data_7430_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7430 _Entry.PDB_ID 2K8V _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 40 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 7 7 HIS CA C 22 56.307 54.509 1.798 1 1 2 . 1 1 1 A 7 7 HIS CB C 22 30.341 30.925 -0.584 1 1 3 . 1 1 1 A 8 8 MET H H 23 8.449 8.157 0.292 1 1 4 . 1 1 1 A 8 8 MET CA C 23 55.742 61.498 -5.756 1 1 5 . 1 1 1 A 8 8 MET CB C 23 32.842 39.117 -6.275 1 1 6 . 1 1 1 A 8 8 MET N N 23 122.176 123.597 -1.421 1 1 7 . 1 1 1 A 9 9 SER H H 24 8.428 6.056 2.372 1 1 8 . 1 1 1 A 9 9 SER CA C 24 58.412 54.444 3.968 1 1 9 . 1 1 1 A 9 9 SER CB C 24 63.900 28.067 35.833 1 1 10 . 1 1 1 A 9 9 SER N N 24 116.789 117.475 -0.686 1 1 11 . 1 1 1 A 10 10 ASP H H 25 8.382 7.053 1.329 1 1 12 . 1 1 1 A 10 10 ASP CA C 25 54.487 56.502 -2.015 1 1 13 . 1 1 1 A 10 10 ASP CB C 25 41.285 30.836 10.449 1 1 14 . 1 1 1 A 10 10 ASP N N 25 122.384 117.512 4.872 1 1 15 . 1 1 1 A 11 11 GLY H H 26 8.363 7.472 0.891 1 1 16 . 1 1 1 A 11 11 GLY CA C 26 45.546 58.574 -13.028 1 1 17 . 1 1 1 A 11 11 GLY N N 26 108.671 121.118 -12.447 1 1 18 . 1 1 1 A 12 12 HIS H H 27 8.350 7.439 0.911 1 1 19 . 1 1 1 A 12 12 HIS CA C 27 56.103 62.980 -6.877 1 1 20 . 1 1 1 A 12 12 HIS CB C 27 29.813 68.376 -38.563 1 1 21 . 1 1 1 A 12 12 HIS N N 27 118.814 112.019 6.795 1 1 22 . 1 1 1 A 13 13 ASN H H 28 8.505 8.794 -0.289 1 1 25 . 1 1 1 A 13 13 ASN CA C 28 53.482 57.949 -4.467 1 1 26 . 1 1 1 A 13 13 ASN CB C 28 39.386 42.432 -3.046 1 1 27 . 1 1 1 A 13 13 ASN N N 28 119.523 126.015 -6.492 1 1 29 . 1 1 1 A 14 14 GLY H H 29 8.743 8.291 0.452 1 1 30 . 1 1 1 A 14 14 GLY CA C 29 45.534 59.629 -14.095 1 1 31 . 1 1 1 A 14 14 GLY N N 29 110.136 119.446 -9.310 1 1 32 . 1 1 1 A 15 15 LEU H H 30 8.466 8.119 0.347 1 1 33 . 1 1 1 A 15 15 LEU CA C 30 56.146 56.639 -0.493 1 1 34 . 1 1 1 A 15 15 LEU CB C 30 42.864 40.363 2.501 1 1 35 . 1 1 1 A 15 15 LEU N N 30 120.511 118.737 1.774 1 1 36 . 1 1 1 A 16 16 GLY H H 31 8.886 8.630 0.256 1 1 37 . 1 1 1 A 16 16 GLY CA C 31 47.064 47.061 0.003 1 1 38 . 1 1 1 A 16 16 GLY N N 31 108.073 109.200 -1.127 1 1 39 . 1 1 1 A 17 17 LYS H H 32 7.854 8.389 -0.535 1 1 40 . 1 1 1 A 17 17 LYS CA C 32 55.661 58.777 -3.116 1 1 41 . 1 1 1 A 17 17 LYS CB C 32 29.379 32.194 -2.815 1 1 42 . 1 1 1 A 17 17 LYS N N 32 110.952 121.763 -10.811 1 1 43 . 1 1 1 A 18 18 GLY H H 33 8.095 7.898 0.197 1 1 44 . 1 1 1 A 18 18 GLY CA C 33 44.893 59.093 -14.200 1 1 45 . 1 1 1 A 18 18 GLY N N 33 103.957 117.897 -13.940 1 1 46 . 1 1 1 A 19 19 PHE H H 34 7.887 7.467 0.420 1 1 47 . 1 1 1 A 19 19 PHE CA C 34 61.146 58.680 2.466 1 1 48 . 1 1 1 A 19 19 PHE CB C 34 38.963 29.708 9.255 1 1 49 . 1 1 1 A 19 19 PHE N N 34 117.883 119.190 -1.307 1 1 50 . 1 1 1 A 20 20 GLY H H 35 7.696 8.286 -0.590 1 1 51 . 1 1 1 A 20 20 GLY CA C 35 45.189 53.884 -8.695 1 1 52 . 1 1 1 A 20 20 GLY N N 35 102.668 122.114 -19.446 1 1 53 . 1 1 1 A 21 21 ASP H H 36 9.284 7.501 1.783 1 1 54 . 1 1 1 A 21 21 ASP CA C 36 56.026 54.653 1.373 1 1 55 . 1 1 1 A 21 21 ASP CB C 36 40.543 18.829 21.714 1 1 56 . 1 1 1 A 21 21 ASP N N 36 129.289 120.069 9.220 1 1 57 . 1 1 1 A 22 22 HIS H H 37 9.058 8.196 0.862 1 1 58 . 1 1 1 A 22 22 HIS CA C 37 56.628 55.173 1.455 1 1 59 . 1 1 1 A 22 22 HIS CB C 37 29.941 19.061 10.880 1 1 60 . 1 1 1 A 22 22 HIS N N 37 116.742 121.132 -4.390 1 1 61 . 1 1 1 A 23 23 ILE H H 38 6.449 7.467 -1.018 1 1 62 . 1 1 1 A 23 23 ILE CA C 38 59.183 59.348 -0.165 1 1 63 . 1 1 1 A 23 23 ILE CB C 38 39.408 64.026 -24.618 1 1 64 . 1 1 1 A 23 23 ILE N N 38 124.704 112.179 12.525 1 1 65 . 1 1 1 A 24 24 HIS H H 39 7.857 8.509 -0.652 1 1 66 . 1 1 1 A 24 24 HIS CA C 39 52.931 46.772 6.159 1 1 68 . 1 1 1 A 24 24 HIS N N 39 124.600 108.979 15.621 1 1 69 . 1 1 1 A 25 25 TRP H H 40 8.032 7.734 0.298 1 1 71 . 1 1 1 A 25 25 TRP CA C 40 57.058 50.981 6.077 1 1 72 . 1 1 1 A 25 25 TRP CB C 40 30.411 45.121 -14.710 1 1 73 . 1 1 1 A 25 25 TRP N N 40 130.002 114.728 15.274 1 1 76 . 1 1 1 A 26 26 ARG CA C 41 54.500 62.311 -7.811 1 1 77 . 1 1 1 A 26 26 ARG CB C 41 35.055 33.248 1.807 1 1 78 . 1 1 1 A 26 26 ARG N N 41 122.005 134.918 -12.913 1 1 79 . 1 1 1 A 27 27 THR H H 42 8.562 8.047 0.515 1 1 80 . 1 1 1 A 27 27 THR CA C 42 61.294 52.244 9.050 1 1 81 . 1 1 1 A 27 27 THR CB C 42 70.325 45.603 24.722 1 1 82 . 1 1 1 A 27 27 THR N N 42 111.261 117.399 -6.138 1 1 83 . 1 1 1 A 28 28 LEU H H 43 8.994 8.560 0.434 1 1 84 . 1 1 1 A 28 28 LEU CA C 43 59.121 53.573 5.548 1 1 85 . 1 1 1 A 28 28 LEU CB C 43 41.515 32.194 9.321 1 1 86 . 1 1 1 A 28 28 LEU N N 43 121.976 119.831 2.145 1 1 87 . 1 1 1 A 29 29 GLU H H 44 8.759 8.081 0.678 1 1 88 . 1 1 1 A 29 29 GLU CA C 44 59.928 62.969 -3.041 1 1 89 . 1 1 1 A 29 29 GLU CB C 44 29.342 31.224 -1.882 1 1 90 . 1 1 1 A 29 29 GLU N N 44 116.492 124.590 -8.098 1 1 91 . 1 1 1 A 30 30 ASP H H 45 7.692 9.067 -1.375 1 1 92 . 1 1 1 A 30 30 ASP CA C 45 57.131 60.324 -3.193 1 1 93 . 1 1 1 A 30 30 ASP CB C 45 40.093 39.608 0.485 1 1 94 . 1 1 1 A 30 30 ASP N N 45 119.105 128.412 -9.307 1 1 95 . 1 1 1 A 31 31 GLY H H 46 9.224 8.958 0.266 1 1 96 . 1 1 1 A 31 31 GLY CA C 46 47.426 59.929 -12.503 1 1 97 . 1 1 1 A 31 31 GLY N N 46 111.508 131.260 -19.752 1 1 98 . 1 1 1 A 32 32 LYS H H 47 8.691 8.423 0.268 1 1 99 . 1 1 1 A 32 32 LYS CA C 47 60.968 53.679 7.289 1 1 100 . 1 1 1 A 32 32 LYS CB C 47 32.534 32.970 -0.436 1 1 101 . 1 1 1 A 32 32 LYS N N 47 121.519 122.099 -0.580 1 1 102 . 1 1 1 A 33 33 LYS H H 48 7.234 8.816 -1.582 1 1 103 . 1 1 1 A 33 33 LYS CA C 48 59.734 54.740 4.994 1 1 104 . 1 1 1 A 33 33 LYS CB C 48 32.349 36.028 -3.679 1 1 105 . 1 1 1 A 33 33 LYS N N 48 119.937 121.804 -1.867 1 1 106 . 1 1 1 A 34 34 GLU H H 49 8.179 9.217 -1.038 1 1 107 . 1 1 1 A 34 34 GLU CA C 49 58.911 58.853 0.058 1 1 108 . 1 1 1 A 34 34 GLU CB C 49 29.393 62.135 -32.742 1 1 109 . 1 1 1 A 34 34 GLU N N 49 121.748 117.730 4.018 1 1 110 . 1 1 1 A 35 35 ALA H H 50 9.142 8.123 1.019 1 1 111 . 1 1 1 A 35 35 ALA CA C 50 56.068 60.575 -4.507 1 1 112 . 1 1 1 A 35 35 ALA CB C 50 19.504 27.838 -8.334 1 1 113 . 1 1 1 A 35 35 ALA N N 50 125.093 120.590 4.503 1 1 114 . 1 1 1 A 36 36 ALA H H 51 7.548 9.069 -1.521 1 1 115 . 1 1 1 A 36 36 ALA CA C 51 54.765 59.820 -5.055 1 1 116 . 1 1 1 A 36 36 ALA CB C 51 18.095 26.640 -8.545 1 1 117 . 1 1 1 A 36 36 ALA N N 51 118.057 117.560 0.497 1 1 118 . 1 1 1 A 37 37 ALA H H 52 7.517 8.846 -1.329 1 1 119 . 1 1 1 A 37 37 ALA CA C 52 54.200 45.835 8.365 1 1 121 . 1 1 1 A 37 37 ALA N N 52 118.541 114.131 4.410 1 1 122 . 1 1 1 A 38 38 SER H H 53 8.330 7.981 0.349 1 1 123 . 1 1 1 A 38 38 SER CA C 53 59.095 53.953 5.142 1 1 124 . 1 1 1 A 38 38 SER CB C 53 65.540 18.209 47.331 1 1 125 . 1 1 1 A 38 38 SER N N 53 110.905 123.276 -12.371 1 1 126 . 1 1 1 A 39 39 GLY H H 54 8.454 7.131 1.323 1 1 127 . 1 1 1 A 39 39 GLY CA C 54 46.559 60.612 -14.053 1 1 128 . 1 1 1 A 39 39 GLY N N 54 112.427 115.635 -3.208 1 1 129 . 1 1 1 A 40 40 LEU H H 55 7.580 7.901 -0.321 1 1 130 . 1 1 1 A 40 40 LEU CA C 55 51.891 58.922 -7.031 1 1 131 . 1 1 1 A 40 40 LEU CB C 55 43.061 32.014 11.047 1 1 132 . 1 1 1 A 40 40 LEU N N 55 121.312 118.261 3.051 1 1 133 . 1 1 1 A 41 41 PRO CA C 56 61.426 54.904 6.522 1 1 134 . 1 1 1 A 41 41 PRO CB C 56 32.878 18.208 14.670 1 1 135 . 1 1 1 A 42 42 LEU H H 57 8.447 7.935 0.512 1 1 136 . 1 1 1 A 42 42 LEU CA C 57 55.025 57.495 -2.470 1 1 137 . 1 1 1 A 42 42 LEU CB C 57 44.360 41.124 3.236 1 1 138 . 1 1 1 A 42 42 LEU N N 57 116.186 119.069 -2.883 1 1 139 . 1 1 1 A 43 43 MET H H 58 8.610 7.798 0.812 1 1 140 . 1 1 1 A 43 43 MET CA C 58 54.951 61.432 -6.481 1 1 141 . 1 1 1 A 43 43 MET CB C 58 34.319 30.997 3.322 1 1 142 . 1 1 1 A 43 43 MET N N 58 124.827 118.285 6.542 1 1 144 . 1 1 1 A 44 44 VAL CA C 59 60.237 65.435 -5.198 1 1 145 . 1 1 1 A 44 44 VAL CB C 59 34.052 30.831 3.221 1 1 146 . 1 1 1 A 44 44 VAL N N 59 125.176 133.447 -8.271 1 1 147 . 1 1 1 A 45 45 ILE H H 60 8.512 8.477 0.035 1 1 148 . 1 1 1 A 45 45 ILE CA C 60 60.138 58.822 1.316 1 1 149 . 1 1 1 A 45 45 ILE CB C 60 40.622 32.739 7.883 1 1 150 . 1 1 1 A 45 45 ILE N N 60 125.614 116.249 9.365 1 1 151 . 1 1 1 A 46 46 ILE H H 61 9.528 8.691 0.837 1 1 152 . 1 1 1 A 46 46 ILE CA C 61 61.356 61.132 0.224 1 1 153 . 1 1 1 A 46 46 ILE CB C 61 39.017 39.355 -0.338 1 1 154 . 1 1 1 A 46 46 ILE N N 61 130.237 121.040 9.197 1 1 155 . 1 1 1 A 47 47 HIS H H 62 8.926 7.997 0.929 1 1 156 . 1 1 1 A 47 47 HIS CA C 62 54.153 54.933 -0.780 1 1 157 . 1 1 1 A 47 47 HIS CB C 62 35.638 18.340 17.298 1 1 158 . 1 1 1 A 47 47 HIS N N 62 121.634 120.926 0.708 1 1 159 . 1 1 1 A 48 48 LYS H H 63 7.798 8.395 -0.597 1 1 160 . 1 1 1 A 48 48 LYS CA C 63 52.412 58.588 -6.176 1 1 161 . 1 1 1 A 48 48 LYS CB C 63 33.666 29.610 4.056 1 1 162 . 1 1 1 A 48 48 LYS N N 63 116.188 119.636 -3.448 1 1 163 . 1 1 1 A 49 49 SER H H 64 10.807 8.911 1.896 1 1 164 . 1 1 1 A 49 49 SER CA C 64 60.779 60.246 0.533 1 1 165 . 1 1 1 A 49 49 SER CB C 64 62.612 61.949 0.663 1 1 166 . 1 1 1 A 49 49 SER N N 64 121.963 115.617 6.346 1 1 167 . 1 1 1 A 50 50 TRP H H 65 6.564 7.747 -1.183 1 1 169 . 1 1 1 A 50 50 TRP CA C 65 54.246 66.393 -12.147 1 1 170 . 1 1 1 A 50 50 TRP CB C 65 29.500 69.047 -39.547 1 1 171 . 1 1 1 A 50 50 TRP N N 65 115.717 116.419 -0.702 1 1 173 . 1 1 1 A 51 51 CYS H H 66 6.689 7.442 -0.753 1 1 174 . 1 1 1 A 51 51 CYS CA C 66 60.195 58.842 1.353 1 1 175 . 1 1 1 A 51 51 CYS CB C 66 30.909 29.224 1.685 1 1 176 . 1 1 1 A 51 51 CYS N N 66 125.894 119.954 5.940 1 1 177 . 1 1 1 A 52 52 GLY H H 67 9.301 7.871 1.430 1 1 178 . 1 1 1 A 52 52 GLY CA C 67 47.510 63.538 -16.028 1 1 179 . 1 1 1 A 52 52 GLY N N 67 119.542 121.579 -2.037 1 1 180 . 1 1 1 A 53 53 ALA H H 68 9.861 8.162 1.699 1 1 181 . 1 1 1 A 53 53 ALA CA C 68 55.404 61.006 -5.602 1 1 182 . 1 1 1 A 53 53 ALA CB C 68 18.521 63.254 -44.733 1 1 183 . 1 1 1 A 53 53 ALA N N 68 133.080 117.309 15.771 1 1 184 . 1 1 1 A 54 54 CYS H H 69 9.891 7.589 2.302 1 1 185 . 1 1 1 A 54 54 CYS CA C 69 64.497 57.639 6.858 1 1 186 . 1 1 1 A 54 54 CYS CB C 69 29.057 30.132 -1.075 1 1 187 . 1 1 1 A 54 54 CYS N N 69 127.404 119.854 7.550 1 1 188 . 1 1 1 A 55 55 LYS H H 70 8.059 7.923 0.136 1 1 189 . 1 1 1 A 55 55 LYS CA C 70 59.840 57.296 2.544 1 1 190 . 1 1 1 A 55 55 LYS CB C 70 32.942 40.783 -7.841 1 1 191 . 1 1 1 A 55 55 LYS N N 70 118.141 121.041 -2.900 1 1 192 . 1 1 1 A 56 56 ALA H H 71 7.517 7.374 0.143 1 1 193 . 1 1 1 A 56 56 ALA CA C 71 53.989 62.017 -8.028 1 1 194 . 1 1 1 A 56 56 ALA CB C 71 18.501 62.664 -44.163 1 1 195 . 1 1 1 A 56 56 ALA N N 71 118.540 114.379 4.161 1 1 196 . 1 1 1 A 57 57 LEU H H 72 7.351 7.737 -0.386 1 1 197 . 1 1 1 A 57 57 LEU CA C 72 56.998 58.524 -1.526 1 1 198 . 1 1 1 A 57 57 LEU CB C 72 42.256 28.303 13.953 1 1 199 . 1 1 1 A 57 57 LEU N N 72 117.293 118.307 -1.014 1 1 200 . 1 1 1 A 58 58 LYS H H 73 7.101 8.353 -1.252 1 1 201 . 1 1 1 A 58 58 LYS CA C 73 62.302 55.343 6.959 1 1 202 . 1 1 1 A 58 58 LYS CB C 73 30.098 38.840 -8.742 1 1 203 . 1 1 1 A 58 58 LYS N N 73 115.956 117.571 -1.615 1 1 204 . 1 1 1 A 59 59 PRO CA C 74 65.581 56.765 8.816 1 1 205 . 1 1 1 A 59 59 PRO CB C 74 30.726 40.475 -9.749 1 1 206 . 1 1 1 A 60 60 LYS H H 75 6.694 8.111 -1.417 1 1 207 . 1 1 1 A 60 60 LYS CA C 75 58.353 60.091 -1.738 1 1 208 . 1 1 1 A 60 60 LYS CB C 75 32.606 35.466 -2.860 1 1 209 . 1 1 1 A 60 60 LYS N N 75 115.897 119.411 -3.514 1 1 210 . 1 1 1 A 61 61 PHE H H 76 8.285 8.206 0.079 1 1 211 . 1 1 1 A 61 61 PHE CA C 76 60.241 52.741 7.500 1 1 212 . 1 1 1 A 61 61 PHE CB C 76 41.785 36.316 5.469 1 1 213 . 1 1 1 A 61 61 PHE N N 76 120.489 126.289 -5.800 1 1 214 . 1 1 1 A 62 62 ALA H H 77 9.036 8.554 0.482 1 1 215 . 1 1 1 A 62 62 ALA CA C 77 55.215 60.603 -5.388 1 1 216 . 1 1 1 A 62 62 ALA CB C 77 19.141 35.850 -16.709 1 1 217 . 1 1 1 A 62 62 ALA N N 77 119.890 118.367 1.523 1 1 218 . 1 1 1 A 63 63 GLU H H 78 7.541 9.176 -1.635 1 1 219 . 1 1 1 A 63 63 GLU CA C 78 55.965 51.842 4.123 1 1 220 . 1 1 1 A 63 63 GLU CB C 78 29.630 42.028 -12.398 1 1 221 . 1 1 1 A 63 63 GLU N N 78 111.511 126.289 -14.778 1 1 222 . 1 1 1 A 64 64 SER H H 79 6.861 8.620 -1.759 1 1 223 . 1 1 1 A 64 64 SER CA C 79 57.323 52.501 4.822 1 1 224 . 1 1 1 A 64 64 SER CB C 79 63.306 46.078 17.228 1 1 225 . 1 1 1 A 64 64 SER N N 79 111.856 121.179 -9.323 1 1 226 . 1 1 1 A 65 65 THR H H 80 9.169 8.601 0.568 1 1 227 . 1 1 1 A 65 65 THR CA C 80 65.335 54.858 10.477 1 1 228 . 1 1 1 A 65 65 THR CB C 80 68.216 32.553 35.663 1 1 229 . 1 1 1 A 65 65 THR N N 80 129.658 118.565 11.093 1 1 230 . 1 1 1 A 66 66 GLU H H 81 8.354 8.588 -0.234 1 1 231 . 1 1 1 A 66 66 GLU CA C 81 60.236 57.417 2.819 1 1 232 . 1 1 1 A 66 66 GLU CB C 81 30.136 40.295 -10.159 1 1 233 . 1 1 1 A 66 66 GLU N N 81 123.573 124.128 -0.555 1 1 234 . 1 1 1 A 67 67 ILE H H 82 7.922 7.968 -0.046 1 1 235 . 1 1 1 A 67 67 ILE CA C 82 66.084 59.129 6.955 1 1 236 . 1 1 1 A 67 67 ILE CB C 82 37.806 29.851 7.955 1 1 237 . 1 1 1 A 67 67 ILE N N 82 119.503 118.298 1.205 1 1 238 . 1 1 1 A 68 68 SER H H 83 7.214 8.126 -0.912 1 1 239 . 1 1 1 A 68 68 SER CA C 83 63.512 55.293 8.219 1 1 240 . 1 1 1 A 68 68 SER CB C 83 62.330 29.655 32.675 1 1 241 . 1 1 1 A 68 68 SER N N 83 112.464 115.115 -2.651 1 1 242 . 1 1 1 A 69 69 GLU H H 84 8.224 7.880 0.344 1 1 243 . 1 1 1 A 69 69 GLU CA C 84 59.597 54.274 5.323 1 1 244 . 1 1 1 A 69 69 GLU CB C 84 29.640 30.544 -0.904 1 1 245 . 1 1 1 A 69 69 GLU N N 84 120.267 122.020 -1.753 1 1 247 . 1 1 1 A 70 70 LEU CA C 85 57.423 62.602 -5.179 1 1 248 . 1 1 1 A 70 70 LEU CB C 85 42.942 33.431 9.511 1 1 249 . 1 1 1 A 70 70 LEU N N 85 119.797 142.897 -23.100 1 1 250 . 1 1 1 A 71 71 SER H H 86 8.580 8.598 -0.018 1 1 251 . 1 1 1 A 71 71 SER CA C 86 62.310 55.632 6.678 1 1 252 . 1 1 1 A 71 71 SER CB C 86 62.306 32.698 29.608 1 1 253 . 1 1 1 A 71 71 SER N N 86 114.965 119.959 -4.994 1 1 254 . 1 1 1 A 72 72 HIS H H 87 7.189 7.937 -0.748 1 1 255 . 1 1 1 A 72 72 HIS CA C 87 57.593 52.731 4.862 1 1 256 . 1 1 1 A 72 72 HIS CB C 87 28.816 44.013 -15.197 1 1 257 . 1 1 1 A 72 72 HIS N N 87 119.159 121.729 -2.570 1 1 258 . 1 1 1 A 73 73 ASN H H 88 8.148 8.765 -0.617 1 1 261 . 1 1 1 A 73 73 ASN CA C 88 52.994 58.654 -5.660 1 1 262 . 1 1 1 A 73 73 ASN CB C 88 38.894 29.024 9.870 1 1 263 . 1 1 1 A 73 73 ASN N N 88 116.602 120.102 -3.500 1 1 265 . 1 1 1 A 74 74 PHE H H 89 7.623 7.870 -0.247 1 1 266 . 1 1 1 A 74 74 PHE CA C 89 56.882 56.681 0.201 1 1 267 . 1 1 1 A 74 74 PHE CB C 89 44.873 40.621 4.252 1 1 268 . 1 1 1 A 74 74 PHE N N 89 114.645 118.938 -4.293 1 1 269 . 1 1 1 A 75 75 VAL H H 90 8.952 6.598 2.354 1 1 270 . 1 1 1 A 75 75 VAL CA C 90 63.301 56.801 6.500 1 1 271 . 1 1 1 A 75 75 VAL CB C 90 31.213 40.316 -9.103 1 1 272 . 1 1 1 A 75 75 VAL N N 90 120.004 113.088 6.916 1 1 273 . 1 1 1 A 76 76 MET H H 91 7.486 7.573 -0.087 1 1 274 . 1 1 1 A 76 76 MET CA C 91 53.528 55.777 -2.249 1 1 275 . 1 1 1 A 76 76 MET CB C 91 30.717 64.765 -34.048 1 1 276 . 1 1 1 A 76 76 MET N N 91 129.189 115.396 13.793 1 1 278 . 1 1 1 A 77 77 VAL CA C 92 60.953 65.596 -4.643 1 1 279 . 1 1 1 A 77 77 VAL CB C 92 37.090 31.539 5.551 1 1 280 . 1 1 1 A 77 77 VAL N N 92 122.955 140.477 -17.522 1 1 281 . 1 1 1 A 78 78 ASN H H 93 10.248 7.825 2.423 1 1 283 . 1 1 1 A 78 78 ASN CA C 93 52.125 53.027 -0.902 1 1 284 . 1 1 1 A 78 78 ASN CB C 93 41.857 39.105 2.752 1 1 285 . 1 1 1 A 78 78 ASN N N 93 126.507 116.810 9.697 1 1 287 . 1 1 1 A 79 79 LEU H H 94 9.104 7.286 1.818 1 1 288 . 1 1 1 A 79 79 LEU CA C 94 52.410 45.512 6.898 1 1 290 . 1 1 1 A 79 79 LEU N N 94 123.073 109.131 13.942 1 1 291 . 1 1 1 A 80 80 GLU H H 95 9.161 8.039 1.122 1 1 292 . 1 1 1 A 80 80 GLU CA C 95 53.391 45.046 8.345 1 1 294 . 1 1 1 A 80 80 GLU N N 95 125.765 107.596 18.169 1 1 295 . 1 1 1 A 81 81 ASP H H 96 8.107 7.488 0.619 1 1 296 . 1 1 1 A 81 81 ASP CA C 96 57.563 58.150 -0.587 1 1 297 . 1 1 1 A 81 81 ASP CB C 96 38.605 39.845 -1.240 1 1 298 . 1 1 1 A 81 81 ASP N N 96 126.380 118.847 7.533 1 1 299 . 1 1 1 A 82 82 GLU H H 97 8.836 8.915 -0.079 1 1 300 . 1 1 1 A 82 82 GLU CA C 97 58.555 57.505 1.050 1 1 301 . 1 1 1 A 82 82 GLU CB C 97 28.422 40.587 -12.165 1 1 302 . 1 1 1 A 82 82 GLU N N 97 123.966 113.669 10.297 1 1 304 . 1 1 1 A 83 83 GLU CA C 98 56.619 62.221 -5.602 1 1 305 . 1 1 1 A 83 83 GLU CB C 98 30.722 32.898 -2.176 1 1 306 . 1 1 1 A 83 83 GLU N N 98 118.069 143.891 -25.822 1 1 307 . 1 1 1 A 84 84 GLU H H 99 7.298 7.673 -0.375 1 1 308 . 1 1 1 A 84 84 GLU CA C 99 54.482 54.000 0.482 1 1 309 . 1 1 1 A 84 84 GLU CB C 99 29.535 33.569 -4.034 1 1 310 . 1 1 1 A 84 84 GLU N N 99 119.571 120.939 -1.368 1 1 311 . 1 1 1 A 85 85 PRO CA C 100 62.512 61.926 0.586 1 1 312 . 1 1 1 A 85 85 PRO CB C 100 32.805 39.070 -6.265 1 1 313 . 1 1 1 A 86 86 LYS H H 101 8.640 8.981 -0.341 1 1 314 . 1 1 1 A 86 86 LYS CA C 101 55.615 53.519 2.096 1 1 315 . 1 1 1 A 86 86 LYS CB C 101 31.117 45.222 -14.105 1 1 316 . 1 1 1 A 86 86 LYS N N 101 122.999 129.549 -6.550 1 1 317 . 1 1 1 A 87 87 ASP H H 102 7.395 8.620 -1.225 1 1 318 . 1 1 1 A 87 87 ASP CA C 102 54.233 57.325 -3.092 1 1 319 . 1 1 1 A 87 87 ASP CB C 102 42.084 40.906 1.178 1 1 320 . 1 1 1 A 87 87 ASP N N 102 119.006 123.581 -4.575 1 1 321 . 1 1 1 A 88 88 GLU H H 103 9.217 8.915 0.302 1 1 322 . 1 1 1 A 88 88 GLU CA C 103 58.996 53.576 5.420 1 1 323 . 1 1 1 A 88 88 GLU CB C 103 29.226 45.313 -16.087 1 1 324 . 1 1 1 A 88 88 GLU N N 103 127.412 118.524 8.888 1 1 325 . 1 1 1 A 89 89 ASP H H 104 9.043 8.397 0.646 1 1 326 . 1 1 1 A 89 89 ASP CA C 104 56.138 52.759 3.379 1 1 327 . 1 1 1 A 89 89 ASP CB C 104 39.487 40.190 -0.703 1 1 328 . 1 1 1 A 89 89 ASP N N 104 121.056 119.791 1.265 1 1 330 . 1 1 1 A 90 90 PHE CA C 105 58.124 63.164 -5.040 1 1 331 . 1 1 1 A 90 90 PHE CB C 105 38.909 31.212 7.697 1 1 332 . 1 1 1 A 90 90 PHE N N 105 111.473 138.442 -26.969 1 1 333 . 1 1 1 A 91 91 SER H H 106 7.907 8.335 -0.428 1 1 334 . 1 1 1 A 91 91 SER CA C 106 55.565 58.353 -2.788 1 1 335 . 1 1 1 A 91 91 SER CB C 106 63.139 66.025 -2.886 1 1 336 . 1 1 1 A 91 91 SER N N 106 115.544 114.588 0.956 1 1 337 . 1 1 1 A 92 92 PRO CA C 107 65.329 45.536 19.793 1 1 339 . 1 1 1 A 93 93 ASP H H 108 9.095 7.430 1.665 1 1 340 . 1 1 1 A 93 93 ASP CA C 108 52.726 54.952 -2.226 1 1 341 . 1 1 1 A 93 93 ASP CB C 108 40.551 32.801 7.750 1 1 342 . 1 1 1 A 93 93 ASP N N 108 115.482 120.926 -5.444 1 1 343 . 1 1 1 A 94 94 GLY H H 109 6.947 7.946 -0.999 1 1 344 . 1 1 1 A 94 94 GLY CA C 109 44.385 63.630 -19.245 1 1 345 . 1 1 1 A 94 94 GLY N N 109 106.691 125.490 -18.799 1 1 346 . 1 1 1 A 95 95 GLY H H 110 8.423 8.265 0.158 1 1 347 . 1 1 1 A 95 95 GLY CA C 110 45.873 54.054 -8.181 1 1 348 . 1 1 1 A 95 95 GLY N N 110 107.178 122.549 -15.371 1 1 350 . 1 1 1 A 96 96 TYR CA C 111 55.619 63.470 -7.851 1 1 351 . 1 1 1 A 96 96 TYR CB C 111 38.312 30.495 7.817 1 1 352 . 1 1 1 A 96 96 TYR N N 111 116.246 139.412 -23.166 1 1 353 . 1 1 1 A 97 97 ILE H H 112 7.878 9.311 -1.433 1 1 354 . 1 1 1 A 97 97 ILE CA C 112 58.650 58.263 0.387 1 1 355 . 1 1 1 A 97 97 ILE N N 112 113.713 120.769 -7.056 1 1 356 . 1 1 1 A 98 98 PRO CA C 113 62.337 60.226 2.111 1 1 357 . 