HG22 ILE 127 HG22 ILE 135 -9.254 -11.905 9.273 1081 HG23 ILE 127 HG23 ILE 135 -8.979 -11.038 7.777 1082 HD11 ILE 127 HD11 ILE 135 -4.631 -9.872 8.311 1083 HD12 ILE 127 HD12 ILE 135 -5.230 -10.870 9.633 1084 HD13 ILE 127 HD13 ILE 135 -5.652 -11.255 7.966 1085 H2 2VN 201 H152 DRG 176 1.315 3.407 2.255 1086 H1 2VN 201 H151 DRG 176 1.247 5.054 1.695 1087 H18 2VN 201 H212 DRG 176 2.325 1.388 -1.850 1088 H17 2VN 201 H211 DRG 176 1.900 2.098 -3.338 1089 H20 2VN 201 H222 DRG 176 1.982 4.274 -2.596 1090 H19 2VN 201 H221 DRG 176 1.491 3.930 -0.990 1091 H22 2VN 201 H232 DRG 176 4.260 3.049 -1.933 1092 H21 2VN 201 H231 DRG 176 3.933 4.685 -1.470 1093 H23 2VN 201 H24 DRG 176 3.040 3.895 0.729 1094 H24 2VN 201 H251 DRG 176 5.324 4.857 0.501 1095 H25 2VN 201 H252 DRG 176 5.954 3.239 0.345 1096 H26 2VN 201 H261 DRG 176 4.711 4.569 2.766 1097 H27 2VN 201 H262 DRG 176 6.186 3.652 2.667 1098 H28 2VN 201 H271 DRG 176 3.391 2.751 3.182 1099 H29 2VN 201 H272 DRG 176 4.881 2.074 3.768 1100 H31 2VN 201 H282 DRG 176 5.254 0.959 1.587 1101 H30 2VN 201 H281 DRG 176 3.704 0.483 2.224 1102 H32 2VN 201 H291 DRG 176 3.944 1.206 -0.294 1103 H33 2VN 201 H292 DRG 176 2.508 1.668 0.596 1104 H35 2VN 201 H112 DRG 176 1.497 -0.345 0.944 1105 H34 2VN 201 H111 DRG 176 2.306 -0.393 -0.592 1106 H3 2VN 201 H14 DRG 176 -0.950 4.952 1.048 1107 HK6 2VN 201 H7 DRG 176 2.825 -2.469 -1.667 1108 HL7 2VN 201 H6 DRG 176 3.168 -4.847 -1.382 1109 HL8 2VN 201 H8 DRG 176 0.776 -4.790 2.188 1110 HK9 2VN 201 H9 DRG 176 0.392 -2.374 1.871 1111 HJ2 2VN 201 H43 DRG 176 3.050 -9.711 -1.456 1112 HJ1 2VN 201 H42 DRG 176 1.677 -9.405 -0.397 1113 HJ0 2VN 201 H41 DRG 176 3.298 -9.517 0.266 1114 HJ4 2VN 201 H32 DRG 176 4.863 -7.868 -1.729 1115 HJ5 2VN 201 H33 DRG 176 4.641 -6.283 -1.013 1116 HJ3 2VN 201 H31 DRG 176 4.949 -7.658 0.008 1117 H4 2VN 201 H191 DRG 176 -1.495 2.812 3.099 1118 H5 2VN 201 H192 DRG 176 -2.700 3.427 2.020 1119 H7 2VN 201 H182 DRG 176 -2.537 4.435 4.410 1120 H6 2VN 201 H181 DRG 176 -2.713 5.558 3.091 1121 H9 2VN 201 H172 DRG 176 -0.816 5.849 5.019 1122 H8 2VN 201 H171 DRG 176 -0.658 6.515 3.416 1123 H11 2VN 201 H162 DRG 176 0.528 3.888 4.377 1124 H10 2VN 201 H161 DRG 176 1.428 5.334 4.025 1125 H14 2VN 201 H122 DRG 176 -0.714 -0.789 -0.287 1126 H13 2VN 201 H121 DRG 176 0.142 -0.685 -1.796 1127 H16 2VN 201 H202 DRG 176 -0.135 1.188 -2.839 1128 H15 2VN 201 H201 DRG 176 -0.378 2.745 -2.128 1129 H12 2VN 201 HN2 DRG 176 -0.357 3.562 -0.513 Start of MODEL 9 1 H1 HIS -7 H1 HIS 1 -15.201 -7.200 19.864 2 H2 HIS -7 H2 HIS 1 -16.198 -8.220 19.107 3 H3 HIS -7 H3 HIS 1 -14.595 -8.425 18.853 4 HA HIS -7 HA HIS 1 -14.815 -5.973 18.020 5 HB2 HIS -7 HB2 HIS 1 -15.499 -6.891 15.657 6 HB3 HIS -7 HB3 HIS 1 -14.232 -7.827 16.374 7 HD1 HIS -7 HD1 HIS 1 -18.007 -8.046 15.775 8 HD2 HIS -7 HD2 HIS 1 -14.747 -10.604 16.579 9 HE1 HIS -7 HE1 HIS 1 -18.794 -10.440 15.561 10 H HIS -6 H HIS 2 -16.192 -4.414 17.334 11 HA HIS -6 HA HIS 2 -19.094 -4.773 17.429 12 HB2 HIS -6 HB2 HIS 2 -17.507 -3.140 19.470 13 HB3 HIS -6 HB3 HIS 2 -19.090 -2.608 18.996 14 HD1 HIS -6 HD1 HIS 2 -21.151 -3.800 19.934 15 HD2 HIS -6 HD2 HIS 2 -17.524 -5.617 21.100 16 HE1 HIS -6 HE1 HIS 2 -21.647 -5.471 21.764 17 H HIS -5 H HIS 3 -20.203 -2.809 16.725 18 HA HIS -5 HA HIS 3 -18.578 -0.914 15.105 19 HB2 HIS -5 HB2 HIS 3 -19.374 -2.649 13.556 20 HB3 HIS -5 HB3 HIS 3 -21.002 -2.515 14.165 21 HD1 HIS -5 HD1 HIS 3 -22.523 -0.732 13.136 22 HD2 HIS -5 HD2 HIS 3 -18.502 -0.276 11.940 23 HE1 HIS -5 HE1 HIS 3 -22.427 1.011 11.310 24 H HIS -4 H HIS 4 -21.559 -1.617 16.924 25 HA HIS -4 HA HIS 4 -22.716 1.004 16.726 26 HB2 HIS -4 HB2 HIS 4 -23.130 -1.391 18.581 27 HB3 HIS -4 HB3 HIS 4 -24.038 0.080 18.756 28 HD1 HIS -4 HD1 HIS 4 -23.320 -2.136 15.660 29 HD2 HIS -4 HD2 HIS 4 -26.536 -0.267 17.648 30 HE1 HIS -4 HE1 HIS 4 -25.442 -2.624 14.379 31 H HIS -3 H HIS 5 -23.204 2.236 18.806 32 HA HIS -3 HA HIS 5 -22.626 3.629 20.381 33 HB2 HIS -3 HB2 HIS 5 -20.716 1.484 21.142 34 HB3 HIS -3 HB3 HIS 5 -20.073 3.056 21.455 35 HD1 HIS -3 HD1 HIS 5 -20.196 3.011 23.940 36 HD2 HIS -3 HD2 HIS 5 -23.935 2.138 22.190 37 HE1 HIS -3 HE1 HIS 5 -21.938 2.952 25.770 38 H HIS -2 H HIS 6 -19.551 2.791 18.686 39 HA HIS -2 HA HIS 6 -18.656 5.515 18.526 40 HB2 HIS -2 HB2 HIS 6 -17.771 2.847 17.422 41 HB3 HIS -2 HB3 HIS 6 -17.189 4.266 16.603 42 HD1 HIS -2 HD1 HIS 6 -14.770 4.020 17.296 43 HD2 HIS -2 HD2 HIS 6 -17.363 4.311 20.612 44 HE1 HIS -2 HE1 HIS 6 -13.372 4.379 19.374 45 H VAL -1 H VAL 7 -18.516 6.918 16.862 46 HA VAL -1 HA VAL 7 -20.250 6.557 14.483 47 HB VAL -1 HB VAL 7 -21.106 8.878 14.863 48 HG11 VAL -1 HG11 VAL 7 -22.865 8.299 16.431 49 HG12 VAL -1 HG12 VAL 7 -22.505 6.919 15.403 50 HG13 VAL -1 HG13 VAL 7 -21.927 6.955 17.066 51 HG21 VAL -1 HG21 VAL 7 -21.048 9.928 17.094 52 HG22 VAL -1 HG22 VAL 7 -19.987 8.667 17.701 53 HG23 VAL -1 HG23 VAL 7 -19.416 9.788 16.471 54 H ALA 0 H ALA 8 -17.590 6.142 14.312 55 HA ALA 0 HA ALA 8 -16.771 8.207 12.467 56 HB1 ALA 0 HB1 ALA 8 -14.587 8.692 13.646 57 HB2 ALA 0 HB2 ALA 8 -15.960 9.265 14.577 58 HB3 ALA 0 HB3 ALA 8 -15.144 7.775 15.042 59 H MET 1 H MET 9 -14.950 7.619 11.215 60 HA MET 1 HA MET 9 -14.231 4.738 11.152 61 HB2 MET 1 HB2 MET 9 -13.173 5.446 8.915 62 HB3 MET 1 HB3 MET 9 -14.889 5.370 9.016 63 HG2 MET 1 HG2 MET 9 -14.138 7.300 7.705 64 HG3 MET 1 HG3 MET 9 -15.153 7.756 9.032 65 HE1 MET 1 HE1 MET 9 -10.576 8.612 8.882 66 HE2 MET 1 HE2 MET 9 -11.216 6.968 8.954 67 HE3 MET 1 HE3 MET 9 -11.455 7.959 7.508 68 H SER 2 H SER 10 -11.904 4.274 10.659 69 HA SER 2 HA SER 10 -9.892 6.210 11.179 70 HB2 SER 2 HB2 SER 10 -10.630 5.771 13.591 71 HB3 SER 2 HB3 SER 10 -10.255 4.077 13.366 72 HG SER 2 HG SER 10 -8.574 5.291 14.333 73 H PHE 3 H PHE 11 -7.848 5.437 10.605 74 HA PHE 3 HA PHE 11 -7.697 3.005 8.984 75 HB2 PHE 3 HB2 PHE 11 -5.807 5.318 9.581 76 HB3 PHE 3 HB3 PHE 11 -5.308 3.962 8.651 77 HD1 PHE 3 HD1 PHE 11 -7.594 6.878 8.735 78 HD2 PHE 3 HD2 PHE 11 -6.001 3.664 6.329 79 HE1 PHE 3 HE1 PHE 11 -8.407 7.975 6.693 80 HE2 PHE 3 HE2 PHE 11 -6.800 4.815 4.302 81 HZ PHE 3 HZ PHE 11 -7.932 6.985 4.482 82 H SER 4 H SER 12 -8.324 1.929 11.257 83 HA SER 4 HA SER 12 -5.801 0.907 12.490 84 HB2 SER 4 HB2 SER 12 -8.340 1.953 13.803 85 HB3 SER 4 HB3 SER 12 -7.325 0.767 14.603 86 HG SER 4 HG SER 12 -6.693 2.863 15.138 87 H GLY 5 H GLY 13 -5.563 -1.165 12.090 88 HA2 GLY 5 HA2 GLY 13 -6.903 -3.335 12.784 89 HA3 GLY 5 HA3 GLY 13 -7.857 -2.908 11.363 90 H LYS 6 H LYS 14 -6.478 -5.293 11.427 91 HA LYS 6 HA LYS 14 -4.177 -4.963 9.587 92 HB2 LYS 6 HB2 LYS 14 -4.755 -6.789 11.802 93 HB3 LYS 6 HB3 LYS 14 -4.724 -7.728 10.362 94 HG2 LYS 6 HG2 LYS 14 -2.442 -5.993 10.202 95 HG3 LYS 6 HG3 LYS 14 -2.505 -6.543 11.842 96 HD2 LYS 6 HD2 LYS 14 -2.527 -8.329 9.371 97 HD3 LYS 6 HD3 LYS 14 -1.095 -7.901 10.255 98 HE2 LYS 6 HE2 LYS 14 -1.947 -9.044 12.296 99 HE3 LYS 6 HE3 LYS 14 -3.444 -9.448 11.481 100 HZ1 LYS 6 HZ1 LYS 14 -1.914 -11.252 11.436 101 HZ2 LYS 6 HZ2 LYS 14 -2.176 -10.720 9.898 102 HZ3 LYS 6 HZ3 LYS 14 -0.771 -10.342 10.674 103 H TYR 7 H TYR 15 -4.157 -5.897 7.539 104 HA TYR 7 HA TYR 15 -6.686 -7.073 6.520 105 HB2 TYR 7 HB2 TYR 15 -5.204 -4.785 5.147 106 HB3 TYR 7 HB3 TYR 15 -6.652 -5.561 4.589 107 HD1 TYR 7 HD1 TYR 15 -5.222 -3.303 7.170 108 HD2 TYR 7 HD2 TYR 15 -8.836 -4.786 5.360 109 HE1 TYR 7 HE1 TYR 15 -6.534 -1.546 8.344 110 HE2 TYR 7 HE2 TYR 15 -10.142 -3.038 6.524 111 HH TYR 7 HH TYR 15 -10.075 -1.218 7.920 112 H GLN 8 H GLN 16 -6.444 -8.382 4.668 113 HA GLN 8 HA GLN 16 -3.637 -9.224 4.038 114 HB2 GLN 8 HB2 GLN 16 -4.379 -11.485 4.033 115 HB3 GLN 8 HB3 GLN 16 -4.913 -10.786 5.519 116 HG2 GLN 8 HG2 GLN 16 -7.185 -10.389 3.966 117 HG3 GLN 8 HG3 GLN 16 -6.520 -11.779 3.171 118 HE21 GLN 8 HE21 GLN 16 -8.778 -10.906 5.351 119 HE22 GLN 8 HE22 GLN 16 -8.777 -12.302 6.394 120 H LEU 9 H LEU 17 -3.172 -9.589 1.893 121 HA LEU 9 HA LEU 17 -4.555 -8.273 -0.146 122 HB2 LEU 9 HB2 LEU 17 -2.208 -8.675 -0.283 123 HB3 LEU 9 HB3 LEU 17 -2.394 -10.369 -0.014 124 HG LEU 9 HG LEU 17 -3.463 -10.615 -2.280 125 HD11 LEU 9 HD11 LEU 17 -4.110 -8.829 -3.475 126 HD12 LEU 9 HD12 LEU 17 -3.566 -7.742 -2.209 127 HD13 LEU 9 HD13 LEU 17 -2.481 -8.181 -3.497 128 HD21 LEU 9 HD21 LEU 17 -1.424 -11.340 -2.729 129 HD22 LEU 9 HD22 LEU 17 -0.989 -9.757 -3.318 130 HD23 LEU 9 HD23 LEU 17 -0.655 -10.180 -1.654 131 H GLN 10 H GLN 18 -5.984 -8.773 -1.693 132 HA GLN 10 HA GLN 18 -7.328 -11.444 -1.643 133 HB2 GLN 10 HB2 GLN 18 -8.532 -8.658 -2.044 134 HB3 GLN 10 HB3 GLN 18 -9.403 -10.143 -2.258 135 HG2 GLN 10 HG2 GLN 18 -8.197 -9.191 0.387 136 HG3 GLN 10 HG3 GLN 18 -9.863 -9.030 -0.093 137 HE21 GLN 10 HE21 GLN 18 -7.808 -10.900 1.733 138 HE22 GLN 10 HE22 GLN 18 -8.773 -12.355 1.820 139 H SER 11 H SER 19 -6.673 -8.498 -3.657 140 HA SER 11 HA SER 19 -6.423 -10.179 -6.064 141 HB2 SER 11 HB2 SER 19 -8.773 -8.413 -5.410 142 HB3 SER 11 HB3 SER 19 -8.087 -8.149 -6.992 143 HG SER 11 HG SER 19 -9.643 -9.760 -7.034 144 H GLN 12 H GLN 20 -5.557 -9.136 -7.893 145 HA GLN 12 HA GLN 20 -3.830 -6.771 -7.353 146 HB2 GLN 12 HB2 GLN 20 -2.881 -9.476 -8.458 147 HB3 GLN 12 HB3 GLN 20 -1.908 -8.060 -8.169 148 HG2 GLN 12 HG2 GLN 20 -2.341 -8.324 -5.690 149 HG3 GLN 12 HG3 GLN 20 -3.287 -9.749 -6.004 150 HE21 GLN 12 HE21 GLN 20 -0.109 -8.788 -7.504 151 HE22 GLN 12 HE22 GLN 20 0.740 -10.173 -6.871 152 H GLU 13 H GLU 21 -3.738 -5.444 -9.152 153 HA GLU 13 HA GLU 21 -4.198 -6.589 -11.854 154 HB2 GLU 13 HB2 GLU 21 -5.478 -3.979 -10.951 155 HB3 GLU 13 HB3 GLU 21 -5.618 -4.739 -12.487 156 HG2 GLU 13 HG2 GLU 21 -7.688 -5.156 -11.489 157 HG3 GLU 13 HG3 GLU 21 -6.855 -6.682 -11.364 158 H ASN 14 H ASN 22 -2.817 -5.802 -13.358 159 HA ASN 14 HA ASN 22 -0.981 -5.030 -14.175 160 HB2 ASN 14 HB2 ASN 22 -2.108 -2.452 -12.981 161 HB3 ASN 14 HB3 ASN 22 -0.572 -2.373 -13.784 162 HD21 ASN 14 HD21 ASN 22 -3.219 -1.211 -14.530 163 HD22 ASN 14 HD22 ASN 22 -3.379 -1.660 -16.214 164 H PHE 15 H PHE 23 -0.744 -6.272 -11.522 165 HA PHE 15 HA PHE 23 1.217 -4.959 -9.969 166 HB2 PHE 15 HB2 PHE 23 -0.148 -6.611 -8.953 167 HB3 PHE 15 HB3 PHE 23 0.325 -7.851 -10.080 168 HD1 PHE 15 HD1 PHE 23 2.480 -9.035 -9.830 169 HD2 PHE 15 HD2 PHE 23 1.486 -5.777 -7.177 170 HE1 PHE 15 HE1 PHE 23 4.374 -9.579 -8.389 171 HE2 PHE 15 HE2 PHE 23 3.372 -6.384 -5.743 172 HZ PHE 15 HZ PHE 23 4.826 -8.278 -6.343 173 H GLU 16 H GLU 24 1.697 -7.630 -12.417 174 HA GLU 16 HA GLU 24 4.526 -7.452 -12.321 175 HB2 GLU 16 HB2 GLU 24 2.740 -8.426 -14.582 176 HB3 GLU 16 HB3 GLU 24 4.474 -8.518 -14.581 177 HG2 GLU 16 HG2 GLU 24 4.029 -9.780 -12.208 178 HG3 GLU 16 HG3 GLU 24 2.473 -10.078 -12.922 179 H ALA 17 H ALA 25 2.190 -5.792 -14.521 180 HA ALA 17 HA ALA 25 4.004 -4.542 -16.213 181 HB1 ALA 17 HB1 ALA 25 2.118 -2.936 -16.648 182 HB2 ALA 17 HB2 ALA 25 1.578 -4.609 -16.636 183 HB3 ALA 17 HB3 ALA 25 1.263 -3.574 -15.248 184 H PHE 18 H PHE 26 2.689 -3.276 -13.112 185 HA PHE 18 HA PHE 26 4.175 -0.835 -13.169 186 HB2 PHE 18 HB2 PHE 26 2.087 -1.001 -12.017 187 HB3 PHE 18 HB3 PHE 26 2.640 -2.302 -10.999 188 HD1 PHE 18 HD1 PHE 26 2.996 1.350 -11.693 189 HD2 PHE 18 HD2 PHE 26 3.948 -1.871 -8.981 190 HE1 PHE 18 HE1 PHE 26 3.751 2.971 -9.995 191 HE2 PHE 18 HE2 PHE 26 4.699 -0.219 -7.315 192 HZ PHE 18 HZ PHE 26 4.600 2.191 -7.822 193 H MET 19 H MET 27 4.748 -3.986 -11.495 194 HA MET 19 HA MET 27 7.019 -3.167 -10.036 195 HB2 MET 19 HB2 MET 27 6.217 -5.941 -10.960 196 HB3 MET 19 HB3 MET 27 7.514 -5.554 -9.854 197 HG2 MET 19 HG2 MET 27 4.784 -4.530 -9.104 198 HG3 MET 19 HG3 MET 27 5.089 -6.239 -8.990 199 HE1 MET 19 HE1 MET 27 6.127 -3.073 -6.010 200 HE2 MET 19 HE2 MET 27 5.828 -2.719 -7.714 201 HE3 MET 19 HE3 MET 27 4.579 -3.520 -6.749 202 H LYS 20 H LYS 28 6.833 -4.844 -13.265 203 HA LYS 20 HA LYS 28 9.628 -4.870 -13.745 204 HB2 LYS 20 HB2 LYS 28 7.196 -5.054 -15.592 205 HB3 LYS 20 HB3 LYS 28 8.792 -4.904 -16.225 206 HG2 LYS 20 HG2 LYS 28 8.720 -7.118 -16.320 207 HG3 LYS 20 HG3 LYS 28 9.467 -6.954 -14.763 208 HD2 LYS 20 HD2 LYS 28 7.258 -7.348 -13.654 209 HD3 LYS 20 HD3 LYS 28 6.487 -7.426 -15.216 210 HE2 LYS 20 HE2 LYS 28 8.677 -9.400 -14.393 211 HE3 LYS 20 HE3 LYS 28 6.967 -9.678 -14.116 212 HZ1 LYS 20 HZ1 LYS 28 7.682 -10.690 -16.103 213 HZ2 LYS 20 HZ2 LYS 28 6.552 -9.537 -16.419 214 HZ3 LYS 20 HZ3 LYS 28 8.148 -9.245 -16.746 215 H ALA 21 H ALA 29 7.253 -2.247 -14.131 216 HA ALA 21 HA ALA 29 8.970 -0.598 -15.767 217 HB1 ALA 21 HB1 ALA 29 7.182 1.108 -15.404 218 HB2 ALA 21 HB2 ALA 29 6.569 -0.436 -15.976 219 HB3 ALA 21 HB3 ALA 29 6.376 0.016 -14.282 220 H ILE 22 H ILE 30 8.304 -0.746 -12.215 221 HA ILE 22 HA ILE 30 10.055 1.543 -11.702 222 HB ILE 22 HB ILE 30 9.780 1.003 -9.325 223 HG12 ILE 22 HG12 ILE 30 7.894 -1.203 -10.144 224 HG13 ILE 22 HG13 ILE 30 9.477 -1.499 -9.509 225 HG21 ILE 22 HG21 ILE 30 7.463 1.736 -9.130 226 HG22 ILE 22 HG22 ILE 30 8.231 2.528 -10.487 227 HG23 ILE 22 HG23 ILE 30 7.111 1.194 -10.768 228 HD11 ILE 22 HD11 ILE 30 7.996 -1.727 -7.640 229 HD12 ILE 22 HD12 ILE 30 8.712 -0.135 -7.408 230 HD13 ILE 22 HD13 ILE 30 7.082 -0.297 -8.060 231 H GLY 23 H GLY 31 10.668 -1.691 -12.503 232 HA2 GLY 23 HA2 GLY 31 12.755 -2.550 -12.916 233 HA3 GLY 23 HA3 GLY 31 13.520 -1.288 -11.974 234 H LEU 24 H LEU 32 10.869 -3.232 -10.564 235 HA LEU 24 HA LEU 32 12.445 -4.270 -8.432 236 HB2 LEU 24 HB2 LEU 32 9.642 -4.476 -9.464 237 HB3 LEU 24 HB3 LEU 32 10.115 -5.865 -8.613 238 HG LEU 24 HG LEU 32 8.922 -3.830 -7.508 239 HD11 LEU 24 HD11 LEU 32 9.093 -4.907 -5.565 240 HD12 LEU 24 HD12 LEU 32 10.050 -6.082 -6.441 241 HD13 LEU 24 HD13 LEU 32 10.838 -4.829 -5.501 242 HD21 LEU 24 HD21 LEU 32 10.048 -2.072 -6.558 243 HD22 LEU 