1 1 1 A 98 98 PRO CB C 113 34.315 40.845 -6.530 1 1 358 . 1 1 1 A 99 99 ARG H H 114 8.514 8.915 -0.401 1 1 359 . 1 1 1 A 99 99 ARG CA C 114 54.460 58.673 -4.213 1 1 360 . 1 1 1 A 99 99 ARG CB C 114 34.399 40.641 -6.242 1 1 361 . 1 1 1 A 99 99 ARG N N 114 117.550 121.361 -3.811 1 1 362 . 1 1 1 A 100 100 ILE H H 115 8.819 8.369 0.450 1 1 363 . 1 1 1 A 100 100 ILE CA C 115 60.937 51.310 9.627 1 1 364 . 1 1 1 A 100 100 ILE CB C 115 39.021 37.811 1.210 1 1 365 . 1 1 1 A 100 100 ILE N N 115 122.056 121.487 0.569 1 1 366 . 1 1 1 A 101 101 LEU H H 116 8.692 8.496 0.196 1 1 367 . 1 1 1 A 101 101 LEU CA C 116 52.377 59.178 -6.801 1 1 368 . 1 1 1 A 101 101 LEU CB C 116 46.493 29.408 17.085 1 1 369 . 1 1 1 A 101 101 LEU N N 116 127.243 124.946 2.297 1 1 370 . 1 1 1 A 102 102 PHE H H 117 9.004 7.690 1.314 1 1 371 . 1 1 1 A 102 102 PHE CA C 117 57.076 54.287 2.789 1 1 372 . 1 1 1 A 102 102 PHE CB C 117 42.048 38.721 3.327 1 1 373 . 1 1 1 A 102 102 PHE N N 117 116.784 116.870 -0.086 1 1 374 . 1 1 1 A 103 103 LEU H H 118 9.303 8.571 0.732 1 1 375 . 1 1 1 A 103 103 LEU CA C 118 53.487 44.423 9.064 1 1 377 . 1 1 1 A 103 103 LEU N N 118 124.741 108.032 16.709 1 1 378 . 1 1 1 A 104 104 ASP H H 119 8.351 8.683 -0.332 1 1 379 . 1 1 1 A 104 104 ASP CA C 119 52.555 51.964 0.591 1 1 380 . 1 1 1 A 104 104 ASP CB C 119 39.406 37.847 1.559 1 1 381 . 1 1 1 A 104 104 ASP N N 119 117.539 118.486 -0.947 1 1 382 . 1 1 1 A 105 105 PRO CA C 120 65.106 63.819 1.287 1 1 383 . 1 1 1 A 105 105 PRO CB C 120 31.459 31.884 -0.425 1 1 384 . 1 1 1 A 106 106 SER H H 121 8.229 7.994 0.235 1 1 385 . 1 1 1 A 106 106 SER CA C 121 58.891 57.348 1.543 1 1 386 . 1 1 1 A 106 106 SER CB C 121 64.061 64.040 0.021 1 1 387 . 1 1 1 A 106 106 SER N N 121 111.546 115.659 -4.113 1 1 388 . 1 1 1 A 107 107 GLY H H 122 8.970 7.965 1.005 1 1 389 . 1 1 1 A 107 107 GLY CA C 122 45.417 58.780 -13.363 1 1 390 . 1 1 1 A 107 107 GLY N N 122 111.616 121.099 -9.483 1 1 391 . 1 1 1 A 108 108 LYS H H 123 7.405 7.841 -0.436 1 1 392 . 1 1 1 A 108 108 LYS CA C 123 54.729 58.477 -3.748 1 1 393 . 1 1 1 A 108 108 LYS CB C 123 32.929 30.969 1.960 1 1 394 . 1 1 1 A 108 108 LYS N N 123 120.930 116.735 4.195 1 1 395 . 1 1 1 A 109 109 VAL H H 124 8.875 8.315 0.560 1 1 396 . 1 1 1 A 109 109 VAL CA C 124 64.103 60.447 3.656 1 1 397 . 1 1 1 A 109 109 VAL CB C 124 32.249 38.033 -5.784 1 1 398 . 1 1 1 A 109 109 VAL N N 124 126.925 120.075 6.850 1 1 399 . 1 1 1 A 110 110 HIS H H 125 8.911 8.024 0.887 1 1 400 . 1 1 1 A 110 110 HIS CA C 125 54.469 59.755 -5.286 1 1 401 . 1 1 1 A 110 110 HIS CB C 125 28.893 39.825 -10.932 1 1 402 . 1 1 1 A 110 110 HIS N N 125 127.112 121.525 5.587 1 1 403 . 1 1 1 A 111 111 PRO CA C 126 63.311 56.407 6.904 1 1 404 . 1 1 1 A 111 111 PRO CB C 126 32.232 42.086 -9.854 1 1 405 . 1 1 1 A 112 112 GLU H H 127 10.959 8.732 2.227 1 1 406 . 1 1 1 A 112 112 GLU CA C 127 57.439 60.746 -3.307 1 1 407 . 1 1 1 A 112 112 GLU CB C 127 27.174 31.247 -4.073 1 1 408 . 1 1 1 A 112 112 GLU N N 127 123.144 119.410 3.734 1 1 409 . 1 1 1 A 113 113 ILE H H 128 7.493 7.876 -0.383 1 1 410 . 1 1 1 A 113 113 ILE CA C 128 61.518 57.367 4.151 1 1 411 . 1 1 1 A 113 113 ILE CB C 128 35.365 65.839 -30.474 1 1 412 . 1 1 1 A 113 113 ILE N N 128 123.479 116.302 7.177 1 1 413 . 1 1 1 A 114 114 ILE H H 129 8.300 9.013 -0.713 1 1 414 . 1 1 1 A 114 114 ILE CA C 129 59.109 54.729 4.380 1 1 415 . 1 1 1 A 114 114 ILE CB C 129 42.309 18.392 23.917 1 1 416 . 1 1 1 A 114 114 ILE N N 129 123.439 128.194 -4.755 1 1 417 . 1 1 1 A 115 115 ASN H H 130 8.622 7.947 0.675 1 1 420 . 1 1 1 A 115 115 ASN CA C 130 51.381 59.579 -8.198 1 1 421 . 1 1 1 A 115 115 ASN CB C 130 35.215 29.206 6.009 1 1 422 . 1 1 1 A 115 115 ASN N N 130 114.712 119.143 -4.431 1 1 424 . 1 1 1 A 116 116 GLU H H 131 8.463 8.144 0.319 1 1 425 . 1 1 1 A 116 116 GLU CA C 131 58.882 58.826 0.056 1 1 426 . 1 1 1 A 116 116 GLU CB C 131 29.606 28.441 1.165 1 1 427 . 1 1 1 A 116 116 GLU N N 131 127.900 118.655 9.245 1 1 428 . 1 1 1 A 117 117 ASN H H 132 7.545 7.408 0.137 1 1 431 . 1 1 1 A 117 117 ASN CA C 132 52.960 65.075 -12.115 1 1 432 . 1 1 1 A 117 117 ASN CB C 132 39.777 31.010 8.767 1 1 433 . 1 1 1 A 117 117 ASN N N 132 113.958 115.721 -1.763 1 1 435 . 1 1 1 A 118 118 GLY H H 133 7.109 7.667 -0.558 1 1 436 . 1 1 1 A 118 118 GLY CA C 133 44.662 64.833 -20.171 1 1 437 . 1 1 1 A 118 118 GLY N N 133 107.288 122.263 -14.975 1 1 438 . 1 1 1 A 119 119 ASN H H 134 8.795 8.523 0.272 1 1 441 . 1 1 1 A 119 119 ASN CA C 134 50.277 58.382 -8.105 1 1 442 . 1 1 1 A 119 119 ASN CB C 134 40.102 28.083 12.019 1 1 443 . 1 1 1 A 119 119 ASN N N 134 122.889 119.891 2.998 1 1 445 . 1 1 1 A 120 120 PRO CA C 135 64.320 46.491 17.829 1 1 447 . 1 1 1 A 121 121 SER H H 136 8.260 8.105 0.155 1 1 448 . 1 1 1 A 121 121 SER CA C 136 60.199 58.818 1.381 1 1 449 . 1 1 1 A 121 121 SER CB C 136 63.228 33.563 29.665 1 1 450 . 1 1 1 A 121 121 SER N N 136 113.554 119.790 -6.236 1 1 451 . 1 1 1 A 122 122 TYR H H 137 7.580 8.461 -0.881 1 1 452 . 1 1 1 A 122 122 TYR CA C 137 54.584 58.369 -3.785 1 1 453 . 1 1 1 A 122 122 TYR CB C 137 38.872 31.236 7.636 1 1 454 . 1 1 1 A 122 122 TYR N N 137 119.864 118.079 1.785 1 1 455 . 1 1 1 A 123 123 LYS H H 138 9.556 7.786 1.770 1 1 456 . 1 1 1 A 123 123 LYS CA C 138 60.415 58.641 1.774 1 1 457 . 1 1 1 A 123 123 LYS CB C 138 31.945 30.400 1.545 1 1 458 . 1 1 1 A 123 123 LYS N N 138 123.955 118.774 5.181 1 1 459 . 1 1 1 A 124 124 TYR H H 139 8.486 7.734 0.752 1 1 460 . 1 1 1 A 124 124 TYR CA C 139 56.009 54.770 1.239 1 1 461 . 1 1 1 A 124 124 TYR CB C 139 37.666 18.367 19.299 1 1 462 . 1 1 1 A 124 124 TYR N N 139 113.738 122.415 -8.677 1 1 463 . 1 1 1 A 125 125 PHE H H 140 7.562 7.944 -0.382 1 1 464 . 1 1 1 A 125 125 PHE CA C 140 56.561 57.130 -0.569 1 1 465 . 1 1 1 A 125 125 PHE CB C 140 40.897 26.826 14.071 1 1 466 . 1 1 1 A 125 125 PHE N N 140 122.592 115.001 7.591 1 1 467 . 1 1 1 A 126 126 TYR H H 141 8.133 8.541 -0.408 1 1 468 . 1 1 1 A 126 126 TYR CA C 141 57.326 57.903 -0.577 1 1 469 . 1 1 1 A 126 126 TYR CB C 141 41.768 30.422 11.346 1 1 470 . 1 1 1 A 126 126 TYR N N 141 129.225 119.810 9.415 1 1 471 . 1 1 1 A 127 127 VAL H H 142 8.081 7.647 0.434 1 1 472 . 1 1 1 A 127 127 VAL CA C 142 61.414 58.809 2.605 1 1 473 . 1 1 1 A 127 127 VAL CB C 142 34.245 30.844 3.401 1 1 474 . 1 1 1 A 127 127 VAL N N 142 112.892 118.043 -5.151 1 1 475 . 1 1 1 A 128 128 SER H H 143 7.362 8.031 -0.669 1 1 476 . 1 1 1 A 128 128 SER CA C 143 55.028 56.980 -1.952 1 1 477 . 1 1 1 A 128 128 SER CB C 143 67.261 41.638 25.623 1 1 478 . 1 1 1 A 128 128 SER N N 143 112.848 122.345 -9.497 1 1 479 . 1 1 1 A 129 129 ALA H H 144 9.331 7.892 1.439 1 1 480 . 1 1 1 A 129 129 ALA CA C 144 55.568 62.782 -7.214 1 1 481 . 1 1 1 A 129 129 ALA CB C 144 18.005 69.902 -51.897 1 1 482 . 1 1 1 A 129 129 ALA N N 144 124.250 113.968 10.282 1 1 483 . 1 1 1 A 130 130 GLU H H 145 9.152 9.035 0.117 1 1 484 . 1 1 1 A 130 130 GLU CA C 145 60.626 46.095 14.531 1 1 486 . 1 1 1 A 130 130 GLU N N 145 116.980 117.008 -0.028 1 1 487 . 1 1 1 A 131 131 GLN H H 146 7.621 8.692 -1.071 1 1 490 . 1 1 1 A 131 131 GLN CA C 146 58.552 55.619 2.933 1 1 491 . 1 1 1 A 131 131 GLN CB C 146 29.038 39.469 -10.431 1 1 492 . 1 1 1 A 131 131 GLN N N 146 117.565 113.147 4.418 1 1 494 . 1 1 1 A 132 132 VAL H H 147 7.780 7.820 -0.040 1 1 495 . 1 1 1 A 132 132 VAL CA C 147 66.928 51.995 14.933 1 1 496 . 1 1 1 A 132 132 VAL CB C 147 31.324 18.984 12.340 1 1 497 . 1 1 1 A 132 132 VAL N N 147 121.486 119.283 2.203 1 1 498 . 1 1 1 A 133 133 VAL H H 148 8.609 7.856 0.753 1 1 499 . 1 1 1 A 133 133 VAL CA C 148 67.053 57.514 9.539 1 1 500 . 1 1 1 A 133 133 VAL CB C 148 31.927 40.309 -8.382 1 1 501 . 1 1 1 A 133 133 VAL N N 148 119.560 113.346 6.214 1 1 502 . 1 1 1 A 134 134 GLN H H 149 7.365 6.826 0.539 1 1 505 . 1 1 1 A 134 134 GLN CA C 149 59.382 54.770 4.612 1 1 506 . 1 1 1 A 134 134 GLN CB C 149 27.860 27.804 0.056 1 1 507 . 1 1 1 A 134 134 GLN N N 149 117.080 119.976 -2.896 1 1 509 . 1 1 1 A 135 135 GLY H H 150 8.085 8.492 -0.407 1 1 510 . 1 1 1 A 135 135 GLY CA C 150 47.499 58.621 -11.122 1 1 511 . 1 1 1 A 135 135 GLY N N 150 107.849 111.881 -4.032 1 1 512 . 1 1 1 A 136 136 MET H H 151 8.593 8.182 0.411 1 1 513 . 1 1 1 A 136 136 MET CA C 151 59.730 57.044 2.686 1 1 514 . 1 1 1 A 136 136 MET CB C 151 35.435 34.962 0.473 1 1 515 . 1 1 1 A 136 136 MET N N 151 119.390 118.450 0.940 1 1 516 . 1 1 1 A 137 137 LYS H H 152 8.591 8.059 0.532 1 1 517 . 1 1 1 A 137 137 LYS CA C 152 60.659 54.635 6.024 1 1 518 . 1 1 1 A 137 137 LYS CB C 152 32.617 33.794 -1.177 1 1 519 . 1 1 1 A 137 137 LYS N N 152 119.226 115.336 3.890 1 1 520 . 1 1 1 A 138 138 GLU H H 153 7.870 8.786 -0.916 1 1 521 . 1 1 1 A 138 138 GLU CA C 153 59.134 55.028 4.106 1 1 522 . 1 1 1 A 138 138 GLU CB C 153 28.879 43.484 -14.605 1 1 523 . 1 1 1 A 138 138 GLU N N 153 120.709 117.916 2.793 1 1 524 . 1 1 1 A 139 139 ALA H H 154 8.493 7.716 0.777 1 1 525 . 1 1 1 A 139 139 ALA CA C 154 55.450 55.563 -0.113 1 1 526 . 1 1 1 A 139 139 ALA CB C 154 18.695 33.636 -14.941 1 1 527 . 1 1 1 A 139 139 ALA N N 154 120.598 117.670 2.928 1 1 528 . 1 1 1 A 140 140 GLN H H 155 8.582 8.858 -0.276 1 1 531 . 1 1 1 A 140 140 GLN CA C 155 59.239 55.605 3.634 1 1 532 . 1 1 1 A 140 140 GLN CB C 155 28.027 42.490 -14.463 1 1 533 . 1 1 1 A 140 140 GLN N N 155 116.438 119.444 -3.006 1 1 535 . 1 1 1 A 141 141 GLU H H 156 7.563 8.122 -0.559 1 1 536 . 1 1 1 A 141 141 GLU CA C 156 58.896 57.014 1.882 1 1 537 . 1 1 1 A 141 141 GLU CB C 156 29.885 28.740 1.145 1 1 538 . 1 1 1 A 141 141 GLU N N 156 118.759 117.496 1.263 1 1 1 . 2 1 1 A 7 7 HIS CA C 22 56.307 55.418 0.889 1 1 2 . 2 1 1 A 7 7 HIS CB C 22 30.341 28.908 1.433 1 1 3 . 2 1 1 A 8 8 MET H H 23 8.449 8.095 0.354 1 1 4 . 2 1 1 A 8 8 MET CA C 23 55.742 59.803 -4.061 1 1 5 . 2 1 1 A 8 8 MET CB C 23 32.842 37.690 -4.848 1 1 6 . 2 1 1 A 8 8 MET N N 23 122.176 124.902 -2.726 1 1 7 . 2 1 1 A 9 9 SER H H 24 8.428 8.801 -0.373 1 1 8 . 2 1 1 A 9 9 SER CA C 24 58.412 59.691 -1.279 1 1 9 . 2 1 1 A 9 9 SER CB C 24 63.900 29.352 34.548 1 1 10 . 2 1 1 A 9 9 SER N N 24 116.789 124.124 -7.335 1 1 11 . 2 1 1 A 10 10 ASP H H 25 8.382 10.257 -1.875 1 1 12 . 2 1 1 A 10 10 ASP CA C 25 54.487 60.257 -5.770 1 1 13 . 2 1 1 A 10 10 ASP CB C 25 41.285 28.861 12.424 1 1 14 . 2 1 1 A 10 10 ASP N N 25 122.384 119.750 2.634 1 1 15 . 2 1 1 A 11 11 GLY H H 26 8.363 8.665 -0.302 1 1 16 . 2 1 1 A 11 11 GLY CA C 26 45.546 57.973 -12.427 1 1 17 . 2 1 1 A 11 11 GLY N N 26 108.671 116.219 -7.548 1 1 18 . 2 1 1 A 12 12 HIS H H 27 8.350 8.236 0.114 1 1 19 . 2 1 1 A 12 12 HIS CA C 27 56.103 63.519 -7.416 1 1 20 . 2 1 1 A 12 12 HIS CB C 27 29.813 67.627 -37.814 1 1 21 . 2 1 1 A 12 12 HIS N N 27 118.814 110.715 8.099 1 1 22 . 2 1 1 A 13 13 ASN H H 28 8.505 8.792 -0.287 1 1 25 . 2 1 1 A 13 13 ASN CA C 28 53.482 58.401 -4.919 1 1 26 . 2 1 1 A 13 13 ASN CB C 28 39.386 41.645 -2.259 1 1 27 . 2 1 1 A 13 13 ASN N N 28 119.523 125.443 -5.920 1 1 29 . 2 1 1 A 14 14 GLY H H 29 8.743 8.357 0.386 1 1 30 . 2 1 1 A 14 14 GLY CA C 29 45.534 59.097 -13.563 1 1 31 . 2 1 1 A 14 14 GLY N N 29 110.136 119.237 -9.101 1 1 32 . 2 1 1 A 15 15 LEU H H 30 8.466 8.300 0.166 1 1 33 . 2 1 1 A 15 15 LEU CA C 30 56.146 56.888 -0.742 1 1 34 . 2 1 1 A 15 15 LEU CB C 30 42.864 41.620 1.244 1 1 35 . 2 1 1 A 15 15 LEU N N 30 120.511 119.432 1.079 1 1 36 . 2 1 1 A 16 16 GLY H H 31 8.886 8.478 0.408 1 1 37 . 2 1 1 A 16 16 GLY CA C 31 47.064 47.302 -0.238 1 1 38 . 2 1 1 A 16 16 GLY N N 31 108.073 107.349 0.724 1 1 39 . 2 1 1 A 17 17 LYS H H 32 7.854 7.923 -0.069 1 1 40 . 2 1 1 A 17 17 LYS CA C 32 55.661 59.079 -3.418 1 1 41 . 2 1 1 A 17 17 LYS CB C 32 29.379 31.939 -2.560 1 1 42 . 2 1 1 A 17 17 LYS N N 32 110.952 121.438 -10.486 1 1 43 . 2 1 1 A 18 18 GLY H H 33 8.095 7.518 0.577 1 1 44 . 2 1 1 A 18 18 GLY CA C 33 44.893 58.823 -13.930 1 1 45 . 2 1 1 A 18 18 GLY N N 33 103.957 119.603 -15.646 1 1 46 . 2 1 1 A 19 19 PHE H H 34 7.887 7.719 0.168 1 1 47 . 2 1 1 A 19 19 PHE CA C 34 61.146 58.653 2.493 1 1 48 . 2 1 1 A 19 19 PHE CB C 34 38.963 29.718 9.245 1 1 49 . 2 1 1 A 19 19 PHE N N 34 117.883 118.938 -1.055 1 1 50 . 2 1 1 A 20 20 GLY H H 35 7.696 8.329 -0.633 1 1 51 . 2 1 1 A 20 20 GLY CA C 35 45.189 54.881 -9.692 1 1 52 . 2 1 1 A 20 20 GLY N N 35 102.668 121.544 -18.876 1 1 53 . 2 1 1 A 21 21 ASP H H 36 9.284 7.676 1.608 1 1 54 . 2 1 1 A 21 21 ASP CA C 36 56.026 54.889 1.137 1 1 55 . 2 1 1 A 21 21 ASP CB C 36 40.543 18.609 21.934 1 1 56 . 2 1 1 A 21 21 ASP N N 36 129.289 120.453 8.836 1 1 57 . 2 1 1 A 22 22 HIS H H 37 9.058 8.239 0.819 1 1 58 . 2 1 1 A 22 22 HIS CA C 37 56.628 55.285 1.343 1 1 59 . 2 1 1 A 22 22 HIS CB C 37 29.941 18.674 11.267 1 1 60 . 2 1 1 A 22 22 HIS N N 37 116.742 120.571 -3.829 1 1 61 . 2 1 1 A 23 23 ILE H H 38 6.449 7.611 -1.162 1 1 62 . 2 1 1 A 23 23 ILE CA C 38 59.183 59.375 -0.192 1 1 63 . 2 1 1 A 23 23 ILE CB C 38 39.408 63.368 -23.960 1 1 64 . 2 1 1 A 23 23 ILE N N 38 124.704 113.955 10.749 1 1 65 . 2 1 1 A 24 24 HIS H H 39 7.857 8.674 -0.817 1 1 66 . 2 1 1 A 24 24 HIS CA C 39 52.931 46.600 6.331 1 1 68 . 2 1 1 A 24 24 HIS N N 39 124.600 109.758 14.842 1 1 69 . 2 1 1 A 25 25 TRP H H 40 8.032 7.325 0.707 1 1 71 . 2 1 1 A 25 25 TRP CA C 40 57.058 51.307 5.751 1 1 72 . 2 1 1 A 25 25 TRP CB C 40 30.411 43.303 -12.892 1 1 73 . 2 1 1 A 25 25 TRP N N 40 130.002 116.279 13.723 1 1 76 . 2 1 1 A 26 26 ARG CA C 41 54.500 62.222 -7.722 1 1 77 . 2 1 1 A 26 26 ARG CB C 41 35.055 33.019 2.036 1 1 78 . 2 1 1 A 26 26 ARG N N 41 122.005 134.585 -12.580 1 1 79 . 2 1 1 A 27 27 THR H H 42 8.562 7.895 0.667 1 1 80 . 2 1 1 A 27 27 THR CA C 42 61.294 52.219 9.075 1 1 81 . 2 1 1 A 27 27 THR CB C 42 70.325 45.862 24.463 1 1 82 . 2 1 1 A 27 27 THR N N 42 111.261 117.102 -5.841 1 1 83 . 2 1 1 A 28 28 LEU H H 43 8.994 8.567 0.427 1 1 84 . 2 1 1 A 28 28 LEU CA C 43 59.121 53.718 5.403 1 1 85 . 2 1 1 A 28 28 LEU CB C 43 41.515 32.983 8.532 1 1 86 . 2 1 1 A 28 28 LEU N N 43 121.976 120.071 1.905 1 1 87 . 2 1 1 A 29 29 GLU H H 44 8.759 8.199 0.560 1 1 88 . 2 1 1 A 29 29 GLU CA C 44 59.928 62.948 -3.020 1 1 89 . 2 1 1 A 29 29 GLU CB C 44 29.342 31.013 -1.671 1 1 90 . 2 1 1 A 29 29 GLU N N 44 116.492 125.739 -9.247 1 1 91 . 2 1 1 A 30 30 ASP H H 45 7.692 8.627 -0.935 1 1 92 . 2 1 1 A 30 30 ASP CA C 45 57.131 59.961 -2.830 1 1 93 . 2 1 1 A 30 30 ASP CB C 45 40.093 37.920 2.173 1 1 94 . 2 1 1 A 30 30 ASP N N 45 119.105 128.749 -9.644 1 1 95 . 2 1 1 A 31 31 GLY H H 46 9.224 8.878 0.346 1 1 96 . 2 1 1 A 31 31 GLY CA C 46 47.426 59.924 -12.498 1 1 97 . 2 1 1 A 31 31 GLY N N 46 111.508 128.046 -16.538 1 1 98 . 2 1 1 A 32 32 LYS H H 47 8.691 8.554 0.137 1 1 99 . 2 1 1 A 32 32 LYS CA C 47 60.968 53.520 7.448 1 1 100 . 2 1 1 A 32 32 LYS CB C 47 32.534 30.782 1.752 1 1 101 . 2 1 1 A 32 32 LYS N N 47 121.519 121.712 -0.193 1 1 102 . 2 1 1 A 33 33 LYS H H 48 7.234 8.263 -1.029 1 1 103 . 2 1 1 A 33 33 LYS CA C 48 59.734 54.608 5.126 1 1 104 . 2 1 1 A 33 33 LYS CB C 48 32.349 35.321 -2.972 1 1 105 . 2 1 1 A 33 33 LYS N N 48 119.937 126.143 -6.206 1 1 106 . 2 1 1 A 34 34 GLU H H 49 8.179 8.701 -0.522 1 1 107 . 2 1 1 A 34 34 GLU CA C 49 58.911 58.745 0.166 1 1 108 . 2 1 1 A 34 34 GLU CB C 49 29.393 62.225 -32.832 1 1 109 . 2 1 1 A 34 34 GLU N N 49 121.748 117.283 4.465 1 1 110 . 2 1 1 A 35 35 ALA H H 50 9.142 8.177 0.965 1 1 111 . 2 1 1 A 35 35 ALA CA C 50 56.068 56.632 -0.564 1 1 112 . 2 1 1 A 35 35 ALA CB C 50 19.504 28.721 -9.217 1 1 113 . 2 1 1 A 35 35 ALA N N 50 125.093 123.025 2.068 1 1 114 . 2 1 1 A 36 36 ALA H H 51 7.548 8.835 -1.287 1 1 115 . 2 1 1 A 36 36 ALA CA C 51 54.765 58.065 -3.300 1 1 116 . 2 1 1 A 36 36 ALA CB C 51 18.095 29.768 -11.673 1 1 117 . 2 1 1 A 36 36 ALA N N 51 118.057 119.679 -1.622 1 1 118 . 2 1 1 A 37 37 ALA H H 52 7.517 8.783 -1.266 1 1 119 . 2 1 1 A 37 37 ALA CA C 52 54.200 46.557 7.643 1 1 121 . 2 1 1 A 37 37 ALA N N 52 118.541 109.429 9.112 1 1 122 . 2 1 1 A 38 38 SER H H 53 8.330 8.187 0.143 1 1 123 . 2 1 1 A 38 38 SER CA C 53 59.095 54.301 4.794 1 1 124 . 2 1 1 A 38 38 SER CB C 53 65.540 18.344 47.196 1 1 125 . 2 1 1 A 38 38 SER N N 53 110.905 124.342 -13.437 1 1 126 . 2 1 1 A 39 39 GLY H H 54 8.454 7.970 0.484 1 1 127 . 2 1 1 A 39 39 GLY CA C 54 46.559 61.664 -15.105 1 1 128 . 2 1 1 A 39 39 GLY N N 54 112.427 115.645 -3.218 1 1 129 . 2 1 1 A 40 40 LEU H H 55 7.580 8.032 -0.452 1 1 130 . 2 1 1 A 40 40 LEU CA C 55 51.891 59.020 -7.129 1 1 131 . 2 1 1 A 40 40 LEU CB C 55 43.061 32.268 10.793 1 1 132 . 2 1 1 A 40 40 LEU N N 55 121.312 120.244 1.068 1 1 133 . 2 1 1 A 41 41 PRO CA C 56 61.426 55.014 6.412 1 1 134 . 2 1 1 A 41 41 PRO CB C 56 32.878 18.514 14.364 1 1 135 . 2 1 1 A 42 42 LEU H H 57 8.447 7.796 0.651 1 1 136 . 2 1 1 A 42 42 LEU CA C 57 55.025 58.564 -3.539 1 1 137 . 2 1 1 A 42 42 LEU CB C 57 44.360 41.475 2.885 1 1 138 . 2 1 1 A 42 42 LEU N N 57 116.186 117.326 -1.140 1 1 139 . 2 1 1 A 43 43 MET H H 58 8.610 7.804 0.806 1 1 140 . 2 1 1 A 43 43 MET CA C 58 54.951 61.553 -6.602 1 1 141 . 2 1 1 A 43 43 MET CB C 58 34.319 30.974 3.345 1 1 142 . 2 1 1 A 43 43 MET N N 58 124.827 119.665 5.162 1 1 144 . 2 1 1 A 44 44 VAL CA C 59 60.237 64.948 -4.711 1 1 145 . 2 1 1 A 44 44 VAL CB C 59 34.052 31.345 2.707 1 1 146 . 2 1 1 A 44 44 VAL N N 59 125.176 132.450 -7.274 1 1 147 . 2 1 1 A 45 45 ILE H H 60 8.512 8.503 0.009 1 1 148 . 2 1 1 A 45 45 ILE CA C 60 60.138 58.828 1.310 1 1 149 . 2 1 1 A 45 45 ILE CB C 60 40.622 32.988 7.634 1 1 150 . 2 1 1 A 45 45 ILE N N 60 125.614 116.208 9.406 1 1 151 . 2 1 1 A 46 46 ILE H H 61 9.528 8.704 0.824 1 1 152 . 2 1 1 A 46 46 ILE CA C 61 61.356 61.460 -0.104 1 1 153 . 2 1 1 A 46 46 ILE CB C 61 39.017 39.611 -0.594 1 1 154 . 2 1 1 A 46 46 ILE N N 61 130.237 121.112 9.125 1 1 155 . 2 1 1 A 47 47 HIS H H 62 8.926 8.110 0.816 1 1 156 . 2 1 1 A 47 47 HIS CA C 62 54.153 54.746 -0.593 1 1 157 . 2 1 1 A 47 47 HIS CB C 62 35.638 18.342 17.296 1 1 158 . 2 1 1 A 47 47 HIS N N 62 121.634 121.315 0.319 1 1 159 . 2 1 1 A 48 48 LYS H H 63 7.798 8.559 -0.761 1 1 160 . 2 1 1 A 48 48 LYS CA C 63 52.412 58.589 -6.177 1 1 161 . 2 1 1 A 48 48 LYS CB C 63 33.666 29.412 4.254 1 1 162 . 2 1 1 A 48 48 LYS N N 63 116.188 119.255 -3.067 1 1 163 . 2 1 1 A 49 49 SER H H 64 10.807 8.671 2.136 1 1 164 . 2 1 1 A 49 49 SER CA C 64 60.779 60.700 0.079 1 1 165 . 2 1 1 A 49 49 SER CB C 64 62.612 62.133 0.479 1 1 166 . 2 1 1 A 49 49 SER N N 64 121.963 115.831 6.132 1 1 167 . 2 1 1 A 50 50 TRP H H 65 6.564 7.819 -1.255 1 1 169 . 2 1 1 A 50 50 TRP CA C 65 54.246 66.440 -12.194 1 1 170 . 2 1 1 A 50 50 TRP CB C 65 29.500 69.118 -39.618 1 1 171 . 2 1 1 A 50 50 TRP N N 65 115.717 116.517 -0.800 1 1 173 . 2 1 1 A 51 51 CYS H H 66 6.689 7.544 -0.855 1 1 174 . 2 1 1 A 51 51 CYS CA C 66 60.195 58.820 1.375 1 1 175 . 2 1 1 A 51 51 CYS CB C 66 30.909 29.146 1.763 1 1 176 . 2 1 1 A 51 51 CYS N N 66 125.894 119.470 6.424 1 1 177 . 2 1 1 A 52 52 GLY H H 67 9.301 7.750 1.551 1 1 178 . 2 1 1 A 52 52 GLY CA C 67 47.510 63.612 -16.102 1 1 179 . 2 1 1 A 52 52 GLY N N 67 119.542 118.039 1.503 1 1 180 . 2 1 1 A 53 53 ALA H H 68 9.861 8.007 1.854 1 1 181 . 2 1 1 A 53 53 ALA CA C 68 55.404 61.263 -5.859 1 1 182 . 2 1 1 A 53 53 ALA CB C 68 18.521 62.691 -44.170 1 1 183 . 2 1 1 A 53 53 ALA N N 68 133.080 117.770 15.310 1 1 184 . 2 1 1 A 54 54 CYS H H 69 9.891 7.278 2.613 1 1 185 . 2 1 1 A 54 54 CYS CA C 69 64.497 59.011 5.486 1 1 186 . 2 1 1 A 54 54 CYS CB C 69 29.057 29.955 -0.898 1 1 187 . 2 1 1 A 54 54 CYS N N 69 127.404 121.736 5.668 1 1 188 . 2 1 1 A 55 55 LYS H H 70 8.059 7.976 0.083 1 1 189 . 2 1 1 A 55 55 LYS CA C 70 59.840 56.949 2.891 1 1 190 . 2 1 1 A 55 55 LYS CB C 70 32.942 41.425 -8.483 1 1 191 . 2 1 1 A 55 55 LYS N N 70 118.141 120.521 -2.380 1 1 192 . 2 1 1 A 56 56 ALA H H 71 7.517 7.890 -0.373 1 1 193 . 2 1 1 A 56 56 ALA CA C 71 53.989 60.867 -6.878 1 1 194 . 2 1 1 A 56 56 ALA CB C 71 18.501 63.136 -44.635 1 1 195 . 2 1 1 A 56 56 ALA N N 71 118.540 115.747 2.793 1 1 196 . 2 1 1 A 57 57 LEU H H 72 7.351 7.336 0.015 1 1 197 . 2 1 1 A 57 57 LEU CA C 72 56.998 58.233 -1.235 1 1 198 . 2 1 1 A 57 57 LEU CB C 72 42.256 29.317 12.939 1 1 199 . 2 1 1 A 57 57 LEU N N 72 117.293 119.107 -1.814 1 1 200 . 2 1 1 A 58 58 LYS H H 73 7.101 7.165 -0.064 1 1 201 . 2 1 1 A 58 58 LYS CA C 73 62.302 54.821 7.481 1 1 202 . 2 1 1 A 58 58 LYS CB C 73 30.098 39.313 -9.215 1 1 203 . 2 1 1 A 58 58 LYS N N 73 115.956 115.263 0.693 1 1 204 . 2 1 1 A 59 59 PRO CA C 74 65.581 56.434 9.147 1 1 205 . 2 1 1 A 59 59 PRO CB C 74 30.726 40.417 -9.691 1 1 206 . 2 1 1 A 60 60 LYS H H 75 6.694 8.619 -1.925 1 1 207 . 2 1 1 A 60 60 LYS CA C 75 58.353 59.573 -1.220 1 1 208 . 2 1 1 A 60 60 LYS CB C 75 32.606 34.633 -2.027 1 1 209 . 2 1 1 A 60 60 LYS N N 75 115.897 117.084 -1.187 1 1 210 . 2 1 1 A 61 61 PHE H H 76 8.285 8.709 -0.424 1 1 211 . 2 1 1 A 61 61 PHE CA C 76 60.241 54.686 5.555 1 1 212 . 2 1 1 A 61 61 PHE CB C 76 41.785 34.783 7.002 1 1 213 . 2 1 1 A 61 61 PHE N N 76 120.489 123.791 -3.302 1 1 214 . 2 1 1 A 62 62 ALA H H 77 9.036 8.585 0.451 1 1 215 . 2 1 1 A 62 62 ALA CA C 77 55.215 61.769 -6.554 1 1 216 . 2 1 1 A 62 62 ALA CB C 77 19.141 33.385 -14.244 1 1 217 . 2 1 1 A 62 62 ALA N N 77 119.890 120.270 -0.380 1 1 218 . 2 1 1 A 63 63 GLU H H 78 7.541 8.804 -1.263 1 1 219 . 2 1 1 A 63 63 GLU CA C 78 55.965 52.276 3.689 1 1 220 . 2 1 1 A 63 63 GLU CB C 78 29.630 38.702 -9.072 1 1 221 . 2 1 1 A 63 63 GLU N N 78 111.511 126.765 -15.254 1 1 222 . 2 1 1 A 64 64 SER H H 79 6.861 8.427 -1.566 1 1 223 . 2 1 1 A 64 64 SER CA C 79 57.323 52.508 4.815 1 1 224 . 2 1 1 A 64 64 SER CB C 79 63.306 44.608 18.698 1 1 225 . 2 1 1 A 64 64 SER N N 79 111.856 121.840 -9.984 1 1 226 . 2 1 1 A 65 65 THR H H 80 9.169 8.566 0.603 1 1 227 . 2 1 1 A 65 65 THR CA C 80 65.335 54.105 11.230 1 1 228 . 2 1 1 A 65 65 THR CB C 80 68.216 32.593 35.623 1 1 229 . 2 1 1 A 65 65 THR N N 80 129.658 119.047 10.611 1 1 230 . 2 1 1 A 66 66 GLU H H 81 8.354 8.821 -0.467 1 1 231 . 2 1 1 A 66 66 GLU CA C 81 60.236 56.496 3.740 1 1 232 . 2 1 1 A 66 66 GLU CB C 81 30.136 39.684 -9.548 1 1 233 . 2 1 1 A 66 66 GLU N N 81 123.573 121.524 2.049 1 1 234 . 2 1 1 A 67 67 ILE H H 82 7.922 7.920 0.002 1 1 235 . 2 1 1 A 67 67 ILE CA C 82 66.084 59.338 6.746 1 1 236 . 2 1 1 A 67 67 ILE CB C 82 37.806 29.539 8.267 1 1 237 . 2 1 1 A 67 67 ILE N N 82 119.503 118.139 1.364 1 1 238 . 2 1 1 A 68 68 SER H H 83 7.214 8.130 -0.916 1 1 239 . 2 1 1 A 68 68 SER CA C 83 63.512 55.327 8.185 1 1 240 . 2 1 1 A 68 68 SER CB C 83 62.330 30.466 31.864 1 1 241 . 2 1 1 A 68 68 SER N N 83 112.464 119.136 -6.672 1 1 242 . 2 1 1 A 69 69 GLU H H 84 8.224 8.694 -0.470 1 1 243 . 2 1 1 A 69 69 GLU CA C 84 59.597 53.102 6.495 1 1 244 . 2 1 1 A 69 69 GLU CB C 84 29.640 30.178 -0.538 1 1 245 . 2 1 1 A 69 69 GLU N N 84 120.267 124.148 -3.881 1 1 247 . 2 1 1 A 70 70 LEU CA C 85 57.423 62.386 -4.963 1 1 248 . 2 1 1 A 70 70 LEU CB C 85 42.942 33.634 9.308 1 1 249 . 2 1 1 A 70 70 LEU N N 85 119.797 139.530 -19.733 1 1 250 . 2 1 1 A 71 71 SER H H 86 8.580 8.754 -0.174 1 1 251 . 2 1 1 A 71 71 SER CA C 86 62.310 55.596 6.714 1 1 252 . 2 1 1 A 71 71 SER CB C 86 62.306 33.060 29.246 1 1 253 . 2 1 1 A 71 71 SER N N 86 114.965 120.032 -5.067 1 1 254 . 2 1 1 A 72 72 HIS H H 87 7.189 8.216 -1.027 1 1 255 . 2 1 1 A 72 72 HIS CA C 87 57.593 52.819 4.774 1 1 256 . 2 1 1 A 72 72 HIS CB C 87 28.816 44.008 -15.192 1 1 257 . 2 1 1 A 72 72 HIS N N 87 119.159 122.628 -3.469 1 1 258 . 2 1 1 A 73 73 ASN H H 88 8.148 8.853 -0.705 1 1 261 . 2 1 1 A 73 73 ASN CA C 88 52.994 58.748 -5.754 1 1 262 . 2 1 1 A 73 73 ASN CB C 88 38.894 29.138 9.756 1 1 263 . 2 1 1 A 73 73 ASN N N 88 116.602 121.103 -4.501 1 1 265 . 2 1 1 A 74 74 PHE H H 89 7.623 8.034 -0.411 1 1 266 . 2 1 1 A 74 74 PHE CA C 89 56.882 56.571 0.311 1 1 267 . 2 1 1 A 74 74 PHE CB C 89 44.873 40.854 4.019 1 1 268 . 2 1 1 A 74 74 PHE N N 89 114.645 118.786 -4.141 1 1 269 . 2 1 1 A 75 75 VAL H H 90 8.952 6.871 2.081 1 1 270 . 2 1 1 A 75 75 VAL CA C 90 63.301 57.154 6.147 1 1 271 . 2 1 1 A 75 75 VAL CB C 90 31.213 40.293 -9.080 1 1 272 . 2 1 1 A 75 75 VAL N N 90 120.004 112.840 7.164 1 1 273 . 2 1 1 A 76 76 MET H H 91 7.486 7.056 0.430 1 1 274 . 2 1 1 A 76 76 MET CA C 91 53.528 55.423 -1.895 1 1 275 . 2 1 1 A 76 76 MET CB C 91 30.717 63.954 -33.237 1 1 276 . 2 1 1 A 76 76 MET N N 91 129.189 114.563 14.626 1 1 278 . 2 1 1 A 77 77 VAL CA C 92 60.953 65.573 -4.620 1 1 279 . 2 1 1 A 77 77 VAL CB C 92 37.090 31.570 5.520 1 1 280 . 2 1 1 A 77 77 VAL N N 92 122.955 141.324 -18.369 1 1 281 . 2 1 1 A 78 78 ASN H H 93 10.248 8.187 2.061 1 1 283 . 2 1 1 A 78 78 ASN CA C 93 52.125 53.352 -1.227 1 1 284 . 2 1 1 A 78 78 ASN CB C 93 41.857 41.451 0.406 1 1 285 . 2 1 1 A 78 78 ASN N N 93 126.507 116.647 9.860 1 1 287 . 2 1 1 A 79 79 LEU H H 94 9.104 7.611 1.493 1 1 288 . 2 1 1 A 79 79 LEU CA C 94 52.410 44.247 8.163 1 1 290 . 2 1 1 A 79 79 LEU N N 94 123.073 107.758 15.315 1 1 291 . 2 1 1 A 80 80 GLU H H 95 9.161 8.640 0.521 1 1 292 . 2 1 1 A 80 80 GLU CA C 95 53.391 46.087 7.304 1 1 294 . 2 1 1 A 80 80 GLU N N 95 125.765 110.420 15.345 1 1 295 . 2 1 1 A 81 81 ASP H H 96 8.107 7.488 0.619 1 1 296 . 2 1 1 A 81 81 ASP CA C 96 57.563 58.116 -0.553 1 1 297 . 2 1 1 A 81 81 ASP CB C 96 38.605 39.348 -0.743 1 1 298 . 2 1 1 A 81 81 ASP N N 96 126.380 118.075 8.305 1 1 299 . 2 1 1 A 82 82 GLU H H 97 8.836 8.688 0.148 1 1 300 . 2 1 1 A 82 82 GLU CA C 97 58.555 57.352 1.203 1 1 301 . 2 1 1 A 82 82 GLU CB C 97 28.422 40.886 -12.464 1 1 302 . 2 1 1 A 82 82 GLU N N 97 123.966 116.104 7.862 1 1 304 . 2 1 1 A 83 83 GLU CA C 98 56.619 62.630 -6.011 1 1 305 . 2 1 1 A 83 83 GLU CB C 98 30.722 33.004 -2.282 1 1 306 . 2 1 1 A 83 83 GLU N N 98 118.069 142.460 -24.391 1 1 307 . 2 1 1 A 84 84 GLU H H 99 7.298 8.251 -0.953 1 1 308 . 2 1 1 A 84 84 GLU CA C 99 54.482 54.549 -0.067 1 1 309 . 2 1 1 A 84 84 GLU CB C 99 29.535 34.179 -4.644 1 1 310 . 2 1 1 A 84 84 GLU N N 99 119.571 122.054 -2.483 1 1 311 . 2 1 1 A 85 85 PRO CA C 100 62.512 60.243 2.269 1 1 312 . 2 1 1 A 85 85 PRO CB C 100 32.805 40.324 -7.519 1 1 313 . 2 1 1 A 86 86 LYS H H 101 8.640 8.900 -0.260 1 1 314 . 2 1 1 A 86 86 LYS CA C 101 55.615 53.218 2.397 1 1 315 . 2 1 1 A 86 86 LYS CB C 101 31.117 45.587 -14.470 1 1 316 . 2 1 1 A 86 86 LYS N N 101 122.999 126.959 -3.960 1 1 317 . 2 1 1 A 87 87 ASP H H 102 7.395 8.698 -1.303 1 1 318 . 2 1 1 A 87 87 ASP CA C 102 54.233 57.944 -3.711 1 1 319 . 2 1 1 A 87 87 ASP CB C 102 42.084 40.519 1.565 1 1 320 . 2 1 1 A 87 87 ASP N N 102 119.006 121.382 -2.376 1 1 321 . 2 1 1 A 88 88 GLU H H 103 9.217 8.267 0.950 1 1 322 . 2 1 1 A 88 88 GLU CA C 103 58.996 53.428 5.568 1 1 323 . 2 1 1 A 88 88 GLU CB C 103 29.226 44.575 -15.349 1 1 324 . 2 1 1 A 88 88 GLU N N 103 127.412 117.758 9.654 1 1 325 . 2 1 1 A 89 89 ASP H H 104 9.043 8.361 0.682 1 1 326 . 2 1 1 A 89 89 ASP CA C 104 56.138 52.724 3.414 1 1 327 . 2 1 1 A 89 89 ASP CB C 104 39.487 40.166 -0.679 1 1 328 . 2 1 1 A 89 89 ASP N N 104 121.056 119.482 1.574 1 1 330 . 2 1 1 A 90 90 PHE CA C 105 58.124 63.096 -4.972 1 1 331 . 2 1 1 A 90 90 PHE CB C 105 38.909 31.106 7.803 1 1 332 . 2 1 1 A 90 90 PHE N N 105 111.473 138.423 -26.950 1 1 333 . 2 1 1 A 91 91 SER H H 106 7.907 8.229 -0.322 1 1 334 . 2 1 1 A 91 91 SER CA C 106 55.565 58.238 -2.673 1 1 335 . 2 1 1 A 91 91 SER CB C 106 63.139 65.187 -2.048 1 1 336 . 2 1 1 A 91 91 SER N N 106 115.544 114.458 1.086 1 1 337 . 2 1 1 A 92 92 PRO CA C 107 65.329 45.314 20.015 1 1 339 . 2 1 1 A 93 93 ASP H H 108 9.095 7.374 1.721 1 1 340 . 2 1 1 A 93 93 ASP CA C 108 52.726 54.810 -2.084 1 1 341 . 2 1 1 A 93 93 ASP CB C 108 40.551 31.917 8.634 1 1 342 . 2 1 1 A 93 93 ASP N N 108 115.482 120.012 -4.530 1 1 343 . 2 1 1 A 94 94 GLY H H 109 6.947 7.839 -0.892 1 1 344 . 2 1 1 A 94 94 GLY CA C 109 44.385 63.521 -19.136 1 1 345 . 2 1 1 A 94 94 GLY N N 109 106.691 123.916 -17.225 1 1 346 . 2 1 1 A 95 95 GLY H H 110 8.423 8.273 0.150 1 1 347 . 2 1 1 A 95 95 GLY CA C 110 45.873 53.104 -7.231 1 1 348 . 2 1 1 A 95 95 GLY N N 110 107.178 124.028 -16.850 1 1 350 . 2 1 1 A 96 96 TYR CA C 111 55.619 63.377 -7.758 1 1 351 . 2 1 1 A 96 96 TYR CB C 111 38.312 30.204 8.108 1 1 352 . 2 1 1 A 96 96 TYR N N 111 116.246 137.173 -20.927 1 1 353 . 2 1 1 A 97 97 ILE H H 112 7.878 9.357 -1.479 1 1 354 . 2 1 1 A 97 97 ILE CA C 112 58.650 58.579 0.071 1 1 355 . 2 1 1 A 97 97 ILE N N 112 113.713 120.457 -6.744 1 1 356 . 2 1 1 A 98 98 PRO CA C 113 62.337 60.833 1.504 1 1 357 . 2 1 1 A 98 98 PRO CB C 113 34.315 36.548 -2.233 1 1 358 . 2 1 1 A 99 99 ARG H H 114 8.514 8.902 -0.388 1 1 359 . 2 1 1 A 99 99 ARG CA C 114 54.460 58.866 -4.406 1 1 360 . 2 1 1 A 99 99 ARG CB C 114 34.399 40.343 -5.944 1 1 361 . 2 1 1 A 99 99 ARG N N 114 117.550 121.913 -4.363 1 1 362 . 2 1 1 A 100 100 ILE H H 115 8.819 8.657 0.162 1 1 363 . 2 1 1 A 100 100 ILE CA C 115 60.937 51.898 9.039 1 1 364 . 2 1 1 A 100 100 ILE CB C 115 39.021 36.800 2.221 1 1 365 . 2 1 1 A 100 100 ILE N N 115 122.056 120.956 1.100 1 1 366 . 2 1 1 A 101 101 LEU H H 116 8.692 8.075 0.617 1 1 367 . 2 1 1 A 101 101 LEU CA C 116 52.377 59.429 -7.052 1 1 368 . 2 1 1 A 101 101 LEU CB C 116 46.493 29.452 17.041 1 1 369 . 2 1 1 A 101 101 LEU N N 116 127.243 125.176 2.067 1 1 370 . 2 1 1 A 102 102 PHE H H 117 9.004 7.871 1.133 1 1 371 . 2 1 1 A 102 102 PHE CA C 117 57.076 52.826 4.250 1 1 372 . 2 1 1 A 102 102 PHE CB C 117 42.048 38.623 3.425 1 1 373 . 2 1 1 A 102 102 PHE N N 117 116.784 117.434 -0.650 1 1 374 . 2 1 1 A 103 103 LEU H H 118 9.303 8.487 0.816 1 1 375 . 2 1 1 A 103 103 LEU CA C 118 53.487 44.045 9.442 1 1 377 . 2 1 1 A 103 103 LEU N N 118 124.741 107.987 16.754 1 1 378 . 2 1 1 A 104 104 ASP H H 119 8.351 8.335 0.016 1 1 379 . 2 1 1 A 104 104 ASP CA C 119 52.555 51.787 0.768 1 1 380 . 2 1 1 A 104 104 ASP CB C 119 39.406 38.470 0.936 1 1 381 . 2 1 1 A 104 104 ASP N N 119 117.539 118.185 -0.646 1 1 382 . 2 1 1 A 105 105 PRO CA C 120 65.106 63.153 1.953 1 1 383 . 2 1 1 A 105 105 PRO CB C 120 31.459 30.390 1.069 1 1 384 . 2 1 1 A 106 106 SER H H 121 8.229 7.833 0.396 1 1 385 . 2 1 1 A 106 106 SER CA C 121 58.891 57.314 1.577 1 1 386 . 2 1 1 A 106 106 SER CB C 121 64.061 63.788 0.273 1 1 387 . 2 1 1 A 106 106 SER N N 121 111.546 115.733 -4.187 1 1 388 . 2 1 1 A 107 107 GLY H H 122 8.970 8.041 0.929 1 1 389 . 2 1 1 A 107 107 GLY CA C 122 45.417 58.938 -13.521 1 1 390 . 2 1 1 A 107 107 GLY N N 122 111.616 121.233 -9.617 1 1 391 . 2 1 1 A 108 108 LYS H H 123 7.405 7.770 -0.365 1 1 392 . 2 1 1 A 108 108 LYS CA C 123 54.729 58.437 -3.708 1 1 393 . 2 1 1 A 108 108 LYS CB C 123 32.929 31.066 1.863 1 1 394 . 2 1 1 A 108 108 LYS N N 123 120.930 117.738 3.192 1 1 395 . 2 1 1 A 109 109 VAL H H 124 8.875 8.223 0.652 1 1 396 . 2 1 1 A 109 109 VAL CA C 124 64.103 60.826 3.277 1 1 397 . 2 1 1 A 109 109 VAL CB C 124 32.249 38.478 -6.229 1 1 398 . 2 1 1 A 109 109 VAL N N 124 126.925 120.101 6.824 1 1 399 . 2 1 1 A 110 110 HIS H H 125 8.911 7.334 1.577 1 1 400 . 2 1 1 A 110 110 HIS CA C 125 54.469 57.461 -2.992 1 1 401 . 2 1 1 A 110 110 HIS CB C 125 28.893 38.719 -9.826 1 1 402 . 2 1 1 A 110 110 HIS N N 125 127.112 122.368 4.744 1 1 403 . 2 1 1 A 111 111 PRO CA C 126 63.311 56.429 6.882 1 1 404 . 2 1 1 A 111 111 PRO CB C 126 32.232 37.766 -5.534 1 1 405 . 2 1 1 A 112 112 GLU H H 127 10.959 8.267 2.692 1 1 406 . 2 1 1 A 112 112 GLU CA C 127 57.439 60.927 -3.488 1 1 407 . 2 1 1 A 112 112 GLU CB C 127 27.174 29.928 -2.754 1 1 408 . 2 1 1 A 112 112 GLU N N 127 123.144 126.776 -3.632 1 1 409 . 2 1 1 A 113 113 ILE H H 128 7.493 7.831 -0.338 1 1 410 . 2 1 1 A 113 113 ILE CA C 128 61.518 57.608 3.910 1 1 411 . 2 1 1 A 113 113 ILE CB C 128 35.365 65.319 -29.954 1 1 412 . 2 1 1 A 113 113 ILE N N 128 123.479 118.313 5.166 1 1 413 . 2 1 1 A 114 114 ILE H H 129 8.300 8.955 -0.655 1 1 414 . 2 1 1 A 114 114 ILE CA C 129 59.109 54.992 4.117 1 1 415 . 2 1 1 A 114 114 ILE CB C 129 42.309 18.201 24.108 1 1 416 . 2 1 1 A 114 114 ILE N N 129 123.439 126.563 -3.124 1 1 417 . 2 1 1 A 115 115 ASN H H 130 8.622 8.253 0.369 1 1 420 . 2 1 1 A 115 115 ASN CA C 130 51.381 59.257 -7.876 1 1 421 . 2 1 1 A 115 115 ASN CB C 130 35.215 29.497 5.718 1 1 422 . 2 1 1 A 115 115 ASN N N 130 114.712 116.626 -1.914 1 1 424 . 2 1 1 A 116 116 GLU H H 131 8.463 8.106 0.357 1 1 425 . 2 1 1 A 116 116 GLU CA C 131 58.882 58.808 0.074 1 1 426 . 2 1 1 A 116 116 GLU CB C 131 29.606 28.507 1.099 1 1 427 . 2 1 1 A 116 116 GLU N N 131 127.900 118.684 9.216 1 1 428 . 2 1 1 A 117 117 ASN H H 132 7.545 8.018 -0.473 1 1 431 . 2 1 1 A 117 117 ASN CA C 132 52.960 64.802 -11.842 1 1 432 . 2 1 1 A 117 117 ASN CB C 132 39.777 31.216 8.561 1 1 433 . 2 1 1 A 117 117 ASN N N 132 113.958 119.675 -5.717 1 1 435 . 2 1 1 A 118 118 GLY H H 133 7.109 7.534 -0.425 1 1 436 . 2 1 1 A 118 118 GLY CA C 133 44.662 64.763 -20.101 1 1 437 . 2 1 1 A 118 118 GLY N N 133 107.288 119.739 -12.451 1 1 438 . 2 1 1 A 119 119 ASN H H 134 8.795 8.797 -0.002 1 1 441 . 2 1 1 A 119 119 ASN CA C 134 50.277 58.240 -7.963 1 1 442 . 2 1 1 A 119 119 ASN CB C 134 40.102 28.156 11.946 1 1 443 . 2 1 1 A 119 119 ASN N N 134 122.889 120.032 2.857 1 1 445 . 2 1 1 A 120 120 PRO CA C 135 64.320 47.142 17.178 1 1 447 . 2 1 1 A 121 121 SER H H 136 8.260 7.844 0.416 1 1 448 . 2 1 1 A 121 121 SER CA C 136 60.199 58.603 1.596 1 1 449 . 2 1 1 A 121 121 SER CB C 136 63.228 32.779 30.449 1 1 450 . 2 1 1 A 121 121 SER N N 136 113.554 119.806 -6.252 1 1 451 . 2 1 1 A 122 122 TYR H H 137 7.580 8.215 -0.635 1 1 452 . 2 1 1 A 122 122 TYR CA C 137 54.584 58.513 -3.929 1 1 453 . 2 1 1 A 122 122 TYR CB C 137 38.872 31.397 7.475 1 1 454 . 2 1 1 A 122 122 TYR N N 137 119.864 118.378 1.486 1 1 455 . 2 1 1 A 123 123 LYS H H 138 9.556 7.715 1.841 1 1 456 . 2 1 1 A 123 123 LYS CA C 138 60.415 59.097 1.318 1 1 457 . 2 1 1 A 123 123 LYS CB C 138 31.945 30.001 1.944 1 1 458 . 2 1 1 A 123 123 LYS N N 138 123.955 119.959 3.996 1 1 459 . 2 1 1 A 124 124 TYR H H 139 8.486 7.714 0.772 1 1 460 . 2 1 1 A 124 124 TYR CA C 139 56.009 54.112 1.897 1 1 461 . 2 1 1 A 124 124 TYR CB C 139 37.666 18.622 19.044 1 1 462 . 2 1 1 A 124 124 TYR N N 139 113.738 121.550 -7.812 1 1 463 . 2 1 1 A 125 125 PHE H H 140 7.562 7.959 -0.397 1 1 464 . 2 1 1 A 125 125 PHE CA C 140 56.561 58.498 -1.937 1 1 465 . 2 1 1 A 125 125 PHE CB C 140 40.897 28.663 12.234 1 1 466 . 2 1 1 A 125 125 PHE N N 140 122.592 118.208 4.384 1 1 467 . 2 1 1 A 126 126 TYR H H 141 8.133 7.862 0.271 1 1 468 . 2 1 1 A 126 126 TYR CA C 141 57.326 57.309 0.017 1 1 469 . 2 1 1 A 126 126 TYR CB C 141 41.768 31.239 10.529 1 1 470 . 2 1 1 A 126 126 TYR N N 141 129.225 116.860 12.365 1 1 471 . 2 1 1 A 127 127 VAL H H 142 8.081 7.674 0.407 1 1 472 . 2 1 1 A 127 127 VAL CA C 142 61.414 58.403 3.011 1 1 473 . 2 1 1 A 127 127 VAL CB C 142 34.245 30.462 3.783 1 1 474 . 2 1 1 A 127 127 VAL N N 142 112.892 119.750 -6.858 1 1 475 . 2 1 1 A 128 128 SER H H 143 7.362 8.242 -0.880 1 1 476 . 2 1 1 A 128 128 SER CA C 143 55.028 57.212 -2.184 1 1 477 . 2 1 1 A 128 128 SER CB C 143 67.261 42.459 24.802 1 1 478 . 2 1 1 A 128 128 SER N N 143 112.848 122.403 -9.555 1 1 479 . 2 1 1 A 129 129 ALA H H 144 9.331 7.460 1.871 1 1 480 . 2 1 1 A 129 129 ALA CA C 144 55.568 62.932 -7.364 1 1 481 . 2 1 1 A 129 129 ALA CB C 144 18.005 67.977 -49.972 1 1 482 . 2 1 1 A 129 129 ALA N N 144 124.250 108.291 15.959 1 1 483 . 2 1 1 A 130 130 GLU H H 145 9.152 8.645 0.507 1 1 484 . 2 1 1 A 130 130 GLU CA C 145 60.626 45.355 15.271 1 1 486 . 2 1 1 A 130 130 GLU N N 145 116.980 112.840 4.140 1 1 487 . 2 1 1 A 131 131 GLN H H 146 7.621 8.575 -0.954 1 1 490 . 2 1 1 A 131 131 GLN CA C 146 58.552 53.150 5.402 1 1 491 . 2 1 1 A 131 131 GLN CB C 146 29.038 42.038 -13.000 1 1 492 . 2 1 1 A 131 131 GLN N N 146 117.565 125.433 -7.868 1 1 494 . 2 1 1 A 132 132 VAL H H 147 7.780 8.076 -0.296 1 1 495 . 2 1 1 A 132 132 VAL CA C 147 66.928 54.242 12.686 1 1 496 . 2 1 1 A 132 132 VAL CB C 147 31.324 18.902 12.422 1 1 497 . 2 1 1 A 132 132 VAL N N 147 121.486 122.275 -0.789 1 1 498 . 2 1 1 A 133 133 VAL H H 148 8.609 7.965 0.644 1 1 499 . 2 1 1 A 133 133 VAL CA C 148 67.053 60.852 6.201 1 1 500 . 2 1 1 A 133 133 VAL CB C 148 31.927 37.700 -5.773 1 1 501 . 2 1 1 A 133 133 VAL N N 148 119.560 114.256 5.304 1 1 502 . 2 1 1 A 134 134 GLN H H 149 7.365 6.700 0.665 1 1 505 . 2 1 1 A 134 134 GLN CA C 149 59.382 56.133 3.249 1 1 506 . 2 1 1 A 134 134 GLN CB C 149 27.860 30.408 -2.548 1 1 507 . 2 1 1 A 134 134 GLN N N 149 117.080 121.568 -4.488 1 1 509 . 2 1 1 A 135 135 GLY H H 150 8.085 8.560 -0.475 1 1 510 . 2 1 1 A 135 135 GLY CA C 150 47.499 56.236 -8.737 1 1 511 . 2 1 1 A 135 135 GLY N N 150 107.849 124.952 -17.103 1 1 512 . 2 1 1 A 136 136 MET H H 151 8.593 9.208 -0.615 1 1 513 . 2 1 1 A 136 136 MET CA C 151 59.730 57.937 1.793 1 1 514 . 2 1 1 A 136 136 MET CB C 151 35.435 31.756 3.679 1 1 515 . 2 1 1 A 136 136 MET N N 151 119.390 120.525 -1.135 1 1 516 . 2 1 1 A 137 137 LYS H H 152 8.591 8.426 0.165 1 1 517 . 2 1 1 A 137 137 LYS CA C 152 60.659 56.770 3.889 1 1 518 . 2 1 1 A 137 137 LYS CB C 152 32.617 27.210 5.407 1 1 519 . 2 1 1 A 137 137 LYS N N 152 119.226 116.197 3.029 1 1 520 . 2 1 1 A 138 138 GLU H H 153 7.870 7.727 0.143 1 1 521 . 2 1 1 A 138 138 GLU CA C 153 59.134 55.950 3.184 1 1 522 . 2 1 1 A 138 138 GLU CB C 153 28.879 44.879 -16.000 1 1 523 . 2 1 1 A 138 138 GLU N N 153 120.709 118.635 2.074 1 1 524 . 2 1 1 A 139 139 ALA H H 154 8.493 7.613 0.880 1 1 525 . 2 1 1 A 139 139 ALA CA C 154 55.450 56.147 -0.697 1 1 526 . 2 1 1 A 139 139 ALA CB C 154 18.695 30.772 -12.077 1 1 527 . 2 1 1 A 139 139 ALA N N 154 120.598 119.976 0.622 1 1 528 . 2 1 1 A 140 140 GLN H H 155 8.582 8.791 -0.209 1 1 531 . 2 1 1 A 140 140 GLN CA C 155 59.239 56.442 2.797 1 1 532 . 2 1 1 A 140 140 GLN CB C 155 28.027 39.618 -11.591 1 1 533 . 2 1 1 A 140 140 GLN N N 155 116.438 120.237 -3.799 1 1 535 . 2 1 1 A 141 141 GLU H H 156 7.563 8.662 -1.099 1 1 536 . 2 1 1 A 141 141 GLU CA C 156 58.896 56.913 1.983 1 1 537 . 2 1 1 A 141 141 GLU CB C 156 29.885 31.970 -2.085 1 1 538 . 2 1 1 A 141 141 GLU N N 156 118.759 117.849 0.910 1 1 1 . 