24 HD22 LEU 32 11.582 -2.892 -6.505 244 HD23 LEU 24 HD23 LEU 32 11.002 -2.245 -8.018 245 HA PRO 25 HA PRO 33 14.134 -7.893 -10.531 246 HB2 PRO 25 HB2 PRO 33 14.706 -9.505 -8.366 247 HB3 PRO 25 HB3 PRO 33 15.602 -8.040 -8.738 248 HG2 PRO 25 HG2 PRO 33 13.308 -8.342 -6.795 249 HG3 PRO 25 HG3 PRO 33 14.881 -7.625 -6.457 250 HD2 PRO 25 HD2 PRO 33 12.757 -6.061 -7.099 251 HD3 PRO 25 HD3 PRO 33 14.345 -5.666 -7.768 252 H GLU 26 H GLU 34 13.377 -9.809 -11.384 253 HA GLU 26 HA GLU 34 10.648 -10.315 -11.313 254 HB2 GLU 26 HB2 GLU 34 12.055 -10.737 -13.221 255 HB3 GLU 26 HB3 GLU 34 12.941 -11.982 -12.389 256 HG2 GLU 26 HG2 GLU 34 10.945 -13.452 -12.331 257 HG3 GLU 26 HG3 GLU 34 9.943 -12.178 -12.995 258 H GLU 27 H GLU 35 13.094 -11.727 -9.172 259 HA GLU 27 HA GLU 35 11.494 -13.895 -8.249 260 HB2 GLU 27 HB2 GLU 35 13.893 -13.866 -7.953 261 HB3 GLU 27 HB3 GLU 35 13.818 -12.434 -6.961 262 HG2 GLU 27 HG2 GLU 35 12.623 -13.672 -5.165 263 HG3 GLU 27 HG3 GLU 35 12.451 -15.070 -6.203 264 H LEU 28 H LEU 36 11.798 -10.494 -7.033 265 HA LEU 28 HA LEU 36 9.929 -10.813 -4.891 266 HB2 LEU 28 HB2 LEU 36 11.031 -8.405 -6.375 267 HB3 LEU 28 HB3 LEU 36 9.783 -8.203 -5.188 268 HG LEU 28 HG LEU 36 12.455 -9.483 -4.598 269 HD11 LEU 28 HD11 LEU 36 13.337 -7.465 -4.068 270 HD12 LEU 28 HD12 LEU 36 12.046 -6.777 -5.029 271 HD13 LEU 28 HD13 LEU 36 11.873 -6.872 -3.294 272 HD21 LEU 28 HD21 LEU 36 11.266 -8.660 -2.147 273 HD22 LEU 28 HD22 LEU 36 9.968 -9.435 -3.029 274 HD23 LEU 28 HD23 LEU 36 11.474 -10.295 -2.734 275 H ILE 29 H ILE 37 9.504 -10.372 -8.339 276 HA ILE 29 HA ILE 37 6.745 -9.475 -8.155 277 HB ILE 29 HB ILE 37 8.388 -10.450 -10.528 278 HG12 ILE 29 HG12 ILE 37 7.538 -7.651 -9.825 279 HG13 ILE 29 HG13 ILE 37 9.068 -8.251 -9.313 280 HG21 ILE 29 HG21 ILE 37 6.587 -9.338 -11.929 281 HG22 ILE 29 HG22 ILE 37 6.013 -10.767 -11.105 282 HG23 ILE 29 HG23 ILE 37 5.617 -9.166 -10.485 283 HD11 ILE 29 HD11 ILE 37 8.631 -6.992 -11.762 284 HD12 ILE 29 HD12 ILE 37 10.062 -7.894 -11.297 285 HD13 ILE 29 HD13 ILE 37 8.801 -8.694 -12.199 286 H GLN 30 H GLN 38 8.422 -12.555 -9.173 287 HA GLN 30 HA GLN 38 6.011 -13.999 -9.523 288 HB2 GLN 30 HB2 GLN 38 8.854 -14.992 -8.975 289 HB3 GLN 30 HB3 GLN 38 7.523 -16.038 -9.364 290 HG2 GLN 30 HG2 GLN 38 8.932 -14.088 -11.198 291 HG3 GLN 30 HG3 GLN 38 8.694 -15.789 -11.402 292 HE21 GLN 30 HE21 GLN 38 7.583 -12.672 -12.225 293 HE22 GLN 30 HE22 GLN 38 6.042 -13.099 -12.928 294 H LYS 31 H LYS 39 8.080 -13.720 -6.575 295 HA LYS 31 HA LYS 39 6.332 -15.429 -5.032 296 HB2 LYS 31 HB2 LYS 39 7.728 -14.924 -3.198 297 HB3 LYS 31 HB3 LYS 39 8.766 -15.024 -4.576 298 HG2 LYS 31 HG2 LYS 39 9.642 -13.094 -3.686 299 HG3 LYS 31 HG3 LYS 39 8.388 -12.372 -4.631 300 HD2 LYS 31 HD2 LYS 39 7.590 -11.349 -2.815 301 HD3 LYS 31 HD3 LYS 39 7.077 -12.882 -2.182 302 HE2 LYS 31 HE2 LYS 39 9.815 -11.621 -1.679 303 HE3 LYS 31 HE3 LYS 39 8.476 -11.643 -0.555 304 HZ1 LYS 31 HZ1 LYS 39 10.038 -13.374 -0.104 305 HZ2 LYS 31 HZ2 LYS 39 8.588 -14.030 -0.542 306 HZ3 LYS 31 HZ3 LYS 39 9.842 -14.015 -1.611 307 H GLY 32 H GLY 40 6.237 -11.991 -5.899 308 HA2 GLY 32 HA2 GLY 40 4.602 -11.116 -3.681 309 HA3 GLY 32 HA3 GLY 40 4.967 -10.247 -5.156 310 H LYS 33 H LYS 41 3.918 -12.469 -6.929 311 HA LYS 33 HA LYS 41 1.006 -12.040 -6.573 312 HB2 LYS 33 HB2 LYS 41 0.802 -12.595 -8.932 313 HB3 LYS 33 HB3 LYS 41 1.834 -11.239 -8.673 314 HG2 LYS 33 HG2 LYS 41 3.497 -12.173 -9.826 315 HG3 LYS 33 HG3 LYS 41 3.581 -13.535 -8.759 316 HD2 LYS 33 HD2 LYS 41 1.713 -13.312 -11.159 317 HD3 LYS 33 HD3 LYS 41 3.258 -14.114 -11.166 318 HE2 LYS 33 HE2 LYS 41 2.417 -15.719 -9.390 319 HE3 LYS 33 HE3 LYS 41 0.838 -14.952 -9.474 320 HZ1 LYS 33 HZ1 LYS 41 0.950 -16.881 -10.830 321 HZ2 LYS 33 HZ2 LYS 41 0.730 -15.553 -11.783 322 HZ3 LYS 33 HZ3 LYS 41 2.212 -16.272 -11.698 323 H ASP 34 H ASP 42 3.435 -14.608 -6.481 324 HA ASP 34 HA ASP 42 1.455 -16.729 -6.649 325 HB2 ASP 34 HB2 ASP 42 3.826 -17.024 -7.469 326 HB3 ASP 34 HB3 ASP 42 4.383 -16.863 -5.822 327 H ILE 35 H ILE 43 3.368 -15.129 -4.036 328 HA ILE 35 HA ILE 43 1.870 -16.652 -1.964 329 HB ILE 35 HB ILE 43 4.282 -14.822 -1.585 330 HG12 ILE 35 HG12 ILE 43 4.338 -17.863 -1.698 331 HG13 ILE 35 HG13 ILE 43 4.844 -16.859 -3.023 332 HG21 ILE 35 HG21 ILE 43 4.494 -15.908 0.627 333 HG22 ILE 35 HG22 ILE 43 2.970 -15.075 0.479 334 HG23 ILE 35 HG23 ILE 43 3.025 -16.827 0.323 335 HD11 ILE 35 HD11 ILE 43 6.900 -17.205 -2.039 336 HD12 ILE 35 HD12 ILE 43 6.454 -15.727 -1.197 337 HD13 ILE 35 HD13 ILE 43 6.250 -17.291 -0.408 338 H LYS 36 H LYS 44 0.307 -15.658 -0.890 339 HA LYS 36 HA LYS 44 -0.426 -12.908 -1.382 340 HB2 LYS 36 HB2 LYS 44 -1.991 -14.812 -1.229 341 HB3 LYS 36 HB3 LYS 44 -1.605 -15.079 0.441 342 HG2 LYS 36 HG2 LYS 44 -2.666 -12.411 -0.557 343 HG3 LYS 36 HG3 LYS 44 -3.754 -13.719 -0.334 344 HD2 LYS 36 HD2 LYS 44 -1.969 -12.872 1.990 345 HD3 LYS 36 HD3 LYS 44 -3.402 -11.979 1.635 346 HE2 LYS 36 HE2 LYS 44 -3.342 -14.991 2.200 347 HE3 LYS 36 HE3 LYS 44 -3.679 -13.759 3.399 348 HZ1 LYS 36 HZ1 LYS 44 -5.679 -14.644 2.522 349 HZ2 LYS 36 HZ2 LYS 44 -5.550 -13.053 2.097 350 HZ3 LYS 36 HZ3 LYS 44 -5.262 -14.225 0.980 351 H GLY 37 H GLY 45 0.436 -11.211 -0.331 352 HA2 GLY 37 HA2 GLY 45 1.876 -11.518 2.236 353 HA3 GLY 37 HA3 GLY 45 1.809 -10.099 1.225 354 H VAL 38 H VAL 46 1.506 -9.692 3.818 355 HA VAL 38 HA VAL 46 -1.394 -9.151 4.301 356 HB VAL 38 HB VAL 46 0.747 -9.993 6.318 357 HG11 VAL 38 HG11 VAL 46 -1.159 -10.113 7.961 358 HG12 VAL 38 HG12 VAL 46 -0.768 -8.479 7.478 359 HG13 VAL 38 HG13 VAL 46 -2.173 -9.292 6.782 360 HG21 VAL 38 HG21 VAL 46 -0.632 -12.036 6.670 361 HG22 VAL 38 HG22 VAL 46 -1.660 -11.563 5.320 362 HG23 VAL 38 HG23 VAL 46 0.034 -11.966 5.053 363 H SER 39 H SER 47 -1.845 -7.217 5.377 364 HA SER 39 HA SER 47 0.339 -5.235 5.666 365 HB2 SER 39 HB2 SER 47 -1.013 -3.581 4.587 366 HB3 SER 39 HB3 SER 47 -0.946 -4.940 3.498 367 HG SER 39 HG SER 47 -3.029 -4.076 3.698 368 H GLU 40 H GLU 48 -0.346 -3.389 7.050 369 HA GLU 40 HA GLU 48 -2.469 -3.865 8.983 370 HB2 GLU 40 HB2 GLU 48 -0.387 -5.172 9.811 371 HB3 GLU 40 HB3 GLU 48 0.435 -3.640 9.829 372 HG2 GLU 40 HG2 GLU 48 -0.913 -2.735 11.597 373 HG3 GLU 40 HG3 GLU 48 -2.093 -4.015 11.471 374 H ILE 41 H ILE 49 -3.167 -1.957 9.901 375 HA ILE 41 HA ILE 49 -1.706 0.543 9.193 376 HB ILE 41 HB ILE 49 -4.743 0.429 9.027 377 HG12 ILE 41 HG12 ILE 49 -2.947 -0.456 6.743 378 HG13 ILE 41 HG13 ILE 49 -4.171 -1.398 7.513 379 HG21 ILE 41 HG21 ILE 49 -4.392 2.344 7.529 380 HG22 ILE 41 HG22 ILE 49 -3.439 2.598 8.989 381 HG23 ILE 41 HG23 ILE 49 -2.665 2.062 7.509 382 HD11 ILE 41 HD11 ILE 49 -5.238 -0.717 5.538 383 HD12 ILE 41 HD12 ILE 49 -5.855 0.465 6.690 384 HD13 ILE 41 HD13 ILE 49 -4.553 0.899 5.580 385 H VAL 42 H VAL 50 -1.664 1.946 10.910 386 HA VAL 42 HA VAL 50 -3.462 1.490 13.239 387 HB VAL 42 HB VAL 50 -0.412 1.600 13.332 388 HG11 VAL 42 HG11 VAL 50 -0.654 1.305 15.821 389 HG12 VAL 42 HG12 VAL 50 -1.238 2.860 15.285 390 HG13 VAL 42 HG13 VAL 50 -2.385 1.578 15.663 391 HG21 VAL 42 HG21 VAL 50 -0.559 -0.638 14.428 392 HG22 VAL 42 HG22 VAL 50 -2.281 -0.684 14.059 393 HG23 VAL 42 HG23 VAL 50 -1.087 -0.652 12.763 394 H GLN 43 H GLN 51 -4.557 3.376 13.057 395 HA GLN 43 HA GLN 51 -3.176 5.955 12.717 396 HB2 GLN 43 HB2 GLN 51 -5.416 5.328 11.665 397 HB3 GLN 43 HB3 GLN 51 -6.095 5.248 13.247 398 HG2 GLN 43 HG2 GLN 51 -6.720 7.380 12.391 399 HG3 GLN 43 HG3 GLN 51 -5.486 7.751 13.559 400 HE21 GLN 43 HE21 GLN 51 -3.739 9.032 12.801 401 HE22 GLN 43 HE22 GLN 51 -3.427 9.338 11.118 402 H ASN 44 H ASN 52 -2.882 7.436 14.377 403 HA ASN 44 HA ASN 52 -4.127 7.078 16.968 404 HB2 ASN 44 HB2 ASN 52 -2.032 6.980 18.260 405 HB3 ASN 44 HB3 ASN 52 -2.310 5.547 17.325 406 HD21 ASN 44 HD21 ASN 52 -1.102 5.473 15.074 407 HD22 ASN 44 HD22 ASN 52 0.536 6.067 15.112 408 H GLY 45 H GLY 53 -5.144 8.940 16.124 409 HA2 GLY 45 HA2 GLY 53 -5.535 11.187 16.214 410 HA3 GLY 45 HA3 GLY 53 -4.016 11.413 17.068 411 H LYS 46 H LYS 54 -2.583 12.655 15.953 412 HA LYS 46 HA LYS 54 -2.774 13.098 13.102 413 HB2 LYS 46 HB2 LYS 54 -1.367 14.311 15.437 414 HB3 LYS 46 HB3 LYS 54 -0.434 14.360 13.986 415 HG2 LYS 46 HG2 LYS 54 -3.305 15.320 14.027 416 HG3 LYS 46 HG3 LYS 54 -1.959 16.363 14.387 417 HD2 LYS 46 HD2 LYS 54 -1.017 16.173 12.208 418 HD3 LYS 46 HD3 LYS 54 -1.953 14.781 11.778 419 HE2 LYS 46 HE2 LYS 54 -3.139 17.573 12.237 420 HE3 LYS 46 HE3 LYS 54 -2.707 16.923 10.668 421 HZ1 LYS 46 HZ1 LYS 54 -5.002 16.622 11.102 422 HZ2 LYS 46 HZ2 LYS 54 -4.260 15.153 10.994 423 HZ3 LYS 46 HZ3 LYS 54 -4.695 15.752 12.467 424 H HIS 47 H HIS 55 -0.743 11.061 15.195 425 HA HIS 47 HA HIS 55 1.157 10.460 13.085 426 HB2 HIS 47 HB2 HIS 55 0.900 9.895 15.963 427 HB3 HIS 47 HB3 HIS 55 1.270 8.434 15.102 428 HD1 HIS 47 HD1 HIS 55 3.294 9.134 13.009 429 HD2 HIS 47 HD2 HIS 55 3.369 10.866 16.860 430 HE1 HIS 47 HE1 HIS 55 5.634 9.952 13.471 431 H PHE 48 H PHE 56 1.416 8.564 11.984 432 HA PHE 48 HA PHE 56 -0.840 6.639 11.811 433 HB2 PHE 48 HB2 PHE 56 -0.797 8.648 10.097 434 HB3 PHE 48 HB3 PHE 56 0.622 7.916 9.434 435 HD1 PHE 48 HD1 PHE 56 0.312 5.240 8.814 436 HD2 PHE 48 HD2 PHE 56 -2.850 8.164 9.145 437 HE1 PHE 48 HE1 PHE 56 -1.140 3.859 7.425 438 HE2 PHE 48 HE2 PHE 56 -4.276 6.748 7.735 439 HZ PHE 48 HZ PHE 56 -3.431 4.600 6.875 440 H LYS 49 H LYS 57 -0.058 4.586 11.748 441 HA LYS 49 HA LYS 57 2.742 4.033 10.922 442 HB2 LYS 49 HB2 LYS 57 1.218 3.182 13.397 443 HB3 LYS 49 HB3 LYS 57 2.305 2.028 12.684 444 HG2 LYS 49 HG2 LYS 57 4.213 3.456 12.851 445 HG3 LYS 49 HG3 LYS 57 3.259 4.823 13.351 446 HD2 LYS 49 HD2 LYS 57 3.462 2.256 14.986 447 HD3 LYS 49 HD3 LYS 57 4.553 3.602 15.182 448 HE2 LYS 49 HE2 LYS 57 2.565 5.100 15.701 449 HE3 LYS 49 HE3 LYS 57 1.516 3.693 15.621 450 HZ1 LYS 49 HZ1 LYS 57 2.169 4.181 17.838 451 HZ2 LYS 49 HZ2 LYS 57 2.794 2.719 17.392 452 HZ3 LYS 49 HZ3 LYS 57 3.767 4.051 17.457 453 H PHE 50 H PHE 58 3.078 1.889 10.120 454 HA PHE 50 HA PHE 58 0.794 0.339 9.228 455 HB2 PHE 50 HB2 PHE 58 1.340 2.381 7.575 456 HB3 PHE 50 HB3 PHE 58 2.748 1.458 7.162 457 HD1 PHE 50 HD1 PHE 58 -0.688 2.059 6.446 458 HD2 PHE 50 HD2 PHE 58 2.313 -1.025 6.248 459 HE1 PHE 50 HE1 PHE 58 -2.057 0.819 4.832 460 HE2 PHE 50 HE2 PHE 58 0.891 -2.282 4.704 461 HZ PHE 50 HZ PHE 58 -1.300 -1.364 3.996 462 H THR 51 H THR 59 1.487 -1.810 8.710 463 HA THR 51 HA THR 59 4.416 -2.372 8.700 464 HB THR 51 HB THR 59 2.409 -4.259 10.021 465 HG1 THR 51 HG1 THR 59 3.152 -3.529 11.957 466 HG21 THR 51 HG21 THR 59 4.431 -5.274 11.011 467 HG22 THR 51 HG22 THR 59 4.439 -5.382 9.261 468 HG23 THR 51 HG23 THR 59 5.448 -4.184 10.072 469 H ILE 52 H ILE 60 4.925 -3.148 6.767 470 HA ILE 52 HA ILE 60 3.001 -4.663 5.101 471 HB ILE 52 HB ILE 60 5.852 -3.664 4.644 472 HG12 ILE 52 HG12 ILE 60 3.331 -2.745 3.231 473 HG13 ILE 52 HG13 ILE 60 3.918 -1.954 4.655 474 HG21 ILE 52 HG21 ILE 60 5.518 -4.319 2.218 475 HG22 ILE 52 HG22 ILE 60 5.841 -5.615 3.340 476 HG23 ILE 52 HG23 ILE 60 4.199 -5.338 2.801 477 HD11 ILE 52 HD11 ILE 60 4.874 -0.626 3.001 478 HD12 ILE 52 HD12 ILE 60 6.212 -1.710 3.358 479 HD13 ILE 52 HD13 ILE 60 5.211 -1.977 1.930 480 H THR 53 H THR 61 3.219 -6.884 4.784 481 HA THR 53 HA THR 61 5.634 -8.302 5.795 482 HB THR 53 HB THR 61 2.712 -9.046 6.285 483 HG1 THR 53 HG1 THR 61 3.461 -9.004 8.472 484 HG21 THR 53 HG21 THR 61 3.600 -11.028 7.560 485 HG22 THR 53 HG22 THR 61 3.930 -11.169 5.845 486 HG23 THR 53 HG23 THR 61 5.216 -10.684 6.947 487 H ALA 54 H ALA 62 6.515 -9.171 4.011 488 HA ALA 54 HA ALA 62 4.765 -10.125 1.764 489 HB1 ALA 54 HB1 ALA 62 6.677 -9.384 0.312 490 HB2 ALA 54 HB2 ALA 62 5.912 -8.042 1.172 491 HB3 ALA 54 HB3 ALA 62 7.448 -8.677 1.717 492 H GLY 55 H GLY 63 4.767 -12.141 3.074 493 HA2 GLY 55 HA2 GLY 63 5.368 -14.365 3.024 494 HA3 GLY 55 HA3 GLY 63 6.820 -14.000 2.111 495 H SER 56 H SER 64 8.727 -13.282 3.259 496 HA SER 56 HA SER 64 8.843 -14.093 6.128 497 HB2 SER 56 HB2 SER 64 10.932 -14.010 3.888 498 HB3 SER 56 HB3 SER 64 11.305 -14.366 5.565 499 HG SER 56 HG SER 64 10.924 -16.238 4.306 500 H LYS 57 H LYS 65 9.914 -11.527 3.832 501 HA LYS 57 HA LYS 65 11.212 -9.927 5.839 502 HB2 LYS 57 HB2 LYS 65 11.319 -8.257 3.975 503 HB3 LYS 57 HB3 LYS 65 12.041 -9.785 3.599 504 HG2 LYS 57 HG2 LYS 65 10.483 -10.363 2.005 505 HG3 LYS 57 HG3 LYS 65 9.167 -9.574 2.798 506 HD2 LYS 57 HD2 LYS 65 11.335 -8.116 1.240 507 HD3 LYS 57 HD3 LYS 65 9.776 -8.566 0.608 508 HE2 LYS 57 HE2 LYS 65 8.793 -7.157 2.644 509 HE3 LYS 57 HE3 LYS 65 10.404 -6.490 2.757 510 HZ1 LYS 57 HZ1 LYS 65 8.972 -5.195 1.374 511 HZ2 LYS 57 HZ2 LYS 65 10.204 -5.811 0.468 512 HZ3 LYS 57 HZ3 LYS 65 8.694 -6.469 0.365 513 H VAL 58 H VAL 66 10.576 -7.969 6.752 514 HA VAL 58 HA VAL 66 7.743 -7.145 6.497 515 HB VAL 58 HB VAL 66 9.310 -7.533 9.095 516 HG11 VAL 58 HG11 VAL 66 7.296 -6.809 10.327 517 HG12 VAL 58 HG12 VAL 66 7.868 -5.498 9.323 518 HG13 VAL 58 HG13 VAL 66 6.474 -6.449 8.823 519 HG21 VAL 58 HG21 VAL 66 7.495 -9.152 9.703 520 HG22 VAL 58 HG22 VAL 66 6.825 -8.985 8.084 521 HG23 VAL 58 HG23 VAL 66 8.423 -9.689 8.318 522 H ILE 59 H ILE 67 7.531 -4.969 6.248 523 HA ILE 59 HA ILE 67 9.787 -3.145 6.952 524 HB ILE 59 HB ILE 67 8.216 -3.184 4.334 525 HG12 ILE 59 HG12 ILE 67 11.211 -3.402 4.810 526 HG13 ILE 59 HG13 ILE 67 10.175 -4.748 4.439 527 HG21 ILE 59 HG21 ILE 67 9.480 -1.115 3.678 528 HG22 ILE 59 HG22 ILE 67 8.445 -0.801 5.033 529 HG23 ILE 59 HG23 ILE 67 10.171 -1.030 5.291 530 HD11 ILE 59 HD11 ILE 67 11.092 -4.216 2.331 531 HD12 ILE 59 HD12 ILE 67 9.535 -3.382 2.257 532 HD13 ILE 59 HD13 ILE 67 11.015 -2.493 2.606 533 H GLN 60 H GLN 68 8.967 -1.909 8.544 534 HA GLN 60 HA GLN 68 6.183 -0.891 