3 1 1 A 7 7 HIS CA C 22 56.307 59.096 -2.789 1 1 2 . 3 1 1 A 7 7 HIS CB C 22 30.341 30.157 0.184 1 1 3 . 3 1 1 A 8 8 MET H H 23 8.449 7.718 0.731 1 1 4 . 3 1 1 A 8 8 MET CA C 23 55.742 62.795 -7.053 1 1 5 . 3 1 1 A 8 8 MET CB C 23 32.842 36.126 -3.284 1 1 6 . 3 1 1 A 8 8 MET N N 23 122.176 118.765 3.411 1 1 7 . 3 1 1 A 9 9 SER H H 24 8.428 6.673 1.755 1 1 8 . 3 1 1 A 9 9 SER CA C 24 58.412 55.135 3.277 1 1 9 . 3 1 1 A 9 9 SER CB C 24 63.900 28.658 35.242 1 1 10 . 3 1 1 A 9 9 SER N N 24 116.789 124.236 -7.447 1 1 11 . 3 1 1 A 10 10 ASP H H 25 8.382 7.492 0.890 1 1 12 . 3 1 1 A 10 10 ASP CA C 25 54.487 56.588 -2.101 1 1 13 . 3 1 1 A 10 10 ASP CB C 25 41.285 31.692 9.593 1 1 14 . 3 1 1 A 10 10 ASP N N 25 122.384 118.197 4.187 1 1 15 . 3 1 1 A 11 11 GLY H H 26 8.363 7.852 0.511 1 1 16 . 3 1 1 A 11 11 GLY CA C 26 45.546 58.719 -13.173 1 1 17 . 3 1 1 A 11 11 GLY N N 26 108.671 121.168 -12.497 1 1 18 . 3 1 1 A 12 12 HIS H H 27 8.350 7.520 0.830 1 1 19 . 3 1 1 A 12 12 HIS CA C 27 56.103 61.104 -5.001 1 1 20 . 3 1 1 A 12 12 HIS CB C 27 29.813 70.889 -41.076 1 1 21 . 3 1 1 A 12 12 HIS N N 27 118.814 107.215 11.599 1 1 22 . 3 1 1 A 13 13 ASN H H 28 8.505 8.815 -0.310 1 1 25 . 3 1 1 A 13 13 ASN CA C 28 53.482 58.495 -5.013 1 1 26 . 3 1 1 A 13 13 ASN CB C 28 39.386 41.663 -2.277 1 1 27 . 3 1 1 A 13 13 ASN N N 28 119.523 124.529 -5.006 1 1 29 . 3 1 1 A 14 14 GLY H H 29 8.743 8.424 0.319 1 1 30 . 3 1 1 A 14 14 GLY CA C 29 45.534 60.154 -14.620 1 1 31 . 3 1 1 A 14 14 GLY N N 29 110.136 118.635 -8.499 1 1 32 . 3 1 1 A 15 15 LEU H H 30 8.466 8.289 0.177 1 1 33 . 3 1 1 A 15 15 LEU CA C 30 56.146 56.846 -0.700 1 1 34 . 3 1 1 A 15 15 LEU CB C 30 42.864 40.401 2.463 1 1 35 . 3 1 1 A 15 15 LEU N N 30 120.511 118.559 1.952 1 1 36 . 3 1 1 A 16 16 GLY H H 31 8.886 8.302 0.584 1 1 37 . 3 1 1 A 16 16 GLY CA C 31 47.064 47.228 -0.164 1 1 38 . 3 1 1 A 16 16 GLY N N 31 108.073 108.652 -0.579 1 1 39 . 3 1 1 A 17 17 LYS H H 32 7.854 8.026 -0.172 1 1 40 . 3 1 1 A 17 17 LYS CA C 32 55.661 59.088 -3.427 1 1 41 . 3 1 1 A 17 17 LYS CB C 32 29.379 31.845 -2.466 1 1 42 . 3 1 1 A 17 17 LYS N N 32 110.952 121.244 -10.292 1 1 43 . 3 1 1 A 18 18 GLY H H 33 8.095 7.726 0.369 1 1 44 . 3 1 1 A 18 18 GLY CA C 33 44.893 59.568 -14.675 1 1 45 . 3 1 1 A 18 18 GLY N N 33 103.957 119.645 -15.688 1 1 46 . 3 1 1 A 19 19 PHE H H 34 7.887 8.118 -0.231 1 1 47 . 3 1 1 A 19 19 PHE CA C 34 61.146 58.912 2.234 1 1 48 . 3 1 1 A 19 19 PHE CB C 34 38.963 29.051 9.912 1 1 49 . 3 1 1 A 19 19 PHE N N 34 117.883 118.507 -0.624 1 1 50 . 3 1 1 A 20 20 GLY H H 35 7.696 8.204 -0.508 1 1 51 . 3 1 1 A 20 20 GLY CA C 35 45.189 54.814 -9.625 1 1 52 . 3 1 1 A 20 20 GLY N N 35 102.668 121.776 -19.108 1 1 53 . 3 1 1 A 21 21 ASP H H 36 9.284 7.683 1.601 1 1 54 . 3 1 1 A 21 21 ASP CA C 36 56.026 54.917 1.109 1 1 55 . 3 1 1 A 21 21 ASP CB C 36 40.543 18.494 22.049 1 1 56 . 3 1 1 A 21 21 ASP N N 36 129.289 120.324 8.965 1 1 57 . 3 1 1 A 22 22 HIS H H 37 9.058 8.128 0.930 1 1 58 . 3 1 1 A 22 22 HIS CA C 37 56.628 55.278 1.350 1 1 59 . 3 1 1 A 22 22 HIS CB C 37 29.941 18.623 11.318 1 1 60 . 3 1 1 A 22 22 HIS N N 37 116.742 120.465 -3.723 1 1 61 . 3 1 1 A 23 23 ILE H H 38 6.449 7.623 -1.174 1 1 62 . 3 1 1 A 23 23 ILE CA C 38 59.183 59.716 -0.533 1 1 63 . 3 1 1 A 23 23 ILE CB C 38 39.408 63.526 -24.118 1 1 64 . 3 1 1 A 23 23 ILE N N 38 124.704 114.143 10.561 1 1 65 . 3 1 1 A 24 24 HIS H H 39 7.857 8.660 -0.803 1 1 66 . 3 1 1 A 24 24 HIS CA C 39 52.931 46.303 6.628 1 1 68 . 3 1 1 A 24 24 HIS N N 39 124.600 109.582 15.018 1 1 69 . 3 1 1 A 25 25 TRP H H 40 8.032 7.692 0.340 1 1 71 . 3 1 1 A 25 25 TRP CA C 40 57.058 51.477 5.581 1 1 72 . 3 1 1 A 25 25 TRP CB C 40 30.411 43.302 -12.891 1 1 73 . 3 1 1 A 25 25 TRP N N 40 130.002 117.227 12.775 1 1 76 . 3 1 1 A 26 26 ARG CA C 41 54.500 62.421 -7.921 1 1 77 . 3 1 1 A 26 26 ARG CB C 41 35.055 32.458 2.597 1 1 78 . 3 1 1 A 26 26 ARG N N 41 122.005 135.977 -13.972 1 1 79 . 3 1 1 A 27 27 THR H H 42 8.562 7.906 0.656 1 1 80 . 3 1 1 A 27 27 THR CA C 42 61.294 52.754 8.540 1 1 81 . 3 1 1 A 27 27 THR CB C 42 70.325 44.747 25.578 1 1 82 . 3 1 1 A 27 27 THR N N 42 111.261 118.311 -7.050 1 1 83 . 3 1 1 A 28 28 LEU H H 43 8.994 8.999 -0.005 1 1 84 . 3 1 1 A 28 28 LEU CA C 43 59.121 53.529 5.592 1 1 85 . 3 1 1 A 28 28 LEU CB C 43 41.515 32.573 8.942 1 1 86 . 3 1 1 A 28 28 LEU N N 43 121.976 122.167 -0.191 1 1 87 . 3 1 1 A 29 29 GLU H H 44 8.759 7.997 0.762 1 1 88 . 3 1 1 A 29 29 GLU CA C 44 59.928 62.477 -2.549 1 1 89 . 3 1 1 A 29 29 GLU CB C 44 29.342 30.415 -1.073 1 1 90 . 3 1 1 A 29 29 GLU N N 44 116.492 124.846 -8.354 1 1 91 . 3 1 1 A 30 30 ASP H H 45 7.692 9.379 -1.687 1 1 92 . 3 1 1 A 30 30 ASP CA C 45 57.131 60.068 -2.937 1 1 93 . 3 1 1 A 30 30 ASP CB C 45 40.093 38.729 1.364 1 1 94 . 3 1 1 A 30 30 ASP N N 45 119.105 128.600 -9.495 1 1 95 . 3 1 1 A 31 31 GLY H H 46 9.224 8.836 0.388 1 1 96 . 3 1 1 A 31 31 GLY CA C 46 47.426 60.066 -12.640 1 1 97 . 3 1 1 A 31 31 GLY N N 46 111.508 127.167 -15.659 1 1 98 . 3 1 1 A 32 32 LYS H H 47 8.691 8.806 -0.115 1 1 99 . 3 1 1 A 32 32 LYS CA C 47 60.968 53.584 7.384 1 1 100 . 3 1 1 A 32 32 LYS CB C 47 32.534 32.399 0.135 1 1 101 . 3 1 1 A 32 32 LYS N N 47 121.519 122.816 -1.297 1 1 102 . 3 1 1 A 33 33 LYS H H 48 7.234 8.819 -1.585 1 1 103 . 3 1 1 A 33 33 LYS CA C 48 59.734 54.599 5.135 1 1 104 . 3 1 1 A 33 33 LYS CB C 48 32.349 35.816 -3.467 1 1 105 . 3 1 1 A 33 33 LYS N N 48 119.937 123.308 -3.371 1 1 106 . 3 1 1 A 34 34 GLU H H 49 8.179 8.695 -0.516 1 1 107 . 3 1 1 A 34 34 GLU CA C 49 58.911 58.929 -0.018 1 1 108 . 3 1 1 A 34 34 GLU CB C 49 29.393 63.065 -33.672 1 1 109 . 3 1 1 A 34 34 GLU N N 49 121.748 116.275 5.473 1 1 110 . 3 1 1 A 35 35 ALA H H 50 9.142 8.823 0.319 1 1 111 . 3 1 1 A 35 35 ALA CA C 50 56.068 60.583 -4.515 1 1 112 . 3 1 1 A 35 35 ALA CB C 50 19.504 28.674 -9.170 1 1 113 . 3 1 1 A 35 35 ALA N N 50 125.093 125.476 -0.383 1 1 114 . 3 1 1 A 36 36 ALA H H 51 7.548 6.793 0.755 1 1 115 . 3 1 1 A 36 36 ALA CA C 51 54.765 59.297 -4.532 1 1 116 . 3 1 1 A 36 36 ALA CB C 51 18.095 26.667 -8.572 1 1 117 . 3 1 1 A 36 36 ALA N N 51 118.057 118.087 -0.030 1 1 118 . 3 1 1 A 37 37 ALA H H 52 7.517 8.646 -1.129 1 1 119 . 3 1 1 A 37 37 ALA CA C 52 54.200 46.153 8.047 1 1 121 . 3 1 1 A 37 37 ALA N N 52 118.541 113.675 4.866 1 1 122 . 3 1 1 A 38 38 SER H H 53 8.330 8.190 0.140 1 1 123 . 3 1 1 A 38 38 SER CA C 53 59.095 54.381 4.714 1 1 124 . 3 1 1 A 38 38 SER CB C 53 65.540 17.952 47.588 1 1 125 . 3 1 1 A 38 38 SER N N 53 110.905 124.270 -13.365 1 1 126 . 3 1 1 A 39 39 GLY H H 54 8.454 7.392 1.062 1 1 127 . 3 1 1 A 39 39 GLY CA C 54 46.559 61.459 -14.900 1 1 128 . 3 1 1 A 39 39 GLY N N 54 112.427 115.467 -3.040 1 1 129 . 3 1 1 A 40 40 LEU H H 55 7.580 7.998 -0.418 1 1 130 . 3 1 1 A 40 40 LEU CA C 55 51.891 59.120 -7.229 1 1 131 . 3 1 1 A 40 40 LEU CB C 55 43.061 32.035 11.026 1 1 132 . 3 1 1 A 40 40 LEU N N 55 121.312 120.949 0.363 1 1 133 . 3 1 1 A 41 41 PRO CA C 56 61.426 54.114 7.312 1 1 134 . 3 1 1 A 41 41 PRO CB C 56 32.878 18.625 14.253 1 1 135 . 3 1 1 A 42 42 LEU H H 57 8.447 7.601 0.846 1 1 136 . 3 1 1 A 42 42 LEU CA C 57 55.025 57.083 -2.058 1 1 137 . 3 1 1 A 42 42 LEU CB C 57 44.360 41.804 2.556 1 1 138 . 3 1 1 A 42 42 LEU N N 57 116.186 118.559 -2.373 1 1 139 . 3 1 1 A 43 43 MET H H 58 8.610 7.791 0.819 1 1 140 . 3 1 1 A 43 43 MET CA C 58 54.951 61.275 -6.324 1 1 141 . 3 1 1 A 43 43 MET CB C 58 34.319 30.999 3.320 1 1 142 . 3 1 1 A 43 43 MET N N 58 124.827 119.422 5.405 1 1 144 . 3 1 1 A 44 44 VAL CA C 59 60.237 65.015 -4.778 1 1 145 . 3 1 1 A 44 44 VAL CB C 59 34.052 31.402 2.650 1 1 146 . 3 1 1 A 44 44 VAL N N 59 125.176 132.644 -7.468 1 1 147 . 3 1 1 A 45 45 ILE H H 60 8.512 7.895 0.617 1 1 148 . 3 1 1 A 45 45 ILE CA C 60 60.138 59.010 1.128 1 1 149 . 3 1 1 A 45 45 ILE CB C 60 40.622 32.977 7.645 1 1 150 . 3 1 1 A 45 45 ILE N N 60 125.614 117.660 7.954 1 1 151 . 3 1 1 A 46 46 ILE H H 61 9.528 8.591 0.937 1 1 152 . 3 1 1 A 46 46 ILE CA C 61 61.356 61.504 -0.148 1 1 153 . 3 1 1 A 46 46 ILE CB C 61 39.017 39.572 -0.555 1 1 154 . 3 1 1 A 46 46 ILE N N 61 130.237 120.918 9.319 1 1 155 . 3 1 1 A 47 47 HIS H H 62 8.926 8.011 0.915 1 1 156 . 3 1 1 A 47 47 HIS CA C 62 54.153 54.993 -0.840 1 1 157 . 3 1 1 A 47 47 HIS CB C 62 35.638 18.463 17.175 1 1 158 . 3 1 1 A 47 47 HIS N N 62 121.634 120.961 0.673 1 1 159 . 3 1 1 A 48 48 LYS H H 63 7.798 8.625 -0.827 1 1 160 . 3 1 1 A 48 48 LYS CA C 63 52.412 58.547 -6.135 1 1 161 . 3 1 1 A 48 48 LYS CB C 63 33.666 29.548 4.118 1 1 162 . 3 1 1 A 48 48 LYS N N 63 116.188 119.268 -3.080 1 1 163 . 3 1 1 A 49 49 SER H H 64 10.807 9.000 1.807 1 1 164 . 3 1 1 A 49 49 SER CA C 64 60.779 60.289 0.490 1 1 165 . 3 1 1 A 49 49 SER CB C 64 62.612 62.082 0.530 1 1 166 . 3 1 1 A 49 49 SER N N 64 121.963 115.694 6.269 1 1 167 . 3 1 1 A 50 50 TRP H H 65 6.564 7.782 -1.218 1 1 169 . 3 1 1 A 50 50 TRP CA C 65 54.246 66.448 -12.202 1 1 170 . 3 1 1 A 50 50 TRP CB C 65 29.500 69.060 -39.560 1 1 171 . 3 1 1 A 50 50 TRP N N 65 115.717 116.595 -0.878 1 1 173 . 3 1 1 A 51 51 CYS H H 66 6.689 7.459 -0.770 1 1 174 . 3 1 1 A 51 51 CYS CA C 66 60.195 58.945 1.250 1 1 175 . 3 1 1 A 51 51 CYS CB C 66 30.909 29.122 1.787 1 1 176 . 3 1 1 A 51 51 CYS N N 66 125.894 119.433 6.461 1 1 177 . 3 1 1 A 52 52 GLY H H 67 9.301 7.898 1.403 1 1 178 . 3 1 1 A 52 52 GLY CA C 67 47.510 63.582 -16.072 1 1 179 . 3 1 1 A 52 52 GLY N N 67 119.542 121.736 -2.194 1 1 180 . 3 1 1 A 53 53 ALA H H 68 9.861 8.278 1.583 1 1 181 . 3 1 1 A 53 53 ALA CA C 68 55.404 61.104 -5.700 1 1 182 . 3 1 1 A 53 53 ALA CB C 68 18.521 63.182 -44.661 1 1 183 . 3 1 1 A 53 53 ALA N N 68 133.080 117.015 16.065 1 1 184 . 3 1 1 A 54 54 CYS H H 69 9.891 7.520 2.371 1 1 185 . 3 1 1 A 54 54 CYS CA C 69 64.497 59.110 5.387 1 1 186 . 3 1 1 A 54 54 CYS CB C 69 29.057 30.246 -1.189 1 1 187 . 3 1 1 A 54 54 CYS N N 69 127.404 122.114 5.290 1 1 188 . 3 1 1 A 55 55 LYS H H 70 8.059 8.256 -0.197 1 1 189 . 3 1 1 A 55 55 LYS CA C 70 59.840 57.550 2.290 1 1 190 . 3 1 1 A 55 55 LYS CB C 70 32.942 41.013 -8.071 1 1 191 . 3 1 1 A 55 55 LYS N N 70 118.141 120.568 -2.427 1 1 192 . 3 1 1 A 56 56 ALA H H 71 7.517 8.150 -0.633 1 1 193 . 3 1 1 A 56 56 ALA CA C 71 53.989 61.068 -7.079 1 1 194 . 3 1 1 A 56 56 ALA CB C 71 18.501 63.157 -44.656 1 1 195 . 3 1 1 A 56 56 ALA N N 71 118.540 115.514 3.026 1 1 196 . 3 1 1 A 57 57 LEU H H 72 7.351 7.857 -0.506 1 1 197 . 3 1 1 A 57 57 LEU CA C 72 56.998 58.625 -1.627 1 1 198 . 3 1 1 A 57 57 LEU CB C 72 42.256 29.145 13.111 1 1 199 . 3 1 1 A 57 57 LEU N N 72 117.293 118.951 -1.658 1 1 200 . 3 1 1 A 58 58 LYS H H 73 7.101 7.383 -0.282 1 1 201 . 3 1 1 A 58 58 LYS CA C 73 62.302 55.033 7.269 1 1 202 . 3 1 1 A 58 58 LYS CB C 73 30.098 39.232 -9.134 1 1 203 . 3 1 1 A 58 58 LYS N N 73 115.956 115.904 0.052 1 1 204 . 3 1 1 A 59 59 PRO CA C 74 65.581 55.751 9.830 1 1 205 . 3 1 1 A 59 59 PRO CB C 74 30.726 41.586 -10.860 1 1 206 . 3 1 1 A 60 60 LYS H H 75 6.694 8.803 -2.109 1 1 207 . 3 1 1 A 60 60 LYS CA C 75 58.353 60.355 -2.002 1 1 208 . 3 1 1 A 60 60 LYS CB C 75 32.606 35.560 -2.954 1 1 209 . 3 1 1 A 60 60 LYS N N 75 115.897 119.036 -3.139 1 1 210 . 3 1 1 A 61 61 PHE H H 76 8.285 8.642 -0.357 1 1 211 . 3 1 1 A 61 61 PHE CA C 76 60.241 56.060 4.181 1 1 212 . 3 1 1 A 61 61 PHE CB C 76 41.785 32.576 9.209 1 1 213 . 3 1 1 A 61 61 PHE N N 76 120.489 125.911 -5.422 1 1 214 . 3 1 1 A 62 62 ALA H H 77 9.036 8.592 0.444 1 1 215 . 3 1 1 A 62 62 ALA CA C 77 55.215 61.211 -5.996 1 1 216 . 3 1 1 A 62 62 ALA CB C 77 19.141 32.468 -13.327 1 1 217 . 3 1 1 A 62 62 ALA N N 77 119.890 124.628 -4.738 1 1 218 . 3 1 1 A 63 63 GLU H H 78 7.541 8.887 -1.346 1 1 219 . 3 1 1 A 63 63 GLU CA C 78 55.965 52.392 3.573 1 1 220 . 3 1 1 A 63 63 GLU CB C 78 29.630 39.625 -9.995 1 1 221 . 3 1 1 A 63 63 GLU N N 78 111.511 125.288 -13.777 1 1 222 . 3 1 1 A 64 64 SER H H 79 6.861 8.843 -1.982 1 1 223 . 3 1 1 A 64 64 SER CA C 79 57.323 54.001 3.322 1 1 224 . 3 1 1 A 64 64 SER CB C 79 63.306 42.949 20.357 1 1 225 . 3 1 1 A 64 64 SER N N 79 111.856 127.494 -15.638 1 1 226 . 3 1 1 A 65 65 THR H H 80 9.169 8.467 0.702 1 1 227 . 3 1 1 A 65 65 THR CA C 80 65.335 54.151 11.184 1 1 228 . 3 1 1 A 65 65 THR CB C 80 68.216 32.739 35.477 1 1 229 . 3 1 1 A 65 65 THR N N 80 129.658 123.832 5.826 1 1 230 . 3 1 1 A 66 66 GLU H H 81 8.354 8.935 -0.581 1 1 231 . 3 1 1 A 66 66 GLU CA C 81 60.236 57.890 2.346 1 1 232 . 3 1 1 A 66 66 GLU CB C 81 30.136 40.839 -10.703 1 1 233 . 3 1 1 A 66 66 GLU N N 81 123.573 124.333 -0.760 1 1 234 . 3 1 1 A 67 67 ILE H H 82 7.922 7.948 -0.026 1 1 235 . 3 1 1 A 67 67 ILE CA C 82 66.084 59.620 6.464 1 1 236 . 3 1 1 A 67 67 ILE CB C 82 37.806 29.503 8.303 1 1 237 . 3 1 1 A 67 67 ILE N N 82 119.503 119.369 0.134 1 1 238 . 3 1 1 A 68 68 SER H H 83 7.214 8.495 -1.281 1 1 239 . 3 1 1 A 68 68 SER CA C 83 63.512 56.531 6.981 1 1 240 . 3 1 1 A 68 68 SER CB C 83 62.330 29.553 32.777 1 1 241 . 3 1 1 A 68 68 SER N N 83 112.464 118.740 -6.276 1 1 242 . 3 1 1 A 69 69 GLU H H 84 8.224 9.143 -0.919 1 1 243 . 3 1 1 A 69 69 GLU CA C 84 59.597 57.775 1.822 1 1 244 . 3 1 1 A 69 69 GLU CB C 84 29.640 32.049 -2.409 1 1 245 . 3 1 1 A 69 69 GLU N N 84 120.267 119.999 0.268 1 1 247 . 3 1 1 A 70 70 LEU CA C 85 57.423 66.213 -8.790 1 1 248 . 3 1 1 A 70 70 LEU CB C 85 42.942 31.074 11.868 1 1 249 . 3 1 1 A 70 70 LEU N N 85 119.797 134.843 -15.046 1 1 250 . 3 1 1 A 71 71 SER H H 86 8.580 8.462 0.118 1 1 251 . 3 1 1 A 71 71 SER CA C 86 62.310 57.118 5.192 1 1 252 . 3 1 1 A 71 71 SER CB C 86 62.306 31.382 30.924 1 1 253 . 3 1 1 A 71 71 SER N N 86 114.965 117.401 -2.436 1 1 254 . 3 1 1 A 72 72 HIS H H 87 7.189 8.373 -1.184 1 1 255 . 3 1 1 A 72 72 HIS CA C 87 57.593 53.036 4.557 1 1 256 . 3 1 1 A 72 72 HIS CB C 87 28.816 43.913 -15.097 1 1 257 . 3 1 1 A 72 72 HIS N N 87 119.159 124.435 -5.276 1 1 258 . 3 1 1 A 73 73 ASN H H 88 8.148 8.923 -0.775 1 1 261 . 3 1 1 A 73 73 ASN CA C 88 52.994 58.907 -5.913 1 1 262 . 3 1 1 A 73 73 ASN CB C 88 38.894 29.381 9.513 1 1 263 . 3 1 1 A 73 73 ASN N N 88 116.602 121.739 -5.137 1 1 265 . 3 1 1 A 74 74 PHE H H 89 7.623 8.131 -0.508 1 1 266 . 3 1 1 A 74 74 PHE CA C 89 56.882 57.370 -0.488 1 1 267 . 3 1 1 A 74 74 PHE CB C 89 44.873 40.481 4.392 1 1 268 . 3 1 1 A 74 74 PHE N N 89 114.645 120.488 -5.843 1 1 269 . 3 1 1 A 75 75 VAL H H 90 8.952 8.305 0.647 1 1 270 . 3 1 1 A 75 75 VAL CA C 90 63.301 60.068 3.233 1 1 271 . 3 1 1 A 75 75 VAL CB C 90 31.213 38.591 -7.378 1 1 272 . 3 1 1 A 75 75 VAL N N 90 120.004 118.208 1.796 1 1 273 . 3 1 1 A 76 76 MET H H 91 7.486 7.858 -0.372 1 1 274 . 3 1 1 A 76 76 MET CA C 91 53.528 55.926 -2.398 1 1 275 . 3 1 1 A 76 76 MET CB C 91 30.717 63.297 -32.580 1 1 276 . 3 1 1 A 76 76 MET N N 91 129.189 112.360 16.829 1 1 278 . 3 1 1 A 77 77 VAL CA C 92 60.953 65.612 -4.659 1 1 279 . 3 1 1 A 77 77 VAL CB C 92 37.090 31.510 5.580 1 1 280 . 3 1 1 A 77 77 VAL N N 92 122.955 139.984 -17.029 1 1 281 . 3 1 1 A 78 78 ASN H H 93 10.248 8.461 1.787 1 1 283 . 3 1 1 A 78 78 ASN CA C 93 52.125 54.020 -1.895 1 1 284 . 3 1 1 A 78 78 ASN CB C 93 41.857 41.783 0.074 1 1 285 . 3 1 1 A 78 78 ASN N N 93 126.507 116.906 9.601 1 1 287 . 3 1 1 A 79 79 LEU H H 94 9.104 8.090 1.014 1 1 288 . 3 1 1 A 79 79 LEU CA C 94 52.410 44.403 8.007 1 1 290 . 3 1 1 A 79 79 LEU N N 94 123.073 108.584 14.489 1 1 291 . 3 1 1 A 80 80 GLU H H 95 9.161 7.881 1.280 1 1 292 . 3 1 1 A 80 80 GLU CA C 95 53.391 45.425 7.966 1 1 294 . 3 1 1 A 80 80 GLU N N 95 125.765 109.741 16.024 1 1 295 . 3 1 1 A 81 81 ASP H H 96 8.107 7.806 0.301 1 1 296 . 3 1 1 A 81 81 ASP CA C 96 57.563 57.456 0.107 1 1 297 . 3 1 1 A 81 81 ASP CB C 96 38.605 39.661 -1.056 1 1 298 . 3 1 1 A 81 81 ASP N N 96 126.380 118.624 7.756 1 1 299 . 3 1 1 A 82 82 GLU H H 97 8.836 8.777 0.059 1 1 300 . 3 1 1 A 82 82 GLU CA C 97 58.555 56.986 1.569 1 1 301 . 3 1 1 A 82 82 GLU CB C 97 28.422 40.087 -11.665 1 1 302 . 3 1 1 A 82 82 GLU N N 97 123.966 115.474 8.492 1 1 304 . 3 1 1 A 83 83 GLU CA C 98 56.619 62.460 -5.841 1 1 305 . 3 1 1 A 83 83 GLU CB C 98 30.722 33.011 -2.289 1 1 306 . 3 1 1 A 83 83 GLU N N 98 118.069 140.203 -22.134 1 1 307 . 3 1 1 A 84 84 GLU H H 99 7.298 7.923 -0.625 1 1 308 . 3 1 1 A 84 84 GLU CA C 99 54.482 54.492 -0.010 1 1 309 . 3 1 1 A 84 84 GLU CB C 99 29.535 33.678 -4.143 1 1 310 . 3 1 1 A 84 84 GLU N N 99 119.571 121.374 -1.803 1 1 311 . 3 1 1 A 85 85 PRO CA C 100 62.512 61.527 0.985 1 1 312 . 3 1 1 A 85 85 PRO CB C 100 32.805 37.893 -5.088 1 1 313 . 3 1 1 A 86 86 LYS H H 101 8.640 8.996 -0.356 1 1 314 . 3 1 1 A 86 86 LYS CA C 101 55.615 53.380 2.235 1 1 315 . 3 1 1 A 86 86 LYS CB C 101 31.117 45.155 -14.038 1 1 316 . 3 1 1 A 86 86 LYS N N 101 122.999 126.002 -3.003 1 1 317 . 3 1 1 A 87 87 ASP H H 102 7.395 8.714 -1.319 1 1 318 . 3 1 1 A 87 87 ASP CA C 102 54.233 56.682 -2.449 1 1 319 . 3 1 1 A 87 87 ASP CB C 102 42.084 41.350 0.734 1 1 320 . 3 1 1 A 87 87 ASP N N 102 119.006 126.368 -7.362 1 1 321 . 3 1 1 A 88 88 GLU H H 103 9.217 8.198 1.019 1 1 322 . 3 1 1 A 88 88 GLU CA C 103 58.996 53.301 5.695 1 1 323 . 3 1 1 A 88 88 GLU CB C 103 29.226 45.663 -16.437 1 1 324 . 3 1 1 A 88 88 GLU N N 103 127.412 123.151 4.261 1 1 325 . 3 1 1 A 89 89 ASP H H 104 9.043 8.218 0.825 1 1 326 . 3 1 1 A 89 89 ASP CA C 104 56.138 52.567 3.571 1 1 327 . 3 1 1 A 89 89 ASP CB C 104 39.487 39.705 -0.218 1 1 328 . 3 1 1 A 89 89 ASP N N 104 121.056 119.357 1.699 1 1 330 . 3 1 1 A 90 90 PHE CA C 105 58.124 62.987 -4.863 1 1 331 . 3 1 1 A 90 90 PHE CB C 105 38.909 30.998 7.911 1 1 332 . 3 1 1 A 90 90 PHE N N 105 111.473 138.414 -26.941 1 1 333 . 3 1 1 A 91 91 SER H H 106 7.907 7.944 -0.037 1 1 334 . 3 1 1 A 91 91 SER CA C 106 55.565 58.311 -2.746 1 1 335 . 3 1 1 A 91 91 SER CB C 106 63.139 65.995 -2.856 1 1 336 . 3 1 1 A 91 91 SER N N 106 115.544 114.788 0.756 1 1 337 . 3 1 1 A 92 92 PRO CA C 107 65.329 45.502 19.827 1 1 339 . 3 1 1 A 93 93 ASP H H 108 9.095 7.425 1.670 1 1 340 . 3 1 1 A 93 93 ASP CA C 108 52.726 55.124 -2.398 1 1 341 . 3 1 1 A 93 93 ASP CB C 108 40.551 33.287 7.264 1 1 342 . 3 1 1 A 93 93 ASP N N 108 115.482 119.903 -4.421 1 1 343 . 3 1 1 A 94 94 GLY H H 109 6.947 8.037 -1.090 1 1 344 . 3 1 1 A 94 94 GLY CA C 109 44.385 63.497 -19.112 1 1 345 . 3 1 1 A 94 94 GLY N N 109 106.691 124.000 -17.309 1 1 346 . 3 1 1 A 95 95 GLY H H 110 8.423 8.609 -0.186 1 1 347 . 3 1 1 A 95 95 GLY CA C 110 45.873 53.791 -7.918 1 1 348 . 3 1 1 A 95 95 GLY N N 110 107.178 126.813 -19.635 1 1 350 . 3 1 1 A 96 96 TYR CA C 111 55.619 63.427 -7.808 1 1 351 . 3 1 1 A 96 96 TYR CB C 111 38.312 30.503 7.809 1 1 352 . 3 1 1 A 96 96 TYR N N 111 116.246 139.579 -23.333 1 1 353 . 3 1 1 A 97 97 ILE H H 112 7.878 9.075 -1.197 1 1 354 . 3 1 1 A 97 97 ILE CA C 112 58.650 57.036 1.614 1 1 355 . 3 1 1 A 97 97 ILE N N 112 113.713 119.705 -5.992 1 1 356 . 3 1 1 A 98 98 PRO CA C 113 62.337 60.907 1.430 1 1 357 . 3 1 1 A 98 98 PRO CB C 113 34.315 36.474 -2.159 1 1 358 . 3 1 1 A 99 99 ARG H H 114 8.514 8.118 0.396 1 1 359 . 3 1 1 A 99 99 ARG CA C 114 54.460 59.438 -4.978 1 1 360 . 3 1 1 A 99 99 ARG CB C 114 34.399 39.051 -4.652 1 1 361 . 3 1 1 A 99 99 ARG N N 114 117.550 122.426 -4.876 1 1 362 . 3 1 1 A 100 100 ILE H H 115 8.819 8.300 0.519 1 1 363 . 3 1 1 A 100 100 ILE CA C 115 60.937 51.379 9.558 1 1 364 . 3 1 1 A 100 100 ILE CB C 115 39.021 36.959 2.062 1 1 365 . 3 1 1 A 100 100 ILE N N 115 122.056 120.188 1.868 1 1 366 . 3 1 1 A 101 101 LEU H H 116 8.692 8.427 0.265 1 1 367 . 3 1 1 A 101 101 LEU CA C 116 52.377 59.227 -6.850 1 1 368 . 3 1 1 A 101 101 LEU CB C 116 46.493 29.427 17.066 1 1 369 . 3 1 1 A 101 101 LEU N N 116 127.243 125.020 2.223 1 1 370 . 3 1 1 A 102 102 PHE H H 117 9.004 7.496 1.508 1 1 371 . 3 1 1 A 102 102 PHE CA C 117 57.076 54.171 2.905 1 1 372 . 3 1 1 A 102 102 PHE CB C 117 42.048 38.901 3.147 1 1 373 . 3 1 1 A 102 102 PHE N N 117 116.784 117.716 -0.932 1 1 374 . 3 1 1 A 103 103 LEU H H 118 9.303 8.615 0.688 1 1 375 . 3 1 1 A 103 103 LEU CA C 118 53.487 44.192 9.295 1 1 377 . 3 1 1 A 103 103 LEU N N 118 124.741 108.236 16.505 1 1 378 . 3 1 1 A 104 104 ASP H H 119 8.351 8.468 -0.117 1 1 379 . 3 1 1 A 104 104 ASP CA C 119 52.555 51.518 1.037 1 1 380 . 3 1 1 A 104 104 ASP CB C 119 39.406 38.924 0.482 1 1 381 . 3 1 1 A 104 104 ASP N N 119 117.539 116.738 0.801 1 1 382 . 3 1 1 A 105 105 PRO CA C 120 65.106 62.779 2.327 1 1 383 . 3 1 1 A 105 105 PRO CB C 120 31.459 29.627 1.832 1 1 384 . 3 1 1 A 106 106 SER H H 121 8.229 8.234 -0.005 1 1 385 . 3 1 1 A 106 106 SER CA C 121 58.891 57.258 1.633 1 1 386 . 3 1 1 A 106 106 SER CB C 121 64.061 63.953 0.108 1 1 387 . 3 1 1 A 106 106 SER N N 121 111.546 115.901 -4.355 1 1 388 . 3 1 1 A 107 107 GLY H H 122 8.970 7.983 0.987 1 1 389 . 3 1 1 A 107 107 GLY CA C 122 45.417 58.989 -13.572 1 1 390 . 3 1 1 A 107 107 GLY N N 122 111.616 120.515 -8.899 1 1 391 . 3 1 1 A 108 108 LYS H H 123 7.405 7.887 -0.482 1 1 392 . 3 1 1 A 108 108 LYS CA C 123 54.729 58.404 -3.675 1 1 393 . 3 1 1 A 108 108 LYS CB C 123 32.929 31.311 1.618 1 1 394 . 3 1 1 A 108 108 LYS N N 123 120.930 119.054 1.876 1 1 395 . 3 1 1 A 109 109 VAL H H 124 8.875 8.634 0.241 1 1 396 . 3 1 1 A 109 109 VAL CA C 124 64.103 60.568 3.535 1 1 397 . 3 1 1 A 109 109 VAL CB C 124 32.249 38.238 -5.989 1 1 398 . 3 1 1 A 109 109 VAL N N 124 126.925 119.613 7.312 1 1 399 . 3 1 1 A 110 110 HIS H H 125 8.911 8.295 0.616 1 1 400 . 3 1 1 A 110 110 HIS CA C 125 54.469 59.049 -4.580 1 1 401 . 3 1 1 A 110 110 HIS CB C 125 28.893 39.706 -10.813 1 1 402 . 3 1 1 A 110 110 HIS N N 125 127.112 121.541 5.571 1 1 403 . 3 1 1 A 111 111 PRO CA C 126 63.311 56.017 7.294 1 1 404 . 3 1 1 A 111 111 PRO CB C 126 32.232 39.985 -7.753 1 1 405 . 3 1 1 A 112 112 GLU H H 127 10.959 8.498 2.461 1 1 406 . 3 1 1 A 112 112 GLU CA C 127 57.439 60.565 -3.126 1 1 407 . 3 1 1 A 112 112 GLU CB C 127 27.174 31.191 -4.017 1 1 408 . 3 1 1 A 112 112 GLU N N 127 123.144 119.206 3.938 1 1 409 . 3 1 1 A 113 113 ILE H H 128 7.493 7.777 -0.284 1 1 410 . 3 1 1 A 113 113 ILE CA C 128 61.518 58.072 3.446 1 1 411 . 3 1 1 A 113 113 ILE CB C 128 35.365 65.356 -29.991 1 1 412 . 3 1 1 A 113 113 ILE N N 128 123.479 114.200 9.279 1 1 413 . 3 1 1 A 114 114 ILE H H 129 8.300 8.947 -0.647 1 1 414 . 3 1 1 A 114 114 ILE CA C 129 59.109 55.410 3.699 1 1 415 . 3 1 1 A 114 114 ILE CB C 129 42.309 18.458 23.851 1 1 416 . 3 1 1 A 114 114 ILE N N 129 123.439 128.043 -4.604 1 1 417 . 3 1 1 A 115 115 ASN H H 130 8.622 8.298 0.324 1 1 420 . 3 1 1 A 115 115 ASN CA C 130 51.381 59.873 -8.492 1 1 421 . 3 1 1 A 115 115 ASN CB C 130 35.215 29.141 6.074 1 1 422 . 3 1 1 A 115 115 ASN N N 130 114.712 118.914 -4.202 1 1 424 . 3 1 1 A 116 116 GLU H H 131 8.463 7.938 0.525 1 1 425 . 3 1 1 A 116 116 GLU CA C 131 58.882 58.577 0.305 1 1 426 . 3 1 1 A 116 116 GLU CB C 131 29.606 28.551 1.055 1 1 427 . 3 1 1 A 116 116 GLU N N 131 127.900 117.938 9.962 1 1 428 . 3 1 1 A 117 117 ASN H H 132 7.545 7.324 0.221 1 1 431 . 3 1 1 A 117 117 ASN CA C 132 52.960 65.082 -12.122 1 1 432 . 3 1 1 A 117 117 ASN CB C 132 39.777 31.012 8.765 1 1 433 . 3 1 1 A 117 117 ASN N N 132 113.958 116.179 -2.221 1 1 435 . 3 1 1 A 118 118 GLY H H 133 7.109 7.505 -0.396 1 1 436 . 3 1 1 A 118 118 GLY CA C 133 44.662 64.783 -20.121 1 1 437 . 3 1 1 A 118 118 GLY N N 133 107.288 121.738 -14.450 1 1 438 . 3 1 1 A 119 119 ASN H H 134 8.795 8.322 0.473 1 1 441 . 3 1 1 A 119 119 ASN CA C 134 50.277 58.353 -8.076 1 1 442 . 3 1 1 A 119 119 ASN CB C 134 40.102 28.100 12.002 1 1 443 . 3 1 1 A 119 119 ASN N N 134 122.889 119.876 3.013 1 1 445 . 3 1 1 A 120 120 PRO CA C 135 64.320 47.028 17.292 1 1 447 . 3 1 1 A 121 121 SER H H 136 8.260 7.873 0.387 1 1 448 . 3 1 1 A 121 121 SER CA C 136 60.199 58.853 1.346 1 1 449 . 3 1 1 A 121 121 SER CB C 136 63.228 33.622 29.606 1 1 450 . 3 1 1 A 121 121 SER N N 136 113.554 119.950 -6.396 1 1 451 . 3 1 1 A 122 122 TYR H H 137 7.580 8.566 -0.986 1 1 452 . 3 1 1 A 122 122 TYR CA C 137 54.584 59.015 -4.431 1 1 453 . 3 1 1 A 122 122 TYR CB C 137 38.872 31.765 7.107 1 1 454 . 3 1 1 A 122 122 TYR N N 137 119.864 118.190 1.674 1 1 455 . 3 1 1 A 123 123 LYS H H 138 9.556 7.742 1.814 1 1 456 . 3 1 1 A 123 123 LYS CA C 138 60.415 59.326 1.089 1 1 457 . 3 1 1 A 123 123 LYS CB C 138 31.945 29.799 2.146 1 1 458 . 3 1 1 A 123 123 LYS N N 138 123.955 119.964 3.991 1 1 459 . 3 1 1 A 124 124 TYR H H 139 8.486 7.396 1.090 1 1 460 . 3 1 1 A 124 124 TYR CA C 139 56.009 53.926 2.083 1 1 461 . 3 1 1 A 124 124 TYR CB C 139 37.666 18.182 19.484 1 1 462 . 3 1 1 A 124 124 TYR N N 139 113.738 121.297 -7.559 1 1 463 . 3 1 1 A 125 125 PHE H H 140 7.562 8.414 -0.852 1 1 464 . 3 1 1 A 125 125 PHE CA C 140 56.561 58.270 -1.709 1 1 465 . 3 1 1 A 125 125 PHE CB C 140 40.897 28.836 12.061 1 1 466 . 3 1 1 A 125 125 PHE N N 140 122.592 117.952 4.640 1 1 467 . 3 1 1 A 126 126 TYR H H 141 8.133 7.786 0.347 1 1 468 . 3 1 1 A 126 126 TYR CA C 141 57.326 57.729 -0.403 1 1 469 . 3 1 1 A 126 126 TYR CB C 141 41.768 31.027 10.741 1 1 470 . 3 1 1 A 126 126 TYR N N 141 129.225 116.951 12.274 1 1 471 . 3 1 1 A 127 127 VAL H H 142 8.081 8.191 -0.110 1 1 472 . 3 1 1 A 127 127 VAL CA C 142 61.414 58.379 3.035 1 1 473 . 3 1 1 A 127 127 VAL CB C 142 34.245 29.502 4.743 1 1 474 . 3 1 1 A 127 127 VAL N N 142 112.892 119.206 -6.314 1 1 475 . 3 1 1 A 128 128 SER H H 143 7.362 8.054 -0.692 1 1 476 . 3 1 1 A 128 128 SER CA C 143 55.028 56.656 -1.628 1 1 477 . 3 1 1 A 128 128 SER CB C 143 67.261 42.892 24.369 1 1 478 . 3 1 1 A 128 128 SER N N 143 112.848 120.302 -7.454 1 1 479 . 3 1 1 A 129 129 ALA H H 144 9.331 8.295 1.036 1 1 480 . 3 1 1 A 129 129 ALA CA C 144 55.568 65.258 -9.690 1 1 481 . 3 1 1 A 129 129 ALA CB C 144 18.005 68.132 -50.127 1 1 482 . 3 1 1 A 129 129 ALA N N 144 124.250 113.280 10.970 1 1 483 . 3 1 1 A 130 130 GLU H H 145 9.152 7.818 1.334 1 1 484 . 3 1 1 A 130 130 GLU CA C 145 60.626 46.873 13.753 1 1 486 . 3 1 1 A 130 130 GLU N N 145 116.980 110.152 6.828 1 1 487 . 3 1 1 A 131 131 GLN H H 146 7.621 8.177 -0.556 1 1 490 . 3 1 1 A 131 131 GLN CA C 146 58.552 53.208 5.344 1 1 491 . 3 1 1 A 131 131 GLN CB C 146 29.038 41.760 -12.722 1 1 492 . 3 1 1 A 131 131 GLN N N 146 117.565 119.210 -1.645 1 1 494 . 3 1 1 A 132 132 VAL H H 147 7.780 8.061 -0.281 1 1 495 . 3 1 1 A 132 132 VAL CA C 147 66.928 54.148 12.780 1 1 496 . 3 1 1 A 132 132 VAL CB C 147 31.324 18.783 12.541 1 1 497 . 3 1 1 A 132 132 VAL N N 147 121.486 122.243 -0.757 1 1 498 . 3 1 1 A 133 133 VAL H H 148 8.609 8.186 0.423 1 1 499 . 3 1 1 A 133 133 VAL CA C 148 67.053 60.570 6.483 1 1 500 . 3 1 1 A 133 133 VAL CB C 148 31.927 37.581 -5.654 1 1 501 . 3 1 1 A 133 133 VAL N N 148 119.560 114.164 5.396 1 1 502 . 3 1 1 A 134 134 GLN H H 149 7.365 6.698 0.667 1 1 505 . 3 1 1 A 134 134 GLN CA C 149 59.382 55.254 4.128 1 1 506 . 3 1 1 A 134 134 GLN CB C 149 27.860 31.339 -3.479 1 1 507 . 3 1 1 A 134 134 GLN N N 149 117.080 120.747 -3.667 1 1 509 . 3 1 1 A 135 135 GLY H H 150 8.085 8.870 -0.785 1 1 510 . 3 1 1 A 135 135 GLY CA C 150 47.499 57.449 -9.950 1 1 511 . 3 1 1 A 135 135 GLY N N 150 107.849 122.158 -14.309 1 1 512 . 3 1 1 A 136 136 MET H H 151 8.593 7.659 0.934 1 1 513 . 3 1 1 A 136 136 MET CA C 151 59.730 54.969 4.761 1 1 514 . 3 1 1 A 136 136 MET CB C 151 35.435 33.331 2.104 1 1 515 . 3 1 1 A 136 136 MET N N 151 119.390 117.701 1.689 1 1 516 . 3 1 1 A 137 137 LYS H H 152 8.591 8.297 0.294 1 1 517 . 3 1 1 A 137 137 LYS CA C 152 60.659 56.301 4.358 1 1 518 . 3 1 1 A 137 137 LYS CB C 152 32.617 30.212 2.405 1 1 519 . 3 1 1 A 137 137 LYS N N 152 119.226 120.117 -0.891 1 1 520 . 3 1 1 A 138 138 GLU H H 153 7.870 7.726 0.144 1 1 521 . 3 1 1 A 138 138 GLU CA C 153 59.134 54.836 4.298 1 1 522 . 3 1 1 A 138 138 GLU CB C 153 28.879 43.633 -14.754 1 1 523 . 3 1 1 A 138 138 GLU N N 153 120.709 121.004 -0.295 1 1 524 . 3 1 1 A 139 139 ALA H H 154 8.493 8.615 -0.122 1 1 525 . 3 1 1 A 139 139 ALA CA C 154 55.450 58.002 -2.552 1 1 526 . 3 1 1 A 139 139 ALA CB C 154 18.695 32.793 -14.098 1 1 527 . 3 1 1 A 139 139 ALA N N 154 120.598 126.767 -6.169 1 1 528 . 3 1 1 A 140 140 GLN H H 155 8.582 7.813 0.769 1 1 531 . 3 1 1 A 140 140 GLN CA C 155 59.239 54.026 5.213 1 1 532 . 3 1 1 A 140 140 GLN CB C 155 28.027 43.459 -15.432 1 1 533 . 3 1 1 A 140 140 GLN N N 155 116.438 117.636 -1.198 1 1 535 . 3 1 1 A 141 141 GLU H H 156 7.563 8.713 -1.150 1 1 536 . 3 1 1 A 141 141 GLU CA C 156 58.896 56.717 2.179 1 1 537 . 3 1 1 A 141 141 GLU CB C 156 29.885 30.701 -0.816 1 1 538 . 3 1 1 A 141 141 GLU N N 156 118.759 126.021 -7.262 1 1 1 . 4 1 1 A 7 7 HIS CA C 22 56.307 54.045 2.262 1 1 2 . 4 1 1 A 7 7 HIS CB C 22 30.341 31.098 -0.757 1 1 3 . 4 1 1 A 8 8 MET H H 23 8.449 8.133 0.316 1 1 4 . 4 1 1 A 8 8 MET CA C 23 55.742 61.401 -5.659 1 1 5 . 4 1 1 A 8 8 MET CB C 23 32.842 38.843 -6.001 1 1 6 . 4 1 1 A 8 8 MET N N 23 122.176 123.629 -1.453 1 1 7 . 4 1 1 A 9 9 SER H H 24 8.428 6.291 2.137 1 1 8 . 4 1 1 A 9 9 SER CA C 24 58.412 54.999 3.413 1 1 9 . 4 1 1 A 9 9 SER CB C 24 63.900 28.424 35.476 1 1 10 . 4 1 1 A 9 9 SER N N 24 116.789 118.206 -1.417 1 1 11 . 4 1 1 A 10 10 ASP H H 25 8.382 7.247 1.135 1 1 12 . 4 1 1 A 10 10 ASP CA C 25 54.487 56.637 -2.150 1 1 13 . 4 1 1 A 10 10 ASP CB C 25 41.285 31.808 9.477 1 1 14 . 4 1 1 A 10 10 ASP N N 25 122.384 118.280 4.104 1 1 15 . 4 1 1 A 11 11 GLY H H 26 8.363 7.827 0.536 1 1 16 . 4 1 1 A 11 11 GLY CA C 26 45.546 58.615 -13.069 1 1 17 . 4 1 1 A 11 11 GLY N N 26 108.671 119.527 -10.856 1 1 18 . 4 1 1 A 12 12 HIS H H 27 8.350 7.538 0.812 1 1 19 . 4 1 1 A 12 12 HIS CA C 27 56.103 61.100 -4.997 1 1 20 . 4 1 1 A 12 12 HIS CB C 27 29.813 71.067 -41.254 1 1 21 . 4 1 1 A 12 12 HIS N N 27 118.814 108.504 10.310 1 1 22 . 4 1 1 A 13 13 ASN H H 28 8.505 8.821 -0.316 1 1 25 . 4 1 1 A 13 13 ASN CA C 28 53.482 58.736 -5.254 1 1 26 . 4 1 1 A 13 13 ASN CB C 28 39.386 41.340 -1.954 1 1 27 . 4 1 1 A 13 13 ASN N N 28 119.523 124.733 -5.210 1 1 29 . 4 1 1 A 14 14 GLY H H 29 8.743 8.326 0.417 1 1 30 . 4 1 1 A 14 14 GLY CA C 29 45.534 59.614 -14.080 1 1 31 . 4 1 1 A 14 14 GLY N N 29 110.136 118.851 -8.715 1 1 32 . 4 1 1 A 15 15 LEU H H 30 8.466 8.337 0.129 1 1 33 . 4 1 1 A 15 15 LEU CA C 30 56.146 56.900 -0.754 1 1 34 . 4 1 1 A 15 15 LEU CB C 30 42.864 40.320 2.544 1 1 35 . 4 1 1 A 15 15 LEU N N 30 120.511 118.527 1.984 1 1 36 . 4 1 1 A 16 16 GLY H H 31 8.886 8.185 0.701 1 1 37 . 4 1 1 A 16 16 GLY CA C 31 47.064 47.314 -0.250 1 1 38 . 4 1 1 A 16 16 GLY N N 31 108.073 108.700 -0.627 1 1 39 . 4 1 1 A 17 17 LYS H H 32 7.854 7.955 -0.101 1 1 40 . 4 1 1 A 17 17 LYS CA C 32 55.661 58.921 -3.260 1 1 41 . 4 1 1 A 17 17 LYS CB C 32 29.379 31.978 -2.599 1 1 42 . 4 1 1 A 17 17 LYS N N 32 110.952 121.815 -10.863 1 1 43 . 4 1 1 A 18 18 GLY H H 33 8.095 7.580 0.515 1 1 44 . 4 1 1 A 18 18 GLY CA C 33 44.893 59.237 -14.344 1 1 45 . 4 1 1 A 18 18 GLY N N 33 103.957 119.202 -15.245 1 1 46 . 4 1 1 A 19 19 PHE H H 34 7.887 8.112 -0.225 1 1 47 . 4 1 1 A 19 19 PHE CA C 34 61.146 59.092 2.054 1 1 48 . 4 1 1 A 19 19 PHE CB C 34 38.963 29.344 9.619 1 1 49 . 4 1 1 A 19 19 PHE N N 34 117.883 118.651 -0.768 1 1 50 . 4 1 1 A 20 20 GLY H H 35 7.696 8.234 -0.538 1 1 51 . 4 1 1 A 20 20 GLY CA C 35 45.189 54.659 -9.470 1 1 52 . 4 1 1 A 20 20 GLY N N 35 102.668 121.488 -18.820 1 1 53 . 4 1 1 A 21 21 ASP H H 36 9.284 7.547 1.737 1 1 54 . 4 1 1 A 21 21 ASP CA C 36 56.026 54.813 1.213 1 1 55 . 4 1 1 A 21 21 ASP CB C 36 40.543 18.633 21.910 1 1 56 . 4 1 1 A 21 21 ASP N N 36 129.289 120.203 9.086 1 1 57 . 4 1 1 A 22 22 HIS H H 37 9.058 7.925 1.133 1 1 58 . 4 1 1 A 22 22 HIS CA C 37 56.628 55.260 1.368 1 1 59 . 4 1 1 A 22 22 HIS CB C 37 29.941 18.667 11.274 1 1 60 . 4 1 1 A 22 22 HIS N N 37 116.742 120.527 -3.785 1 1 61 . 4 1 1 A 23 23 ILE H H 38 6.449 7.435 -0.986 1 1 62 . 4 1 1 A 23 23 ILE CA C 38 59.183 59.850 -0.667 1 1 63 . 4 1 1 A 23 23 ILE CB C 38 39.408 64.732 -25.324 1 1 64 . 4 1 1 A 23 23 ILE N N 38 124.704 110.360 14.344 1 1 65 . 4 1 1 A 24 24 HIS H H 39 7.857 8.510 -0.653 1 1 66 . 4 1 1 A 24 24 HIS CA C 39 52.931 46.130 6.801 1 1 68 . 4 1 1 A 24 24 HIS N N 39 124.600 111.413 13.187 1 1 69 . 4 1 1 A 25 25 TRP H H 40 8.032 7.256 0.776 1 1 71 . 4 1 1 A 25 25 TRP CA C 40 57.058 52.080 4.978 1 1 72 . 4 1 1 A 25 25 TRP CB C 40 30.411 42.442 -12.031 1 1 73 . 4 1 1 A 25 25 TRP N N 40 130.002 117.953 12.049 1 1 76 . 4 1 1 A 26 26 ARG CA C 41 54.500 62.144 -7.644 1 1 77 . 4 1 1 A 26 26 ARG CB C 41 35.055 31.795 3.260 1 1 78 . 4 1 1 A 26 26 ARG N N 41 122.005 133.828 -11.823 1 1 79 . 4 1 1 A 27 27 THR H H 42 8.562 7.894 0.668 1 1 80 . 4 1 1 A 27 27 THR CA C 42 61.294 54.719 6.575 1 1 81 . 4 1 1 A 27 27 THR CB C 42 70.325 42.545 27.780 1 1 82 . 4 1 1 A 27 27 THR N N 42 111.261 121.926 -10.665 1 1 83 . 4 1 1 A 28 28 LEU H H 43 8.994 8.679 0.315 1 1 84 . 4 1 1 A 28 28 LEU CA C 43 59.121 54.083 5.038 1 1 85 . 4 1 1 A 28 28 LEU CB C 43 41.515 34.008 7.507 1 1 86 . 4 1 1 A 28 28 LEU N N 43 121.976 123.038 -1.062 1 1 87 . 4 1 1 A 29 29 GLU H H 44 8.759 8.566 0.193 1 1 88 . 4 1 1 A 29 29 GLU CA C 44 59.928 62.211 -2.283 1 1 89 . 4 1 1 A 29 29 GLU CB C 44 29.342 30.402 -1.060 1 1 90 . 4 1 1 A 29 29 GLU N N 44 116.492 125.934 -9.442 1 1 91 . 4 1 1 A 30 30 ASP H H 45 7.692 8.482 -0.790 1 1 92 . 4 1 1 A 30 30 ASP CA C 45 57.131 60.387 -3.256 1 1 93 . 4 1 1 A 30 30 ASP CB C 45 40.093 37.204 2.889 1 1 94 . 4 1 1 A 30 30 ASP N N 45 119.105 128.022 -8.917 1 1 95 . 4 1 1 A 31 31 GLY H H 46 9.224 8.944 0.280 1 1 96 . 4 1 1 A 31 31 GLY CA C 46 47.426 60.033 -12.607 1 1 97 . 4 1 1 A 31 31 GLY N N 46 111.508 128.535 -17.027 1 1 98 . 4 1 1 A 32 32 LYS H H 47 8.691 8.599 0.092 1 1 99 . 4 1 1 A 32 32 LYS CA C 47 60.968 53.652 7.316 1 1 100 . 4 1 1 A 32 32 LYS CB C 47 32.534 32.853 -0.319 1 1 101 . 4 1 1 A 32 32 LYS N N 47 121.519 121.757 -0.238 1 1 102 . 4 1 1 A 33 33 LYS H H 48 7.234 8.182 -0.948 1 1 103 . 4 1 1 A 33 33 LYS CA C 48 59.734 54.211 5.523 1 1 104 . 4 1 1 A 33 33 LYS CB C 48 32.349 36.017 -3.668 1 1 105 . 4 1 1 A 33 33 LYS N N 48 119.937 123.472 -3.535 1 1 106 . 4 1 1 A 34 34 GLU H H 49 8.179 8.640 -0.461 1 1 107 . 4 1 1 A 34 34 GLU CA C 49 58.911 58.940 -0.029 1 1 108 . 4 1 1 A 34 34 GLU CB C 49 29.393 62.279 -32.886 1 1 109 . 4 1 1 A 34 34 GLU N N 49 121.748 116.739 5.009 1 1 110 . 4 1 1 A 35 35 ALA H H 50 9.142 8.365 0.777 1 1 111 . 4 1 1 A 35 35 ALA CA C 50 56.068 56.703 -0.635 1 1 112 . 4 1 1 A 35 35 ALA CB C 50 19.504 28.706 -9.202 1 1 113 . 4 1 1 A 35 35 ALA N N 50 125.093 124.003 1.090 1 1 114 . 4 1 1 A 36 36 ALA H H 51 7.548 8.677 -1.129 1 1 115 . 4 1 1 A 36 36 ALA CA C 51 54.765 58.410 -3.645 1 1 116 . 4 1 1 A 36 36 ALA CB C 51 18.095 27.838 -9.743 1 1 117 . 4 1 1 A 36 36 ALA N N 51 118.057 120.397 -2.340 1 1 118 . 4 1 1 A 37 37 ALA H H 52 7.517 8.817 -1.300 1 1 119 . 4 1 1 A 37 37 ALA CA C 52 54.200 47.023 7.177 1 1 121 . 4 1 1 A 37 37 ALA N N 52 118.541 111.456 7.085 1 1 122 . 4 1 1 A 38 38 SER H H 53 8.330 8.187 0.143 1 1 123 . 4 1 1 A 38 38 SER CA C 53 59.095 54.158 4.937 1 1 124 . 4 1 1 A 38 38 SER CB C 53 65.540 18.294 47.246 1 1 125 . 4 1 1 A 38 38 SER N N 53 110.905 124.208 -13.303 1 1 126 . 4 1 1 A 39 39 GLY H H 54 8.454 7.583 0.871 1 1 127 . 4 1 1 A 39 39 GLY CA C 54 46.559 59.988 -13.429 1 1 128 . 4 1 1 A 39 39 GLY N N 54 112.427 115.736 -3.309 1 1 129 . 4 1 1 A 40 40 LEU H H 55 7.580 7.560 0.020 1 1 130 . 4 1 1 A 40 40 LEU CA C 55 51.891 58.942 -7.051 1 1 131 . 4 1 1 A 40 40 LEU CB C 55 43.061 32.075 10.986 1 1 132 . 4 1 1 A 40 40 LEU N N 55 121.312 120.121 1.191 1 1 133 . 4 1 1 A 41 41 PRO CA C 56 61.426 54.306 7.120 1 1 134 . 4 1 1 A 41 41 PRO CB C 56 32.878 18.686 14.192 1 1 135 . 4 1 1 A 42 42 LEU H H 57 8.447 8.034 0.413 1 1 136 . 4 1 1 A 42 42 LEU CA C 57 55.025 57.644 -2.619 1 1 137 . 4 1 1 A 42 42 LEU CB C 57 44.360 40.569 3.791 1 1 138 . 4 1 1 A 42 42 LEU N N 57 116.186 119.454 -3.268 1 1 139 . 4 1 1 A 43 43 MET H H 58 8.610 7.733 0.877 1 1 140 . 4 1 1 A 43 43 MET CA C 58 54.951 59.498 -4.547 1 1 141 . 4 1 1 A 43 43 MET CB C 58 34.319 31.323 2.996 1 1 142 . 4 1 1 A 43 43 MET N N 58 124.827 118.619 6.208 1 1 144 . 4 1 1 A 44 44 VAL CA C 59 60.237 65.002 -4.765 1 1 145 . 4 1 1 A 44 44 VAL CB C 59 34.052 31.407 2.645 1 1 146 . 4 1 1 A 44 44 VAL N N 59 125.176 134.181 -9.005 1 1 147 . 4 1 1 A 45 45 ILE H H 60 8.512 8.513 -0.001 1 1 148 . 4 1 1 A 45 45 ILE CA C 60 60.138 58.754 1.384 1 1 149 . 4 1 1 A 45 45 ILE CB C 60 40.622 32.703 7.919 1 1 150 . 4 1 1 A 45 45 ILE N N 60 125.614 116.076 9.538 1 1 151 . 4 1 1 A 46 46 ILE H H 61 9.528 8.705 0.823 1 1 152 . 4 1 1 A 46 46 ILE CA C 61 61.356 60.893 0.463 1 1 153 . 4 1 1 A 46 46 ILE CB C 61 39.017 39.740 -0.723 1 1 154 . 4 1 1 A 46 46 ILE N N 61 130.237 121.335 8.902 1 1 155 . 4 1 1 A 47 47 HIS H H 62 8.926 8.350 0.576 1 1 156 . 4 1 1 A 47 47 HIS CA C 62 54.153 54.622 -0.469 1 1 157 . 4 1 1 A 47 47 HIS CB C 62 35.638 18.472 17.166 1 1 158 . 4 1 1 A 47 47 HIS N N 62 121.634 121.012 0.622 1 1 159 . 4 1 1 A 48 48 LYS H H 63 7.798 7.971 -0.173 1 1 160 . 4 1 1 A 48 48 LYS CA C 63 52.412 58.598 -6.186 1 1 161 . 4 1 1 A 48 48 LYS CB C 63 33.666 29.439 4.227 1 1 162 . 4 1 1 A 48 48 LYS N N 63 116.188 119.456 -3.268 1 1 163 . 4 1 1 A 49 49 SER H H 64 10.807 8.706 2.101 1 1 164 . 4 1 1 A 49 49 SER CA C 64 60.779 59.969 0.810 1 1 165 . 4 1 1 A 49 49 SER CB C 64 62.612 62.578 0.034 1 1 166 . 4 1 1 A 49 49 SER N N 64 121.963 114.592 7.371 1 1 167 . 4 1 1 A 50 50 TRP H H 65 6.564 7.997 -1.433 1 1 169 . 4 1 1 A 50 50 TRP CA C 65 54.246 65.765 -11.519 1 1 170 . 4 1 1 A 50 50 TRP CB C 65 29.500 68.240 -38.740 1 1 171 . 4 1 1 A 50 50 TRP N N 65 115.717 114.249 1.468 1 1 173 . 4 1 1 A 51 51 CYS H H 66 6.689 8.035 -1.346 1 1 174 . 4 1 1 A 51 51 CYS CA C 66 60.195 59.135 1.060 1 1 175 . 4 1 1 A 51 51 CYS CB C 66 30.909 29.236 1.673 1 1 176 . 4 1 1 A 51 51 CYS N N 66 125.894 120.069 5.825 1 1 177 . 4 1 1 A 52 52 GLY H H 67 9.301 7.852 1.449 1 1 178 . 4 1 1 A 52 52 GLY CA C 67 47.510 63.407 -15.897 1 1 179 . 4 1 1 A 52 52 GLY N N 67 119.542 121.773 -2.231 1 1 180 . 4 1 1 A 53 53 ALA H H 68 9.861 8.430 1.431 1 1 181 . 4 1 1 A 53 53 ALA CA C 68 55.404 61.214 -5.810 1 1 182 . 4 1 1 A 53 53 ALA CB C 68 18.521 62.339 -43.818 1 1 183 . 