8.295 535 HB2 GLN 60 HB2 GLN 68 6.493 -0.206 10.691 536 HB3 GLN 60 HB3 GLN 68 6.296 -1.889 10.393 537 HG2 GLN 60 HG2 GLN 68 9.183 -0.961 10.511 538 HG3 GLN 60 HG3 GLN 68 8.266 -0.745 11.970 539 HE21 GLN 60 HE21 GLN 68 9.850 -3.136 9.982 540 HE22 GLN 60 HE22 GLN 68 9.436 -4.508 10.970 541 H ASN 61 H ASN 69 5.741 1.247 8.511 542 HA ASN 61 HA ASN 69 7.922 3.208 8.390 543 HB2 ASN 61 HB2 ASN 69 5.722 2.773 6.304 544 HB3 ASN 61 HB3 ASN 69 6.419 4.357 6.543 545 HD21 ASN 61 HD21 ASN 69 6.954 1.274 5.053 546 HD22 ASN 61 HD22 ASN 69 8.476 1.691 4.314 547 H GLU 62 H GLU 70 7.199 5.303 9.024 548 HA GLU 62 HA GLU 70 4.503 5.586 10.175 549 HB2 GLU 62 HB2 GLU 70 5.924 4.821 12.022 550 HB3 GLU 62 HB3 GLU 70 7.152 5.985 11.631 551 HG2 GLU 62 HG2 GLU 70 5.680 7.860 12.313 552 HG3 GLU 62 HG3 GLU 70 4.341 6.768 12.562 553 H PHE 63 H PHE 71 3.675 7.611 10.010 554 HA PHE 63 HA PHE 71 5.375 9.872 9.373 555 HB2 PHE 63 HB2 PHE 71 4.251 10.532 7.353 556 HB3 PHE 63 HB3 PHE 71 4.831 8.919 7.102 557 HD1 PHE 63 HD1 PHE 71 1.851 11.083 7.473 558 HD2 PHE 63 HD2 PHE 71 3.184 7.027 6.918 559 HE1 PHE 63 HE1 PHE 71 -0.416 10.414 6.814 560 HE2 PHE 63 HE2 PHE 71 0.885 6.408 6.198 561 HZ PHE 63 HZ PHE 71 -0.889 8.089 6.163 562 H THR 64 H THR 72 4.057 11.924 9.343 563 HA THR 64 HA THR 72 1.677 11.766 11.151 564 HB THR 64 HB THR 72 3.850 13.921 10.994 565 HG1 THR 64 HG1 THR 72 4.135 13.284 13.178 566 HG21 THR 64 HG21 THR 72 2.665 14.973 12.943 567 HG22 THR 64 HG22 THR 72 1.653 15.013 11.512 568 HG23 THR 64 HG23 THR 72 1.357 13.807 12.763 569 H VAL 65 H VAL 73 -0.139 12.633 10.277 570 HA VAL 65 HA VAL 73 -0.238 13.273 7.518 571 HB VAL 65 HB VAL 73 -2.296 13.715 9.729 572 HG11 VAL 65 HG11 VAL 73 -4.023 13.693 7.884 573 HG12 VAL 65 HG12 VAL 73 -3.016 15.123 7.844 574 HG13 VAL 65 HG13 VAL 73 -2.725 13.810 6.705 575 HG21 VAL 65 HG21 VAL 73 -3.327 11.625 9.014 576 HG22 VAL 65 HG22 VAL 73 -2.145 11.421 7.734 577 HG23 VAL 65 HG23 VAL 73 -1.654 11.307 9.423 578 H GLY 66 H GLY 74 0.139 15.139 6.471 579 HA2 GLY 66 HA2 GLY 74 0.060 17.409 6.010 580 HA3 GLY 66 HA3 GLY 74 -0.377 17.797 7.662 581 H GLU 67 H GLU 75 2.297 15.654 7.748 582 HA GLU 67 HA GLU 75 4.357 17.815 7.572 583 HB2 GLU 67 HB2 GLU 75 4.119 15.362 9.370 584 HB3 GLU 67 HB3 GLU 75 5.618 16.192 9.167 585 HG2 GLU 67 HG2 GLU 75 3.129 17.632 10.216 586 HG3 GLU 67 HG3 GLU 75 4.213 16.748 11.254 587 H GLU 68 H GLU 76 6.320 17.248 6.673 588 HA GLU 68 HA GLU 76 6.287 15.324 4.499 589 HB2 GLU 68 HB2 GLU 76 8.418 17.213 5.617 590 HB3 GLU 68 HB3 GLU 76 8.613 16.265 4.169 591 HG2 GLU 68 HG2 GLU 76 6.781 17.449 3.048 592 HG3 GLU 68 HG3 GLU 76 6.366 18.325 4.507 593 H CYS 69 H CYS 77 7.047 13.270 4.551 594 HA CYS 69 HA CYS 77 9.006 12.358 6.572 595 HB2 CYS 69 HB2 CYS 77 6.167 11.247 6.224 596 HB3 CYS 69 HB3 CYS 77 7.448 10.319 6.976 597 HG CYS 69 HG CYS 77 8.009 11.962 8.863 598 H GLU 70 H GLU 78 10.140 10.452 5.932 599 HA GLU 70 HA GLU 78 10.069 9.819 3.082 600 HB2 GLU 70 HB2 GLU 78 11.800 8.901 5.389 601 HB3 GLU 70 HB3 GLU 78 11.785 8.000 3.902 602 HG2 GLU 70 HG2 GLU 78 12.296 10.270 2.707 603 HG3 GLU 70 HG3 GLU 78 12.684 10.871 4.309 604 H LEU 71 H LEU 79 9.518 7.962 2.112 605 HA LEU 71 HA LEU 79 8.116 5.829 3.664 606 HB2 LEU 71 HB2 LEU 79 7.555 6.707 0.783 607 HB3 LEU 71 HB3 LEU 79 6.707 5.518 1.698 608 HG LEU 71 HG LEU 79 6.636 8.522 1.870 609 HD11 LEU 71 HD11 LEU 79 4.629 8.340 0.841 610 HD12 LEU 71 HD12 LEU 79 4.975 6.640 0.602 611 HD13 LEU 71 HD13 LEU 79 4.027 7.149 1.976 612 HD21 LEU 71 HD21 LEU 79 4.823 7.811 3.907 613 HD22 LEU 71 HD22 LEU 79 6.285 6.929 4.292 614 HD23 LEU 71 HD23 LEU 79 6.330 8.666 4.067 615 H GLU 72 H GLU 80 9.102 3.881 3.484 616 HA GLU 72 HA GLU 80 11.216 3.458 1.456 617 HB2 GLU 72 HB2 GLU 80 11.539 3.009 3.958 618 HB3 GLU 72 HB3 GLU 80 10.407 1.697 3.807 619 HG2 GLU 72 HG2 GLU 80 11.956 0.756 1.931 620 HG3 GLU 72 HG3 GLU 80 13.118 1.957 2.414 621 H THR 73 H THR 81 11.072 1.859 -0.128 622 HA THR 73 HA THR 81 8.506 0.386 -0.492 623 HB THR 73 HB THR 81 9.044 0.208 -2.783 624 HG1 THR 73 HG1 THR 81 11.030 1.043 -3.640 625 HG21 THR 73 HG21 THR 81 9.233 2.480 -3.633 626 HG22 THR 73 HG22 THR 81 8.174 2.438 -2.231 627 HG23 THR 73 HG23 THR 81 9.808 3.065 -2.079 628 H MET 74 H MET 82 9.105 -1.708 -1.959 629 HA MET 74 HA MET 82 10.052 -3.618 -0.161 630 HB2 MET 74 HB2 MET 82 9.761 -3.952 -3.173 631 HB3 MET 74 HB3 MET 82 9.730 -5.224 -1.990 632 HG2 MET 74 HG2 MET 82 7.594 -4.170 -1.031 633 HG3 MET 74 HG3 MET 82 7.639 -3.028 -2.359 634 HE1 MET 74 HE1 MET 82 4.774 -4.962 -3.877 635 HE2 MET 74 HE2 MET 82 5.009 -4.202 -2.299 636 HE3 MET 74 HE3 MET 82 5.586 -3.396 -3.755 637 H THR 75 H THR 83 11.783 -2.077 -2.893 638 HA THR 75 HA THR 83 14.223 -3.671 -2.453 639 HB THR 75 HB THR 83 15.045 -2.088 -4.374 640 HG1 THR 75 HG1 THR 83 13.367 -1.149 -5.550 641 HG21 THR 75 HG21 THR 83 13.839 -3.385 -6.133 642 HG22 THR 75 HG22 THR 83 14.475 -4.412 -4.859 643 HG23 THR 75 HG23 THR 83 12.765 -4.036 -4.886 644 H GLY 76 H GLY 84 12.861 -0.982 -0.936 645 HA2 GLY 76 HA2 GLY 84 13.892 0.064 0.845 646 HA3 GLY 76 HA3 GLY 84 15.482 -0.301 0.236 647 H GLU 77 H GLU 85 13.157 1.181 -2.024 648 HA GLU 77 HA GLU 85 14.778 3.510 -2.447 649 HB2 GLU 77 HB2 GLU 85 11.895 3.009 -3.302 650 HB3 GLU 77 HB3 GLU 85 12.981 4.164 -3.985 651 HG2 GLU 77 HG2 GLU 85 14.404 2.464 -4.974 652 HG3 GLU 77 HG3 GLU 85 13.606 1.178 -4.111 653 H LYS 78 H LYS 86 14.876 5.216 -1.042 654 HA LYS 78 HA LYS 86 12.577 5.764 0.771 655 HB2 LYS 78 HB2 LYS 86 15.450 6.733 1.027 656 HB3 LYS 78 HB3 LYS 86 14.157 6.827 2.190 657 HG2 LYS 78 HG2 LYS 86 14.163 4.131 1.894 658 HG3 LYS 78 HG3 LYS 86 15.771 4.437 1.302 659 HD2 LYS 78 HD2 LYS 86 16.148 3.998 3.558 660 HD3 LYS 78 HD3 LYS 86 16.186 5.743 3.502 661 HE2 LYS 78 HE2 LYS 86 13.786 5.825 4.286 662 HE3 LYS 78 HE3 LYS 86 13.750 4.071 4.327 663 HZ1 LYS 78 HZ1 LYS 86 14.183 4.984 6.456 664 HZ2 LYS 78 HZ2 LYS 86 15.495 4.122 5.950 665 HZ3 LYS 78 HZ3 LYS 86 15.524 5.775 5.913 666 H VAL 79 H VAL 87 11.353 7.505 0.430 667 HA VAL 79 HA VAL 87 12.334 9.813 -1.139 668 HB VAL 79 HB VAL 87 10.075 9.643 -2.406 669 HG11 VAL 79 HG11 VAL 87 11.030 8.367 -4.243 670 HG12 VAL 79 HG12 VAL 87 12.265 9.388 -3.521 671 HG13 VAL 79 HG13 VAL 87 12.241 7.658 -3.184 672 HG21 VAL 79 HG21 VAL 87 9.146 7.418 -2.845 673 HG22 VAL 79 HG22 VAL 87 10.285 6.664 -1.747 674 HG23 VAL 79 HG23 VAL 87 9.040 7.731 -1.122 675 H LYS 80 H LYS 88 11.775 11.651 -0.200 676 HA LYS 80 HA LYS 88 9.828 11.795 1.924 677 HB2 LYS 80 HB2 LYS 88 11.634 13.830 0.544 678 HB3 LYS 80 HB3 LYS 88 10.322 14.359 1.533 679 HG2 LYS 80 HG2 LYS 88 11.604 14.283 3.307 680 HG3 LYS 80 HG3 LYS 88 11.385 12.573 3.294 681 HD2 LYS 80 HD2 LYS 88 13.718 12.863 3.485 682 HD3 LYS 80 HD3 LYS 88 13.492 12.412 1.817 683 HE2 LYS 80 HE2 LYS 88 13.700 14.801 1.107 684 HE3 LYS 80 HE3 LYS 88 13.789 15.308 2.785 685 HZ1 LYS 80 HZ1 LYS 88 15.934 15.158 1.805 686 HZ2 LYS 80 HZ2 LYS 88 15.795 14.048 3.017 687 HZ3 LYS 80 HZ3 LYS 88 15.722 13.561 1.445 688 H THR 81 H THR 89 7.843 12.647 1.985 689 HA THR 81 HA THR 89 6.644 14.267 -0.008 690 HB THR 81 HB THR 89 6.509 12.095 -1.280 691 HG1 THR 81 HG1 THR 89 4.134 12.050 -1.317 692 HG21 THR 81 HG21 THR 89 5.033 10.266 -0.495 693 HG22 THR 81 HG22 THR 89 6.417 10.440 0.578 694 HG23 THR 81 HG23 THR 89 4.830 11.027 1.066 695 H VAL 82 H VAL 90 4.310 14.676 0.553 696 HA VAL 82 HA VAL 90 3.700 14.250 3.454 697 HB VAL 82 HB VAL 90 2.492 16.250 1.479 698 HG11 VAL 82 HG11 VAL 90 1.484 17.300 3.536 699 HG12 VAL 82 HG12 VAL 90 0.837 15.707 3.223 700 HG13 VAL 82 HG13 VAL 90 2.044 15.930 4.486 701 HG21 VAL 82 HG21 VAL 90 3.665 18.013 2.783 702 HG22 VAL 82 HG22 VAL 90 4.494 16.769 3.708 703 HG23 VAL 82 HG23 VAL 90 4.792 16.942 1.976 704 H VAL 83 H VAL 91 1.936 13.037 3.945 705 HA VAL 83 HA VAL 91 0.143 12.050 1.767 706 HB VAL 83 HB VAL 91 0.573 11.038 4.601 707 HG11 VAL 83 HG11 VAL 91 -0.808 9.048 3.821 708 HG12 VAL 83 HG12 VAL 91 -1.727 10.530 3.950 709 HG13 VAL 83 HG13 VAL 91 -1.197 9.964 2.367 710 HG21 VAL 83 HG21 VAL 91 1.603 9.019 3.585 711 HG22 VAL 83 HG22 VAL 91 1.531 9.776 2.001 712 HG23 VAL 83 HG23 VAL 91 2.545 10.461 3.263 713 H GLN 84 H GLN 92 -1.860 12.888 1.712 714 HA GLN 84 HA GLN 92 -2.988 14.294 4.079 715 HB2 GLN 84 HB2 GLN 92 -2.548 15.212 1.228 716 HB3 GLN 84 HB3 GLN 92 -4.088 15.619 1.895 717 HG2 GLN 84 HG2 GLN 92 -1.414 16.375 3.147 718 HG3 GLN 84 HG3 GLN 92 -2.448 17.439 2.224 719 HE21 GLN 84 HE21 GLN 92 -1.502 17.380 5.166 720 HE22 GLN 84 HE22 GLN 92 -2.973 17.629 6.070 721 H LEU 85 H LEU 93 -5.225 14.345 4.289 722 HA LEU 85 HA LEU 93 -6.624 12.055 3.025 723 HB2 LEU 85 HB2 LEU 93 -6.347 12.333 5.608 724 HB3 LEU 85 HB3 LEU 93 -7.420 13.684 5.469 725 HG LEU 85 HG LEU 93 -9.014 11.913 4.251 726 HD11 LEU 85 HD11 LEU 93 -8.720 9.636 4.792 727 HD12 LEU 85 HD12 LEU 93 -7.097 10.144 4.350 728 HD13 LEU 85 HD13 LEU 93 -7.529 9.974 6.043 729 HD21 LEU 85 HD21 LEU 93 -10.144 11.448 6.322 730 HD22 LEU 85 HD22 LEU 93 -8.686 11.745 7.269 731 HD23 LEU 85 HD23 LEU 93 -9.487 13.074 6.436 732 H GLU 86 H GLU 94 -8.407 12.419 1.743 733 HA GLU 86 HA GLU 94 -9.217 15.177 1.112 734 HB2 GLU 86 HB2 GLU 94 -10.352 14.188 -0.774 735 HB3 GLU 86 HB3 GLU 94 -8.713 13.627 -0.698 736 HG2 GLU 86 HG2 GLU 94 -9.506 11.474 0.338 737 HG3 GLU 86 HG3 GLU 94 -11.162 12.012 0.212 738 H GLY 87 H GLY 95 -9.953 13.627 3.737 739 HA2 GLY 87 HA2 GLY 95 -11.637 13.877 5.252 740 HA3 GLY 87 HA3 GLY 95 -12.514 14.877 4.111 741 H ASP 88 H ASP 96 -11.656 11.721 2.872 742 HA ASP 88 HA ASP 96 -14.254 10.497 3.562 743 HB2 ASP 88 HB2 ASP 96 -14.584 11.920 1.488 744 HB3 ASP 88 HB3 ASP 96 -13.314 10.999 0.697 745 H ASN 89 H ASN 97 -12.225 9.612 4.822 746 HA ASN 89 HA ASN 97 -10.745 8.075 5.213 747 HB2 ASN 89 HB2 ASN 97 -11.803 5.628 4.831 748 HB3 ASN 89 HB3 ASN 97 -12.413 6.769 5.947 749 HD21 ASN 89 HD21 ASN 97 -13.059 5.800 2.528 750 HD22 ASN 89 HD22 ASN 97 -14.769 6.132 2.638 751 H LYS 90 H LYS 98 -9.831 9.240 2.923 752 HA LYS 90 HA LYS 98 -8.486 7.087 1.411 753 HB2 LYS 90 HB2 LYS 98 -10.208 9.386 0.411 754 HB3 LYS 90 HB3 LYS 98 -8.963 8.725 -0.619 755 HG2 LYS 90 HG2 LYS 98 -9.994 6.612 -0.752 756 HG3 LYS 90 HG3 LYS 98 -11.045 6.893 0.597 757 HD2 LYS 90 HD2 LYS 98 -12.603 7.234 -1.006 758 HD3 LYS 90 HD3 LYS 98 -12.009 8.858 -0.968 759 HE2 LYS 90 HE2 LYS 98 -11.122 6.715 -2.971 760 HE3 LYS 90 HE3 LYS 98 -12.266 8.004 -3.288 761 HZ1 LYS 90 HZ1 LYS 98 -10.118 8.560 -4.087 762 HZ2 LYS 90 HZ2 LYS 98 -10.541 9.592 -2.870 763 HZ3 LYS 90 HZ3 LYS 98 -9.450 8.394 -2.586 764 H LEU 91 H LEU 99 -6.367 7.405 1.397 765 HA LEU 91 HA LEU 99 -5.225 10.053 2.083 766 HB2 LEU 91 HB2 LEU 99 -4.029 7.260 1.904 767 HB3 LEU 91 HB3 LEU 99 -3.125 8.695 2.304 768 HG LEU 91 HG LEU 99 -5.441 7.707 3.969 769 HD11 LEU 91 HD11 LEU 99 -4.186 6.103 4.897 770 HD12 LEU 91 HD12 LEU 99 -2.936 6.388 3.705 771 HD13 LEU 91 HD13 LEU 99 -2.867 7.201 5.248 772 HD21 LEU 91 HD21 LEU 99 -5.134 9.467 5.357 773 HD22 LEU 91 HD22 LEU 99 -3.394 9.311 5.378 774 HD23 LEU 91 HD23 LEU 99 -4.167 10.208 4.093 775 H VAL 92 H VAL 100 -3.867 11.132 0.661 776 HA VAL 92 HA VAL 100 -3.326 9.988 -2.043 777 HB VAL 92 HB VAL 100 -4.249 12.823 -1.344 778 HG11 VAL 92 HG11 VAL 100 -4.278 13.228 -3.833 779 HG12 VAL 92 HG12 VAL 100 -2.663 13.033 -3.196 780 HG13 VAL 92 HG13 VAL 100 -3.427 11.704 -4.064 781 HG21 VAL 92 HG21 VAL 100 -6.241 12.344 -2.768 782 HG22 VAL 92 HG22 VAL 100 -5.730 10.666 -2.905 783 HG23 VAL 92 HG23 VAL 100 -6.188 11.333 -1.343 784 H THR 93 H THR 101 -1.244 10.351 -2.762 785 HA THR 93 HA THR 101 0.434 12.431 -1.604 786 HB THR 93 HB THR 101 0.606 10.466 0.020 787 HG1 THR 93 HG1 THR 101 2.267 11.909 -0.129 788 HG21 THR 93 HG21 THR 101 1.994 8.515 -0.575 789 HG22 THR 93 HG22 THR 101 0.549 8.545 -1.584 790 HG23 THR 93 HG23 THR 101 2.114 9.032 -2.237 791 H THR 94 H THR 102 2.330 12.850 -2.842 792 HA THR 94 HA THR 102 2.734 11.371 -5.372 793 HB THR 94 HB THR 102 2.946 13.659 -6.531 794 HG1 THR 94 HG1 THR 102 2.989 14.907 -4.648 795 HG21 THR 94 HG21 THR 102 0.502 14.056 -6.888 796 HG22 THR 94 HG22 THR 102 0.978 12.393 -7.117 797 HG23 THR 94 HG23 THR 102 0.129 12.872 -5.643 798 H PHE 95 H PHE 103 4.847 11.117 -5.778 799 HA PHE 95 HA PHE 103 6.850 12.436 -4.052 800 HB2 PHE 95 HB2 PHE 103 7.239 10.180 -6.080 801 HB3 PHE 95 HB3 PHE 103 8.337 10.683 -4.827 802 HD1 PHE 95 HD1 PHE 103 7.804 10.127 -2.396 803 HD2 PHE 95 HD2 PHE 103 5.251 8.845 -5.620 804 HE1 PHE 95 HE1 PHE 103 6.745 8.456 -0.931 805 HE2 PHE 95 HE2 PHE 103 4.202 7.202 -4.129 806 HZ PHE 95 HZ PHE 103 4.962 6.991 -1.794 807 H LYS 96 H LYS 104 6.472 11.634 -7.553 808 HA LYS 96 HA LYS 104 7.783 14.138 -8.405 809 HB2 LYS 96 HB2 LYS 104 8.795 11.329 -9.119 810 HB3 LYS 96 HB3 LYS 104 9.290 12.801 -9.913 811 HG2 LYS 96 HG2 LYS 104 10.216 13.648 -7.729 812 HG3 LYS 96 HG3 LYS 104 9.778 12.132 -6.979 813 HD2 LYS 96 HD2 LYS 104 11.238 10.902 -8.613 814 HD3 LYS 96 HD3 LYS 104 11.740 12.433 -9.288 815 HE2 LYS 96 HE2 LYS 104 12.682 13.118 -7.061 816 HE3 LYS 96 HE3 LYS 104 12.161 11.591 -6.368 817 HZ1 LYS 96 HZ1 LYS 104 14.441 11.533 -6.999 818 HZ2 LYS 96 HZ2 LYS 104 13.587 10.457 -7.909 819 HZ3 LYS 96 HZ3 LYS 104 14.079 11.886 -8.567 820 H ASN 97 H ASN 105 7.012 11.025 -9.989 821 HA ASN 97 HA ASN 105 4.922 12.317 -11.708 822 HB2 ASN 97 HB2 ASN 105 7.134 11.606 -12.794 823 HB3 ASN 97 HB3 ASN 105 6.819 9.966 -12.291 824 HD21 ASN 97 HD21 ASN 105 6.467 8.910 -14.234 825 HD22 ASN 97 HD22 ASN 105 5.331 9.429 -15.451 826 H ILE 98 H ILE 106 5.581 9.911 -9.297 827 HA ILE 98 HA ILE 106 3.437 8.083 -10.083 828 HB ILE 98 HB ILE 106 5.223 8.144 -7.622 829 HG12 ILE 98 HG12 ILE 106 5.671 6.268 -9.919 830 HG13 ILE 98 HG13 ILE 106 6.416 7.834 -9.931 831 HG21 ILE 98 HG21 ILE 106 4.601 5.751 -7.315 832 HG22 ILE 98 HG22 ILE 106 3.181 6.764 -7.239 833 HG23 ILE 98 HG23 ILE 106 3.517 5.846 -8.697 834 HD11 ILE 98 HD11 ILE 106 8.032 6.342 -9.006 835 HD12 ILE 98 HD12 ILE 106 7.458 7.319 -7.661 836 HD13 ILE 98 HD13 ILE 106 6.890 5.661 -7.860 837 H LYS 99 H LYS 107 1.371 8.736 -9.620 838 HA LYS 99 HA LYS 107 0.789 10.258 -7.125 839 HB2 LYS 99 HB2 LYS 107 0.067 11.269 -9.273 840 HB3 LYS 99 HB3 LYS 107 -0.846 9.850 -9.672 841 HG2 LYS 99 HG2 LYS 107 -1.587 10.930 -7.000 842 HG3 LYS 99 HG3 LYS 107 -1.701 12.152 -8.216 843 HD2 LYS 99 HD2 LYS 107 -3.058 9.429 -8.455 844 HD3 LYS 99 HD3 LYS 107 -3.825 10.830 -7.760 845 HE2 LYS 99 HE2 LYS 107 -3.529 12.064 -9.952 846 HE3 LYS 99 HE3 LYS 107 -2.816 10.623 -10.655 847 HZ1 LYS 99 HZ1 LYS 107 -5.119 10.796 -11.154 848 HZ2 LYS 99 HZ2 LYS 107 -4.856 9.464 -10.218 849 HZ3 LYS 99 HZ3 LYS 107 -5.527 10.818 -9.558 850 H SER 100 H SER 108 0.208 9.098 -5.454 851 HA SER 100 HA SER 108 -0.878 6.343 -5.838 852 HB2 SER 100 HB2 SER 108 0.883 7.564 -3.645 853 HB3 SER 100 HB3 SER 108 0.354 5.886 -3.744 854 HG SER 100 HG SER 108 1.616 5.549 -5.451 855 H VAL 101 H VAL 109 -2.917 6.022 -5.109 856 HA VAL 101 HA VAL 109 -4.027 7.769 -2.967 857 HB VAL 101 HB VAL 109 -5.419 6.838 -5.520 858 HG11 VAL 101 HG11 VAL 109 -7.353 8.251 -4.731 859 HG12 VAL 101 HG12 VAL 109 -7.095 6.840 -3.730 860 HG13 VAL 101 HG13 VAL 109 -6.559 8.419 -3.170 861 HG21 VAL 101 HG21 VAL 109 -5.626 9.276 -6.051 862 HG22 VAL 101 HG22 VAL 109 -4.571 9.641 -4.689 863 HG23 VAL 101 HG23 VAL 109 -3.966 8.718 -6.058 864 H THR 102 H THR 110 -4.534 6.543 -1.265 865 HA THR 102 HA THR 110 -5.411 3.707 -1.609 866 HB THR 102 HB THR 110 -4.188 5.228 0.736 867 HG1 THR 102 HG1 THR 110 -2.750 3.391 0.514 868 HG21 THR 102 HG21 THR 110 -4.246 3.067 2.033 869 HG22 THR 102 HG22 THR 110 -5.834 3.774 1.856 870 HG23 THR 102 HG23 THR 110 -5.365 2.403 0.846 871 H GLU 103 H GLU 111 -7.229 3.014 -0.456 872 HA GLU 103 HA GLU 111 -9.099 4.986 0.673 873 HB2 GLU 103 HB2 GLU 111 -9.657 4.692 -1.743 874 HB3 GLU 103 HB3 GLU 111 -9.679 2.975 -1.547 875 HG2 GLU 103 HG2 GLU 111 -11.664 3.014 -0.156 876 HG3 GLU 103 HG3 GLU 111 -11.590 4.741 0.049 877 H LEU 104 H LEU 112 -10.382 4.222 2.240 878 HA LEU 104 HA LEU 112 -10.166 1.399 3.160 879 HB2 LEU 104 HB2 LEU 112 -8.836 2.696 4.686 880 HB3 LEU 104 HB3 LEU 112 -9.905 4.055 4.606 881 HG LEU 104 HG LEU 112 -11.649 2.821 5.902 882 HD11 LEU 104 HD11 LEU 112 -11.012 0.790 7.148 883 HD12 LEU 104 HD12 LEU 112 -10.994 0.469 5.418 884 HD13 LEU 104 HD13 LEU 112 -9.479 0.717 6.292 885 HD21 LEU 104 HD21 LEU 112 -10.529 3.056 8.052 886 HD22 LEU 104 HD22 LEU 112 -8.960 3.132 7.237 887 HD23 LEU 104 HD23 LEU 112 -10.147 4.408 6.995 888 H ASN 105 H ASN 113 -12.119 0.478 2.884 889 HA ASN 105 HA ASN 113 -14.621 2.050 3.402 890 HB2 ASN 105 HB2 ASN 113 -14.267 -0.210 1.369 891 HB3 ASN 105 HB3 ASN 113 -15.736 0.674 1.697 892 HD21 ASN 105 HD21 ASN 113 -15.129 3.344 1.529 893 HD22 ASN 105 HD22 ASN 113 -14.423 3.692 -0.034 894 H GLY 106 H GLY 114 -13.877 1.334 5.608 895 HA2 GLY 106 HA2 GLY 114 -14.421 0.121 7.461 896 HA3 GLY 106 HA3 GLY 114 -15.564 -0.802 6.498 897 H ASP 107 H ASP 115 -15.051 -2.941 6.080 898 HA ASP 107 HA ASP 115 -12.502 -4.001 6.967 899 HB2 ASP 107 HB2 ASP 115 -13.471 -6.245 6.352 900 HB3 ASP 107 HB3 ASP 115 -14.296 -5.405 7.609 901 H ILE 108 H ILE 116 -13.397 -2.598 4.001 902 HA ILE 108 HA ILE 116 -11.561 -4.401 2.453 903 HB ILE 108 HB ILE 116 -13.676 -2.443 1.464 904 HG12 ILE 108 HG12 ILE 116 -14.889 -4.203 2.503 905 HG13 ILE 108 HG13 ILE 116 -15.032 -4.379 0.790 906 HG21 ILE 108 HG21 ILE 116 -13.367 -3.577 -0.761 907 HG22 ILE 108 HG22 ILE 116 -11.963 -2.668 -0.256 908 HG23 ILE 108 HG23 ILE 116 -11.966 -4.421 -0.111 909 HD11 ILE 108 HD11 ILE 116 -14.660 -6.604 1.490 910 HD12 ILE 108 HD12 ILE 116 -13.009 -6.143 1.088 911 HD13 ILE 108 HD13 ILE 116 -13.550 -6.131 2.764 912 H ILE 109 H ILE 117 -9.752 -3.553 1.556 913 HA ILE 109 HA ILE 117 -9.274 -0.600 1.648 914 HB ILE 109 HB ILE 117 -7.325 -2.929 1.785 915 HG12 ILE 109 HG12 ILE 117 -8.319 -2.602 3.902 916 HG13 ILE 109 HG13 ILE 117 -6.647 -2.152 3.983 917 HG21 ILE 109 HG21 ILE 117 -5.477 -1.231 2.071 918 HG22 ILE 109 HG22 ILE 117 -6.151 -1.263 0.461 919 HG23 ILE 109 HG23 ILE 117 -6.601 0.025 1.570 920 HD11 ILE 109 HD11 ILE 117 -7.704 -0.420 5.199 921 HD12 ILE 109 HD12 ILE 117 -7.629 0.345 3.619 922 HD13 ILE 109 HD13 ILE 117 -9.120 -0.421 4.161 923 H THR 110 H THR 118 -8.604 0.320 -0.261 924 HA THR 110 HA THR 118 -7.949 -1.419 -2.582 925 HB THR 110 HB THR 118 -9.854 0.985 -2.618 926 HG1 THR 110 HG1 THR 118 -10.809 -0.926 -2.012 927 HG21 THR 110 HG21 THR 118 -10.098 0.490 -5.080 928 HG22 THR 110 HG22 THR 118 -8.504 1.105 -4.694 929 HG23 THR 110 HG23 THR 118 -8.733 -0.621 -4.978 930 H ASN 111 H ASN 119 -5.990 -0.842 -3.327 931 HA ASN 111 HA ASN 119 -5.008 1.949 -2.937 932 HB2 ASN 111 HB2 ASN 119 -3.582 0.315 -1.775 933 HB3 ASN 111 HB3 ASN 119 -3.501 -0.693 -3.198 934 HD21 ASN 111 HD21 ASN 119 -3.060 2.910 -2.798 935 HD22 ASN 111 HD22 ASN 119 -1.467 2.923 -3.504 936 H THR 112 H THR 120 -4.654 3.112 -4.752 937 HA THR 112 HA THR 120 -4.429 1.795 -7.394 938 HB THR 112 HB THR 120 -6.228 4.176 -6.673 939 HG1 THR 112 HG1 THR 120 -7.125 2.158 -6.319 940 HG21 THR 112 HG21 THR 120 -6.887 4.173 -9.117 941 HG22 THR 112 HG22 THR 120 -5.240 4.719 -8.875 942 HG23 THR 112 HG23 THR 120 -5.544 3.086 -9.457 943 H MET 113 H MET 121 -2.484 2.404 -8.190 944 HA MET 113 HA MET 121 -1.479 5.154 -7.638 945 HB2 MET 113 HB2 MET 121 0.279 2.686 -7.907 946 HB3 MET 113 HB3 MET 121 0.790 4.305 -7.525 947 HG2 MET 113 HG2 MET 121 -0.805 4.006 -5.408 948 HG3 MET 113 HG3 MET 121 -0.665 2.305 -5.760 949 HE1 MET 113 HE1 MET 121 3.213 1.694 -5.228 950 HE2 MET 113 HE2 MET 121 1.658 0.861 -5.195 951 HE3 MET 113 HE3 MET 121 2.173 1.723 -6.658 952 H THR 114 H THR 122 -0.617 6.243 -9.349 953 HA THR 114 HA THR 122 -0.703 4.963 -12.054 954 HB THR 114 HB THR 122 -1.564 7.767 -11.169 955 HG1 THR 114 HG1 THR 122 -3.025 5.715 -12.427 956 HG21 THR 114 HG21 THR 122 -2.253 8.091 -13.588 957 HG22 THR 114 HG22 THR 122 -0.515 8.059 -13.386 958 HG23 THR 114 HG23 THR 122 -1.344 6.644 -14.017 959 H LEU 115 H LEU 123 1.327 4.796 -12.760 960 HA LEU 115 HA LEU 123 3.263 7.024 -12.344 961 HB2 LEU 115 HB2 LEU 123 4.022 5.174 -11.003 962 HB3 LEU 115 HB3 LEU 123 3.646 4.009 -12.232 963 HG LEU 115 HG LEU 123 5.469 4.703 -13.638 964 HD11 LEU 115 HD11 LEU 123 7.084 6.484 -12.112 965 HD12 LEU 115 HD12 LEU 123 6.319 6.775 -13.663 966 HD13 LEU 115 HD13 LEU 123 5.497 7.224 -12.181 967 HD21 LEU 115 HD21 LEU 123 7.261 3.810 -12.426 968 HD22 LEU 115 HD22 LEU 123 6.678 4.426 -10.883 969 HD23 LEU 115 HD23 LEU 123 5.831 3.111 -11.688 970 H GLY 116 H GLY 124 3.168 8.082 -14.212 971 HA2 GLY 116 HA2 GLY 124 3.423 8.581 -16.411 972 HA3 GLY 116 HA3 GLY 124 4.273 7.056 -16.600 973 H ASP 117 H ASP 125 3.305 5.516 -17.815 974 HA ASP 117 HA ASP 125 0.559 5.902 -18.809 975 HB2 ASP 117 HB2 ASP 125 1.461 4.229 -20.643 976 HB3 ASP 117 HB3 ASP 125 1.862 5.922 -20.656 977 H ILE 118 H ILE 126 1.831 4.158 -16.314 978 HA ILE 118 HA ILE 126 0.056 1.787 -16.786 979 HB ILE 118 HB ILE 126 2.665 2.029 -15.229 980 HG12 ILE 118 HG12 ILE 126 2.050 0.296 -17.655 981 HG13 ILE 118 HG13 ILE 126 2.847 1.835 -17.766 982 HG21 ILE 118 HG21 ILE 126 2.452 -0.464 -14.825 983 HG22 ILE 118 HG22 ILE 126 1.254 0.455 -13.959 984 HG23 ILE 118 HG23 ILE 126 0.810 -0.399 -15.436 985 HD11 ILE 118 HD11 ILE 126 4.791 0.697 -17.570 986 HD12 ILE 118 HD12 ILE 126 4.424 0.567 -15.854 987 HD13 ILE 118 HD13 ILE 126 3.993 -0.743 -16.950 988 H VAL 119 H VAL 127 -1.386 1.249 -15.198 989 HA VAL 119 HA VAL 127 -1.435 2.888 -12.707 990 HB VAL 119 HB VAL 127 -3.852 1.961 -14.316 991 HG11 VAL 119 HG11 VAL 127 -5.182 3.324 -12.712 992 HG12 VAL 119 HG12 VAL 127 -4.350 2.039 -11.862 993 HG13 VAL 119 HG13 VAL 127 -3.731 3.676 -11.784 994 HG21 VAL 119 HG21 VAL 127 -4.276 4.393 -14.714 995 HG22 VAL 119 HG22 VAL 127 -2.699 4.761 -14.026 996 HG23 VAL 119 HG23 VAL 127 -2.821 3.827 -15.510 997 H PHE 120 H PHE 128 -0.622 1.464 -11.290 998 HA PHE 120 HA PHE 128 -1.344 -1.322 -11.054 999 HB2 PHE 120 HB2 PHE 128 0.777 -0.494 -10.262 1000 HB3 PHE 120 HB3 PHE 128 0.048 0.727 -9.274 1001 HD1 PHE 120 HD1 PHE 128 0.247 0.298 -6.979 1002 HD2 PHE 120 HD2 PHE 128 -0.302 -3.032 -9.663 1003 HE1 PHE 120 HE1 PHE 128 0.413 -1.278 -5.087 1004 HE2 PHE 120 HE2 PHE 128 -0.197 -4.561 -7.761 1005 HZ PHE 120 HZ PHE 128 0.220 -3.696 -5.475 1006 H LYS 121 H LYS 129 -2.934 -2.261 -9.821 1007 HA LYS 121 HA LYS 129 -4.238 -0.695 -7.736 1008 HB2 LYS 121 HB2 LYS 129 -5.765 -2.125 -9.957 1009 HB3 LYS 121 HB3 LYS 129 -6.464 -1.862 -8.401 1010 HG2 LYS 121 HG2 LYS 129 -7.162 0.150 -8.972 1011 HG3 LYS 121 HG3 LYS 129 -5.528 0.699 -9.061 1012 HD2 LYS 121 HD2 LYS 129 -6.493 1.272 -11.138 1013 HD3 LYS 121 HD3 LYS 129 -5.444 -0.082 -11.480 1014 HE2 LYS 121 HE2 LYS 129 -7.409 -1.635 -11.511 1015 HE3 LYS 121 HE3 LYS 129 -8.472 -0.313 -11.059 1016 HZ1 LYS 121 HZ1 LYS 129 -8.511 -0.711 -13.387 1017 HZ2 LYS 121 HZ2 LYS 129 -7.892 0.788 -13.091 1018 HZ3 LYS 121 HZ3 LYS 129 -6.888 -0.448 -13.521 1019 H ARG 122 H ARG 130 -5.272 -1.966 -6.125 1020 HA ARG 122 HA ARG 130 -4.785 -4.811 -5.962 1021 HB2 ARG 122 HB2 ARG 130 -2.526 -3.836 -5.480 1022 HB3 ARG 122 HB3 ARG 130 -3.202 -2.840 -4.228 1023 HG2 ARG 122 HG2 ARG 130 -3.783 -4.889 -2.904 1024 HG3 ARG 122 HG3 ARG 130 -3.196 -5.893 -4.201 1025 HD2 ARG 122 HD2 ARG 130 -1.095 -3.971 -3.510 1026 HD3 ARG 122 HD3 ARG 130 -1.709 -4.670 -2.033 1027 HE ARG 122 HE ARG 130 -0.354 -6.384 -2.495 1028 HH11 ARG 122 HH11 ARG 130 -1.526 -5.344 -5.691 1029 HH12 ARG 122 HH12 ARG 130 -0.638 -6.591 -6.528 1030 HH21 ARG 122 HH21 ARG 130 0.740 -7.961 -3.591 1031 HH22 ARG 122 HH22 ARG 130 0.600 -8.147 -5.320 1032 H ILE 123 H ILE 131 -6.084 -5.744 -4.420 1033 HA ILE 123 HA ILE 131 -7.719 -3.969 -2.661 1034 HB ILE 123 HB ILE 131 -8.586 -6.550 -4.056 1035 HG12 ILE 123 HG12 ILE 131 -10.412 -4.765 -4.918 1036 HG13 ILE 123 HG13 ILE 131 -9.124 -3.636 -4.676 1037 HG21 ILE 123 HG21 ILE 131 -10.848 -6.093 -3.102 1038 HG22 ILE 123 HG22 ILE 131 -9.689 -6.412 -1.844 1039 HG23 ILE 123 HG23 ILE 131 -10.185 -4.754 -2.172 1040 HD11 ILE 123 HD11 ILE 131 -8.608 -4.233 -6.860 1041 HD12 ILE 123 HD12 ILE 131 -7.840 -5.654 -6.171 1042 HD13 ILE 123 HD13 ILE 131 -9.490 -5.750 -6.758 1043 H SER 124 H SER 132 -7.885 -4.603 -0.580 1044 HA SER 124 HA SER 132 -6.937 -7.265 0.291 1045 HB2 SER 124 HB2 SER 132 -6.044 -4.555 1.437 1046 HB3 SER 124 HB3 SER 132 -5.893 -6.057 2.319 1047 HG SER 124 HG SER 132 -4.017 -5.510 1.181 1048 H LYS 125 H LYS 133 -7.829 -7.841 2.446 1049 HA LYS 125 HA LYS 133 -10.235 -6.351 3.257 1050 HB2 LYS 125 HB2 LYS 133 -11.010 -7.970 1.621 1051 HB3 LYS 125 HB3 LYS 133 -10.228 -9.292 2.443 1052 HG2 LYS 125 HG2 LYS 133 -12.261 -7.673 3.981 1053 HG3 LYS 125 HG3 LYS 133 -12.851 -8.681 2.700 1054 HD2 LYS 125 HD2 LYS 133 -12.194 -10.688 3.738 1055 HD3 LYS 125 HD3 LYS 133 -10.999 -9.938 4.740 1056 HE2 LYS 125 HE2 LYS 133 -12.948 -10.609 6.101 1057 HE3 LYS 125 HE3 LYS 133 -12.805 -8.862 6.116 1058 HZ1 LYS 125 HZ1 LYS 133 -15.040 -9.580 5.777 1059 HZ2 LYS 125 HZ2 LYS 133 -14.514 -8.715 4.489 1060 HZ3 LYS 125 HZ3 LYS 133 -14.634 -10.362 4.382 1061 H ARG 126 H ARG 134 -10.814 -6.560 5.383 1062 HA ARG 126 HA ARG 134 -8.717 -6.726 7.159 1063 HB2 ARG 126 HB2 ARG 134 -10.626 -5.259 7.325 1064 HB3 ARG 126 HB3 ARG 134 -11.707 -6.569 7.700 1065 HG2 ARG 126 HG2 ARG 134 -10.758 -6.819 9.956 1066 HG3 ARG 126 HG3 ARG 134 -9.302 -6.084 9.405 1067 HD2 ARG 126 HD2 ARG 134 -10.560 -4.625 10.931 1068 HD3 ARG 126 HD3 ARG 134 -9.952 -3.887 9.469 1069 HE ARG 126 HE ARG 134 -12.709 -4.929 9.354 1070 HH11 ARG 126 HH11 ARG 134 -10.783 -2.135 10.457 1071 HH12 ARG 126 HH12 ARG 134 -12.154 -1.065 10.519 1072 HH21 ARG 126 HH21 ARG 134 -14.479 -3.476 9.383 1073 HH22 ARG 126 HH22 ARG 134 -14.268 -1.849 9.965 1074 H ILE 127 H ILE 135 -8.153 -8.005 8.902 1075 HA ILE 127 HA ILE 135 -8.854 -10.883 8.643 1076 HB ILE 127 HB ILE 135 -6.566 -9.625 10.215 1077 HG12 ILE 127 HG12 ILE 135 -6.396 -10.697 7.388 1078 HG13 ILE 127 HG13 ILE 135 -6.374 -9.009 7.770 1079 HG21 ILE 127 HG21 ILE 135 -5.583 -11.911 10.100 1080 HG22 ILE 127 HG22 ILE 135 -7.172 -11.986 10.827 1081 HG23 ILE 127 HG23 ILE 135 -6.953 -12.474 9.150 1082 HD11 ILE 127 HD11 ILE 135 -4.144 -9.135 7.917 1083 HD12 ILE 127 HD12 ILE 135 -4.317 -10.063 9.395 1084 HD13 ILE 127 HD13 ILE 135 -4.156 -10.895 7.853 1085 H2 2VN 201 H152 DRG 176 4.015 2.858 2.437 1086 H1 2VN 201 H151 DRG 176 3.543 4.463 1.991 1087 H18 2VN 201 H212 DRG 176 -0.103 0.581 -0.920 1088 H17 2VN 201 H211 DRG 176 -1.143 1.957 -0.903 1089 H20 2VN 201 H222 DRG 176 1.677 2.583 -0.052 1090 H19 2VN 201 H221 DRG 176 1.522 1.947 -1.649 1091 H22 2VN 201 H232 DRG 176 1.439 4.308 -1.914 1092 H21 2VN 201 H231 DRG 176 -0.138 3.692 -2.253 1093 H23 2VN 201 H24 DRG 176 -0.677 4.263 0.249 1094 H24 2VN 201 H251 DRG 176 -1.701 5.464 -1.680 1095 H25 2VN 201 H252 DRG 176 -0.311 6.498 -1.753 1096 H26 2VN 201 H261 DRG 176 -2.639 6.765 -0.038 1097 H27 2VN 201 H262 DRG 176 -1.407 7.926 -0.394 1098 H28 2VN 201 H271 DRG 176 -1.462 5.867 1.843 1099 H29 2VN 201 H272 DRG 176 -1.306 7.590 2.000 1100 H31 2VN 201 H282 DRG 176 0.962 7.562 1.163 1101 H30 2VN 201 H281 DRG 176 0.841 6.403 2.438 1102 H32 2VN 201 H291 DRG 176 1.814 5.963 -0.189 1103 H33 2VN 201 H292 DRG 176 1.575 4.748 1.019 1104 H35 2VN 201 H112 DRG 176 2.712 -0.791 1.009 1105 H34 2VN 201 H111 DRG 