4 1 1 A 53 53 ALA N N 68 133.080 116.037 17.043 1 1 184 . 4 1 1 A 54 54 CYS H H 69 9.891 7.913 1.978 1 1 185 . 4 1 1 A 54 54 CYS CA C 69 64.497 59.268 5.229 1 1 186 . 4 1 1 A 54 54 CYS CB C 69 29.057 29.892 -0.835 1 1 187 . 4 1 1 A 54 54 CYS N N 69 127.404 119.578 7.826 1 1 188 . 4 1 1 A 55 55 LYS H H 70 8.059 7.979 0.080 1 1 189 . 4 1 1 A 55 55 LYS CA C 70 59.840 57.824 2.016 1 1 190 . 4 1 1 A 55 55 LYS CB C 70 32.942 41.121 -8.179 1 1 191 . 4 1 1 A 55 55 LYS N N 70 118.141 121.468 -3.327 1 1 192 . 4 1 1 A 56 56 ALA H H 71 7.517 8.026 -0.509 1 1 193 . 4 1 1 A 56 56 ALA CA C 71 53.989 61.877 -7.888 1 1 194 . 4 1 1 A 56 56 ALA CB C 71 18.501 62.839 -44.338 1 1 195 . 4 1 1 A 56 56 ALA N N 71 118.540 114.649 3.891 1 1 196 . 4 1 1 A 57 57 LEU H H 72 7.351 7.685 -0.334 1 1 197 . 4 1 1 A 57 57 LEU CA C 72 56.998 58.730 -1.732 1 1 198 . 4 1 1 A 57 57 LEU CB C 72 42.256 29.253 13.003 1 1 199 . 4 1 1 A 57 57 LEU N N 72 117.293 118.880 -1.587 1 1 200 . 4 1 1 A 58 58 LYS H H 73 7.101 8.354 -1.253 1 1 201 . 4 1 1 A 58 58 LYS CA C 73 62.302 55.709 6.593 1 1 202 . 4 1 1 A 58 58 LYS CB C 73 30.098 39.573 -9.475 1 1 203 . 4 1 1 A 58 58 LYS N N 73 115.956 115.959 -0.003 1 1 204 . 4 1 1 A 59 59 PRO CA C 74 65.581 56.252 9.329 1 1 205 . 4 1 1 A 59 59 PRO CB C 74 30.726 43.596 -12.870 1 1 206 . 4 1 1 A 60 60 LYS H H 75 6.694 8.515 -1.821 1 1 207 . 4 1 1 A 60 60 LYS CA C 75 58.353 59.902 -1.549 1 1 208 . 4 1 1 A 60 60 LYS CB C 75 32.606 35.920 -3.314 1 1 209 . 4 1 1 A 60 60 LYS N N 75 115.897 118.201 -2.304 1 1 210 . 4 1 1 A 61 61 PHE H H 76 8.285 8.691 -0.406 1 1 211 . 4 1 1 A 61 61 PHE CA C 76 60.241 55.715 4.526 1 1 212 . 4 1 1 A 61 61 PHE CB C 76 41.785 32.473 9.312 1 1 213 . 4 1 1 A 61 61 PHE N N 76 120.489 126.972 -6.483 1 1 214 . 4 1 1 A 62 62 ALA H H 77 9.036 8.415 0.621 1 1 215 . 4 1 1 A 62 62 ALA CA C 77 55.215 61.721 -6.506 1 1 216 . 4 1 1 A 62 62 ALA CB C 77 19.141 32.395 -13.254 1 1 217 . 4 1 1 A 62 62 ALA N N 77 119.890 125.099 -5.209 1 1 218 . 4 1 1 A 63 63 GLU H H 78 7.541 8.962 -1.421 1 1 219 . 4 1 1 A 63 63 GLU CA C 78 55.965 52.629 3.336 1 1 220 . 4 1 1 A 63 63 GLU CB C 78 29.630 39.340 -9.710 1 1 221 . 4 1 1 A 63 63 GLU N N 78 111.511 125.393 -13.882 1 1 222 . 4 1 1 A 64 64 SER H H 79 6.861 8.642 -1.781 1 1 223 . 4 1 1 A 64 64 SER CA C 79 57.323 54.280 3.043 1 1 224 . 4 1 1 A 64 64 SER CB C 79 63.306 44.125 19.181 1 1 225 . 4 1 1 A 64 64 SER N N 79 111.856 129.086 -17.230 1 1 226 . 4 1 1 A 65 65 THR H H 80 9.169 8.379 0.790 1 1 227 . 4 1 1 A 65 65 THR CA C 80 65.335 54.225 11.110 1 1 228 . 4 1 1 A 65 65 THR CB C 80 68.216 32.668 35.548 1 1 229 . 4 1 1 A 65 65 THR N N 80 129.658 126.680 2.978 1 1 230 . 4 1 1 A 66 66 GLU H H 81 8.354 8.666 -0.312 1 1 231 . 4 1 1 A 66 66 GLU CA C 81 60.236 57.300 2.936 1 1 232 . 4 1 1 A 66 66 GLU CB C 81 30.136 40.376 -10.240 1 1 233 . 4 1 1 A 66 66 GLU N N 81 123.573 124.150 -0.577 1 1 234 . 4 1 1 A 67 67 ILE H H 82 7.922 8.533 -0.611 1 1 235 . 4 1 1 A 67 67 ILE CA C 82 66.084 59.288 6.796 1 1 236 . 4 1 1 A 67 67 ILE CB C 82 37.806 29.019 8.787 1 1 237 . 4 1 1 A 67 67 ILE N N 82 119.503 116.634 2.869 1 1 238 . 4 1 1 A 68 68 SER H H 83 7.214 7.585 -0.371 1 1 239 . 4 1 1 A 68 68 SER CA C 83 63.512 54.789 8.723 1 1 240 . 4 1 1 A 68 68 SER CB C 83 62.330 33.639 28.691 1 1 241 . 4 1 1 A 68 68 SER N N 83 112.464 119.389 -6.925 1 1 242 . 4 1 1 A 69 69 GLU H H 84 8.224 8.887 -0.663 1 1 243 . 4 1 1 A 69 69 GLU CA C 84 59.597 53.542 6.055 1 1 244 . 4 1 1 A 69 69 GLU CB C 84 29.640 29.678 -0.038 1 1 245 . 4 1 1 A 69 69 GLU N N 84 120.267 118.282 1.985 1 1 247 . 4 1 1 A 70 70 LEU CA C 85 57.423 63.158 -5.735 1 1 248 . 4 1 1 A 70 70 LEU CB C 85 42.942 31.517 11.425 1 1 249 . 4 1 1 A 70 70 LEU N N 85 119.797 137.917 -18.120 1 1 250 . 4 1 1 A 71 71 SER H H 86 8.580 8.422 0.158 1 1 251 . 4 1 1 A 71 71 SER CA C 86 62.310 56.675 5.635 1 1 252 . 4 1 1 A 71 71 SER CB C 86 62.306 32.040 30.266 1 1 253 . 4 1 1 A 71 71 SER N N 86 114.965 122.838 -7.873 1 1 254 . 4 1 1 A 72 72 HIS H H 87 7.189 8.405 -1.216 1 1 255 . 4 1 1 A 72 72 HIS CA C 87 57.593 53.289 4.304 1 1 256 . 4 1 1 A 72 72 HIS CB C 87 28.816 42.143 -13.327 1 1 257 . 4 1 1 A 72 72 HIS N N 87 119.159 124.538 -5.379 1 1 258 . 4 1 1 A 73 73 ASN H H 88 8.148 8.601 -0.453 1 1 261 . 4 1 1 A 73 73 ASN CA C 88 52.994 56.451 -3.457 1 1 262 . 4 1 1 A 73 73 ASN CB C 88 38.894 30.560 8.334 1 1 263 . 4 1 1 A 73 73 ASN N N 88 116.602 117.272 -0.670 1 1 265 . 4 1 1 A 74 74 PHE H H 89 7.623 7.950 -0.327 1 1 266 . 4 1 1 A 74 74 PHE CA C 89 56.882 57.321 -0.439 1 1 267 . 4 1 1 A 74 74 PHE CB C 89 44.873 40.325 4.548 1 1 268 . 4 1 1 A 74 74 PHE N N 89 114.645 120.334 -5.689 1 1 269 . 4 1 1 A 75 75 VAL H H 90 8.952 8.082 0.870 1 1 270 . 4 1 1 A 75 75 VAL CA C 90 63.301 59.512 3.789 1 1 271 . 4 1 1 A 75 75 VAL CB C 90 31.213 38.038 -6.825 1 1 272 . 4 1 1 A 75 75 VAL N N 90 120.004 116.666 3.338 1 1 273 . 4 1 1 A 76 76 MET H H 91 7.486 7.854 -0.368 1 1 274 . 4 1 1 A 76 76 MET CA C 91 53.528 55.604 -2.076 1 1 275 . 4 1 1 A 76 76 MET CB C 91 30.717 62.568 -31.851 1 1 276 . 4 1 1 A 76 76 MET N N 91 129.189 115.072 14.117 1 1 278 . 4 1 1 A 77 77 VAL CA C 92 60.953 62.671 -1.718 1 1 279 . 4 1 1 A 77 77 VAL CB C 92 37.090 29.508 7.582 1 1 280 . 4 1 1 A 77 77 VAL N N 92 122.955 138.601 -15.646 1 1 281 . 4 1 1 A 78 78 ASN H H 93 10.248 8.190 2.058 1 1 283 . 4 1 1 A 78 78 ASN CA C 93 52.125 55.241 -3.116 1 1 284 . 4 1 1 A 78 78 ASN CB C 93 41.857 43.795 -1.938 1 1 285 . 4 1 1 A 78 78 ASN N N 93 126.507 120.325 6.182 1 1 287 . 4 1 1 A 79 79 LEU H H 94 9.104 7.646 1.458 1 1 288 . 4 1 1 A 79 79 LEU CA C 94 52.410 45.444 6.966 1 1 290 . 4 1 1 A 79 79 LEU N N 94 123.073 104.160 18.913 1 1 291 . 4 1 1 A 80 80 GLU H H 95 9.161 8.047 1.114 1 1 292 . 4 1 1 A 80 80 GLU CA C 95 53.391 45.397 7.994 1 1 294 . 4 1 1 A 80 80 GLU N N 95 125.765 110.804 14.961 1 1 295 . 4 1 1 A 81 81 ASP H H 96 8.107 7.287 0.820 1 1 296 . 4 1 1 A 81 81 ASP CA C 96 57.563 57.776 -0.213 1 1 297 . 4 1 1 A 81 81 ASP CB C 96 38.605 39.826 -1.221 1 1 298 . 4 1 1 A 81 81 ASP N N 96 126.380 118.769 7.611 1 1 299 . 4 1 1 A 82 82 GLU H H 97 8.836 8.743 0.093 1 1 300 . 4 1 1 A 82 82 GLU CA C 97 58.555 57.509 1.046 1 1 301 . 4 1 1 A 82 82 GLU CB C 97 28.422 40.567 -12.145 1 1 302 . 4 1 1 A 82 82 GLU N N 97 123.966 114.528 9.438 1 1 304 . 4 1 1 A 83 83 GLU CA C 98 56.619 62.455 -5.836 1 1 305 . 4 1 1 A 83 83 GLU CB C 98 30.722 32.909 -2.187 1 1 306 . 4 1 1 A 83 83 GLU N N 98 118.069 143.750 -25.681 1 1 307 . 4 1 1 A 84 84 GLU H H 99 7.298 8.349 -1.051 1 1 308 . 4 1 1 A 84 84 GLU CA C 99 54.482 54.425 0.057 1 1 309 . 4 1 1 A 84 84 GLU CB C 99 29.535 34.055 -4.520 1 1 310 . 4 1 1 A 84 84 GLU N N 99 119.571 121.444 -1.873 1 1 311 . 4 1 1 A 85 85 PRO CA C 100 62.512 59.244 3.268 1 1 312 . 4 1 1 A 85 85 PRO CB C 100 32.805 39.706 -6.901 1 1 313 . 4 1 1 A 86 86 LYS H H 101 8.640 8.218 0.422 1 1 314 . 4 1 1 A 86 86 LYS CA C 101 55.615 53.637 1.978 1 1 315 . 4 1 1 A 86 86 LYS CB C 101 31.117 45.010 -13.893 1 1 316 . 4 1 1 A 86 86 LYS N N 101 122.999 121.264 1.735 1 1 317 . 4 1 1 A 87 87 ASP H H 102 7.395 8.201 -0.806 1 1 318 . 4 1 1 A 87 87 ASP CA C 102 54.233 57.397 -3.164 1 1 319 . 4 1 1 A 87 87 ASP CB C 102 42.084 41.350 0.734 1 1 320 . 4 1 1 A 87 87 ASP N N 102 119.006 120.211 -1.205 1 1 321 . 4 1 1 A 88 88 GLU H H 103 9.217 8.608 0.609 1 1 322 . 4 1 1 A 88 88 GLU CA C 103 58.996 53.392 5.604 1 1 323 . 4 1 1 A 88 88 GLU CB C 103 29.226 45.666 -16.440 1 1 324 . 4 1 1 A 88 88 GLU N N 103 127.412 117.816 9.596 1 1 325 . 4 1 1 A 89 89 ASP H H 104 9.043 8.222 0.821 1 1 326 . 4 1 1 A 89 89 ASP CA C 104 56.138 52.505 3.633 1 1 327 . 4 1 1 A 89 89 ASP CB C 104 39.487 40.398 -0.911 1 1 328 . 4 1 1 A 89 89 ASP N N 104 121.056 119.450 1.606 1 1 330 . 4 1 1 A 90 90 PHE CA C 105 58.124 62.620 -4.496 1 1 331 . 4 1 1 A 90 90 PHE CB C 105 38.909 30.247 8.662 1 1 332 . 4 1 1 A 90 90 PHE N N 105 111.473 138.533 -27.060 1 1 333 . 4 1 1 A 91 91 SER H H 106 7.907 8.585 -0.678 1 1 334 . 4 1 1 A 91 91 SER CA C 106 55.565 58.178 -2.613 1 1 335 . 4 1 1 A 91 91 SER CB C 106 63.139 65.196 -2.057 1 1 336 . 4 1 1 A 91 91 SER N N 106 115.544 114.000 1.544 1 1 337 . 4 1 1 A 92 92 PRO CA C 107 65.329 45.412 19.917 1 1 339 . 4 1 1 A 93 93 ASP H H 108 9.095 7.531 1.564 1 1 340 . 4 1 1 A 93 93 ASP CA C 108 52.726 55.064 -2.338 1 1 341 . 4 1 1 A 93 93 ASP CB C 108 40.551 33.257 7.294 1 1 342 . 4 1 1 A 93 93 ASP N N 108 115.482 120.194 -4.712 1 1 343 . 4 1 1 A 94 94 GLY H H 109 6.947 7.962 -1.015 1 1 344 . 4 1 1 A 94 94 GLY CA C 109 44.385 63.653 -19.268 1 1 345 . 4 1 1 A 94 94 GLY N N 109 106.691 123.677 -16.986 1 1 346 . 4 1 1 A 95 95 GLY H H 110 8.423 8.287 0.136 1 1 347 . 4 1 1 A 95 95 GLY CA C 110 45.873 53.646 -7.773 1 1 348 . 4 1 1 A 95 95 GLY N N 110 107.178 126.615 -19.437 1 1 350 . 4 1 1 A 96 96 TYR CA C 111 55.619 63.410 -7.791 1 1 351 . 4 1 1 A 96 96 TYR CB C 111 38.312 30.350 7.962 1 1 352 . 4 1 1 A 96 96 TYR N N 111 116.246 141.646 -25.400 1 1 353 . 4 1 1 A 97 97 ILE H H 112 7.878 9.720 -1.842 1 1 354 . 4 1 1 A 97 97 ILE CA C 112 58.650 57.898 0.752 1 1 355 . 4 1 1 A 97 97 ILE N N 112 113.713 119.720 -6.007 1 1 356 . 4 1 1 A 98 98 PRO CA C 113 62.337 61.619 0.718 1 1 357 . 4 1 1 A 98 98 PRO CB C 113 34.315 36.518 -2.203 1 1 358 . 4 1 1 A 99 99 ARG H H 114 8.514 8.201 0.313 1 1 359 . 4 1 1 A 99 99 ARG CA C 114 54.460 59.091 -4.631 1 1 360 . 4 1 1 A 99 99 ARG CB C 114 34.399 38.823 -4.424 1 1 361 . 4 1 1 A 99 99 ARG N N 114 117.550 123.912 -6.362 1 1 362 . 4 1 1 A 100 100 ILE H H 115 8.819 8.433 0.386 1 1 363 . 4 1 1 A 100 100 ILE CA C 115 60.937 51.620 9.317 1 1 364 . 4 1 1 A 100 100 ILE CB C 115 39.021 37.277 1.744 1 1 365 . 4 1 1 A 100 100 ILE N N 115 122.056 121.851 0.205 1 1 366 . 4 1 1 A 101 101 LEU H H 116 8.692 8.494 0.198 1 1 367 . 4 1 1 A 101 101 LEU CA C 116 52.377 59.237 -6.860 1 1 368 . 4 1 1 A 101 101 LEU CB C 116 46.493 29.517 16.976 1 1 369 . 4 1 1 A 101 101 LEU N N 116 127.243 124.947 2.296 1 1 370 . 4 1 1 A 102 102 PHE H H 117 9.004 7.820 1.184 1 1 371 . 4 1 1 A 102 102 PHE CA C 117 57.076 54.055 3.021 1 1 372 . 4 1 1 A 102 102 PHE CB C 117 42.048 38.785 3.263 1 1 373 . 4 1 1 A 102 102 PHE N N 117 116.784 118.025 -1.241 1 1 374 . 4 1 1 A 103 103 LEU H H 118 9.303 8.348 0.955 1 1 375 . 4 1 1 A 103 103 LEU CA C 118 53.487 44.066 9.421 1 1 377 . 4 1 1 A 103 103 LEU N N 118 124.741 107.976 16.765 1 1 378 . 4 1 1 A 104 104 ASP H H 119 8.351 8.471 -0.120 1 1 379 . 4 1 1 A 104 104 ASP CA C 119 52.555 51.827 0.728 1 1 380 . 4 1 1 A 104 104 ASP CB C 119 39.406 37.942 1.464 1 1 381 . 4 1 1 A 104 104 ASP N N 119 117.539 117.867 -0.328 1 1 382 . 4 1 1 A 105 105 PRO CA C 120 65.106 62.752 2.354 1 1 383 . 4 1 1 A 105 105 PRO CB C 120 31.459 29.552 1.907 1 1 384 . 4 1 1 A 106 106 SER H H 121 8.229 8.568 -0.339 1 1 385 . 4 1 1 A 106 106 SER CA C 121 58.891 58.889 0.002 1 1 386 . 4 1 1 A 106 106 SER CB C 121 64.061 65.874 -1.813 1 1 387 . 4 1 1 A 106 106 SER N N 121 111.546 115.669 -4.123 1 1 388 . 4 1 1 A 107 107 GLY H H 122 8.970 8.158 0.812 1 1 389 . 4 1 1 A 107 107 GLY CA C 122 45.417 60.050 -14.633 1 1 390 . 4 1 1 A 107 107 GLY N N 122 111.616 120.281 -8.665 1 1 391 . 4 1 1 A 108 108 LYS H H 123 7.405 7.785 -0.380 1 1 392 . 4 1 1 A 108 108 LYS CA C 123 54.729 58.434 -3.705 1 1 393 . 4 1 1 A 108 108 LYS CB C 123 32.929 31.018 1.911 1 1 394 . 4 1 1 A 108 108 LYS N N 123 120.930 116.341 4.589 1 1 395 . 4 1 1 A 109 109 VAL H H 124 8.875 8.301 0.574 1 1 396 . 4 1 1 A 109 109 VAL CA C 124 64.103 60.782 3.321 1 1 397 . 4 1 1 A 109 109 VAL CB C 124 32.249 38.011 -5.762 1 1 398 . 4 1 1 A 109 109 VAL N N 124 126.925 120.054 6.871 1 1 399 . 4 1 1 A 110 110 HIS H H 125 8.911 7.706 1.205 1 1 400 . 4 1 1 A 110 110 HIS CA C 125 54.469 59.384 -4.915 1 1 401 . 4 1 1 A 110 110 HIS CB C 125 28.893 39.652 -10.759 1 1 402 . 4 1 1 A 110 110 HIS N N 125 127.112 121.550 5.562 1 1 403 . 4 1 1 A 111 111 PRO CA C 126 63.311 56.113 7.198 1 1 404 . 4 1 1 A 111 111 PRO CB C 126 32.232 42.676 -10.444 1 1 405 . 4 1 1 A 112 112 GLU H H 127 10.959 8.530 2.429 1 1 406 . 4 1 1 A 112 112 GLU CA C 127 57.439 60.784 -3.345 1 1 407 . 4 1 1 A 112 112 GLU CB C 127 27.174 31.422 -4.248 1 1 408 . 4 1 1 A 112 112 GLU N N 127 123.144 119.209 3.935 1 1 409 . 4 1 1 A 113 113 ILE H H 128 7.493 7.976 -0.483 1 1 410 . 4 1 1 A 113 113 ILE CA C 128 61.518 57.301 4.217 1 1 411 . 4 1 1 A 113 113 ILE CB C 128 35.365 65.767 -30.402 1 1 412 . 4 1 1 A 113 113 ILE N N 128 123.479 116.740 6.739 1 1 413 . 4 1 1 A 114 114 ILE H H 129 8.300 9.022 -0.722 1 1 414 . 4 1 1 A 114 114 ILE CA C 129 59.109 54.696 4.413 1 1 415 . 4 1 1 A 114 114 ILE CB C 129 42.309 18.291 24.018 1 1 416 . 4 1 1 A 114 114 ILE N N 129 123.439 129.506 -6.067 1 1 417 . 4 1 1 A 115 115 ASN H H 130 8.622 7.810 0.812 1 1 420 . 4 1 1 A 115 115 ASN CA C 130 51.381 59.151 -7.770 1 1 421 . 4 1 1 A 115 115 ASN CB C 130 35.215 29.256 5.959 1 1 422 . 4 1 1 A 115 115 ASN N N 130 114.712 119.698 -4.986 1 1 424 . 4 1 1 A 116 116 GLU H H 131 8.463 8.160 0.303 1 1 425 . 4 1 1 A 116 116 GLU CA C 131 58.882 58.889 -0.007 1 1 426 . 4 1 1 A 116 116 GLU CB C 131 29.606 28.517 1.089 1 1 427 . 4 1 1 A 116 116 GLU N N 131 127.900 118.657 9.243 1 1 428 . 4 1 1 A 117 117 ASN H H 132 7.545 7.720 -0.175 1 1 431 . 4 1 1 A 117 117 ASN CA C 132 52.960 65.728 -12.768 1 1 432 . 4 1 1 A 117 117 ASN CB C 132 39.777 31.480 8.297 1 1 433 . 4 1 1 A 117 117 ASN N N 132 113.958 116.146 -2.188 1 1 435 . 4 1 1 A 118 118 GLY H H 133 7.109 7.475 -0.366 1 1 436 . 4 1 1 A 118 118 GLY CA C 133 44.662 65.010 -20.348 1 1 437 . 4 1 1 A 118 118 GLY N N 133 107.288 122.380 -15.092 1 1 438 . 4 1 1 A 119 119 ASN H H 134 8.795 8.391 0.404 1 1 441 . 4 1 1 A 119 119 ASN CA C 134 50.277 58.136 -7.859 1 1 442 . 4 1 1 A 119 119 ASN CB C 134 40.102 27.892 12.210 1 1 443 . 4 1 1 A 119 119 ASN N N 134 122.889 119.428 3.461 1 1 445 . 4 1 1 A 120 120 PRO CA C 135 64.320 46.669 17.651 1 1 447 . 4 1 1 A 121 121 SER H H 136 8.260 7.764 0.496 1 1 448 . 4 1 1 A 121 121 SER CA C 136 60.199 58.223 1.976 1 1 449 . 4 1 1 A 121 121 SER CB C 136 63.228 32.220 31.008 1 1 450 . 4 1 1 A 121 121 SER N N 136 113.554 120.670 -7.116 1 1 451 . 4 1 1 A 122 122 TYR H H 137 7.580 8.683 -1.103 1 1 452 . 4 1 1 A 122 122 TYR CA C 137 54.584 58.368 -3.784 1 1 453 . 4 1 1 A 122 122 TYR CB C 137 38.872 31.369 7.503 1 1 454 . 4 1 1 A 122 122 TYR N N 137 119.864 118.194 1.670 1 1 455 . 4 1 1 A 123 123 LYS H H 138 9.556 7.877 1.679 1 1 456 . 4 1 1 A 123 123 LYS CA C 138 60.415 58.672 1.743 1 1 457 . 4 1 1 A 123 123 LYS CB C 138 31.945 30.252 1.693 1 1 458 . 4 1 1 A 123 123 LYS N N 138 123.955 119.869 4.086 1 1 459 . 4 1 1 A 124 124 TYR H H 139 8.486 7.977 0.509 1 1 460 . 4 1 1 A 124 124 TYR CA C 139 56.009 54.790 1.219 1 1 461 . 4 1 1 A 124 124 TYR CB C 139 37.666 18.315 19.351 1 1 462 . 4 1 1 A 124 124 TYR N N 139 113.738 121.380 -7.642 1 1 463 . 4 1 1 A 125 125 PHE H H 140 7.562 8.086 -0.524 1 1 464 . 4 1 1 A 125 125 PHE CA C 140 56.561 57.207 -0.646 1 1 465 . 4 1 1 A 125 125 PHE CB C 140 40.897 27.174 13.723 1 1 466 . 4 1 1 A 125 125 PHE N N 140 122.592 115.352 7.240 1 1 467 . 4 1 1 A 126 126 TYR H H 141 8.133 8.485 -0.352 1 1 468 . 4 1 1 A 126 126 TYR CA C 141 57.326 56.527 0.799 1 1 469 . 4 1 1 A 126 126 TYR CB C 141 41.768 30.987 10.781 1 1 470 . 4 1 1 A 126 126 TYR N N 141 129.225 116.682 12.543 1 1 471 . 4 1 1 A 127 127 VAL H H 142 8.081 7.870 0.211 1 1 472 . 4 1 1 A 127 127 VAL CA C 142 61.414 57.443 3.971 1 1 473 . 4 1 1 A 127 127 VAL CB C 142 34.245 31.138 3.107 1 1 474 . 4 1 1 A 127 127 VAL N N 142 112.892 119.173 -6.281 1 1 475 . 4 1 1 A 128 128 SER H H 143 7.362 7.397 -0.035 1 1 476 . 4 1 1 A 128 128 SER CA C 143 55.028 54.767 0.261 1 1 477 . 4 1 1 A 128 128 SER CB C 143 67.261 43.038 24.223 1 1 478 . 4 1 1 A 128 128 SER N N 143 112.848 115.870 -3.022 1 1 479 . 4 1 1 A 129 129 ALA H H 144 9.331 7.570 1.761 1 1 480 . 4 1 1 A 129 129 ALA CA C 144 55.568 63.526 -7.958 1 1 481 . 4 1 1 A 129 129 ALA CB C 144 18.005 68.291 -50.286 1 1 482 . 4 1 1 A 129 129 ALA N N 144 124.250 114.897 9.353 1 1 483 . 4 1 1 A 130 130 GLU H H 145 9.152 8.627 0.525 1 1 484 . 4 1 1 A 130 130 GLU CA C 145 60.626 44.757 15.869 1 1 486 . 4 1 1 A 130 130 GLU N N 145 116.980 113.383 3.597 1 1 487 . 4 1 1 A 131 131 GLN H H 146 7.621 8.528 -0.907 1 1 490 . 4 1 1 A 131 131 GLN CA C 146 58.552 53.024 5.528 1 1 491 . 4 1 1 A 131 131 GLN CB C 146 29.038 41.842 -12.804 1 1 492 . 4 1 1 A 131 131 GLN N N 146 117.565 125.300 -7.735 1 1 494 . 4 1 1 A 132 132 VAL H H 147 7.780 8.138 -0.358 1 1 495 . 4 1 1 A 132 132 VAL CA C 147 66.928 51.750 15.178 1 1 496 . 4 1 1 A 132 132 VAL CB C 147 31.324 18.996 12.328 1 1 497 . 4 1 1 A 132 132 VAL N N 147 121.486 122.751 -1.265 1 1 498 . 4 1 1 A 133 133 VAL H H 148 8.609 7.321 1.288 1 1 499 . 4 1 1 A 133 133 VAL CA C 148 67.053 57.374 9.679 1 1 500 . 4 1 1 A 133 133 VAL CB C 148 31.927 40.368 -8.441 1 1 501 . 4 1 1 A 133 133 VAL N N 148 119.560 114.547 5.013 1 1 502 . 4 1 1 A 134 134 GLN H H 149 7.365 7.695 -0.330 1 1 505 . 4 1 1 A 134 134 GLN CA C 149 59.382 59.597 -0.215 1 1 506 . 4 1 1 A 134 134 GLN CB C 149 27.860 29.562 -1.702 1 1 507 . 4 1 1 A 134 134 GLN N N 149 117.080 121.491 -4.411 1 1 509 . 4 1 1 A 135 135 GLY H H 150 8.085 7.889 0.196 1 1 510 . 4 1 1 A 135 135 GLY CA C 150 47.499 56.803 -9.304 1 1 511 . 4 1 1 A 135 135 GLY N N 150 107.849 114.309 -6.460 1 1 512 . 4 1 1 A 136 136 MET H H 151 8.593 7.445 1.148 1 1 513 . 4 1 1 A 136 136 MET CA C 151 59.730 56.472 3.258 1 1 514 . 4 1 1 A 136 136 MET CB C 151 35.435 32.515 2.920 1 1 515 . 4 1 1 A 136 136 MET N N 151 119.390 118.545 0.845 1 1 516 . 4 1 1 A 137 137 LYS H H 152 8.591 8.828 -0.237 1 1 517 . 4 1 1 A 137 137 LYS CA C 152 60.659 59.074 1.585 1 1 518 . 4 1 1 A 137 137 LYS CB C 152 32.617 30.799 1.818 1 1 519 . 4 1 1 A 137 137 LYS N N 152 119.226 121.784 -2.558 1 1 520 . 4 1 1 A 138 138 GLU H H 153 7.870 7.777 0.093 1 1 521 . 4 1 1 A 138 138 GLU CA C 153 59.134 55.874 3.260 1 1 522 . 4 1 1 A 138 138 GLU CB C 153 28.879 42.682 -13.803 1 1 523 . 4 1 1 A 138 138 GLU N N 153 120.709 119.417 1.292 1 1 524 . 4 1 1 A 139 139 ALA H H 154 8.493 8.456 0.037 1 1 525 . 4 1 1 A 139 139 ALA CA C 154 55.450 54.829 0.621 1 1 526 . 4 1 1 A 139 139 ALA CB C 154 18.695 31.675 -12.980 1 1 527 . 4 1 1 A 139 139 ALA N N 154 120.598 124.735 -4.137 1 1 528 . 4 1 1 A 140 140 GLN H H 155 8.582 8.921 -0.339 1 1 531 . 4 1 1 A 140 140 GLN CA C 155 59.239 54.759 4.480 1 1 532 . 4 1 1 A 140 140 GLN CB C 155 28.027 40.726 -12.699 1 1 533 . 4 1 1 A 140 140 GLN N N 155 116.438 122.661 -6.223 1 1 535 . 4 1 1 A 141 141 GLU H H 156 7.563 8.569 -1.006 1 1 536 . 4 1 1 A 141 141 GLU CA C 156 58.896 57.542 1.354 1 1 537 . 4 1 1 A 141 141 GLU CB C 156 29.885 31.695 -1.810 1 1 538 . 4 1 1 A 141 141 GLU N N 156 118.759 118.874 -0.115 1 1 1 . 5 1 1 A 7 7 HIS CA C 22 56.307 54.019 2.288 1 1 2 . 5 1 1 A 7 7 HIS CB C 22 30.341 31.020 -0.679 1 1 3 . 5 1 1 A 8 8 MET H H 23 8.449 7.896 0.553 1 1 4 . 5 1 1 A 8 8 MET CA C 23 55.742 61.538 -5.796 1 1 5 . 5 1 1 A 8 8 MET CB C 23 32.842 39.079 -6.237 1 1 6 . 5 1 1 A 8 8 MET N N 23 122.176 122.785 -0.609 1 1 7 . 5 1 1 A 9 9 SER H H 24 8.428 6.276 2.152 1 1 8 . 5 1 1 A 9 9 SER CA C 24 58.412 54.910 3.502 1 1 9 . 5 1 1 A 9 9 SER CB C 24 63.900 28.431 35.469 1 1 10 . 5 1 1 A 9 9 SER N N 24 116.789 117.778 -0.989 1 1 11 . 5 1 1 A 10 10 ASP H H 25 8.382 7.198 1.184 1 1 12 . 5 1 1 A 10 10 ASP CA C 25 54.487 56.668 -2.181 1 1 13 . 5 1 1 A 10 10 ASP CB C 25 41.285 31.734 9.551 1 1 14 . 5 1 1 A 10 10 ASP N N 25 122.384 118.573 3.811 1 1 15 . 5 1 1 A 11 11 GLY H H 26 8.363 7.854 0.509 1 1 16 . 5 1 1 A 11 11 GLY CA C 26 45.546 58.553 -13.007 1 1 17 . 5 1 1 A 11 11 GLY N N 26 108.671 121.158 -12.487 1 1 18 . 5 1 1 A 12 12 HIS H H 27 8.350 7.466 0.884 1 1 19 . 5 1 1 A 12 12 HIS CA C 27 56.103 61.028 -4.925 1 1 20 . 5 1 1 A 12 12 HIS CB C 27 29.813 71.370 -41.557 1 1 21 . 5 1 1 A 12 12 HIS N N 27 118.814 111.867 6.947 1 1 22 . 5 1 1 A 13 13 ASN H H 28 8.505 8.596 -0.091 1 1 25 . 5 1 1 A 13 13 ASN CA C 28 53.482 57.951 -4.469 1 1 26 . 5 1 1 A 13 13 ASN CB C 28 39.386 42.110 -2.724 1 1 27 . 5 1 1 A 13 13 ASN N N 28 119.523 128.271 -8.748 1 1 29 . 5 1 1 A 14 14 GLY H H 29 8.743 8.042 0.701 1 1 30 . 5 1 1 A 14 14 GLY CA C 29 45.534 59.203 -13.669 1 1 31 . 5 1 1 A 14 14 GLY N N 29 110.136 119.123 -8.987 1 1 32 . 5 1 1 A 15 15 LEU H H 30 8.466 8.441 0.025 1 1 33 . 5 1 1 A 15 15 LEU CA C 30 56.146 57.090 -0.944 1 1 34 . 5 1 1 A 15 15 LEU CB C 30 42.864 41.095 1.769 1 1 35 . 5 1 1 A 15 15 LEU N N 30 120.511 119.263 1.248 1 1 36 . 5 1 1 A 16 16 GLY H H 31 8.886 8.027 0.859 1 1 37 . 5 1 1 A 16 16 GLY CA C 31 47.064 47.245 -0.181 1 1 38 . 5 1 1 A 16 16 GLY N N 31 108.073 107.314 0.759 1 1 39 . 5 1 1 A 17 17 LYS H H 32 7.854 7.895 -0.041 1 1 40 . 5 1 1 A 17 17 LYS CA C 32 55.661 58.912 -3.251 1 1 41 . 5 1 1 A 17 17 LYS CB C 32 29.379 32.130 -2.751 1 1 42 . 5 1 1 A 17 17 LYS N N 32 110.952 121.771 -10.819 1 1 43 . 5 1 1 A 18 18 GLY H H 33 8.095 7.670 0.425 1 1 44 . 5 1 1 A 18 18 GLY CA C 33 44.893 59.612 -14.719 1 1 45 . 5 1 1 A 18 18 GLY N N 33 103.957 118.722 -14.765 1 1 46 . 5 1 1 A 19 19 PHE H H 34 7.887 8.207 -0.320 1 1 47 . 5 1 1 A 19 19 PHE CA C 34 61.146 59.145 2.001 1 1 48 . 5 1 1 A 19 19 PHE CB C 34 38.963 29.475 9.488 1 1 49 . 5 1 1 A 19 19 PHE N N 34 117.883 118.767 -0.884 1 1 50 . 5 1 1 A 20 20 GLY H H 35 7.696 8.319 -0.623 1 1 51 . 5 1 1 A 20 20 GLY CA C 35 45.189 54.815 -9.626 1 1 52 . 5 1 1 A 20 20 GLY N N 35 102.668 121.561 -18.893 1 1 53 . 5 1 1 A 21 21 ASP H H 36 9.284 7.724 1.560 1 1 54 . 5 1 1 A 21 21 ASP CA C 36 56.026 54.924 1.102 1 1 55 . 5 1 1 A 21 21 ASP CB C 36 40.543 18.493 22.050 1 1 56 . 5 1 1 A 21 21 ASP N N 36 129.289 119.979 9.310 1 1 57 . 5 1 1 A 22 22 HIS H H 37 9.058 8.239 0.819 1 1 58 . 5 1 1 A 22 22 HIS CA C 37 56.628 55.295 1.333 1 1 59 . 5 1 1 A 22 22 HIS CB C 37 29.941 18.796 11.145 1 1 60 . 5 1 1 A 22 22 HIS N N 37 116.742 120.365 -3.623 1 1 61 . 5 1 1 A 23 23 ILE H H 38 6.449 7.319 -0.870 1 1 62 . 5 1 1 A 23 23 ILE CA C 38 59.183 59.192 -0.009 1 1 63 . 5 1 1 A 23 23 ILE CB C 38 39.408 63.607 -24.199 1 1 64 . 5 1 1 A 23 23 ILE N N 38 124.704 112.075 12.629 1 1 65 . 5 1 1 A 24 24 HIS H H 39 7.857 8.178 -0.321 1 1 66 . 5 1 1 A 24 24 HIS CA C 39 52.931 46.203 6.728 1 1 68 . 5 1 1 A 24 24 HIS N N 39 124.600 109.592 15.008 1 1 69 . 5 1 1 A 25 25 TRP H H 40 8.032 7.681 0.351 1 1 71 . 5 1 1 A 25 25 TRP CA C 40 57.058 51.748 5.310 1 1 72 . 5 1 1 A 25 25 TRP CB C 40 30.411 42.431 -12.020 1 1 73 . 5 1 1 A 25 25 TRP N N 40 130.002 118.034 11.968 1 1 76 . 5 1 1 A 26 26 ARG CA C 41 54.500 62.289 -7.789 1 1 77 . 5 1 1 A 26 26 ARG CB C 41 35.055 32.082 2.973 1 1 78 . 5 1 1 A 26 26 ARG N N 41 122.005 135.897 -13.892 1 1 79 . 5 1 1 A 27 27 THR H H 42 8.562 8.085 0.477 1 1 80 . 5 1 1 A 27 27 THR CA C 42 61.294 53.812 7.482 1 1 81 . 5 1 1 A 27 27 THR CB C 42 70.325 43.271 27.054 1 1 82 . 5 1 1 A 27 27 THR N N 42 111.261 121.828 -10.567 1 1 83 . 5 1 1 A 28 28 LEU H H 43 8.994 9.237 -0.243 1 1 84 . 5 1 1 A 28 28 LEU CA C 43 59.121 53.754 5.367 1 1 85 . 5 1 1 A 28 28 LEU CB C 43 41.515 33.276 8.239 1 1 86 . 5 1 1 A 28 28 LEU N N 43 121.976 122.540 -0.564 1 1 87 . 5 1 1 A 29 29 GLU H H 44 8.759 8.389 0.370 1 1 88 . 5 1 1 A 29 29 GLU CA C 44 59.928 62.512 -2.584 1 1 89 . 5 1 1 A 29 29 GLU CB C 44 29.342 30.510 -1.168 1 1 90 . 5 1 1 A 29 29 GLU N N 44 116.492 125.581 -9.089 1 1 91 . 5 1 1 A 30 30 ASP H H 45 7.692 8.982 -1.290 1 1 92 . 5 1 1 A 30 30 ASP CA C 45 57.131 60.376 -3.245 1 1 93 . 5 1 1 A 30 30 ASP CB C 45 40.093 39.137 0.956 1 1 94 . 5 1 1 A 30 30 ASP N N 45 119.105 128.821 -9.716 1 1 95 . 5 1 1 A 31 31 GLY H H 46 9.224 9.124 0.100 1 1 96 . 5 1 1 A 31 31 GLY CA C 46 47.426 60.093 -12.667 1 1 97 . 5 1 1 A 31 31 GLY N N 46 111.508 128.641 -17.133 1 1 98 . 5 1 1 A 32 32 LYS H H 47 8.691 8.772 -0.081 1 1 99 . 5 1 1 A 32 32 LYS CA C 47 60.968 54.395 6.573 1 1 100 . 5 1 1 A 32 32 LYS CB C 47 32.534 32.131 0.403 1 1 101 . 5 1 1 A 32 32 LYS N N 47 121.519 124.120 -2.601 1 1 102 . 5 1 1 A 33 33 LYS H H 48 7.234 8.288 -1.054 1 1 103 . 5 1 1 A 33 33 LYS CA C 48 59.734 54.415 5.319 1 1 104 . 5 1 1 A 33 33 LYS CB C 48 32.349 35.411 -3.062 1 1 105 . 5 1 1 A 33 33 LYS N N 48 119.937 123.566 -3.629 1 1 106 . 5 1 1 A 34 34 GLU H H 49 8.179 8.618 -0.439 1 1 107 . 5 1 1 A 34 34 GLU CA C 49 58.911 58.742 0.169 1 1 108 . 5 1 1 A 34 34 GLU CB C 49 29.393 62.716 -33.323 1 1 109 . 5 1 1 A 34 34 GLU N N 49 121.748 116.318 5.430 1 1 110 . 5 1 1 A 35 35 ALA H H 50 9.142 8.650 0.492 1 1 111 . 5 1 1 A 35 35 ALA CA C 50 56.068 60.681 -4.613 1 1 112 . 5 1 1 A 35 35 ALA CB C 50 19.504 28.704 -9.200 1 1 113 . 5 1 1 A 35 35 ALA N N 50 125.093 121.774 3.319 1 1 114 . 5 1 1 A 36 36 ALA H H 51 7.548 7.193 0.355 1 1 115 . 5 1 1 A 36 36 ALA CA C 51 54.765 59.641 -4.876 1 1 116 . 5 1 1 A 36 36 ALA CB C 51 18.095 26.580 -8.485 1 1 117 . 5 1 1 A 36 36 ALA N N 51 118.057 118.389 -0.332 1 1 118 . 5 1 1 A 37 37 ALA H H 52 7.517 9.001 -1.484 1 1 119 . 5 1 1 A 37 37 ALA CA C 52 54.200 46.206 7.994 1 1 121 . 5 1 1 A 37 37 ALA N N 52 118.541 114.236 4.305 1 1 122 . 5 1 1 A 38 38 SER H H 53 8.330 8.272 0.058 1 1 123 . 5 1 1 A 38 38 SER CA C 53 59.095 54.260 4.835 1 1 124 . 5 1 1 A 38 38 SER CB C 53 65.540 18.406 47.134 1 1 125 . 5 1 1 A 38 38 SER N N 53 110.905 124.424 -13.519 1 1 126 . 5 1 1 A 39 39 GLY H H 54 8.454 7.430 1.024 1 1 127 . 5 1 1 A 39 39 GLY CA C 54 46.559 59.914 -13.355 1 1 128 . 5 1 1 A 39 39 GLY N N 54 112.427 115.939 -3.512 1 1 129 . 5 1 1 A 40 40 LEU H H 55 7.580 8.008 -0.428 1 1 130 . 5 1 1 A 40 40 LEU CA C 55 51.891 59.294 -7.403 1 1 131 . 5 1 1 A 40 40 LEU CB C 55 43.061 32.330 10.731 1 1 132 . 5 1 1 A 40 40 LEU N N 55 121.312 121.735 -0.423 1 1 133 . 5 1 1 A 41 41 PRO CA C 56 61.426 54.026 7.400 1 1 134 . 5 1 1 A 41 41 PRO CB C 56 32.878 18.467 14.411 1 1 135 . 5 1 1 A 42 42 LEU H H 57 8.447 8.083 0.364 1 1 136 . 5 1 1 A 42 42 LEU CA C 57 55.025 57.539 -2.514 1 1 137 . 5 1 1 A 42 42 LEU CB C 57 44.360 40.748 3.612 1 1 138 . 5 1 1 A 42 42 LEU N N 57 116.186 118.867 -2.681 1 1 139 . 5 1 1 A 43 43 MET H H 58 8.610 7.770 0.840 1 1 140 . 5 1 1 A 43 43 MET CA C 58 54.951 61.520 -6.569 1 1 141 . 5 1 1 A 43 43 MET CB C 58 34.319 30.995 3.324 1 1 142 . 5 1 1 A 43 43 MET N N 58 124.827 120.947 3.880 1 1 144 . 5 1 1 A 44 44 VAL CA C 59 60.237 65.281 -5.044 1 1 145 . 5 1 1 A 44 44 VAL CB C 59 34.052 31.008 3.044 1 1 146 . 5 1 1 A 44 44 VAL N N 59 125.176 133.466 -8.290 1 1 147 . 5 1 1 A 45 45 ILE H H 60 8.512 8.442 0.070 1 1 148 . 5 1 1 A 45 45 ILE CA C 60 60.138 59.046 1.092 1 1 149 . 5 1 1 A 45 45 ILE CB C 60 40.622 32.520 8.102 1 1 150 . 5 1 1 A 45 45 ILE N N 60 125.614 116.268 9.346 1 1 151 . 5 1 1 A 46 46 ILE H H 61 9.528 8.802 0.726 1 1 152 . 5 1 1 A 46 46 ILE CA C 61 61.356 61.401 -0.045 1 1 153 . 5 1 1 A 46 46 ILE CB C 61 39.017 39.684 -0.667 1 1 154 . 5 1 1 A 46 46 ILE N N 61 130.237 121.028 9.209 1 1 155 . 5 1 1 A 47 47 HIS H H 62 8.926 8.394 0.532 1 1 156 . 5 1 1 A 47 47 HIS CA C 62 54.153 55.062 -0.909 1 1 157 . 5 1 1 A 47 47 HIS CB C 62 35.638 18.382 17.256 1 1 158 . 5 1 1 A 47 47 HIS N N 62 121.634 121.007 0.627 1 1 159 . 5 1 1 A 48 48 LYS H H 63 7.798 8.725 -0.927 1 1 160 . 5 1 1 A 48 48 LYS CA C 63 52.412 58.615 -6.203 1 1 161 . 5 1 1 A 48 48 LYS CB C 63 33.666 29.650 4.016 1 1 162 . 5 1 1 A 48 48 LYS N N 63 116.188 119.475 -3.287 1 1 163 . 5 1 1 A 49 49 SER H H 64 10.807 8.965 1.842 1 1 164 . 5 1 1 A 49 49 SER CA C 64 60.779 60.324 0.455 1 1 165 . 5 1 1 A 49 49 SER CB C 64 62.612 62.131 0.481 1 1 166 . 5 1 1 A 49 49 SER N N 64 121.963 115.690 6.273 1 1 167 . 5 1 1 A 50 50 TRP H H 65 6.564 7.922 -1.358 1 1 169 . 5 1 1 A 50 50 TRP CA C 65 54.246 65.900 -11.654 1 1 170 . 5 1 1 A 50 50 TRP CB C 65 29.500 68.306 -38.806 1 1 171 . 5 1 1 A 50 50 TRP N N 65 115.717 114.246 1.471 1 1 173 . 5 1 1 A 51 51 CYS H H 66 6.689 8.050 -1.361 1 1 174 . 5 1 1 A 51 51 CYS CA C 66 60.195 59.172 1.023 1 1 175 . 5 1 1 A 51 51 CYS CB C 66 30.909 29.239 1.670 1 1 176 . 5 1 1 A 51 51 CYS N N 66 125.894 120.337 5.557 1 1 177 . 5 1 1 A 52 52 GLY H H 67 9.301 8.054 1.247 1 1 178 . 5 1 1 A 52 52 GLY CA C 67 47.510 63.319 -15.809 1 1 179 . 5 1 1 A 52 52 GLY N N 67 119.542 121.740 -2.198 1 1 180 . 5 1 1 A 53 53 ALA H H 68 9.861 8.243 1.618 1 1 181 . 5 1 1 A 53 53 ALA CA C 68 55.404 61.304 -5.900 1 1 182 . 5 1 1 A 53 53 ALA CB C 68 18.521 63.225 -44.704 1 1 183 . 5 1 1 A 53 53 ALA N N 68 133.080 117.567 15.513 1 1 184 . 5 1 1 A 54 54 CYS H H 69 9.891 7.463 2.428 1 1 185 . 5 1 1 A 54 54 CYS CA C 69 64.497 58.027 6.470 1 1 186 . 5 1 1 A 54 54 CYS CB C 69 29.057 30.444 -1.387 1 1 187 . 5 1 1 A 54 54 CYS N N 69 127.404 121.029 6.375 1 1 188 . 5 1 1 A 55 55 LYS H H 70 8.059 8.206 -0.147 1 1 189 . 5 1 1 A 55 55 LYS CA C 70 59.840 57.640 2.200 1 1 190 . 5 1 1 A 55 55 LYS CB C 70 32.942 41.663 -8.721 1 1 191 . 5 1 1 A 55 55 LYS N N 70 118.141 121.728 -3.587 1 1 192 . 5 1 1 A 56 56 ALA H H 71 7.517 8.131 -0.614 1 1 193 . 5 1 1 A 56 56 ALA CA C 71 53.989 61.899 -7.910 1 1 194 . 5 1 1 A 56 56 ALA CB C 71 18.501 62.900 -44.399 1 1 195 . 5 1 1 A 56 56 ALA N N 71 118.540 114.263 4.277 1 1 196 . 5 1 1 A 57 57 LEU H H 72 7.351 8.023 -0.672 1 1 197 . 5 1 1 A 57 57 LEU CA C 72 56.998 58.603 -1.605 1 1 198 . 5 1 1 A 57 57 LEU CB C 72 42.256 28.459 13.797 1 1 199 . 5 1 1 A 57 57 LEU N N 72 117.293 118.291 -0.998 1 1 200 . 5 1 1 A 58 58 LYS H H 73 7.101 8.192 -1.091 1 1 201 . 5 1 1 A 58 58 LYS CA C 73 62.302 55.517 6.785 1 1 202 . 5 1 1 A 58 58 LYS CB C 73 30.098 37.848 -7.750 1 1 203 . 5 1 1 A 58 58 LYS N N 73 115.956 117.242 -1.286 1 1 204 . 5 1 1 A 59 59 PRO CA C 74 65.581 56.314 9.267 1 1 205 . 5 1 1 A 59 59 PRO CB C 74 30.726 44.033 -13.307 1 1 206 . 5 1 1 A 60 60 LYS H H 75 6.694 8.974 -2.280 1 1 207 . 5 1 1 A 60 60 LYS CA C 75 58.353 60.308 -1.955 1 1 208 . 5 1 1 A 60 60 LYS CB C 75 32.606 35.810 -3.204 1 1 209 . 5 1 1 A 60 60 LYS N N 75 115.897 119.188 -3.291 1 1 210 . 5 1 1 A 61 61 PHE H H 76 8.285 8.614 -0.329 1 1 211 . 5 1 1 A 61 61 PHE CA C 76 60.241 55.943 4.298 1 1 212 . 5 1 1 A 61 61 PHE CB C 76 41.785 32.511 9.274 1 1 213 . 5 1 1 A 61 61 PHE N N 76 120.489 126.409 -5.920 1 1 214 . 5 1 1 A 62 62 ALA H H 77 9.036 8.069 0.967 1 1 215 . 5 1 1 A 62 62 ALA CA C 77 55.215 61.357 -6.142 1 1 216 . 5 1 1 A 62 62 ALA CB C 77 19.141 32.352 -13.211 1 1 217 . 5 1 1 A 62 62 ALA N N 77 119.890 124.947 -5.057 1 1 218 . 5 1 1 A 63 63 GLU H H 78 7.541 8.879 -1.338 1 1 219 . 5 1 1 A 63 63 GLU CA C 78 55.965 52.594 3.371 1 1 220 . 5 1 1 A 63 63 GLU CB C 78 29.630 39.364 -9.734 1 1 221 . 5 1 1 A 63 63 GLU N N 78 111.511 125.199 -13.688 1 1 222 . 5 1 1 A 64 64 SER H H 79 6.861 9.205 -2.344 1 1 223 . 5 1 1 A 64 64 SER CA C 79 57.323 53.301 4.022 1 1 224 . 5 1 1 A 64 64 SER CB C 79 63.306 45.571 17.735 1 1 225 . 5 1 1 A 64 64 SER N N 79 111.856 127.629 -15.773 1 1 226 . 5 1 1 A 65 65 THR H H 80 9.169 8.702 0.467 1 1 227 . 5 1 1 A 65 65 THR CA C 80 65.335 55.546 9.789 1 1 228 . 5 1 1 A 65 65 THR CB C 80 68.216 32.993 35.223 1 1 229 . 5 1 1 A 65 65 THR N N 80 129.658 121.160 8.498 1 1 230 . 5 1 1 A 66 66 GLU H H 81 8.354 9.071 -0.717 1 1 231 . 5 1 1 A 66 66 GLU CA C 81 60.236 57.126 3.110 1 1 232 . 5 1 1 A 66 66 GLU CB C 81 30.136 40.048 -9.912 1 1 233 . 5 1 1 A 66 66 GLU N N 81 123.573 121.393 2.180 1 1 234 . 5 1 1 A 67 67 ILE H H 82 7.922 8.218 -0.296 1 1 235 . 5 1 1 A 67 67 ILE CA C 82 66.084 58.906 7.178 1 1 236 . 5 1 1 A 67 67 ILE CB C 82 37.806 29.522 8.284 1 1 237 . 5 1 1 A 67 67 ILE N N 82 119.503 118.651 0.852 1 1 238 . 5 1 1 A 68 68 SER H H 83 7.214 7.501 -0.287 1 1 239 . 5 1 1 A 68 68 SER CA C 83 63.512 55.701 7.811 1 1 240 . 5 1 1 A 68 68 SER CB C 83 62.330 31.121 31.209 1 1 241 . 5 1 1 A 68 68 SER N N 83 112.464 122.142 -9.678 1 1 242 . 5 1 1 A 69 69 GLU H H 84 8.224 8.904 -0.680 1 1 243 . 5 1 1 A 69 69 GLU CA C 84 59.597 61.361 -1.764 1 1 244 . 5 1 1 A 69 69 GLU CB C 84 29.640 28.280 1.360 1 1 245 . 5 1 1 A 69 69 GLU N N 84 120.267 123.198 -2.931 1 1 247 . 5 1 1 A 70 70 LEU CA C 85 57.423 63.149 -5.726 1 1 248 . 5 1 1 A 70 70 LEU CB C 85 42.942 32.816 10.126 1 1 249 . 5 1 1 A 70 70 LEU N N 85 119.797 134.194 -14.397 1 1 250 . 5 1 1 A 71 71 SER H H 86 8.580 8.649 -0.069 1 1 251 . 5 1 1 A 71 71 SER CA C 86 62.310 55.842 6.468 1 1 252 . 5 1 1 A 71 71 SER CB C 86 62.306 33.432 28.874 1 1 253 . 5 1 1 A 71 71 SER N N 86 114.965 120.821 -5.856 1 1 254 . 5 1 1 A 72 72 HIS H H 87 7.189 7.439 -0.250 1 1 255 . 5 1 1 A 72 72 HIS CA C 87 57.593 52.183 5.410 1 1 256 . 5 1 1 A 72 72 HIS CB C 87 28.816 44.224 -15.408 1 1 257 . 5 1 1 A 72 72 HIS N N 87 119.159 120.751 -1.592 1 1 258 . 5 1 1 A 73 73 ASN H H 88 8.148 8.760 -0.612 1 1 261 . 5 1 1 A 73 73 ASN CA C 88 52.994 58.705 -5.711 1 1 262 . 5 1 1 A 73 73 ASN CB C 88 38.894 29.159 9.735 1 1 263 . 5 1 1 A 73 73 ASN N N 88 116.602 123.113 -6.511 1 1 265 . 5 1 1 A 74 74 PHE H H 89 7.623 7.995 -0.372 1 1 266 . 5 1 1 A 74 74 PHE CA C 89 56.882 56.363 0.519 1 1 267 . 5 1 1 A 74 74 PHE CB C 89 44.873 41.163 3.710 1 1 268 . 5 1 1 A 74 74 PHE N N 89 114.645 119.377 -4.732 1 1 269 . 5 1 1 A 75 75 VAL H H 90 8.952 6.988 1.964 1 1 270 . 5 1 1 A 75 75 VAL CA C 90 63.301 57.758 5.543 1 1 271 . 5 1 1 A 75 75 VAL CB C 90 31.213 39.059 -7.846 1 1 272 . 5 1 1 A 75 75 VAL N N 90 120.004 115.886 4.118 1 1 273 . 5 1 1 A 76 76 MET H H 91 7.486 8.479 -0.993 1 1 274 . 5 1 1 A 76 76 MET CA C 91 53.528 55.516 -1.988 1 1 275 . 5 1 1 A 76 76 MET CB C 91 30.717 62.823 -32.106 1 1 276 . 5 1 1 A 76 76 MET N N 91 129.189 116.253 12.936 1 1 278 . 5 1 1 A 77 77 VAL CA C 92 60.953 62.185 -1.232 1 1 279 . 5 1 1 A 77 77 VAL CB C 92 37.090 29.216 7.874 1 1 280 . 5 1 1 A 77 77 VAL N N 92 122.955 135.822 -12.867 1 1 281 . 5 1 1 A 78 78 ASN H H 93 10.248 8.170 2.078 1 1 283 . 5 1 1 A 78 78 ASN CA C 93 52.125 55.639 -3.514 1 1 284 . 5 1 1 A 78 78 ASN CB C 93 41.857 42.881 -1.024 1 1 285 . 5 1 1 A 78 78 ASN N N 93 126.507 122.949 3.558 1 1 287 . 5 1 1 A 79 79 LEU H H 94 9.104 8.371 0.733 1 1 288 . 5 1 1 A 79 79 LEU CA C 94 52.410 44.547 7.863 1 1 290 . 5 1 1 A 79 79 LEU N N 94 123.073 107.882 15.191 1 1 291 . 5 1 1 A 80 80 GLU H H 95 9.161 8.189 0.972 1 1 292 . 5 1 1 A 80 80 GLU CA C 95 53.391 45.036 8.355 1 1 294 . 5 1 1 A 80 80 GLU N N 95 125.765 111.382 14.383 1 1 295 . 5 1 1 A 81 81 ASP H H 96 8.107 7.785 0.322 1 1 296 . 5 1 1 A 81 81 ASP CA C 96 57.563 58.043 -0.480 1 1 297 . 5 1 1 A 81 81 ASP CB C 96 38.605 39.674 -1.069 1 1 298 . 5 1 1 A 81 81 ASP N N 96 126.380 118.608 7.772 1 1 299 . 5 1 1 A 82 82 GLU H H 97 8.836 8.673 0.163 1 1 300 . 5 1 1 A 82 82 GLU CA C 97 58.555 57.371 1.184 1 1 301 . 5 1 1 A 82 82 GLU CB C 97 28.422 40.761 -12.339 1 1 302 . 5 1 1 A 82 82 GLU N N 97 123.966 116.154 7.812 1 1 304 . 5 1 1 A 83 83 GLU CA C 98 56.619 62.382 -5.763 1 1 305 . 5 1 1 A 83 83 GLU CB C 98 30.722 32.668 -1.946 1 1 306 . 5 1 1 A 83 83 GLU N N 98 118.069 142.849 -24.780 1 1 307 . 5 1 1 A 84 84 GLU H H 99 7.298 8.256 -0.958 1 1 308 . 5 1 1 A 84 84 GLU CA C 99 54.482 54.421 0.061 1 1 309 . 5 1 1 A 84 84 GLU CB C 99 29.535 34.187 -4.652 1 1 310 . 5 1 1 A 84 84 GLU N N 99 119.571 121.398 -1.827 1 1 311 . 5 1 1 A 85 85 PRO CA C 100 62.512 60.750 1.762 1 1 312 . 5 1 1 A 85 85 PRO CB C 100 32.805 39.340 -6.535 1 1 313 . 5 1 1 A 86 86 LYS H H 101 8.640 8.828 -0.188 1 1 314 . 5 1 1 A 86 86 LYS CA C 101 55.615 53.894 1.721 1 1 315 . 5 1 1 A 86 86 LYS CB C 101 31.117 45.540 -14.423 1 1 316 . 5 1 1 A 86 86 LYS N N 101 122.999 123.378 -0.379 1 1 317 . 5 1 1 A 87 87 ASP H H 102 7.395 8.749 -1.354 1 1 318 . 5 1 1 A 87 87 ASP CA C 102 54.233 56.633 -2.400 1 1 319 . 5 1 1 A 87 87 ASP CB C 102 42.084 41.504 0.580 1 1 320 . 5 1 1 A 87 87 ASP N N 102 119.006 118.935 0.071 1 1 321 . 5 1 1 A 88 88 GLU H H 103 9.217 8.478 0.739 1 1 322 . 5 1 1 A 88 88 GLU CA C 103 58.996 53.313 5.683 1 1 323 . 5 1 1 A 88 88 GLU CB C 103 29.226 45.681 -16.455 1 1 324 . 5 1 1 A 88 88 GLU N N 103 127.412 119.175 8.237 1 1 325 . 5 1 1 A 89 89 ASP H H 104 9.043 8.128 0.915 1 1 326 . 5 1 1 A 89 89 ASP CA C 104 56.138 52.800 3.338 1 1 327 . 5 1 1 A 89 89 ASP CB C 104 39.487 40.531 -1.044 1 1 328 . 5 1 1 A 89 89 ASP N N 104 121.056 119.959 1.097 1 1 330 . 5 1 1 A 90 90 PHE CA C 105 58.124 63.079 -4.955 1 1 331 . 5 1 1 A 90 90 PHE CB C 105 38.909 31.081 7.828 1 1 332 . 5 1 1 A 90 90 PHE N N 105 111.473 138.597 -27.124 1 1 333 . 5 1 1 A 91 91 SER H H 106 7.907 8.654 -0.747 1 1 334 . 5 1 1 A 91 91 SER CA C 106 55.565 58.021 -2.456 1 1 335 . 5 1 1 A 91 91 SER CB C 106 63.139 65.299 -2.160 1 1 336 . 5 1 1 A 91 91 SER N N 106 115.544 113.770 1.774 1 1 337 . 5 1 1 A 92 92 PRO CA C 107 65.329 45.450 19.879 1 1 339 . 5 1 1 A 93 93 ASP H H 108 9.095 7.416 1.679 1 1 340 . 5 1 1 A 93 93 ASP CA C 108 52.726 54.983 -2.257 1 1 341 . 5 1 1 A 93 93 ASP CB C 108 40.551 33.268 7.283 1 1 342 . 5 1 1 A 93 93 ASP N N 108 115.482 120.080 -4.598 1 1 343 . 5 1 1 A 94 94 GLY H H 109 6.947 8.267 -1.320 1 1 344 . 5 1 1 A 94 94 GLY CA C 109 44.385 62.871 -18.486 1 1 345 . 5 1 1 A 94 94 GLY N N 109 106.691 125.384 -18.693 1 1 346 . 5 1 1 A 95 95 GLY H H 110 8.423 8.380 0.043 1 1 347 . 5 1 1 A 95 95 GLY CA C 110 45.873 53.769 -7.896 1 1 348 . 5 1 1 A 95 95 GLY N N 110 107.178 127.274 -20.096 1 1 350 . 5 1 1 A 96 96 TYR CA C 111 55.619 63.504 -7.885 1 1 351 . 5 1 1 A 96 96 TYR CB C 111 38.312 30.601 7.711 1 1 352 . 5 1 1 A 96 96 TYR N N 111 116.246 139.713 -23.467 1 1 353 . 5 1 1 A 97 97 ILE H H 112 7.878 9.131 -1.253 1 1 354 . 5 1 1 A 97 97 ILE CA C 112 58.650 57.974 0.676 1 1 355 . 5 1 1 A 97 97 ILE N N 112 113.713 119.981 -6.268 1 1 356 . 5 1 1 A 98 98 PRO CA C 113 62.337 60.945 1.392 1 1 357 . 5 1 1 A 98 98 PRO CB C 113 34.315 36.298 -1.983 1 1 358 . 5 1 1 A 99 99 ARG H H 114 8.514 8.010 0.504 1 1 359 . 5 1 1 A 99 99 ARG CA C 114 54.460 59.299 -4.839 1 1 360 . 5 1 1 A 99 99 ARG CB C 114 34.399 39.152 -4.753 1 1 361 . 5 1 1 A 99 99 ARG N N 114 117.550 122.886 -5.336 1 1 362 . 5 1 1 A 100 100 ILE H H 115 8.819 8.533 0.286 1 1 363 . 5 1 1 A 100 100 ILE CA C 115 60.937 51.557 9.380 1 1 364 . 