176 1.616 -0.996 -0.329 1106 H3 2VN 201 H14 DRG 176 1.687 4.522 3.389 1107 HK6 2VN 201 H7 DRG 176 3.874 -2.585 -0.352 1108 HL7 2VN 201 H6 DRG 176 4.399 -4.969 -0.301 1109 HL8 2VN 201 H8 DRG 176 0.823 -5.747 1.932 1110 HK9 2VN 201 H9 DRG 176 0.300 -3.348 1.928 1111 HJ2 2VN 201 H43 DRG 176 2.913 -9.629 -2.240 1112 HJ1 2VN 201 H42 DRG 176 1.750 -9.496 -0.938 1113 HJ0 2VN 201 H41 DRG 176 3.418 -9.939 -0.589 1114 HJ4 2VN 201 H32 DRG 176 4.681 -7.890 -2.631 1115 HJ5 2VN 201 H33 DRG 176 4.968 -6.603 -1.480 1116 HJ3 2VN 201 H31 DRG 176 5.309 -8.261 -1.053 1117 H4 2VN 201 H191 DRG 176 2.727 2.293 5.100 1118 H5 2VN 201 H192 DRG 176 1.262 3.214 5.372 1119 H7 2VN 201 H182 DRG 176 3.666 3.736 6.558 1120 H6 2VN 201 H181 DRG 176 2.415 4.903 6.402 1121 H9 2VN 201 H172 DRG 176 4.777 5.623 5.606 1122 H8 2VN 201 H171 DRG 176 3.447 5.989 4.542 1123 H11 2VN 201 H162 DRG 176 5.228 3.529 4.248 1124 H10 2VN 201 H161 DRG 176 5.387 4.965 3.301 1125 H14 2VN 201 H122 DRG 176 0.732 -1.216 2.564 1126 H13 2VN 201 H121 DRG 176 -0.324 -1.122 1.188 1127 H16 2VN 201 H202 DRG 176 -1.412 0.800 1.165 1128 H15 2VN 201 H201 DRG 176 -0.727 2.355 1.478 1129 H12 2VN 201 HN2 DRG 176 0.600 3.106 2.189 Start of MODEL 10 1 H1 HIS -7 H1 HIS 1 -16.033 -9.610 13.384 2 H2 HIS -7 H2 HIS 1 -17.412 -10.446 13.290 3 H3 HIS -7 H3 HIS 1 -16.448 -10.451 11.966 4 HA HIS -7 HA HIS 1 -16.822 -7.888 12.163 5 HB2 HIS -7 HB2 HIS 1 -17.804 -9.591 10.319 6 HB3 HIS -7 HB3 HIS 1 -19.176 -9.823 11.359 7 HD1 HIS -7 HD1 HIS 1 -20.551 -9.118 9.221 8 HD2 HIS -7 HD2 HIS 1 -18.223 -5.992 10.837 9 HE1 HIS -7 HE1 HIS 1 -21.362 -6.929 8.246 10 H HIS -6 H HIS 2 -17.995 -6.331 13.241 11 HA HIS -6 HA HIS 2 -20.222 -6.912 14.914 12 HB2 HIS -6 HB2 HIS 2 -18.442 -7.922 16.379 13 HB3 HIS -6 HB3 HIS 2 -17.573 -6.415 16.376 14 HD1 HIS -6 HD1 HIS 2 -18.013 -5.030 18.433 15 HD2 HIS -6 HD2 HIS 2 -21.283 -7.555 17.567 16 HE1 HIS -6 HE1 HIS 2 -19.730 -4.774 20.273 17 H HIS -5 H HIS 3 -17.433 -4.694 14.354 18 HA HIS -5 HA HIS 3 -18.810 -2.288 15.042 19 HB2 HIS -5 HB2 HIS 3 -16.319 -2.871 13.362 20 HB3 HIS -5 HB3 HIS 3 -16.865 -1.255 13.710 21 HD1 HIS -5 HD1 HIS 3 -14.641 -3.775 15.030 22 HD2 HIS -5 HD2 HIS 3 -16.974 -0.689 16.713 23 HE1 HIS -5 HE1 HIS 3 -13.743 -3.263 17.339 24 H HIS -4 H HIS 4 -19.424 -0.555 13.657 25 HA HIS -4 HA HIS 4 -20.333 -1.295 10.921 26 HB2 HIS -4 HB2 HIS 4 -22.230 -1.597 12.444 27 HB3 HIS -4 HB3 HIS 4 -21.983 -0.030 13.158 28 HD1 HIS -4 HD1 HIS 4 -22.210 -0.976 9.420 29 HD2 HIS -4 HD2 HIS 4 -24.162 1.474 12.248 30 HE1 HIS -4 HE1 HIS 4 -23.982 0.372 8.222 31 H HIS -3 H HIS 5 -20.789 1.694 12.845 32 HA HIS -3 HA HIS 5 -18.708 3.198 11.559 33 HB2 HIS -3 HB2 HIS 5 -21.264 2.923 10.137 34 HB3 HIS -3 HB3 HIS 5 -21.160 4.549 10.709 35 HD1 HIS -3 HD1 HIS 5 -19.131 2.083 8.621 36 HD2 HIS -3 HD2 HIS 5 -19.528 6.248 9.159 37 HE1 HIS -3 HE1 HIS 5 -17.827 3.254 6.787 38 H HIS -2 H HIS 6 -18.776 5.506 12.220 39 HA HIS -2 HA HIS 6 -20.738 6.346 14.151 40 HB2 HIS -2 HB2 HIS 6 -19.168 4.885 15.557 41 HB3 HIS -2 HB3 HIS 6 -17.876 5.990 15.191 42 HD1 HIS -2 HD1 HIS 6 -17.505 7.144 17.411 43 HD2 HIS -2 HD2 HIS 6 -21.609 6.973 16.457 44 HE1 HIS -2 HE1 HIS 6 -18.788 8.452 19.158 45 H VAL -1 H VAL 7 -20.866 7.658 12.204 46 HA VAL -1 HA VAL 7 -20.834 9.582 11.173 47 HB VAL -1 HB VAL 7 -19.031 10.645 13.401 48 HG11 VAL -1 HG11 VAL 7 -19.805 12.920 12.699 49 HG12 VAL -1 HG12 VAL 7 -18.757 12.177 11.514 50 HG13 VAL -1 HG13 VAL 7 -20.497 12.217 11.243 51 HG21 VAL -1 HG21 VAL 7 -21.105 11.657 14.299 52 HG22 VAL -1 HG22 VAL 7 -22.050 10.852 13.050 53 HG23 VAL -1 HG23 VAL 7 -21.208 9.910 14.277 54 H ALA 0 H ALA 8 -17.457 9.555 12.380 55 HA ALA 0 HA ALA 8 -16.323 9.780 9.667 56 HB1 ALA 0 HB1 ALA 8 -14.202 10.089 10.955 57 HB2 ALA 0 HB2 ALA 8 -15.436 11.187 11.546 58 HB3 ALA 0 HB3 ALA 8 -15.045 9.736 12.461 59 H MET 1 H MET 9 -14.196 8.369 9.555 60 HA MET 1 HA MET 9 -14.854 5.510 10.130 61 HB2 MET 1 HB2 MET 9 -13.736 6.985 7.746 62 HB3 MET 1 HB3 MET 9 -13.042 5.440 8.085 63 HG2 MET 1 HG2 MET 9 -15.879 5.047 8.263 64 HG3 MET 1 HG3 MET 9 -15.622 6.042 6.869 65 HE1 MET 1 HE1 MET 9 -13.766 1.859 7.617 66 HE2 MET 1 HE2 MET 9 -13.597 3.235 8.693 67 HE3 MET 1 HE3 MET 9 -15.174 2.460 8.513 68 H SER 2 H SER 10 -13.174 4.104 10.503 69 HA SER 2 HA SER 10 -10.835 5.245 11.945 70 HB2 SER 2 HB2 SER 10 -11.106 3.281 13.448 71 HB3 SER 2 HB3 SER 10 -12.499 4.340 13.486 72 HG SER 2 HG SER 10 -12.280 1.937 11.992 73 H PHE 3 H PHE 11 -9.119 5.016 10.680 74 HA PHE 3 HA PHE 11 -8.672 2.989 8.716 75 HB2 PHE 3 HB2 PHE 11 -7.001 5.099 10.101 76 HB3 PHE 3 HB3 PHE 11 -6.206 3.944 9.115 77 HD1 PHE 3 HD1 PHE 11 -8.646 6.741 9.071 78 HD2 PHE 3 HD2 PHE 11 -6.431 3.920 6.665 79 HE1 PHE 3 HE1 PHE 11 -9.133 8.047 7.048 80 HE2 PHE 3 HE2 PHE 11 -6.923 5.271 4.665 81 HZ PHE 3 HZ PHE 11 -8.216 7.350 4.867 82 H SER 4 H SER 12 -8.047 3.077 12.161 83 HA SER 4 HA SER 12 -6.033 1.241 12.483 84 HB2 SER 4 HB2 SER 12 -6.835 1.113 14.803 85 HB3 SER 4 HB3 SER 12 -6.830 2.760 14.216 86 HG SER 4 HG SER 12 -8.741 2.189 15.358 87 H GLY 5 H GLY 13 -5.787 -0.850 12.108 88 HA2 GLY 5 HA2 GLY 13 -7.212 -3.033 12.835 89 HA3 GLY 5 HA3 GLY 13 -8.033 -2.572 11.337 90 H LYS 6 H LYS 14 -6.747 -4.982 11.442 91 HA LYS 6 HA LYS 14 -4.269 -4.636 9.827 92 HB2 LYS 6 HB2 LYS 14 -4.618 -6.069 12.159 93 HB3 LYS 6 HB3 LYS 14 -5.026 -7.316 11.039 94 HG2 LYS 6 HG2 LYS 14 -2.544 -5.776 10.355 95 HG3 LYS 6 HG3 LYS 14 -2.476 -6.459 11.932 96 HD2 LYS 6 HD2 LYS 14 -3.134 -8.087 9.448 97 HD3 LYS 6 HD3 LYS 14 -1.498 -7.755 9.927 98 HE2 LYS 6 HE2 LYS 14 -3.520 -9.216 11.708 99 HE3 LYS 6 HE3 LYS 14 -2.300 -10.002 10.723 100 HZ1 LYS 6 HZ1 LYS 14 -1.572 -9.740 12.961 101 HZ2 LYS 6 HZ2 LYS 14 -0.610 -8.861 11.951 102 HZ3 LYS 6 HZ3 LYS 14 -1.736 -8.101 12.881 103 H TYR 7 H TYR 15 -4.094 -5.733 7.842 104 HA TYR 7 HA TYR 15 -6.587 -6.856 6.691 105 HB2 TYR 7 HB2 TYR 15 -4.926 -4.642 5.384 106 HB3 TYR 7 HB3 TYR 15 -6.372 -5.365 4.741 107 HD1 TYR 7 HD1 TYR 15 -8.584 -4.552 5.394 108 HD2 TYR 7 HD2 TYR 15 -5.033 -3.094 7.357 109 HE1 TYR 7 HE1 TYR 15 -9.917 -2.765 6.479 110 HE2 TYR 7 HE2 TYR 15 -6.378 -1.323 8.451 111 HH TYR 7 HH TYR 15 -8.429 -0.371 8.716 112 H GLN 8 H GLN 16 -6.255 -8.088 4.721 113 HA GLN 8 HA GLN 16 -3.447 -9.018 4.273 114 HB2 GLN 8 HB2 GLN 16 -4.208 -11.288 4.253 115 HB3 GLN 8 HB3 GLN 16 -4.740 -10.565 5.729 116 HG2 GLN 8 HG2 GLN 16 -6.987 -10.152 4.110 117 HG3 GLN 8 HG3 GLN 16 -6.335 -11.608 3.411 118 HE21 GLN 8 HE21 GLN 16 -8.696 -10.674 5.359 119 HE22 GLN 8 HE22 GLN 16 -8.716 -11.966 6.529 120 H LEU 9 H LEU 17 -2.920 -9.573 2.165 121 HA LEU 9 HA LEU 17 -4.173 -8.105 0.124 122 HB2 LEU 9 HB2 LEU 17 -1.722 -9.259 0.513 123 HB3 LEU 9 HB3 LEU 17 -2.392 -10.442 -0.545 124 HG LEU 9 HG LEU 17 -1.951 -7.480 -1.061 125 HD11 LEU 9 HD11 LEU 17 0.041 -8.160 -1.859 126 HD12 LEU 9 HD12 LEU 17 -0.337 -9.844 -1.559 127 HD13 LEU 9 HD13 LEU 17 -0.749 -9.110 -3.095 128 HD21 LEU 9 HD21 LEU 17 -2.722 -7.941 -3.448 129 HD22 LEU 9 HD22 LEU 17 -3.502 -9.397 -2.840 130 HD23 LEU 9 HD23 LEU 17 -3.967 -7.795 -2.253 131 H GLN 10 H GLN 18 -5.775 -8.553 -1.299 132 HA GLN 10 HA GLN 18 -6.966 -11.294 -1.399 133 HB2 GLN 10 HB2 GLN 18 -8.222 -8.549 -1.888 134 HB3 GLN 10 HB3 GLN 18 -9.042 -10.063 -2.091 135 HG2 GLN 10 HG2 GLN 18 -7.923 -9.038 0.567 136 HG3 GLN 10 HG3 GLN 18 -9.574 -8.892 0.036 137 HE21 GLN 10 HE21 GLN 18 -7.278 -10.942 1.600 138 HE22 GLN 10 HE22 GLN 18 -8.317 -12.328 1.802 139 H SER 11 H SER 19 -6.469 -8.323 -3.414 140 HA SER 11 HA SER 19 -6.065 -10.015 -5.804 141 HB2 SER 11 HB2 SER 19 -8.518 -8.459 -5.150 142 HB3 SER 11 HB3 SER 19 -7.812 -7.948 -6.663 143 HG SER 11 HG SER 19 -9.203 -9.666 -6.972 144 H GLN 12 H GLN 20 -5.304 -8.942 -7.653 145 HA GLN 12 HA GLN 20 -3.533 -6.608 -7.150 146 HB2 GLN 12 HB2 GLN 20 -2.635 -9.345 -8.234 147 HB3 GLN 12 HB3 GLN 20 -1.633 -7.954 -7.932 148 HG2 GLN 12 HG2 GLN 20 -2.039 -8.224 -5.468 149 HG3 GLN 12 HG3 GLN 20 -3.069 -9.595 -5.763 150 HE21 GLN 12 HE21 GLN 20 -0.049 -9.221 -7.658 151 HE22 GLN 12 HE22 GLN 20 0.803 -10.489 -6.813 152 H GLU 13 H GLU 21 -3.798 -5.243 -8.930 153 HA GLU 13 HA GLU 21 -3.986 -6.503 -11.623 154 HB2 GLU 13 HB2 GLU 21 -5.500 -3.965 -10.895 155 HB3 GLU 13 HB3 GLU 21 -5.407 -4.715 -12.442 156 HG2 GLU 13 HG2 GLU 21 -7.498 -5.408 -11.782 157 HG3 GLU 13 HG3 GLU 21 -6.552 -6.804 -11.337 158 H ASN 14 H ASN 22 -2.766 -5.575 -13.177 159 HA ASN 14 HA ASN 22 -0.955 -4.785 -14.012 160 HB2 ASN 14 HB2 ASN 22 -1.921 -2.262 -12.596 161 HB3 ASN 14 HB3 ASN 22 -0.437 -2.193 -13.494 162 HD21 ASN 14 HD21 ASN 22 -3.300 -1.081 -13.925 163 HD22 ASN 14 HD22 ASN 22 -3.521 -1.364 -15.635 164 H PHE 15 H PHE 23 -0.626 -6.314 -11.620 165 HA PHE 15 HA PHE 23 1.486 -5.264 -10.013 166 HB2 PHE 15 HB2 PHE 23 0.156 -6.953 -9.076 167 HB3 PHE 15 HB3 PHE 23 0.389 -8.056 -10.403 168 HD1 PHE 15 HD1 PHE 23 2.405 -9.463 -10.531 169 HD2 PHE 15 HD2 PHE 23 2.102 -6.404 -7.508 170 HE1 PHE 15 HE1 PHE 23 4.421 -10.306 -9.442 171 HE2 PHE 15 HE2 PHE 23 4.083 -7.345 -6.385 172 HZ PHE 15 HZ PHE 23 5.256 -9.276 -7.363 173 H GLU 16 H GLU 24 1.685 -7.813 -12.630 174 HA GLU 16 HA GLU 24 4.508 -7.615 -12.825 175 HB2 GLU 16 HB2 GLU 24 2.491 -8.620 -14.870 176 HB3 GLU 16 HB3 GLU 24 4.210 -8.737 -15.057 177 HG2 GLU 16 HG2 GLU 24 3.959 -9.921 -12.586 178 HG3 GLU 16 HG3 GLU 24 2.362 -10.238 -13.183 179 H ALA 17 H ALA 25 1.958 -5.710 -14.451 180 HA ALA 17 HA ALA 25 3.562 -4.476 -16.416 181 HB1 ALA 17 HB1 ALA 25 1.755 -2.753 -16.445 182 HB2 ALA 17 HB2 ALA 25 1.091 -4.381 -16.429 183 HB3 ALA 17 HB3 ALA 25 1.091 -3.417 -14.957 184 H PHE 18 H PHE 26 2.726 -3.307 -13.091 185 HA PHE 18 HA PHE 26 4.380 -0.995 -13.200 186 HB2 PHE 18 HB2 PHE 26 2.438 -1.171 -11.788 187 HB3 PHE 18 HB3 PHE 26 3.089 -2.526 -10.907 188 HD1 PHE 18 HD1 PHE 26 5.034 -2.190 -9.291 189 HD2 PHE 18 HD2 PHE 26 3.084 1.131 -11.242 190 HE1 PHE 18 HE1 PHE 26 6.059 -0.629 -7.694 191 HE2 PHE 18 HE2 PHE 26 4.092 2.655 -9.588 192 HZ PHE 18 HZ PHE 26 5.581 1.785 -7.835 193 H MET 19 H MET 27 4.893 -4.223 -11.692 194 HA MET 19 HA MET 27 7.310 -3.554 -10.408 195 HB2 MET 19 HB2 MET 27 6.193 -6.286 -11.131 196 HB3 MET 19 HB3 MET 27 7.506 -5.974 -10.024 197 HG2 MET 19 HG2 MET 27 4.904 -4.566 -9.433 198 HG3 MET 19 HG3 MET 27 4.963 -6.287 -9.209 199 HE1 MET 19 HE1 MET 27 5.196 -4.190 -5.707 200 HE2 MET 19 HE2 MET 27 4.721 -3.392 -7.209 201 HE3 MET 19 HE3 MET 27 4.035 -4.964 -6.792 202 H LYS 20 H LYS 28 6.727 -5.020 -13.648 203 HA LYS 20 HA LYS 28 9.574 -5.364 -14.177 204 HB2 LYS 20 HB2 LYS 28 7.162 -5.493 -16.032 205 HB3 LYS 20 HB3 LYS 28 8.775 -5.921 -16.492 206 HG2 LYS 20 HG2 LYS 28 7.272 -7.351 -14.247 207 HG3 LYS 20 HG3 LYS 28 7.199 -7.855 -15.898 208 HD2 LYS 20 HD2 LYS 28 9.858 -7.612 -14.415 209 HD3 LYS 20 HD3 LYS 28 8.868 -9.025 -14.264 210 HE2 LYS 20 HE2 LYS 28 9.949 -7.989 -16.945 211 HE3 LYS 20 HE3 LYS 28 10.710 -9.229 -15.968 212 HZ1 LYS 20 HZ1 LYS 28 9.385 -10.210 -17.633 213 HZ2 LYS 20 HZ2 LYS 28 8.764 -10.567 -16.161 214 HZ3 LYS 20 HZ3 LYS 28 8.021 -9.436 -17.107 215 H ALA 21 H ALA 29 7.220 -2.729 -14.562 216 HA ALA 21 HA ALA 29 8.779 -1.253 -16.494 217 HB1 ALA 21 HB1 ALA 29 7.177 0.605 -15.928 218 HB2 ALA 21 HB2 ALA 29 6.401 -0.888 -16.417 219 HB3 ALA 21 HB3 ALA 29 6.441 -0.432 -14.712 220 H ILE 22 H ILE 30 8.584 -1.222 -12.896 221 HA ILE 22 HA ILE 30 10.560 0.921 -12.690 222 HB ILE 22 HB ILE 30 10.597 0.437 -10.304 223 HG12 ILE 22 HG12 ILE 30 8.427 -1.637 -10.654 224 HG13 ILE 22 HG13 ILE 30 10.091 -2.076 -10.489 225 HG21 ILE 22 HG21 ILE 30 8.354 1.291 -9.793 226 HG22 ILE 22 HG22 ILE 30 8.951 2.008 -11.274 227 HG23 ILE 22 HG23 ILE 30 7.749 0.721 -11.341 228 HD11 ILE 22 HD11 ILE 30 8.435 -1.871 -8.353 229 HD12 ILE 22 HD12 ILE 30 10.166 -1.572 -8.223 230 HD13 ILE 22 HD13 ILE 30 9.050 -0.231 -8.340 231 H GLY 23 H GLY 31 10.758 -2.381 -13.472 232 HA2 GLY 23 HA2 GLY 31 12.625 -3.399 -14.284 233 HA3 GLY 23 HA3 GLY 31 13.643 -2.129 -13.647 234 H LEU 24 H LEU 32 11.365 -4.044 -11.578 235 HA LEU 24 HA LEU 32 13.454 -4.954 -9.856 236 HB2 LEU 24 HB2 LEU 32 10.538 -5.778 -10.241 237 HB3 LEU 24 HB3 LEU 32 11.512 -6.524 -9.020 238 HG LEU 24 HG LEU 32 10.992 -3.556 -9.158 239 HD11 LEU 24 HD11 LEU 32 9.543 -4.409 -6.968 240 HD12 LEU 24 HD12 LEU 32 8.886 -4.163 -8.574 241 HD13 LEU 24 HD13 LEU 32 9.340 -5.776 -8.057 242 HD21 LEU 24 HD21 LEU 32 12.298 -3.230 -7.358 243 HD22 LEU 24 HD22 LEU 32 11.728 -4.678 -6.529 244 HD23 LEU 24 HD23 LEU 32 13.018 -4.789 -7.692 245 HA PRO 25 HA PRO 33 14.706 -8.760 -11.893 246 HB2 PRO 25 HB2 PRO 33 15.286 -10.390 -9.744 247 HB3 PRO 25 HB3 PRO 33 16.270 -9.003 -10.188 248 HG2 PRO 25 HG2 PRO 33 14.071 -9.101 -8.114 249 HG3 PRO 25 HG3 PRO 33 15.717 -8.519 -7.871 250 HD2 PRO 25 HD2 PRO 33 13.717 -6.794 -8.399 251 HD3 PRO 25 HD3 PRO 33 15.275 -6.536 -9.191 252 H GLU 26 H GLU 34 13.694 -10.564 -12.705 253 HA GLU 26 HA GLU 34 10.947 -10.841 -12.358 254 HB2 GLU 26 HB2 GLU 34 12.179 -11.276 -14.406 255 HB3 GLU 26 HB3 GLU 34 12.925 -12.689 -13.715 256 HG2 GLU 26 HG2 GLU 34 10.783 -13.887 -13.627 257 HG3 GLU 26 HG3 GLU 34 9.889 -12.429 -14.000 258 H GLU 27 H GLU 35 13.437 -12.384 -10.449 259 HA GLU 27 HA GLU 35 11.860 -14.432 -9.281 260 HB2 GLU 27 HB2 GLU 35 14.219 -14.514 -9.018 261 HB3 GLU 27 HB3 GLU 35 14.314 -12.900 -8.392 262 HG2 GLU 27 HG2 GLU 35 14.693 -14.591 -6.629 263 HG3 GLU 27 HG3 GLU 35 13.331 -13.582 -6.244 264 H LEU 28 H LEU 36 12.348 -10.981 -8.209 265 HA LEU 28 HA LEU 36 10.597 -11.150 -5.989 266 HB2 LEU 28 HB2 LEU 36 11.626 -8.813 -7.635 267 HB3 LEU 28 HB3 LEU 36 10.498 -8.555 -6.343 268 HG LEU 28 HG LEU 36 13.209 -9.853 -5.991 269 HD11 LEU 28 HD11 LEU 36 14.090 -7.787 -5.792 270 HD12 LEU 28 HD12 LEU 36 12.558 -7.087 -6.284 271 HD13 LEU 28 HD13 LEU 36 12.910 -7.303 -4.587 272 HD21 LEU 28 HD21 LEU 36 12.304 -9.055 -3.437 273 HD22 LEU 28 HD22 LEU 36 10.884 -9.765 -4.173 274 HD23 LEU 28 HD23 LEU 36 12.376 -10.688 -4.064 275 H ILE 29 H ILE 37 9.901 -10.621 -9.416 276 HA ILE 29 HA ILE 37 7.128 -9.889 -8.971 277 HB ILE 29 HB ILE 37 8.723 -10.669 -11.437 278 HG12 ILE 29 HG12 ILE 37 7.464 -8.202 -11.869 279 HG13 ILE 29 HG13 ILE 37 7.776 -8.147 -10.172 280 HG21 ILE 29 HG21 ILE 37 6.721 -10.140 -12.838 281 HG22 ILE 29 HG22 ILE 37 6.488 -11.600 -11.912 282 HG23 ILE 29 HG23 ILE 37 5.743 -10.095 -11.372 283 HD11 ILE 29 HD11 ILE 37 9.551 -7.200 -11.837 284 HD12 ILE 29 HD12 ILE 37 10.125 -8.161 -10.482 285 HD13 ILE 29 HD13 ILE 37 10.030 -8.861 -12.098 286 H GLN 30 H GLN 38 8.763 -12.947 -10.094 287 HA GLN 30 HA GLN 38 6.325 -14.390 -10.164 288 HB2 GLN 30 HB2 GLN 38 9.225 -15.308 -10.172 289 HB3 GLN 30 HB3 GLN 38 7.890 -16.401 -10.376 290 HG2 GLN 30 HG2 GLN 38 8.617 -14.108 -12.265 291 HG3 GLN 30 HG3 GLN 38 8.825 -15.807 -12.565 292 HE21 GLN 30 HE21 GLN 38 6.938 -13.210 -13.358 293 HE22 GLN 30 HE22 GLN 38 5.452 -14.021 -13.755 294 H LYS 31 H LYS 39 8.526 -13.881 -7.450 295 HA LYS 31 HA LYS 39 7.163 -15.846 -5.768 296 HB2 LYS 31 HB2 LYS 39 8.728 -15.288 -4.110 297 HB3 LYS 31 HB3 LYS 39 9.590 -15.338 -5.607 298 HG2 LYS 31 HG2 LYS 39 10.489 -13.354 -4.902 299 HG3 LYS 31 HG3 LYS 39 9.031 -12.677 -5.543 300 HD2 LYS 31 HD2 LYS 39 8.755 -11.703 -3.534 301 HD3 LYS 31 HD3 LYS 39 8.161 -13.241 -2.989 302 HE2 LYS 31 HE2 LYS 39 11.028 -12.231 -2.704 303 HE3 LYS 31 HE3 LYS 39 9.854 -12.421 -1.419 304 HZ1 LYS 31 HZ1 LYS 39 11.391 -14.234 -1.499 305 HZ2 LYS 31 HZ2 LYS 39 9.873 -14.782 -1.836 306 HZ3 LYS 31 HZ3 LYS 39 10.967 -14.592 -3.051 307 H GLY 32 H GLY 40 6.695 -12.492 -6.683 308 HA2 GLY 32 HA2 GLY 40 5.218 -11.737 -4.236 309 HA3 GLY 32 HA3 GLY 40 5.646 -10.731 -5.600 310 H LYS 33 H LYS 41 4.499 -13.079 -7.428 311 HA LYS 33 HA LYS 41 1.707 -12.130 -7.375 312 HB2 LYS 33 HB2 LYS 41 1.512 -13.121 -9.588 313 HB3 LYS 33 HB3 LYS 41 2.743 -11.927 -9.495 314 HG2 LYS 33 HG2 LYS 41 4.272 -13.305 -10.317 315 HG3 LYS 33 HG3 LYS 41 4.072 -14.438 -9.016 316 HD2 LYS 33 HD2 LYS 41 2.392 -14.371 -11.563 317 HD3 LYS 33 HD3 LYS 41 3.777 -15.395 -11.311 318 HE2 LYS 33 HE2 LYS 41 2.602 -16.497 -9.364 319 HE3 LYS 33 HE3 LYS 41 1.177 -15.520 -9.686 320 HZ1 LYS 33 HZ1 LYS 41 1.021 -17.653 -10.687 321 HZ2 LYS 33 HZ2 LYS 41 1.073 -16.497 -11.864 322 HZ3 LYS 33 HZ3 LYS 41 2.407 -17.415 -11.550 323 H ASP 34 H ASP 42 3.540 -15.167 -6.725 324 HA ASP 34 HA ASP 42 1.030 -16.679 -6.573 325 HB2 ASP 34 HB2 ASP 42 2.371 -18.605 -5.851 326 HB3 ASP 34 HB3 ASP 42 2.771 -17.999 -7.449 327 H ILE 35 H ILE 43 3.554 -15.446 -4.322 328 HA ILE 35 HA ILE 43 1.998 -16.288 -1.978 329 HB ILE 35 HB ILE 43 4.576 -14.664 -2.130 330 HG12 ILE 35 HG12 ILE 43 5.097 -16.768 -3.122 331 HG13 ILE 35 HG13 ILE 43 5.793 -16.728 -1.546 332 HG21 ILE 35 HG21 ILE 43 4.923 -15.426 0.242 333 HG22 ILE 35 HG22 ILE 43 3.629 -14.273 0.032 334 HG23 ILE 35 HG23 ILE 43 3.253 -15.979 0.264 335 HD11 ILE 35 HD11 ILE 43 4.872 -18.915 -1.707 336 HD12 ILE 35 HD12 ILE 43 3.623 -18.080 -0.794 337 HD13 ILE 35 HD13 ILE 43 3.416 -18.360 -2.521 338 H LYS 36 H LYS 44 0.532 -15.053 -1.014 339 HA LYS 36 HA LYS 44 0.374 -12.137 -1.439 340 HB2 LYS 36 HB2 LYS 44 -1.395 -14.201 -0.027 341 HB3 LYS 36 HB3 LYS 44 -1.541 -12.508 0.302 342 HG2 LYS 36 HG2 LYS 44 -3.163 -12.807 -1.254 343 HG3 LYS 36 HG3 LYS 44 -1.892 -12.030 -2.150 344 HD2 LYS 36 HD2 LYS 44 -1.244 -14.140 -3.216 345 HD3 LYS 36 HD3 LYS 44 -2.339 -15.052 -2.212 346 HE2 LYS 36 HE2 LYS 44 -3.170 -12.913 -4.252 347 HE3 LYS 36 HE3 LYS 44 -3.257 -14.645 -4.513 348 HZ1 LYS 36 HZ1 LYS 44 -5.353 -13.728 -3.853 349 HZ2 LYS 36 HZ2 LYS 44 -4.820 -14.803 -2.720 350 HZ3 LYS 36 HZ3 LYS 44 -4.724 -13.181 -2.436 351 H GLY 37 H GLY 45 0.714 -10.659 0.177 352 HA2 GLY 37 HA2 GLY 45 2.150 -11.532 2.665 353 HA3 GLY 37 HA3 GLY 45 2.202 -9.962 1.902 354 H VAL 38 H VAL 46 1.660 -9.444 4.207 355 HA VAL 38 HA VAL 46 -1.257 -9.093 4.636 356 HB VAL 38 HB VAL 46 0.860 -9.854 6.719 357 HG11 VAL 38 HG11 VAL 46 -1.033 -9.945 8.370 358 HG12 VAL 38 HG12 VAL 46 -0.649 -8.324 7.846 359 HG13 VAL 38 HG13 VAL 46 -2.057 -9.155 7.181 360 HG21 VAL 38 HG21 VAL 46 -0.532 -11.886 7.119 361 HG22 VAL 38 HG22 VAL 46 -1.535 -11.451 5.740 362 HG23 VAL 38 HG23 VAL 46 0.164 -11.859 5.515 363 H SER 39 H SER 47 -1.713 -7.132 5.933 364 HA SER 39 HA SER 47 0.452 -5.124 6.067 365 HB2 SER 39 HB2 SER 47 -0.793 -4.927 3.852 366 HB3 SER 39 HB3 SER 47 -2.277 -4.676 4.736 367 HG SER 39 HG SER 47 0.051 -3.052 4.779 368 H GLU 40 H GLU 48 -0.154 -3.264 7.465 369 HA GLU 40 HA GLU 48 -2.526 -3.602 9.143 370 HB2 GLU 40 HB2 GLU 48 -0.458 -4.795 10.251 371 HB3 GLU 40 HB3 GLU 48 0.173 -3.177 10.446 372 HG2 GLU 40 HG2 GLU 48 -1.539 -2.455 11.916 373 HG3 GLU 40 HG3 GLU 48 -2.530 -3.851 11.613 374 H ILE 41 H ILE 49 -3.252 -1.737 10.065 375 HA ILE 41 HA ILE 49 -1.962 0.825 9.252 376 HB ILE 41 HB ILE 49 -4.950 0.159 9.176 377 HG12 ILE 41 HG12 ILE 49 -2.966 0.305 6.903 378 HG13 ILE 41 HG13 ILE 49 -3.895 -1.087 7.335 379 HG21 ILE 41 HG21 ILE 49 -5.181 2.345 8.059 380 HG22 ILE 41 HG22 ILE 49 -4.369 2.587 9.596 381 HG23 ILE 41 HG23 ILE 49 -3.443 2.553 8.093 382 HD11 ILE 41 HD11 ILE 49 -5.145 -0.360 5.522 383 HD12 ILE 41 HD12 ILE 49 -5.990 0.536 6.777 384 HD13 ILE 41 HD13 ILE 49 -4.771 1.338 5.787 385 H VAL 42 H VAL 50 -1.711 2.099 11.023 386 HA VAL 42 HA VAL 50 -3.467 1.736 13.408 387 HB VAL 42 HB VAL 50 -0.420 1.776 13.388 388 HG11 VAL 42 HG11 VAL 50 -0.582 1.521 15.898 389 HG12 VAL 42 HG12 VAL 50 -1.123 3.090 15.358 390 HG13 VAL 42 HG13 VAL 50 -2.305 1.859 15.790 391 HG21 VAL 42 HG21 VAL 50 -0.583 -0.433 14.544 392 HG22 VAL 42 HG22 VAL 50 -2.311 -0.447 14.201 393 HG23 VAL 42 HG23 VAL 50 -1.136 -0.448 12.887 394 H GLN 43 H GLN 51 -4.552 3.618 12.904 395 HA GLN 43 HA GLN 51 -3.150 6.180 12.655 396 HB2 GLN 43 HB2 GLN 51 -5.265 5.698 11.461 397 HB3 GLN 43 HB3 GLN 51 -6.086 5.422 12.975 398 HG2 GLN 43 HG2 GLN 51 -5.556 7.870 13.602 399 HG3 GLN 43 HG3 GLN 51 -4.904 8.078 11.994 400 HE21 GLN 43 HE21 GLN 51 -6.815 9.792 12.664 401 HE22 GLN 43 HE22 GLN 51 -8.361 9.388 11.963 402 H ASN 44 H ASN 52 -2.830 7.644 14.326 403 HA ASN 44 HA ASN 52 -4.102 7.280 16.917 404 HB2 ASN 44 HB2 ASN 52 -2.031 7.145 18.210 405 HB3 ASN 44 HB3 ASN 52 -2.266 5.740 17.221 406 HD21 ASN 44 HD21 ASN 52 -0.967 5.647 15.077 407 HD22 ASN 44 HD22 ASN 52 0.648 6.301 15.158 408 H GLY 45 H GLY 53 -5.121 9.128 16.018 409 HA2 GLY 45 HA2 GLY 53 -5.532 11.376 16.081 410 HA3 GLY 45 HA3 GLY 53 -4.034 11.626 16.967 411 H LYS 46 H LYS 54 -2.697 12.973 15.851 412 HA LYS 46 HA LYS 54 -2.762 13.325 13.000 413 HB2 LYS 46 HB2 LYS 54 -1.329 14.534 15.348 414 HB3 LYS 46 HB3 LYS 54 -0.475 14.629 13.848 415 HG2 LYS 46 HG2 LYS 54 -3.327 15.610 14.155 416 HG3 LYS 46 HG3 LYS 54 -1.915 16.615 14.290 417 HD2 LYS 46 HD2 LYS 54 -1.792 16.881 12.047 418 HD3 LYS 46 HD3 LYS 54 -1.606 15.176 11.816 419 HE2 LYS 46 HE2 LYS 54 -3.496 15.886 10.497 420 HE3 LYS 46 HE3 LYS 54 -4.126 14.904 11.804 421 HZ1 LYS 46 HZ1 LYS 54 -5.385 16.893 11.496 422 HZ2 LYS 46 HZ2 LYS 54 -4.653 16.940 12.973 423 HZ3 LYS 46 HZ3 LYS 54 -4.056 17.841 11.729 424 H HIS 47 H HIS 55 -0.762 11.325 15.165 425 HA HIS 47 HA HIS 55 1.109 10.650 13.030 426 HB2 HIS 47 HB2 HIS 55 0.900 10.138 15.945 427 HB3 HIS 47 HB3 HIS 55 1.356 8.709 15.070 428 HD1 HIS 47 HD1 HIS 55 3.277 9.611 12.931 429 HD2 HIS 47 HD2 HIS 55 3.341 11.207 16.840 430 HE1 HIS 47 HE1 HIS 55 5.577 10.540 13.372 431 H PHE 48 H PHE 56 1.440 8.527 12.226 432 HA PHE 48 HA PHE 56 -0.822 6.677 12.150 433 HB2 PHE 48 HB2 PHE 56 -1.135 8.746 10.504 434 HB3 PHE 48 HB3 PHE 56 0.158 8.049 9.604 435 HD1 PHE 48 HD1 PHE 56 -0.228 5.376 9.015 436 HD2 PHE 48 HD2 PHE 56 -3.333 8.227 9.973 437 HE1 PHE 48 HE1 PHE 56 -1.865 4.019 7.826 438 HE2 PHE 48 HE2 PHE 56 -4.953 6.834 8.757 439 HZ PHE 48 HZ PHE 56 -4.225 4.753 7.666 440 H LYS 49 H LYS 57 0.038 4.696 12.027 441 HA LYS 49 HA LYS 57 2.795 4.255 10.971 442 HB2 LYS 49 HB2 LYS 57 1.252 3.084 13.311 443 HB3 LYS 49 HB3 LYS 57 2.569 2.196 12.575 444 HG2 LYS 49 HG2 LYS 57 4.177 3.873 13.130 445 HG3 LYS 49 HG3 LYS 57 2.955 5.033 13.561 446 HD2 LYS 49 HD2 LYS 57 4.046 4.156 15.549 447 HD3 LYS 49 HD3 LYS 57 2.350 3.799 15.571 448 HE2 LYS 49 HE2 LYS 57 4.415 1.731 14.636 449 HE3 LYS 49 HE3 LYS 57 4.005 1.945 16.326 450 HZ1 LYS 49 HZ1 LYS 57 2.711 0.233 15.367 451 HZ2 LYS 49 HZ2 LYS 57 1.739 1.475 15.845 452 HZ3 LYS 49 HZ3 LYS 57 2.074 1.259 14.245 453 H PHE 50 H PHE 58 3.149 2.381 9.765 454 HA PHE 50 HA PHE 58 0.836 0.806 8.851 455 HB2 PHE 50 HB2 PHE 58 1.126 2.947 7.440 456 HB3 PHE 50 HB3 PHE 58 2.672 2.343 6.937 457 HD1 PHE 50 HD1 PHE 58 2.805 0.517 5.256 458 HD2 PHE 50 HD2 PHE 58 -1.001 1.825 6.804 459 HE1 PHE 50 HE1 PHE 58 1.623 -0.660 3.428 460 HE2 PHE 50 HE2 PHE 58 -2.132 0.635 4.950 461 HZ PHE 50 HZ PHE 58 -0.826 -0.598 3.293 462 H THR 51 H THR 59 1.460 -1.272 8.970 463 HA THR 51 HA THR 59 4.349 -2.021 8.787 464 HB THR 51 HB THR 59 1.993 -3.731 9.699 465 HG1 THR 51 HG1 THR 59 2.702 -3.307 11.783 466 HG21 THR 51 HG21 THR 59 3.679 -5.172 10.772 467 HG22 THR 51 HG22 THR 59 3.867 -5.143 9.029 468 HG23 THR 51 HG23 THR 59 4.966 -4.221 10.043 469 H ILE 52 H ILE 60 5.012 -3.062 6.971 470 HA ILE 52 HA ILE 60 3.012 -4.316 5.122 471 HB ILE 52 HB ILE 60 5.774 -3.111 4.598 472 HG12 ILE 52 HG12 ILE 60 3.106 -2.320 3.396 473 HG13 ILE 52 HG13 ILE 60 3.776 -1.528 4.794 474 HG21 ILE 52 HG21 ILE 60 5.385 -3.702 2.169 475 HG22 ILE 52 HG22 ILE 60 5.578 -5.123 3.159 476 HG23 ILE 52 HG23 ILE 60 3.966 -4.617 2.664 477 HD11 ILE 52 HD11 ILE 60 4.473 -0.103 3.074 478 HD12 ILE 52 HD12 ILE 60 5.909 -1.096 3.293 479 HD13 ILE 52 HD13 ILE 60 4.807 -1.412 1.954 480 H THR 53 H THR 61 3.068 -6.492 5.289 481 HA THR 53 HA THR 61 5.618 -7.862 6.038 482 HB THR 53 HB THR 61 2.727 -8.712 6.462 483 HG1 THR 53 HG1 THR 61 3.451 -8.683 8.648 484 HG21 THR 53 HG21 THR 61 3.709 -10.681 7.707 485 HG22 THR 53 HG22 THR 61 4.000 -10.776 5.984 486 HG23 THR 53 HG23 THR 61 5.296 -10.266 7.061 487 H ALA 54 H ALA 62 6.522 -8.318 4.107 488 HA ALA 54 HA ALA 62 5.078 -9.157 1.727 489 HB1 ALA 54 HB1 ALA 62 7.367 -9.290 0.785 490 HB2 ALA 54 HB2 ALA 62 7.194 -7.798 1.685 491 HB3 ALA 54 HB3 ALA 62 8.072 -9.147 2.397 492 H GLY 55 H GLY 63 6.806 -11.229 0.831 493 HA2 GLY 55 HA2 GLY 63 5.449 -13.530 1.736 494 HA3 GLY 55 HA3 GLY 63 6.886 -13.504 0.735 495 H SER 56 H SER 64 8.505 -12.088 2.921 496 HA SER 56 HA SER 64 8.486 -13.685 5.277 497 HB2 SER 56 HB2 SER 64 10.568 -14.932 5.004 498 HB3 SER 56 HB3 SER 64 9.490 -15.401 3.724 499 HG SER 56 HG SER 64 11.616 -14.972 3.012 500 H LYS 57 H LYS 65 8.513 -10.824 4.440 501 HA LYS 57 HA LYS 65 10.766 -9.912 6.117 502 HB2 LYS 57 HB2 LYS 65 10.487 -9.537 3.188 503 HB3 LYS 57 HB3 LYS 65 10.461 -8.007 3.966 504 HG2 LYS 57 HG2 LYS 65 12.651 -10.098 4.287 505 HG3 LYS 57 HG3 LYS 65 12.735 -8.691 3.270 506 HD2 LYS 57 HD2 LYS 65 12.623 -8.687 6.328 507 HD3 LYS 57 HD3 LYS 65 14.010 -8.365 5.338 508 HE2 LYS 57 HE2 LYS 65 12.899 -6.303 4.416 509 HE3 LYS 57 HE3 LYS 65 11.502 -6.606 5.436 510 HZ1 LYS 57 HZ1 LYS 65 12.982 -5.059 6.422 511 HZ2 LYS 57 HZ2 LYS 65 12.888 -6.414 7.350 512 HZ3 LYS 57 HZ3 LYS 65 14.222 -6.145 6.414 513 H VAL 58 H VAL 66 10.311 -8.103 7.365 514 HA VAL 58 HA VAL 66 7.586 -6.917 7.067 515 HB VAL 58 HB VAL 66 9.087 -7.257 9.692 516 HG11 VAL 58 HG11 VAL 66 6.919 -6.651 10.725 517 HG12 VAL 58 HG12 VAL 66 7.411 -5.367 9.638 518 HG13 VAL 58 HG13 VAL 66 6.175 -6.504 9.138 519 HG21 VAL 58 HG21 VAL 66 7.395 -9.021 10.261 520 HG22 VAL 58 HG22 VAL 66 6.833 -9.000 8.593 521 HG23 VAL 58 HG23 VAL 66 8.470 -9.527 8.974 522 H ILE 59 H ILE 67 7.577 -4.778 6.769 523 HA ILE 59 HA ILE 67 9.913 -3.081 7.527 524 HB ILE 59 HB ILE 67 8.270 -2.950 4.946 525 HG12 ILE 59 HG12 ILE 67 11.231 -3.568 5.266 526 HG13 ILE 59 HG13 ILE 67 10.007 -4.762 4.936 527 HG21 ILE 59 HG21 ILE 67 9.750 -1.050 4.270 528 HG22 ILE 59 HG22 ILE 67 8.845 -0.642 5.699 529 HG23 ILE 59 HG23 ILE 67 10.538 -1.097 5.841 530 HD11 ILE 59 HD11 ILE 67 10.797 -4.376 2.793 531 HD12 ILE 59 HD12 ILE 67 9.439 -3.255 2.814 532 HD13 ILE 59 HD13 ILE 67 11.082 -2.664 3.065 533 H GLN 60 H GLN 68 9.242 -1.491 8.869 534 HA GLN 60 HA GLN 68 6.357 -0.694 8.910 535 HB2 GLN 60 HB2 GLN 68 8.421 -0.604 11.158 536 HB3 GLN 60 HB3 GLN 68 6.766 -0.096 11.264 537 HG2 GLN 60 HG2 GLN 68 6.091 -2.171 11.828 538 HG3 GLN 60 HG3 GLN 68 6.640 -2.804 10.306 539 HE21 GLN 60 HE21 GLN 68 8.777 -3.789 10.162 540 HE22 GLN 60 HE22 GLN 68 9.627 -4.273 11.606 541 H ASN 61 H ASN 69 5.890 1.426 8.698 542 HA ASN 61 HA ASN 69 8.044 3.453 8.813 543 HB2 ASN 61 HB2 ASN 69 5.969 3.110 6.565 544 HB3 ASN 61 HB3 ASN 69 6.845 4.592 6.851 545 HD21 ASN 61 HD21 ASN 69 7.039 1.505 5.325 546 HD22 ASN 61 HD22 ASN 69 8.681 1.652 4.764 547 H GLU 62 H GLU 70 7.368 5.411 9.628 548 HA GLU 62 HA GLU 70 4.535 5.741 10.449 549 HB2 GLU 62 HB2 GLU 70 5.919 5.105 12.417 550 HB3 GLU 62 HB3 GLU 70 7.035 6.391 12.070 551 HG2 GLU 62 HG2 GLU 70 5.335 8.113 12.545 552 HG3 GLU 62 HG3 GLU 70 4.078 6.908 12.675 553 H PHE 63 H PHE 71 3.719 7.785 10.258 554 HA PHE 63 HA PHE 71 5.410 10.009 9.506 555 HB2 PHE 63 HB2 PHE 71 4.231 10.503 7.412 556 HB3 PHE 63 HB3 PHE 71 4.929 8.917 7.293 557 HD1 PHE 63 HD1 PHE 71 3.413 6.872 7.498 558 HD2 PHE 63 HD2 PHE 71 1.821 10.882 7.372 559 HE1 PHE 63 HE1 PHE 71 1.172 5.990 7.059 560 HE2 PHE 63 HE2 PHE 71 -0.410 9.958 6.899 561 HZ PHE 63 HZ PHE 71 -0.737 7.535 6.714 562 H THR 64 H THR 72 4.221 12.056 9.492 563 HA THR 64 HA THR 72 1.796 12.020 11.244 564 HB THR 64 HB THR 72 3.807 14.268 10.747 565 HG1 THR 64 HG1 THR 72 4.401 13.875 12.871 566 HG21 THR 64 HG21 THR 72 2.663 15.354 12.728 567 HG22 THR 64 HG22 THR 72 1.578 15.214 11.357 568 HG23 THR 64 HG23 THR 72 1.454 14.078 12.700 569 H VAL 65 H VAL 73 -0.057 12.731 10.345 570 HA VAL 65 HA VAL 73 -0.277 13.237 7.558 571 HB VAL 65 HB VAL 73 -2.250 13.596 9.855 572 HG11 VAL 65 HG11 VAL 73 -4.073 13.516 8.128 573 HG12 VAL 65 HG12 VAL 73 -3.121 14.978 7.992 574 HG13 VAL 65 HG13 VAL 73 -2.858 13.647 6.868 575 HG21 VAL 65 HG21 VAL 73 -3.204 11.447 9.114 576 HG22 VAL 65 HG22 VAL 73 -2.007 11.326 7.832 577 HG23 VAL 65 HG23 VAL 73 -1.514 11.238 9.522 578 H GLY 66 H GLY 74 0.253 15.063 6.528 579 HA2 GLY 66 HA2 GLY 74 -0.182 17.343 6.020 580 HA3 GLY 66 HA3 GLY 74 -0.343 17.754 7.706 581 H GLU 67 H GLU 75 2.329 15.753 7.802 582 HA GLU 67 HA GLU 75 4.300 17.906 7.115 583 HB2 GLU 67 HB2 GLU 75 4.495 15.718 9.227 584 HB3 GLU 67 HB3 GLU 75 5.742 16.864 8.839 585 HG2 GLU 67 HG2 GLU 75 4.168 18.747 9.540 586 HG3 GLU 67 HG3 GLU 75 3.027 17.539 10.086 587 H GLU 68 H GLU 76 6.206 17.259 6.063 588 HA GLU 68 HA GLU 76 6.019 14.955 4.335 589 HB2 GLU 68 HB2 GLU 76 7.150 17.176 3.759 590 HB3 GLU 68 HB3 GLU 76 8.407 16.775 4.889 591 HG2 GLU 68 HG2 GLU 76 8.724 14.558 3.450 592 HG3 GLU 68 HG3 GLU 76 7.700 15.334 2.277 593 H CYS 69 H CYS 77 6.890 12.993 4.538 594 HA CYS 69 HA CYS 77 8.932 12.368 6.577 595 HB2 CYS 69 HB2 CYS 77 6.213 10.980 6.305 596 HB3 CYS 69 HB3 CYS 77 7.568 10.259 7.155 597 HG CYS 69 HG CYS 77 7.965 12.226 8.817 598 H GLU 70 H GLU 78 9.752 10.064 6.177 599 HA GLU 70 HA GLU 78 10.011 9.646 3.233 600 HB2 GLU 70 HB2 GLU 78 11.999 10.508 4.476 601 HB3 GLU 70 HB3 GLU 78 11.985 9.076 5.467 602 HG2 GLU 70 HG2 GLU 78 12.452 7.642 3.494 603 HG3 GLU 70 HG3 GLU 78 12.265 9.008 2.418 604 H LEU 71 H LEU 79 9.539 7.740 2.379 605 HA LEU 71 HA LEU 79 8.508 5.553 4.139 606 HB2 LEU 71 HB2 LEU 79 7.479 6.820 1.545 607 HB3 LEU 71 HB3 LEU 79 7.010 5.227 2.034 608 HG LEU 71 HG LEU 79 5.314 6.770 2.562 609 HD11 LEU 71 HD11 LEU 79 4.655 5.498 4.274 610 HD12 LEU 71 HD12 LEU 79 6.264 4.811 4.335 611 HD13 LEU 71 HD13 LEU 79 5.847 6.169 5.372 612 HD21 LEU 71 HD21 LEU 79 5.391 8.721 3.712 613 HD22 LEU 71 HD22 LEU 79 6.652 8.199 4.816 614 HD23 LEU 71 HD23 LEU 79 7.064 8.719 3.192 615 H GLU 72 H GLU 80 9.112 3.499 3.661 616 HA GLU 72 HA GLU 80 11.164 3.087 1.548 617 HB2 GLU 72 HB2 GLU 80 11.834 2.856 3.925 618 HB3 GLU 72 HB3 GLU 80 10.632 1.633 4.171 619 HG2 GLU 72 HG2 GLU 80 11.759 0.099 2.573 620 HG3 GLU 72 HG3 GLU 80 12.929 1.333 2.162 621 H THR 73 H THR 81 11.022 1.450 0.106 622 HA THR 73 HA THR 81 8.491 -0.077 -0.163 623 HB THR 73 HB THR 81 10.825 0.049 -2.125 624 HG1 THR 73 HG1 THR 81 9.729 1.791 -3.123 625 HG21 THR 73 HG21 THR 81 8.974 -0.088 -3.872 626 HG22 THR 73 HG22 THR 81 9.090 -1.532 -2.903 627 HG23 THR 73 HG23 THR 81 7.819 -0.354 -2.573 628 H MET 74 H MET 82 8.696 -2.318 -1.026 629 HA MET 74 HA MET 82 10.272 -4.103 0.481 630 HB2 MET 74 HB2 MET 82 8.744 -4.420 -2.141 631 HB3 MET 74 HB3 MET 82 9.453 -5.756 -1.280 632 HG2 MET 74 HG2 MET 82 8.058 -5.368 0.684 633 HG3 MET 74 HG3 MET 82 7.383 -3.911 0.008 634 HE1 MET 74 HE1 MET 82 4.794 -5.030 -2.550 635 HE2 MET 74 HE2 MET 82 5.300 -3.770 -1.418 636 HE3 MET 74 HE3 MET 82 6.354 -4.226 -2.768 637 H THR 75 H THR 83 11.098 -2.420 -2.529 638 HA THR 75 HA THR 83 13.416 -4.129 -3.065 639 HB THR 75 HB THR 83 12.097 -3.170 -4.906 640 HG1 THR 75 HG1 THR 83 13.918 -2.239 -6.033 641 HG21 THR 75 HG21 THR 83 12.307 -0.798 -5.580 642 HG22 THR 75 HG22 THR 83 11.459 -0.940 -4.058 643 HG23 THR 75 HG23 THR 83 13.145 -0.419 -4.084 644 H GLY 76 H GLY 84 12.791 -1.548 -0.912 645 HA2 GLY 76 HA2 GLY 84 14.245 -0.801 0.694 646 HA3 GLY 76 HA3 GLY 84 15.637 -1.345 -0.214 647 H GLU 77 H GLU 85 13.601 0.511 -2.302 648 HA GLU 77 HA GLU 85 15.306 2.844 -2.250 649 HB2 GLU 77 HB2 GLU 85 13.957 3.613 -4.076 650 HB3 GLU 77 HB3 GLU 85 14.240 1.915 -4.305 651 HG2 GLU 77 HG2 GLU 85 11.945 1.487 -3.275 652 HG3 GLU 77 HG3 GLU 85 11.644 3.212 -3.313 653 H LYS 78 H LYS 86 14.938 4.822 -1.285 654 HA LYS 78 HA LYS 86 12.551 5.102 0.493 655 HB2 LYS 78 HB2 LYS 86 15.358 6.156 1.050 656 HB3 LYS 78 HB3 LYS 86 13.958 6.233 2.084 657 HG2 LYS 78 HG2 LYS 86 14.005 3.589 1.973 658 HG3 LYS 78 HG3 LYS 86 15.601 3.794 1.318 659 HD2 LYS 78 HD2 LYS 86 16.194 3.604 3.521 660 HD3 LYS 78 HD3 LYS 86 15.979 5.335 3.476 661 HE2 LYS 78 HE2 LYS 86 13.607 5.048 4.336 662 HE3 LYS 78 HE3 LYS 86 13.890 3.312 4.405 663 HZ1 LYS 78 HZ1 LYS 86 14.210 4.299 6.502 664 HZ2 LYS 78 HZ2 LYS 86 15.629 3.665 5.955 665 HZ3 LYS 78 HZ3 LYS 86 15.388 5.300 5.922 666 H VAL 79 H VAL 87 11.442 6.958 0.339 667 HA VAL 79 HA VAL 87 12.426 9.214 -1.287 668 HB VAL 79 HB VAL 87 10.095 9.083 -2.471 669 HG11 VAL 79 HG11 VAL 87 10.977 7.831 -4.361 670 HG12 VAL 79 HG12 VAL 87 12.235 8.854 -3.681 671 HG13 VAL 79 HG13 VAL 87 12.238 7.120 -3.363 672 HG21 VAL 79 HG21 VAL 87 9.149 6.863 -2.889 673 HG22 VAL 79 HG22 VAL 87 10.336 6.097 -1.854 674 HG23 VAL 79 HG23 VAL 87 9.125 7.160 -1.157 675 H LYS 80 H LYS 88 11.729 11.125 -0.571 676 HA LYS 80 HA LYS 88 9.964 11.296 1.708 677 HB2 LYS 80 HB2 LYS 88 11.609 13.309 0.132 678 HB3 LYS 80 HB3 LYS 88 10.277 13.855 1.085 679 HG2 LYS 80 HG2 LYS 88 11.901 14.092 2.642 680 HG3 LYS 80 HG3 LYS 88 11.202 12.579 3.098 681 HD2 LYS 80 HD2 LYS 88 13.496 12.163 3.269 682 HD3 LYS 80 HD3 LYS 88 13.113 11.464 1.720 683 HE2 LYS 80 HE2 LYS 88 13.983 13.475 0.538 684 HE3 LYS 80 HE3 LYS 88 14.268 14.281 2.072 685 HZ1 LYS 80 HZ1 LYS 88 16.247 13.280 1.204 686 HZ2 LYS 80 HZ2 LYS 88 15.825 12.584 2.640 687 HZ3 LYS 80 HZ3 LYS 88 15.548 11.783 1.235 688 H THR 81 H THR 89 7.944 12.096 1.859 689 HA THR 81 HA THR 89 6.438 13.211 -0.320 690 HB THR 81 HB THR 89 6.320 10.852 -1.049 691 HG1 THR 81 HG1 THR 89 4.002 10.542 -0.696 692 HG21 THR 81 HG21 THR 89 5.176 9.108 0.391 693 HG22 THR 81 HG22 THR 89 6.749 9.574 1.023 694 HG23 THR 81 HG23 THR 89 5.267 10.179 1.762 695 H VAL 82 H VAL 90 4.309 13.867 0.375 696 HA VAL 82 HA VAL 90 3.874 13.912 3.342 697 HB VAL 82 HB VAL 90 2.626 15.753 1.245 698 HG11 VAL 82 HG11 VAL 90 2.136 17.177 3.266 699 HG12 VAL 82 HG12 VAL 90 1.308 15.631 3.308 700 HG13 VAL 82 HG13 VAL 90 2.738 15.891 4.297 701 HG21 VAL 82 HG21 VAL 90 4.137 17.552 1.936 702 HG22 VAL 82 HG22 VAL 90 5.019 16.458 2.982 703 HG23 VAL 82 HG23 VAL 90 5.065 16.243 1.235 704 H VAL 83 H VAL 91 2.049 12.882 4.056 705 HA VAL 83 HA VAL 91 0.075 11.832 2.063 706 HB VAL 83 HB VAL 91 0.679 10.825 4.867 707 HG11 VAL 83 HG11 VAL 91 -0.628 8.790 4.154 708 HG12 VAL 83 HG12 VAL 91 -1.608 10.240 4.171 709 HG13 VAL 83 HG13 VAL 91 -1.013 9.601 2.641 710 HG21 VAL 83 HG21 VAL 91 1.802 8.858 3.916 711 HG22 VAL 83 HG22 VAL 91 1.675 9.527 2.299 712 HG23 VAL 83 HG23 VAL 91 2.673 10.320 3.510 713 H GLN 84 H GLN 92 -1.954 12.597 2.220 714 HA GLN 84 HA GLN 92 -2.900 13.976 4.668 715 HB2 GLN 84 HB2 GLN 92 -2.525 15.122 1.892 716 HB3 GLN 84 HB3 GLN 92 -3.776 15.763 2.919 717 HG2 GLN 84 HG2 GLN 92 -2.227 16.502 4.616 718 HG3 GLN 84 HG3 GLN 92 -0.902 15.613 3.916 719 HE21 GLN 84 HE21 GLN 92 0.006 17.914 4.273 720 HE22 GLN 84 HE22 GLN 92 -0.079 18.958 2.880 721 H LEU 85 H LEU 93 -5.114 14.088 4.944 722 HA LEU 85 HA LEU 93 -6.604 11.951 3.742 723 HB2 LEU 85 HB2 LEU 93 -6.665 12.935 6.205 724 HB3 LEU 85 HB3 LEU 93 -7.728 14.115 5.530 725 HG LEU 85 HG LEU 93 -9.029 11.955 4.590 726 HD11 LEU 85 HD11 LEU 93 -8.792 10.241 6.714 727 HD12 LEU 85 HD12 LEU 93 -7.953 10.017 5.191 728 HD13 LEU 85 HD13 LEU 93 -7.126 10.751 6.562 729 HD21 LEU 85 HD21 LEU 93 -10.641 12.321 6.138 730 HD22 LEU 85 HD22 LEU 93 -9.545 12.273 7.512 731 HD23 LEU 85 HD23 LEU 93 -9.666 13.721 6.531 732 H GLU 86 H GLU 94 -8.251 12.028 2.236 733 HA GLU 86 HA GLU 94 -8.674 14.514 0.730 734 HB2 GLU 86 HB2 GLU 94 -8.241 12.017 -0.121 735 HB3 GLU 86 HB3 GLU 94 -9.958 11.855 0.114 736 HG2 GLU 86 HG2 GLU 94 -10.394 13.774 -1.440 737 HG3 GLU 86 HG3 GLU 94 -8.674 13.956 -1.686 738 H GLY 87 H GLY 95 -9.985 13.539 3.550 739 HA2 GLY 87 HA2 GLY 95 -11.856 14.167 4.695 740 HA3 GLY 87 HA3 GLY 95 -12.401 15.083 3.304 741 H ASP 88 H ASP 96 -11.710 11.694 2.711 742 HA ASP 88 HA ASP 96 -14.466 10.762 3.065 743 HB2 ASP 88 HB2 ASP 96 -14.485 12.006 0.873 744 HB3 ASP 88 HB3 ASP 96 -13.153 11.015 0.321 745 H ASN 89 H ASN 97 -12.415 9.944 4.571 746 HA ASN 89 HA ASN 97 -11.131 8.312 5.221 747 HB2 ASN 89 HB2 ASN 97 -12.307 5.852 4.488 748 HB3 ASN 89 HB3 ASN 97 -12.564 6.809 5.874 749 HD21 ASN 89 HD21 ASN 97 -14.052 5.548 3.050 750 HD22 ASN 89 HD22 ASN 97 -15.598 6.338 3.238 751 H LYS 90 H LYS 98 -10.058 9.430 2.963 752 HA LYS 90 HA LYS 98 -8.622 7.216 1.581 753 HB2 LYS 90 HB2 LYS 98 -9.971 9.770 0.617 754 HB3 LYS 90 HB3 LYS 98 -8.689 9.078 -0.331 755 HG2 LYS 90 HG2 LYS 98 -9.915 7.174 -0.924 756 HG3 LYS 90 HG3 LYS 98 -11.075 7.340 0.360 757 HD2 LYS 90 HD2 LYS 98 -12.155 9.189 -0.711 758 HD3 LYS 90 HD3 LYS 98 -10.798 9.529 -1.740 759 HE2 LYS 90 HE2 LYS 98 -11.235 7.427 -3.032 760 HE3 LYS 90 HE3 LYS 98 -12.594 7.079 -1.971 761 HZ1 LYS 90 HZ1 LYS 98 -13.305 8.153 -3.955 762 HZ2 LYS 90 HZ2 LYS 98 -13.605 9.118 -2.650 763 HZ3 LYS 90 HZ3 LYS 98 -12.342 9.464 -3.657 764 H LEU 91 H LEU 99 -6.417 7.557 1.282 765 HA LEU 91 HA LEU 99 -5.271 10.125 2.281 766 HB2 LEU 91 HB2 LEU 99 -4.190 7.295 2.611 767 HB3 LEU 91 HB3 LEU 99 -3.222 8.713 2.844 768 HG LEU 91 HG LEU 99 -5.732 8.116 4.442 769 HD11 LEU 91 HD11 LEU 99 -3.558 7.907 6.204 770 HD12 LEU 91 HD12 LEU 99 -4.458 6.565 5.517 771 HD13 LEU 91 HD13 LEU 99 -2.974 7.132 4.754 772 HD21 LEU 91 HD21 LEU 99 -5.180 9.904 5.893 773 HD22 LEU 91 HD22 LEU 99 -3.567 10.094 5.254 774 HD23 LEU 91 HD23 LEU 99 -4.947 10.607 4.311 775 H VAL 92 H VAL 100 -4.623 11.282 0.710 776 HA VAL 92 HA VAL 100 -3.637 10.133 -1.832 777 HB VAL 92 HB VAL 100 -4.396 12.962 -0.969 778 HG11 VAL 92 HG11 VAL 100 -4.192 13.579 -3.410 779 HG12 VAL 92 HG12 VAL 100 -2.646 13.250 -2.665 780 HG13 VAL 92 HG13 VAL 100 -3.395 12.039 -3.705 781 HG21 VAL 92 HG21 VAL 100 -6.298 12.708 -2.531 782 HG22 VAL 92 HG22 VAL 100 -5.797 11.062 -2.905 783 HG23 VAL 92 HG23 VAL 100 -6.353 11.470 -1.292 784 H THR 93 H THR 101 -1.541 10.320 -2.438 785 HA THR 93 HA THR 101 0.401 11.978 -1.075 786 HB THR 93 HB THR 101 0.630 10.385 0.532 787 HG1 THR 93 HG1 THR 101 2.347 8.941 0.028 788 HG21 THR 93 HG21 THR 101 0.537 7.867 0.246 789 HG22 THR 93 HG22 THR 101 -0.988 8.686 -0.001 790 HG23 THR 93 HG23 THR 101 -0.075 8.131 -1.381 791 H THR 94 H THR 102 2.400 12.145 -2.171 792 HA THR 94 HA THR 102 2.711 10.910 -4.814 793 HB THR 94 HB THR 102 3.119 13.312 -5.761 794 HG1 THR 94 HG1 THR 102 1.701 14.864 -4.724 795 HG21 THR 94 HG21 THR 102 0.742 13.761 -6.336 796 HG22 THR 94 HG22 THR 102 1.227 12.109 -6.632 797 HG23 THR 94 HG23 THR 102 0.225 12.499 -5.226 798 H PHE 95 H PHE 103 4.790 10.642 -5.276 799 HA PHE 95 HA PHE 103 6.859 11.624 -3.399 800 HB2 PHE 95 HB2 PHE 103 7.079 9.481 -5.587 801 HB3 PHE 95 HB3 PHE 103 8.205 9.797 -4.298 802 HD1 PHE 95 HD1 PHE 103 4.829 8.544 -5.167 803 HD2 PHE 95 HD2 PHE 103 7.736 8.919 -2.011 804 HE1 PHE 95 HE1 PHE 103 3.495 7.080 -3.768 805 HE2 PHE 95 HE2 PHE 103 6.415 7.356 -0.640 806 HZ PHE 95 HZ PHE 103 4.283 6.478 -1.477 807 H LYS 96 H LYS 104 6.730 10.905 -6.912 808 HA LYS 96 HA LYS 104 8.166 13.423 -7.593 809 HB2 LYS 96 HB2 LYS 104 8.858 10.613 -8.604 810 HB3 LYS 96 HB3 LYS 104 9.625 12.086 -9.083 811 HG2 LYS 96 HG2 LYS 104 9.849 11.800 -6.160 812 HG3 LYS 96 HG3 LYS 104 10.259 10.300 -6.915 813 HD2 LYS 96 HD2 LYS 104 12.283 11.504 -6.675 814 HD3 LYS 96 HD3 LYS 104 11.913 11.568 -8.376 815 HE2 LYS 96 HE2 LYS 104 11.001 13.892 -8.116 816 HE3 LYS 96 HE3 LYS 104 11.288 13.818 -6.386 817 HZ1 LYS 96 HZ1 LYS 104 13.033 14.948 -7.507 818 HZ2 LYS 96 HZ2 LYS 104 13.619 13.565 -6.828 819 HZ3 LYS 96 HZ3 LYS 104 13.357 13.638 -8.455 820 H ASN 97 H ASN 105 6.700 10.439 -8.988 821 HA ASN 97 HA ASN 105 4.867 11.972 -10.699 822 HB2 ASN 97 HB2 ASN 105 5.684 11.028 -12.754 823 HB3 ASN 97 HB3 ASN 105 7.020 11.829 -11.985 824 HD21 ASN 97 HD21 ASN 105 6.706 9.472 -13.981 825 HD22 ASN 97 HD22 ASN 105 7.785 8.263 -13.337 826 H ILE 98 H ILE 106 4.968 9.775 -8.418 827 HA ILE 98 HA ILE 106 3.080 7.860 -9.700 828 HB ILE 98 HB ILE 106 4.557 7.535 -7.052 829 HG12 ILE 98 HG12 ILE 106 5.626 5.584 -8.587 830 HG13 ILE 98 HG13 ILE 106 5.385 6.777 -9.823 831 HG21 ILE 98 HG21 ILE 106 3.786 5.173 -7.221 832 HG22 ILE 98 HG22 ILE 106 2.431 6.273 -7.116 833 HG23 ILE 98 HG23 ILE 106 2.868 5.572 -8.670 834 HD11 ILE 98 HD11 ILE 106 7.639 7.023 -8.911 835 HD12 ILE 98 HD12 ILE 106 6.741 8.422 -8.345 836 HD13 ILE 98 HD13 ILE 106 7.037 7.071 -7.258 837 H LYS 99 H LYS 107 1.069 8.788 -9.477 838 HA LYS 99 HA LYS 107 0.305 10.218 -7.007 839 HB2 LYS 99 HB2 LYS 107 -0.360 11.094 -9.267 840 HB3 LYS 99 HB3 LYS 107 -1.271 9.638 -9.543 841 HG2 LYS 99 HG2 LYS 107 -2.520 10.301 -7.259 842 HG3 LYS 99 HG3 LYS 107 -1.810 11.857 -7.532 843 HD2 LYS 99 HD2 LYS 107 -3.673 10.363 -9.434 844 HD3 LYS 99 HD3 LYS 107 -4.139 11.659 -8.368 845 HE2 LYS 99 HE2 LYS 107 -2.608 13.232 -9.621 846 HE3 LYS 99 HE3 LYS 107 -2.195 11.929 -10.726 847 HZ1 LYS 99 HZ1 LYS 107 -3.924 13.295 -11.589 848 HZ2 LYS 99 HZ2 LYS 107 -4.502 11.775 -11.323 849 HZ3 LYS 99 HZ3 LYS 107 -4.891 12.997 -10.288 850 H SER 100 H SER 108 -0.058 8.934 -5.312 851 HA SER 100 HA SER 108 -1.574 6.410 -5.689 852 HB2 SER 100 HB2 SER 108 -0.385 5.676 -3.675 853 HB3 SER 100 HB3 SER 108 0.676 6.004 -5.034 854 HG SER 100 HG SER 108 1.468 6.853 -3.079 855 H VAL 101 H VAL 109 -3.494 6.257 -5.007 856 HA VAL 101 HA VAL 109 -4.589 8.104 -2.935 857 HB VAL 101 HB VAL 109 -5.919 7.035 -5.477 858 HG11 VAL 101 HG11 VAL 109 -7.846 8.517 -4.854 859 HG12 VAL 101 HG12 VAL 109 -7.631 7.212 -3.709 860 HG13 VAL 101 HG13 VAL 109 -7.085 8.835 -3.301 861 HG21 VAL 101 HG21 VAL 109 -6.041 9.430 -6.185 862 HG22 VAL 101 HG22 VAL 109 -5.022 9.870 -4.820 863 HG23 VAL 101 HG23 VAL 109 -4.397 8.833 -6.098 864 H THR 102 H THR 110 -4.705 6.827 -1.210 865 HA THR 102 HA THR 110 -5.555 4.012 -1.266 866 HB THR 102 HB THR 110 -5.072 5.978 1.032 867 HG1 THR 102 HG1 THR 110 -3.231 5.633 -0.123 868 HG21 THR 102 HG21 THR 110 -4.759 3.951 2.474 869 HG22 THR 102 HG22 THR 110 -6.399 4.092 1.922 870 HG23 THR 102 HG23 THR 110 -5.321 2.929 1.152 871 H GLU 103 H GLU 111 -7.533 3.298 -0.310 872 HA GLU 103 HA GLU 111 -9.526 5.242 0.623 873 HB2 GLU 103 HB2 GLU 111 -10.039 4.983 -1.768 874 HB3 GLU 103 HB3 GLU 111 -9.931 3.257 -1.653 875 HG2 GLU 103 HG2 GLU 111 -11.960 3.209 -0.170 876 HG3 GLU 103 HG3 GLU 111 -12.049 4.957 -0.233 877 H LEU 104 H LEU 112 -10.683 4.501 2.272 878 HA LEU 104 HA LEU 112 -10.514 1.654 3.154 879 HB2 LEU 104 HB2 LEU 112 -9.279 3.099 4.703 880 HB3 LEU 104 HB3 LEU 112 -10.499 4.311 4.609 881 HG LEU 104 HG LEU 112 -12.113 2.613 5.774 882 HD11 LEU 104 HD11 LEU 112 -10.716 1.226 7.469 883 HD12 LEU 104 HD12 LEU 112 -10.937 0.567 5.856 884 HD13 LEU 104 HD13 LEU 112 -9.413 1.338 6.301 885 HD21 LEU 104 HD21 LEU 112 -11.305 3.473 7.965 886 HD22 LEU 104 HD22 LEU 112 -9.871 4.103 7.151 887 HD23 LEU 104 HD23 LEU 112 -11.456 4.710 6.728 888 H ASN 105 H ASN 113 -12.442 0.665 3.065 889 HA ASN 105 HA ASN 113 -14.959 2.171 3.394 890 HB2 ASN 105 HB2 ASN 113 -14.141 0.337 1.081 891 HB3 ASN 105 HB3 ASN 113 -15.781 0.259 1.650 892 HD21 ASN 105 HD21 ASN 113 -13.751 3.242 1.243 893 HD22 ASN 105 HD22 ASN 113 -14.848 3.952 0.088 894 H GLY 106 H GLY 114 -14.658 1.419 5.602 895 HA2 GLY 106 HA2 GLY 114 -15.160 0.037 7.365 896 HA3 GLY 106 HA3 GLY 114 -16.017 -0.992 6.239 897 H ASP 107 H ASP 115 -15.232 -2.994 6.066 898 HA ASP 107 HA ASP 115 -12.531 -3.692 6.924 899 HB2 ASP 107 HB2 ASP 115 -14.946 -5.406 6.270 900 HB3 ASP 107 HB3 ASP 115 -13.407 -6.091 6.751 901 H ILE 108 H ILE 116 -13.163 -2.350 4.185 902 HA ILE 108 HA ILE 116 -11.462 -4.226 2.600 903 HB ILE 108 HB ILE 116 -13.706 -2.460 1.513 904 HG12 ILE 108 HG12 ILE 116 -14.761 -4.328 2.660 905 HG13 ILE 108 HG13 ILE 116 -14.994 -4.401 0.952 906 HG21 ILE 108 HG21 ILE 116 -13.308 -3.645 -0.665 907 HG22 ILE 108 HG22 ILE 116 -11.950 -2.660 -0.178 908 HG23 ILE 108 HG23 ILE 116 -11.882 -4.406 0.032 909 HD11 ILE 108 HD11 ILE 116 -14.317 -6.588 2.348 910 HD12 ILE 108 HD12 ILE 116 -13.748 -6.365 0.699 911 HD13 ILE 108 HD13 ILE 116 -12.679 -6.033 2.053 912 H ILE 109 H ILE 117 -9.699 -3.329 1.785 913 HA ILE 109 HA ILE 117 -9.392 -0.358 1.722 914 HB ILE 109 HB ILE 117 -7.293 -2.563 1.886 915 HG12 ILE 109 HG12 ILE 117 -8.321 -2.288 4.002 916 HG13 ILE 109 HG13 ILE 117 -6.685 -1.720 4.081 917 HG21 ILE 109 HG21 ILE 117 -5.590 -0.716 2.146 918 HG22 ILE 109 HG22 ILE 117 -6.276 -0.812 0.541 919 HG23 ILE 109 HG23 ILE 117 -6.819 0.441 1.647 920 HD11 ILE 109 HD11 ILE 117 -7.855 -0.060 5.280 921 HD12 ILE 109 HD12 ILE 117 -7.841 0.700 3.696 922 HD13 ILE 109 HD13 ILE 117 -9.276 -0.158 4.248 923 H THR 110 H THR 118 -9.004 0.512 -0.235 924 HA THR 110 HA THR 118 -8.256 -1.222 -2.551 925 HB THR 110 HB THR 118 -10.286 1.074 -2.453 926 HG1 THR 110 HG1 THR 118 -11.589 -0.578 -3.390 927 HG21 THR 110 HG21 THR 118 -10.582 0.729 -4.918 928 HG22 THR 110 HG22 THR 118 -8.983 1.351 -4.572 929 HG23 THR 110 HG23 THR 118 -9.196 -0.359 -4.938 930 H ASN 111 H ASN 119 -6.312 -0.571 -3.280 931 HA ASN 111 HA ASN 119 -5.441 2.284 -2.904 932 HB2 ASN 111 HB2 ASN 119 -4.194 0.040 -1.847 933 HB3 ASN 111 HB3 ASN 119 -3.438 0.062 -3.413 934 HD21 ASN 111 HD21 ASN 119 -3.574 1.406 -0.244 935 HD22 ASN 111 HD22 ASN 119 -2.482 2.743 -0.467 936 H THR 112 H THR 120 -5.000 3.423 -4.651 937 HA THR 112 HA THR 120 -4.692 2.047 -7.276 938 HB THR 112 HB THR 120 -6.461 4.480 -6.696 939 HG1 THR 112 HG1 THR 120 -7.413 2.531 -6.176 940 HG21 THR 112 HG21 THR 120 -7.101 4.305 -9.129 941 HG22 THR 112 HG22 THR 120 -5.419 4.764 -8.948 942 HG23 THR 112 HG23 THR 120 -5.834 3.106 -9.370 943 H MET 113 H MET 121 -2.673 2.434 -7.756 944 HA MET 113 HA MET 121 -1.377 5.070 -7.273 945 HB2 MET 113 HB2 MET 121 -0.185 2.305 -7.789 946 HB3 MET 113 HB3 MET 121 0.700 3.775 -7.483 947 HG2 MET 113 HG2 MET 121 -0.118 3.872 -5.180 948 HG3 MET 113 HG3 MET 121 -1.232 2.564 -5.441 949 HE1 MET 113 HE1 MET 121 3.323 1.720 -5.672 950 HE2 MET 113 HE2 MET 121 2.372 2.152 -7.089 951 HE3 MET 113 HE3 MET 121 2.655 3.354 -5.822 952 H THR 114 H THR 122 -0.370 6.107 -9.029 953 HA THR 114 HA THR 122 -0.643 4.898 -11.741 954 HB THR 114 HB THR 122 -1.522 7.701 -10.902 955 HG1 THR 114 HG1 THR 122 -3.509 6.921 -11.786 956 HG21 THR 114 HG21 THR 122 -2.292 7.938 -13.309 957 HG22 THR 114 HG22 THR 122 -0.549 7.926 -13.169 958 HG23 THR 114 HG23 THR 122 -1.386 6.482 -13.714 959 H LEU 115 H LEU 123 1.509 4.480 -11.944 960 HA LEU 115 HA LEU 123 3.454 6.722 -11.785 961 HB2 LEU 115 HB2 LEU 123 4.208 4.845 -10.539 962 HB3 LEU 115 HB3 LEU 123 3.689 3.703 -11.734 963 HG LEU 115 HG LEU 123 5.478 4.242 -13.240 964 HD11 LEU 115 HD11 LEU 123 6.647 6.141 -13.340 965 HD12 LEU 115 HD12 LEU 123 5.664 6.820 -12.065 966 HD13 LEU 115 HD13 LEU 123 7.169 6.030 -11.668 967 HD21 LEU 115 HD21 LEU 123 7.491 3.788 -11.580 968 HD22 LEU 115 HD22 LEU 123 6.205 3.557 -10.408 969 HD23 LEU 115 HD23 LEU 123 6.252 2.579 -11.874 970 H GLY 116 H GLY 124 3.413 7.846 -13.621 971 HA2 GLY 116 HA2 GLY 124 3.683 8.402 -15.805 972 HA3 GLY 116 HA3 GLY 124 4.424 6.830 -16.050 973 H ASP 117 H ASP 125 3.349 5.394 -17.304 974 HA ASP 117 HA ASP 125 0.626 5.994 -18.266 975 HB2 ASP 117 HB2 ASP 125 1.411 4.376 -20.192 976 HB3 ASP 117 HB3 ASP 125 1.923 6.037 -20.120 977 H ILE 118 H ILE 126 1.824 4.066 -15.875 978 HA ILE 118 HA ILE 126 -0.093 1.825 -16.416 979 HB ILE 118 HB ILE 126 2.588 1.855 -14.966 980 HG12 ILE 118 HG12 ILE 126 1.723 0.191 -17.364 981 HG13 ILE 118 HG13 ILE 126 2.583 1.691 -17.516 982 HG21 ILE 118 HG21 ILE 126 2.248 -0.625 -14.576 983 HG22 ILE 118 HG22 ILE 126 1.161 0.349 -13.630 984 HG23 ILE 118 HG23 ILE 126 0.581 -0.453 -15.091 985 HD11 ILE 118 HD11 ILE 126 4.522 0.569 -17.372 986 HD12 ILE 118 HD12 ILE 126 4.172 0.194 -15.691 987 HD13 ILE 118 HD13 ILE 126 3.687 -0.923 -16.964 988 H VAL 119 H VAL 127 -1.442 1.184 -14.743 989 HA VAL 119 HA VAL 127 -1.488 2.910 -12.320 990 HB VAL 119 HB VAL 127 -3.873 1.812 -13.864 991 HG11 VAL 119 HG11 VAL 127 -5.295 3.137 -12.355 992 HG12 VAL 119 HG12 VAL 127 -4.370 2.011 -11.387 993 HG13 VAL 119 HG13 VAL 127 -3.898 3.699 -11.456 994 HG21 VAL 119 HG21 VAL 127 -4.393 4.200 -14.378 995 HG22 VAL 119 HG22 VAL 127 -2.850 4.673 -13.678 996 HG23 VAL 119 HG23 VAL 127 -2.897 3.675 -15.126 997 H PHE 120 H PHE 128 -0.374 1.423 -10.995 998 HA PHE 120 HA PHE 128 -1.161 -1.328 -10.687 999 HB2 PHE 120 HB2 PHE 128 1.086 -0.646 -10.190 1000 HB3 PHE 120 HB3 PHE 128 0.572 0.548 -9.053 1001 HD1 PHE 120 HD1 PHE 128 -0.435 -3.104 -9.392 1002 HD2 PHE 120 HD2 PHE 128 1.648 -0.147 -7.061 1003 HE1 PHE 120 HE1 PHE 128 -0.095 -4.734 -7.610 1004 HE2 PHE 120 HE2 PHE 128 1.965 -1.805 -5.268 1005 HZ PHE 120 HZ PHE 128 1.097 -4.092 -5.534 1006 H LYS 121 H LYS 129 -2.775 -2.205 -9.515 1007 HA LYS 121 HA LYS 129 -4.115 -0.582 -7.422 1008 HB2 LYS 121 HB2 LYS 129 -5.326 -2.226 -9.655 1009 HB3 LYS 121 HB3 LYS 129 -6.247 -1.855 -8.225 1010 HG2 LYS 121 HG2 LYS 129 -6.319 0.465 -8.646 1011 HG3 LYS 121 HG3 LYS 129 -4.907 0.449 -9.637 1012 HD2 LYS 121 HD2 LYS 129 -6.308 0.671 -11.363 1013 HD3 LYS 121 HD3 LYS 129 -6.460 -1.048 -11.271 1014 HE2 LYS 121 HE2 LYS 129 -8.384 0.902 -9.897 1015 HE3 LYS 121 HE3 LYS 129 -8.645 0.204 -11.482 1016 HZ1 LYS 121 HZ1 LYS 129 -9.780 -1.027 -9.822 1017 HZ2 LYS 121 HZ2 LYS 129 -8.612 -1.971 -10.506 1018 HZ3 LYS 121 HZ3 LYS 129 -8.379 -1.335 -9.010 1019 H ARG 122 H ARG 130 -4.871 -1.639 -5.644 1020 HA ARG 122 HA ARG 130 -4.151 -4.477 -5.213 1021 HB2 ARG 122 HB2 ARG 130 -2.344 -2.514 -4.534 1022 HB3 ARG 122 HB3 ARG 130 -3.369 -2.374 -3.152 1023 HG2 ARG 122 HG2 ARG 130 -1.537 -3.874 -2.593 1024 HG3 ARG 122 HG3 ARG 130 -2.998 -4.829 -2.704 1025 HD2 ARG 122 HD2 ARG 130 -2.350 -5.919 -4.625 1026 HD3 ARG 122 HD3 ARG 130 -1.441 -4.583 -5.279 1027 HE ARG 122 HE ARG 130 -0.222 -5.715 -2.881 1028 HH11 ARG 122 HH11 ARG 130 -0.725 -6.350 -6.337 1029 HH12 ARG 122 HH12 ARG 130 0.695 -7.361 -6.487 1030 HH21 ARG 122 HH21 ARG 130 1.685 -7.003 -3.136 1031 HH22 ARG 122 HH22 ARG 130 2.008 -7.801 -4.656 1032 H ILE 123 H ILE 131 -5.679 -5.502 -4.018 1033 HA ILE 123 HA ILE 131 -7.638 -3.864 -2.458 1034 HB ILE 123 HB ILE 131 -8.148 -6.501 -3.920 1035 HG12 ILE 123 HG12 ILE 131 -9.969 -4.956 -5.051 1036 HG13 ILE 123 HG13 ILE 131 -8.947 -3.642 -4.569 1037 HG21 ILE 123 HG21 ILE 131 -10.525 -6.202 -3.201 1038 HG22 ILE 123 HG22 ILE 131 -9.480 -6.428 -1.827 1039 HG23 ILE 123 HG23 ILE 131 -10.055 -4.813 -2.227 1040 HD11 ILE 123 HD11 ILE 131 -7.697 -4.011 -6.467 1041 HD12 ILE 123 HD12 ILE 131 -7.276 -5.628 -5.926 1042 HD13 ILE 123 HD13 ILE 131 -8.730 -5.375 -6.872 1043 H SER 124 H SER 132 -7.797 -4.419 -0.350 1044 HA SER 124 HA SER 132 -6.782 -7.039 0.578 1045 HB2 SER 124 HB2 SER 132 -5.962 -4.286 1.669 1046 HB3 SER 124 HB3 SER 132 -5.768 -5.774 2.574 1047 HG SER 124 HG SER 132 -3.912 -5.180 1.392 1048 H LYS 125 H LYS 133 -7.759 -7.800 2.489 1049 HA LYS 125 HA LYS 133 -10.316 -6.473 3.292 1050 HB2 LYS 125 HB2 LYS 133 -10.722 -8.471 1.916 1051 HB3 LYS 125 HB3 LYS 133 -9.633 -9.412 2.911 1052 HG2 LYS 125 HG2 LYS 133 -11.209 -9.140 4.861 1053 HG3 LYS 125 HG3 LYS 133 -12.289 -8.237 3.827 1054 HD2 LYS 125 HD2 LYS 133 -12.555 -10.255 2.374 1055 HD3 LYS 125 HD3 LYS 133 -11.364 -11.112 3.308 1056 HE2 LYS 125 HE2 LYS 133 -13.572 -11.862 4.013 1057 HE3 LYS 125 HE3 LYS 133 -12.852 -10.975 5.343 1058 HZ1 LYS 125 HZ1 LYS 133 -15.115 -10.351 4.975 1059 HZ2 LYS 125 HZ2 LYS 133 -14.136 -9.062 4.670 1060 HZ3 LYS 125 HZ3 LYS 133 -14.801 -9.906 3.419 1061 H ARG 126 H ARG 134 -10.754 -6.371 5.434 1062 HA ARG 126 HA ARG 134 -8.637 -6.373 7.290 1063 HB2 ARG 126 HB2 ARG 134 -10.825 -5.026 7.005 1064 HB3 ARG 126 HB3 ARG 134 -11.597 -6.233 7.987 1065 HG2 ARG 126 HG2 ARG 134 -9.157 -4.602 8.782 1066 HG3 ARG 126 HG3 ARG 134 -10.769 -4.004 9.039 1067 HD2 ARG 126 HD2 ARG 134 -11.075 -6.298 10.448 1068 HD3 ARG 126 HD3 ARG 134 -9.322 -6.233 10.415 1069 HE ARG 126 HE ARG 134 -10.298 -3.690 11.166 1070 HH11 ARG 126 HH11 ARG 134 -9.673 -6.939 12.468 1071 HH12 ARG 126 HH12 ARG 134 -9.414 -6.369 14.095 1072 HH21 ARG 126 HH21 ARG 134 -9.922 -2.956 13.285 1073 HH22 ARG 126 HH22 ARG 134 -9.581 -4.088 14.563 1074 H ILE 127 H ILE 135 -8.118 -7.703 9.033 1075 HA ILE 127 HA ILE 135 -9.159 -10.484 8.903 1076 HB ILE 127 HB ILE 135 -6.670 -9.790 10.459 1077 HG12 ILE 127 HG12 ILE 135 -6.666 -9.915 7.433 1078 HG13 ILE 127 HG13 ILE 135 -6.210 -8.570 8.415 1079 HG21 ILE 127 HG21 ILE 135 -6.013 -12.067 9.828 1080 HG22 ILE 127 HG22 ILE 135 -7.658 -12.134 10.404 1081 HG23 ILE 127 HG23 ILE 135 -7.339 -12.184 8.677 1082 HD11 ILE 127 HD11 ILE 135 -4.138 -9.477 7.864 1083 HD12 ILE 127 HD12 ILE 135 -4.403 -10.172 9.460 1084 HD13 ILE 127 HD13 ILE 135 -4.680 -11.141 8.016 1085 H2 2VN 201 H152 DRG 176 1.441 4.071 2.643 1086 H1 2VN 201 H151 DRG 176 0.999 5.749 2.617 1087 H18 2VN 201 H212 DRG 176 0.806 5.531 -1.719 1088 H17 2VN 201 H211 DRG 176 1.727 4.563 -0.665 1089 H20 2VN 201 H222 DRG 176 1.792 4.349 -3.723 1090 H19 2VN 201 H221 DRG 176 2.896 5.309 -2.814 1091 H22 2VN 201 H232 DRG 176 2.726 2.303 -2.399 1092 H21 2VN 201 H231 DRG 176 3.653 3.019 -3.666 1093 H23 2VN 201 H24 DRG 176 4.985 4.320 -2.099 1094 H24 2VN 201 H251 DRG 176 5.748 2.119 -3.001 1095 H25 2VN 201 H252 DRG 176 5.129 1.356 -1.561 1096 H26 2VN 201 H261 DRG 176 7.532 3.141 -1.887 1097 H27 2VN 201 H262 DRG 176 7.331 1.683 -0.941 1098 H28 2VN 201 H271 DRG 176 6.761 4.538 -0.218 1099 H29 2VN 201 H272 DRG 176 7.491 3.296 0.756 1100 H31 2VN 201 H282 DRG 176 5.240 2.197 0.999 1101 H30 2VN 201 H281 DRG 176 5.220 3.813 1.645 1102 H32 2VN 201 H291 DRG 176 3.286 3.027 0.041 1103 H33 2VN 201 H292 DRG 176 3.891 4.653 -0.081 1104 H35 2VN 201 H112 DRG 176 2.259 1.057 0.134 1105 H34 2VN 201 H111 DRG 176 2.524 0.334 -1.422 1106 H3 2VN 201 H14 DRG 176 -1.187 5.392 2.064 1107 HK6 2VN 201 H7 DRG 176 3.578 -1.584 -0.533 1108 HL7 2VN 201 H6 DRG 176 3.328 -3.816 0.426 1109 HL8 2VN 201 H8 DRG 176 -0.670 -2.844 1.675 1110 HK9 2VN 201 H9 DRG 176 -0.430 -0.610 0.721 1111 HJ2 2VN 201 H43 DRG 176 1.244 -8.498 0.278 1112 HJ1 2VN 201 H42 DRG 176 -0.147 -7.487 0.673 1113 HJ0 2VN 201 H41 DRG 176 0.976 -7.936 1.930 1114 HJ4 2VN 201 H32 DRG 176 3.599 -7.574 0.393 1115 HJ5 2VN 201 H33 DRG 176 3.902 -5.882 0.722 1116 HJ3 2VN 201 H31 DRG 176 3.375 -6.943 2.014 1117 H4 2VN 201 H191 DRG 176 -1.217 2.676 3.378 1118 H5 2VN 201 H192 DRG 176 -2.589 3.430 2.646 1119 H7 2VN 201 H182 DRG 176 -2.168 3.575 5.256 1120 H6 2VN 201 H181 DRG 176 -2.846 4.936 4.431 1121 H9 2VN 201 H172 DRG 176 -0.770 5.251 6.092 1122 H8 2VN 201 H171 DRG 176 -0.914 6.244 4.668 1123 H11 2VN 201 H162 DRG 176 0.771 3.726 4.842 1124 H10 2VN 201 H161 DRG 176 1.408 5.344 4.896 1125 H14 2VN 201 H122 DRG 176 -0.367 0.478 -1.098 1126 H13 2VN 201 H121 DRG 176 0.658 1.144 -2.303 1127 H16 2VN 201 H202 DRG 176 0.106 3.076 -2.737 1128 H15 2VN 201 H201 DRG 176 -0.819 4.013 -1.628 1129 H12 2VN 201 HN2 DRG 176 -0.612 4.557 0.155
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