5 1 1 A 100 100 ILE CB C 115 39.021 36.769 2.252 1 1 365 . 5 1 1 A 100 100 ILE N N 115 122.056 120.405 1.651 1 1 366 . 5 1 1 A 101 101 LEU H H 116 8.692 7.888 0.804 1 1 367 . 5 1 1 A 101 101 LEU CA C 116 52.377 59.181 -6.804 1 1 368 . 5 1 1 A 101 101 LEU CB C 116 46.493 29.393 17.100 1 1 369 . 5 1 1 A 101 101 LEU N N 116 127.243 124.957 2.286 1 1 370 . 5 1 1 A 102 102 PHE H H 117 9.004 7.912 1.092 1 1 371 . 5 1 1 A 102 102 PHE CA C 117 57.076 53.628 3.448 1 1 372 . 5 1 1 A 102 102 PHE CB C 117 42.048 38.810 3.238 1 1 373 . 5 1 1 A 102 102 PHE N N 117 116.784 116.217 0.567 1 1 374 . 5 1 1 A 103 103 LEU H H 118 9.303 8.609 0.694 1 1 375 . 5 1 1 A 103 103 LEU CA C 118 53.487 44.068 9.419 1 1 377 . 5 1 1 A 103 103 LEU N N 118 124.741 107.740 17.001 1 1 378 . 5 1 1 A 104 104 ASP H H 119 8.351 8.414 -0.063 1 1 379 . 5 1 1 A 104 104 ASP CA C 119 52.555 51.730 0.825 1 1 380 . 5 1 1 A 104 104 ASP CB C 119 39.406 37.978 1.428 1 1 381 . 5 1 1 A 104 104 ASP N N 119 117.539 116.726 0.813 1 1 382 . 5 1 1 A 105 105 PRO CA C 120 65.106 62.729 2.377 1 1 383 . 5 1 1 A 105 105 PRO CB C 120 31.459 29.468 1.991 1 1 384 . 5 1 1 A 106 106 SER H H 121 8.229 8.272 -0.043 1 1 385 . 5 1 1 A 106 106 SER CA C 121 58.891 57.270 1.621 1 1 386 . 5 1 1 A 106 106 SER CB C 121 64.061 63.974 0.087 1 1 387 . 5 1 1 A 106 106 SER N N 121 111.546 115.765 -4.219 1 1 388 . 5 1 1 A 107 107 GLY H H 122 8.970 7.911 1.059 1 1 389 . 5 1 1 A 107 107 GLY CA C 122 45.417 58.972 -13.555 1 1 390 . 5 1 1 A 107 107 GLY N N 122 111.616 120.547 -8.931 1 1 391 . 5 1 1 A 108 108 LYS H H 123 7.405 7.746 -0.341 1 1 392 . 5 1 1 A 108 108 LYS CA C 123 54.729 58.493 -3.764 1 1 393 . 5 1 1 A 108 108 LYS CB C 123 32.929 31.026 1.903 1 1 394 . 5 1 1 A 108 108 LYS N N 123 120.930 117.196 3.734 1 1 395 . 5 1 1 A 109 109 VAL H H 124 8.875 8.341 0.534 1 1 396 . 5 1 1 A 109 109 VAL CA C 124 64.103 60.458 3.645 1 1 397 . 5 1 1 A 109 109 VAL CB C 124 32.249 37.963 -5.714 1 1 398 . 5 1 1 A 109 109 VAL N N 124 126.925 119.659 7.266 1 1 399 . 5 1 1 A 110 110 HIS H H 125 8.911 7.896 1.015 1 1 400 . 5 1 1 A 110 110 HIS CA C 125 54.469 57.273 -2.804 1 1 401 . 5 1 1 A 110 110 HIS CB C 125 28.893 39.514 -10.621 1 1 402 . 5 1 1 A 110 110 HIS N N 125 127.112 121.403 5.709 1 1 403 . 5 1 1 A 111 111 PRO CA C 126 63.311 57.025 6.286 1 1 404 . 5 1 1 A 111 111 PRO CB C 126 32.232 40.953 -8.721 1 1 405 . 5 1 1 A 112 112 GLU H H 127 10.959 8.372 2.587 1 1 406 . 5 1 1 A 112 112 GLU CA C 127 57.439 61.281 -3.842 1 1 407 . 5 1 1 A 112 112 GLU CB C 127 27.174 33.707 -6.533 1 1 408 . 5 1 1 A 112 112 GLU N N 127 123.144 117.224 5.920 1 1 409 . 5 1 1 A 113 113 ILE H H 128 7.493 8.809 -1.316 1 1 410 . 5 1 1 A 113 113 ILE CA C 128 61.518 58.377 3.141 1 1 411 . 5 1 1 A 113 113 ILE CB C 128 35.365 63.509 -28.144 1 1 412 . 5 1 1 A 113 113 ILE N N 128 123.479 119.259 4.220 1 1 413 . 5 1 1 A 114 114 ILE H H 129 8.300 8.775 -0.475 1 1 414 . 5 1 1 A 114 114 ILE CA C 129 59.109 55.011 4.098 1 1 415 . 5 1 1 A 114 114 ILE CB C 129 42.309 18.498 23.811 1 1 416 . 5 1 1 A 114 114 ILE N N 129 123.439 128.986 -5.547 1 1 417 . 5 1 1 A 115 115 ASN H H 130 8.622 8.302 0.320 1 1 420 . 5 1 1 A 115 115 ASN CA C 130 51.381 60.088 -8.707 1 1 421 . 5 1 1 A 115 115 ASN CB C 130 35.215 29.204 6.011 1 1 422 . 5 1 1 A 115 115 ASN N N 130 114.712 118.989 -4.277 1 1 424 . 5 1 1 A 116 116 GLU H H 131 8.463 8.239 0.224 1 1 425 . 5 1 1 A 116 116 GLU CA C 131 58.882 58.502 0.380 1 1 426 . 5 1 1 A 116 116 GLU CB C 131 29.606 28.401 1.205 1 1 427 . 5 1 1 A 116 116 GLU N N 131 127.900 118.684 9.216 1 1 428 . 5 1 1 A 117 117 ASN H H 132 7.545 7.427 0.118 1 1 431 . 5 1 1 A 117 117 ASN CA C 132 52.960 65.427 -12.467 1 1 432 . 5 1 1 A 117 117 ASN CB C 132 39.777 31.544 8.233 1 1 433 . 5 1 1 A 117 117 ASN N N 132 113.958 116.492 -2.534 1 1 435 . 5 1 1 A 118 118 GLY H H 133 7.109 7.651 -0.542 1 1 436 . 5 1 1 A 118 118 GLY CA C 133 44.662 64.924 -20.262 1 1 437 . 5 1 1 A 118 118 GLY N N 133 107.288 122.260 -14.972 1 1 438 . 5 1 1 A 119 119 ASN H H 134 8.795 8.314 0.481 1 1 441 . 5 1 1 A 119 119 ASN CA C 134 50.277 58.252 -7.975 1 1 442 . 5 1 1 A 119 119 ASN CB C 134 40.102 28.017 12.085 1 1 443 . 5 1 1 A 119 119 ASN N N 134 122.889 119.745 3.144 1 1 445 . 5 1 1 A 120 120 PRO CA C 135 64.320 46.497 17.823 1 1 447 . 5 1 1 A 121 121 SER H H 136 8.260 7.645 0.615 1 1 448 . 5 1 1 A 121 121 SER CA C 136 60.199 57.106 3.093 1 1 449 . 5 1 1 A 121 121 SER CB C 136 63.228 32.824 30.404 1 1 450 . 5 1 1 A 121 121 SER N N 136 113.554 119.434 -5.880 1 1 451 . 5 1 1 A 122 122 TYR H H 137 7.580 8.101 -0.521 1 1 452 . 5 1 1 A 122 122 TYR CA C 137 54.584 58.602 -4.018 1 1 453 . 5 1 1 A 122 122 TYR CB C 137 38.872 32.196 6.676 1 1 454 . 5 1 1 A 122 122 TYR N N 137 119.864 119.472 0.392 1 1 455 . 5 1 1 A 123 123 LYS H H 138 9.556 8.057 1.499 1 1 456 . 5 1 1 A 123 123 LYS CA C 138 60.415 58.367 2.048 1 1 457 . 5 1 1 A 123 123 LYS CB C 138 31.945 30.512 1.433 1 1 458 . 5 1 1 A 123 123 LYS N N 138 123.955 117.958 5.997 1 1 459 . 5 1 1 A 124 124 TYR H H 139 8.486 7.840 0.646 1 1 460 . 5 1 1 A 124 124 TYR CA C 139 56.009 54.945 1.064 1 1 461 . 5 1 1 A 124 124 TYR CB C 139 37.666 18.668 18.998 1 1 462 . 5 1 1 A 124 124 TYR N N 139 113.738 122.547 -8.809 1 1 463 . 5 1 1 A 125 125 PHE H H 140 7.562 8.076 -0.514 1 1 464 . 5 1 1 A 125 125 PHE CA C 140 56.561 57.380 -0.819 1 1 465 . 5 1 1 A 125 125 PHE CB C 140 40.897 27.318 13.579 1 1 466 . 5 1 1 A 125 125 PHE N N 140 122.592 115.402 7.190 1 1 467 . 5 1 1 A 126 126 TYR H H 141 8.133 8.985 -0.852 1 1 468 . 5 1 1 A 126 126 TYR CA C 141 57.326 58.472 -1.146 1 1 469 . 5 1 1 A 126 126 TYR CB C 141 41.768 30.134 11.634 1 1 470 . 5 1 1 A 126 126 TYR N N 141 129.225 120.176 9.049 1 1 471 . 5 1 1 A 127 127 VAL H H 142 8.081 7.505 0.576 1 1 472 . 5 1 1 A 127 127 VAL CA C 142 61.414 56.995 4.419 1 1 473 . 5 1 1 A 127 127 VAL CB C 142 34.245 32.009 2.236 1 1 474 . 5 1 1 A 127 127 VAL N N 142 112.892 115.686 -2.794 1 1 475 . 5 1 1 A 128 128 SER H H 143 7.362 8.269 -0.907 1 1 476 . 5 1 1 A 128 128 SER CA C 143 55.028 56.770 -1.742 1 1 477 . 5 1 1 A 128 128 SER CB C 143 67.261 41.708 25.553 1 1 478 . 5 1 1 A 128 128 SER N N 143 112.848 122.412 -9.564 1 1 479 . 5 1 1 A 129 129 ALA H H 144 9.331 8.037 1.294 1 1 480 . 5 1 1 A 129 129 ALA CA C 144 55.568 64.997 -9.429 1 1 481 . 5 1 1 A 129 129 ALA CB C 144 18.005 68.567 -50.562 1 1 482 . 5 1 1 A 129 129 ALA N N 144 124.250 112.509 11.741 1 1 483 . 5 1 1 A 130 130 GLU H H 145 9.152 7.539 1.613 1 1 484 . 5 1 1 A 130 130 GLU CA C 145 60.626 44.752 15.874 1 1 486 . 5 1 1 A 130 130 GLU N N 145 116.980 110.254 6.726 1 1 487 . 5 1 1 A 131 131 GLN H H 146 7.621 8.399 -0.778 1 1 490 . 5 1 1 A 131 131 GLN CA C 146 58.552 53.696 4.856 1 1 491 . 5 1 1 A 131 131 GLN CB C 146 29.038 41.182 -12.144 1 1 492 . 5 1 1 A 131 131 GLN N N 146 117.565 119.765 -2.200 1 1 494 . 5 1 1 A 132 132 VAL H H 147 7.780 7.901 -0.121 1 1 495 . 5 1 1 A 132 132 VAL CA C 147 66.928 53.951 12.977 1 1 496 . 5 1 1 A 132 132 VAL CB C 147 31.324 19.070 12.254 1 1 497 . 5 1 1 A 132 132 VAL N N 147 121.486 122.499 -1.013 1 1 498 . 5 1 1 A 133 133 VAL H H 148 8.609 8.136 0.473 1 1 499 . 5 1 1 A 133 133 VAL CA C 148 67.053 61.041 6.012 1 1 500 . 5 1 1 A 133 133 VAL CB C 148 31.927 37.653 -5.726 1 1 501 . 5 1 1 A 133 133 VAL N N 148 119.560 113.977 5.583 1 1 502 . 5 1 1 A 134 134 GLN H H 149 7.365 6.288 1.077 1 1 505 . 5 1 1 A 134 134 GLN CA C 149 59.382 55.981 3.401 1 1 506 . 5 1 1 A 134 134 GLN CB C 149 27.860 29.969 -2.109 1 1 507 . 5 1 1 A 134 134 GLN N N 149 117.080 118.114 -1.034 1 1 509 . 5 1 1 A 135 135 GLY H H 150 8.085 8.773 -0.688 1 1 510 . 5 1 1 A 135 135 GLY CA C 150 47.499 56.002 -8.503 1 1 511 . 5 1 1 A 135 135 GLY N N 150 107.849 123.813 -15.964 1 1 512 . 5 1 1 A 136 136 MET H H 151 8.593 8.925 -0.332 1 1 513 . 5 1 1 A 136 136 MET CA C 151 59.730 59.328 0.402 1 1 514 . 5 1 1 A 136 136 MET CB C 151 35.435 32.141 3.294 1 1 515 . 5 1 1 A 136 136 MET N N 151 119.390 122.755 -3.365 1 1 516 . 5 1 1 A 137 137 LYS H H 152 8.591 7.915 0.676 1 1 517 . 5 1 1 A 137 137 LYS CA C 152 60.659 55.767 4.892 1 1 518 . 5 1 1 A 137 137 LYS CB C 152 32.617 31.913 0.704 1 1 519 . 5 1 1 A 137 137 LYS N N 152 119.226 113.354 5.872 1 1 520 . 5 1 1 A 138 138 GLU H H 153 7.870 7.473 0.397 1 1 521 . 5 1 1 A 138 138 GLU CA C 153 59.134 53.538 5.596 1 1 522 . 5 1 1 A 138 138 GLU CB C 153 28.879 44.095 -15.216 1 1 523 . 5 1 1 A 138 138 GLU N N 153 120.709 118.453 2.256 1 1 524 . 5 1 1 A 139 139 ALA H H 154 8.493 8.439 0.054 1 1 525 . 5 1 1 A 139 139 ALA CA C 154 55.450 58.013 -2.563 1 1 526 . 5 1 1 A 139 139 ALA CB C 154 18.695 31.222 -12.527 1 1 527 . 5 1 1 A 139 139 ALA N N 154 120.598 123.550 -2.952 1 1 528 . 5 1 1 A 140 140 GLN H H 155 8.582 8.824 -0.242 1 1 531 . 5 1 1 A 140 140 GLN CA C 155 59.239 55.854 3.385 1 1 532 . 5 1 1 A 140 140 GLN CB C 155 28.027 40.947 -12.920 1 1 533 . 5 1 1 A 140 140 GLN N N 155 116.438 119.328 -2.890 1 1 535 . 5 1 1 A 141 141 GLU H H 156 7.563 7.853 -0.290 1 1 536 . 5 1 1 A 141 141 GLU CA C 156 58.896 58.139 0.757 1 1 537 . 5 1 1 A 141 141 GLU CB C 156 29.885 31.826 -1.941 1 1 538 . 5 1 1 A 141 141 GLU N N 156 118.759 115.124 3.635 1 1 1 . 6 1 1 A 7 7 HIS CA C 22 56.307 58.934 -2.627 1 1 2 . 6 1 1 A 7 7 HIS CB C 22 30.341 30.423 -0.082 1 1 3 . 6 1 1 A 8 8 MET H H 23 8.449 7.300 1.149 1 1 4 . 6 1 1 A 8 8 MET CA C 23 55.742 63.080 -7.338 1 1 5 . 6 1 1 A 8 8 MET CB C 23 32.842 36.397 -3.555 1 1 6 . 6 1 1 A 8 8 MET N N 23 122.176 118.619 3.557 1 1 7 . 6 1 1 A 9 9 SER H H 24 8.428 6.800 1.628 1 1 8 . 6 1 1 A 9 9 SER CA C 24 58.412 55.028 3.384 1 1 9 . 6 1 1 A 9 9 SER CB C 24 63.900 28.619 35.281 1 1 10 . 6 1 1 A 9 9 SER N N 24 116.789 123.710 -6.921 1 1 11 . 6 1 1 A 10 10 ASP H H 25 8.382 7.651 0.731 1 1 12 . 6 1 1 A 10 10 ASP CA C 25 54.487 56.626 -2.139 1 1 13 . 6 1 1 A 10 10 ASP CB C 25 41.285 31.619 9.666 1 1 14 . 6 1 1 A 10 10 ASP N N 25 122.384 118.490 3.894 1 1 15 . 6 1 1 A 11 11 GLY H H 26 8.363 8.116 0.247 1 1 16 . 6 1 1 A 11 11 GLY CA C 26 45.546 58.838 -13.292 1 1 17 . 6 1 1 A 11 11 GLY N N 26 108.671 121.463 -12.792 1 1 18 . 6 1 1 A 12 12 HIS H H 27 8.350 7.252 1.098 1 1 19 . 6 1 1 A 12 12 HIS CA C 27 56.103 61.023 -4.920 1 1 20 . 6 1 1 A 12 12 HIS CB C 27 29.813 71.151 -41.338 1 1 21 . 6 1 1 A 12 12 HIS N N 27 118.814 107.057 11.757 1 1 22 . 6 1 1 A 13 13 ASN H H 28 8.505 8.850 -0.345 1 1 25 . 6 1 1 A 13 13 ASN CA C 28 53.482 58.832 -5.350 1 1 26 . 6 1 1 A 13 13 ASN CB C 28 39.386 41.682 -2.296 1 1 27 . 6 1 1 A 13 13 ASN N N 28 119.523 124.490 -4.967 1 1 29 . 6 1 1 A 14 14 GLY H H 29 8.743 8.399 0.344 1 1 30 . 6 1 1 A 14 14 GLY CA C 29 45.534 59.864 -14.330 1 1 31 . 6 1 1 A 14 14 GLY N N 29 110.136 118.861 -8.725 1 1 32 . 6 1 1 A 15 15 LEU H H 30 8.466 8.488 -0.022 1 1 33 . 6 1 1 A 15 15 LEU CA C 30 56.146 56.897 -0.751 1 1 34 . 6 1 1 A 15 15 LEU CB C 30 42.864 40.429 2.435 1 1 35 . 6 1 1 A 15 15 LEU N N 30 120.511 118.718 1.793 1 1 36 . 6 1 1 A 16 16 GLY H H 31 8.886 8.072 0.814 1 1 37 . 6 1 1 A 16 16 GLY CA C 31 47.064 47.072 -0.008 1 1 38 . 6 1 1 A 16 16 GLY N N 31 108.073 108.849 -0.776 1 1 39 . 6 1 1 A 17 17 LYS H H 32 7.854 7.930 -0.076 1 1 40 . 6 1 1 A 17 17 LYS CA C 32 55.661 59.383 -3.722 1 1 41 . 6 1 1 A 17 17 LYS CB C 32 29.379 32.502 -3.123 1 1 42 . 6 1 1 A 17 17 LYS N N 32 110.952 121.998 -11.046 1 1 43 . 6 1 1 A 18 18 GLY H H 33 8.095 7.662 0.433 1 1 44 . 6 1 1 A 18 18 GLY CA C 33 44.893 59.856 -14.963 1 1 45 . 6 1 1 A 18 18 GLY N N 33 103.957 119.210 -15.253 1 1 46 . 6 1 1 A 19 19 PHE H H 34 7.887 8.163 -0.276 1 1 47 . 6 1 1 A 19 19 PHE CA C 34 61.146 59.397 1.749 1 1 48 . 6 1 1 A 19 19 PHE CB C 34 38.963 29.135 9.828 1 1 49 . 6 1 1 A 19 19 PHE N N 34 117.883 118.980 -1.097 1 1 50 . 6 1 1 A 20 20 GLY H H 35 7.696 8.190 -0.494 1 1 51 . 6 1 1 A 20 20 GLY CA C 35 45.189 54.837 -9.648 1 1 52 . 6 1 1 A 20 20 GLY N N 35 102.668 121.091 -18.423 1 1 53 . 6 1 1 A 21 21 ASP H H 36 9.284 7.758 1.526 1 1 54 . 6 1 1 A 21 21 ASP CA C 36 56.026 54.936 1.090 1 1 55 . 6 1 1 A 21 21 ASP CB C 36 40.543 18.517 22.026 1 1 56 . 6 1 1 A 21 21 ASP N N 36 129.289 120.020 9.269 1 1 57 . 6 1 1 A 22 22 HIS H H 37 9.058 8.184 0.874 1 1 58 . 6 1 1 A 22 22 HIS CA C 37 56.628 55.270 1.358 1 1 59 . 6 1 1 A 22 22 HIS CB C 37 29.941 18.777 11.164 1 1 60 . 6 1 1 A 22 22 HIS N N 37 116.742 120.463 -3.721 1 1 61 . 6 1 1 A 23 23 ILE H H 38 6.449 7.543 -1.094 1 1 62 . 6 1 1 A 23 23 ILE CA C 38 59.183 59.551 -0.368 1 1 63 . 6 1 1 A 23 23 ILE CB C 38 39.408 63.524 -24.116 1 1 64 . 6 1 1 A 23 23 ILE N N 38 124.704 113.904 10.800 1 1 65 . 6 1 1 A 24 24 HIS H H 39 7.857 8.311 -0.454 1 1 66 . 6 1 1 A 24 24 HIS CA C 39 52.931 46.776 6.155 1 1 68 . 6 1 1 A 24 24 HIS N N 39 124.600 109.955 14.645 1 1 69 . 6 1 1 A 25 25 TRP H H 40 8.032 7.326 0.706 1 1 71 . 6 1 1 A 25 25 TRP CA C 40 57.058 51.277 5.781 1 1 72 . 6 1 1 A 25 25 TRP CB C 40 30.411 43.536 -13.125 1 1 73 . 6 1 1 A 25 25 TRP N N 40 130.002 114.797 15.205 1 1 76 . 6 1 1 A 26 26 ARG CA C 41 54.500 62.580 -8.080 1 1 77 . 6 1 1 A 26 26 ARG CB C 41 35.055 32.384 2.671 1 1 78 . 6 1 1 A 26 26 ARG N N 41 122.005 134.706 -12.701 1 1 79 . 6 1 1 A 27 27 THR H H 42 8.562 8.042 0.520 1 1 80 . 6 1 1 A 27 27 THR CA C 42 61.294 53.408 7.886 1 1 81 . 6 1 1 A 27 27 THR CB C 42 70.325 44.599 25.726 1 1 82 . 6 1 1 A 27 27 THR N N 42 111.261 121.305 -10.044 1 1 83 . 6 1 1 A 28 28 LEU H H 43 8.994 8.633 0.361 1 1 84 . 6 1 1 A 28 28 LEU CA C 43 59.121 53.733 5.388 1 1 85 . 6 1 1 A 28 28 LEU CB C 43 41.515 33.078 8.437 1 1 86 . 6 1 1 A 28 28 LEU N N 43 121.976 122.382 -0.406 1 1 87 . 6 1 1 A 29 29 GLU H H 44 8.759 8.259 0.500 1 1 88 . 6 1 1 A 29 29 GLU CA C 44 59.928 62.004 -2.076 1 1 89 . 6 1 1 A 29 29 GLU CB C 44 29.342 29.363 -0.021 1 1 90 . 6 1 1 A 29 29 GLU N N 44 116.492 125.543 -9.051 1 1 91 . 6 1 1 A 30 30 ASP H H 45 7.692 8.059 -0.367 1 1 92 . 6 1 1 A 30 30 ASP CA C 45 57.131 61.658 -4.527 1 1 93 . 6 1 1 A 30 30 ASP CB C 45 40.093 37.699 2.394 1 1 94 . 6 1 1 A 30 30 ASP N N 45 119.105 125.456 -6.351 1 1 95 . 6 1 1 A 31 31 GLY H H 46 9.224 8.825 0.399 1 1 96 . 6 1 1 A 31 31 GLY CA C 46 47.426 59.970 -12.544 1 1 97 . 6 1 1 A 31 31 GLY N N 46 111.508 128.581 -17.073 1 1 98 . 6 1 1 A 32 32 LYS H H 47 8.691 8.596 0.095 1 1 99 . 6 1 1 A 32 32 LYS CA C 47 60.968 53.590 7.378 1 1 100 . 6 1 1 A 32 32 LYS CB C 47 32.534 31.848 0.686 1 1 101 . 6 1 1 A 32 32 LYS N N 47 121.519 121.778 -0.259 1 1 102 . 6 1 1 A 33 33 LYS H H 48 7.234 8.317 -1.083 1 1 103 . 6 1 1 A 33 33 LYS CA C 48 59.734 54.492 5.242 1 1 104 . 6 1 1 A 33 33 LYS CB C 48 32.349 35.687 -3.338 1 1 105 . 6 1 1 A 33 33 LYS N N 48 119.937 124.562 -4.625 1 1 106 . 6 1 1 A 34 34 GLU H H 49 8.179 8.625 -0.446 1 1 107 . 6 1 1 A 34 34 GLU CA C 49 58.911 60.463 -1.552 1 1 108 . 6 1 1 A 34 34 GLU CB C 49 29.393 61.848 -32.455 1 1 109 . 6 1 1 A 34 34 GLU N N 49 121.748 114.509 7.239 1 1 110 . 6 1 1 A 35 35 ALA H H 50 9.142 8.569 0.573 1 1 111 . 6 1 1 A 35 35 ALA CA C 50 56.068 60.516 -4.448 1 1 112 . 6 1 1 A 35 35 ALA CB C 50 19.504 28.483 -8.979 1 1 113 . 6 1 1 A 35 35 ALA N N 50 125.093 123.749 1.344 1 1 114 . 6 1 1 A 36 36 ALA H H 51 7.548 7.385 0.163 1 1 115 . 6 1 1 A 36 36 ALA CA C 51 54.765 59.758 -4.993 1 1 116 . 6 1 1 A 36 36 ALA CB C 51 18.095 25.329 -7.234 1 1 117 . 6 1 1 A 36 36 ALA N N 51 118.057 119.001 -0.944 1 1 118 . 6 1 1 A 37 37 ALA H H 52 7.517 8.955 -1.438 1 1 119 . 6 1 1 A 37 37 ALA CA C 52 54.200 47.204 6.996 1 1 121 . 6 1 1 A 37 37 ALA N N 52 118.541 112.432 6.109 1 1 122 . 6 1 1 A 38 38 SER H H 53 8.330 7.919 0.411 1 1 123 . 6 1 1 A 38 38 SER CA C 53 59.095 54.291 4.804 1 1 124 . 6 1 1 A 38 38 SER CB C 53 65.540 18.106 47.434 1 1 125 . 6 1 1 A 38 38 SER N N 53 110.905 124.082 -13.177 1 1 126 . 6 1 1 A 39 39 GLY H H 54 8.454 7.706 0.748 1 1 127 . 6 1 1 A 39 39 GLY CA C 54 46.559 62.247 -15.688 1 1 128 . 6 1 1 A 39 39 GLY N N 54 112.427 115.873 -3.446 1 1 129 . 6 1 1 A 40 40 LEU H H 55 7.580 7.868 -0.288 1 1 130 . 6 1 1 A 40 40 LEU CA C 55 51.891 59.180 -7.289 1 1 131 . 6 1 1 A 40 40 LEU CB C 55 43.061 32.295 10.766 1 1 132 . 6 1 1 A 40 40 LEU N N 55 121.312 120.128 1.184 1 1 133 . 6 1 1 A 41 41 PRO CA C 56 61.426 54.956 6.470 1 1 134 . 6 1 1 A 41 41 PRO CB C 56 32.878 18.295 14.583 1 1 135 . 6 1 1 A 42 42 LEU H H 57 8.447 7.482 0.965 1 1 136 . 6 1 1 A 42 42 LEU CA C 57 55.025 57.734 -2.709 1 1 137 . 6 1 1 A 42 42 LEU CB C 57 44.360 41.159 3.201 1 1 138 . 6 1 1 A 42 42 LEU N N 57 116.186 117.259 -1.073 1 1 139 . 6 1 1 A 43 43 MET H H 58 8.610 7.624 0.986 1 1 140 . 6 1 1 A 43 43 MET CA C 58 54.951 61.320 -6.369 1 1 141 . 6 1 1 A 43 43 MET CB C 58 34.319 30.770 3.549 1 1 142 . 6 1 1 A 43 43 MET N N 58 124.827 119.234 5.593 1 1 144 . 6 1 1 A 44 44 VAL CA C 59 60.237 65.094 -4.857 1 1 145 . 6 1 1 A 44 44 VAL CB C 59 34.052 31.333 2.719 1 1 146 . 6 1 1 A 44 44 VAL N N 59 125.176 132.675 -7.499 1 1 147 . 6 1 1 A 45 45 ILE H H 60 8.512 8.486 0.026 1 1 148 . 6 1 1 A 45 45 ILE CA C 60 60.138 58.872 1.266 1 1 149 . 6 1 1 A 45 45 ILE CB C 60 40.622 32.666 7.956 1 1 150 . 6 1 1 A 45 45 ILE N N 60 125.614 116.286 9.328 1 1 151 . 6 1 1 A 46 46 ILE H H 61 9.528 8.719 0.809 1 1 152 . 6 1 1 A 46 46 ILE CA C 61 61.356 61.782 -0.426 1 1 153 . 6 1 1 A 46 46 ILE CB C 61 39.017 38.965 0.052 1 1 154 . 6 1 1 A 46 46 ILE N N 61 130.237 120.815 9.422 1 1 155 . 6 1 1 A 47 47 HIS H H 62 8.926 8.382 0.544 1 1 156 . 6 1 1 A 47 47 HIS CA C 62 54.153 54.710 -0.557 1 1 157 . 6 1 1 A 47 47 HIS CB C 62 35.638 18.348 17.290 1 1 158 . 6 1 1 A 47 47 HIS N N 62 121.634 121.283 0.351 1 1 159 . 6 1 1 A 48 48 LYS H H 63 7.798 8.336 -0.538 1 1 160 . 6 1 1 A 48 48 LYS CA C 63 52.412 58.566 -6.154 1 1 161 . 6 1 1 A 48 48 LYS CB C 63 33.666 29.387 4.279 1 1 162 . 6 1 1 A 48 48 LYS N N 63 116.188 119.281 -3.093 1 1 163 . 6 1 1 A 49 49 SER H H 64 10.807 8.723 2.084 1 1 164 . 6 1 1 A 49 49 SER CA C 64 60.779 60.451 0.328 1 1 165 . 6 1 1 A 49 49 SER CB C 64 62.612 62.467 0.145 1 1 166 . 6 1 1 A 49 49 SER N N 64 121.963 115.832 6.131 1 1 167 . 6 1 1 A 50 50 TRP H H 65 6.564 7.800 -1.236 1 1 169 . 6 1 1 A 50 50 TRP CA C 65 54.246 66.634 -12.388 1 1 170 . 6 1 1 A 50 50 TRP CB C 65 29.500 68.978 -39.478 1 1 171 . 6 1 1 A 50 50 TRP N N 65 115.717 116.687 -0.970 1 1 173 . 6 1 1 A 51 51 CYS H H 66 6.689 7.930 -1.241 1 1 174 . 6 1 1 A 51 51 CYS CA C 66 60.195 59.125 1.070 1 1 175 . 6 1 1 A 51 51 CYS CB C 66 30.909 29.139 1.770 1 1 176 . 6 1 1 A 51 51 CYS N N 66 125.894 119.122 6.772 1 1 177 . 6 1 1 A 52 52 GLY H H 67 9.301 7.963 1.338 1 1 178 . 6 1 1 A 52 52 GLY CA C 67 47.510 63.776 -16.266 1 1 179 . 6 1 1 A 52 52 GLY N N 67 119.542 121.907 -2.365 1 1 180 . 6 1 1 A 53 53 ALA H H 68 9.861 8.378 1.483 1 1 181 . 6 1 1 A 53 53 ALA CA C 68 55.404 61.165 -5.761 1 1 182 . 6 1 1 A 53 53 ALA CB C 68 18.521 63.023 -44.502 1 1 183 . 6 1 1 A 53 53 ALA N N 68 133.080 117.027 16.053 1 1 184 . 6 1 1 A 54 54 CYS H H 69 9.891 7.447 2.444 1 1 185 . 6 1 1 A 54 54 CYS CA C 69 64.497 59.044 5.453 1 1 186 . 6 1 1 A 54 54 CYS CB C 69 29.057 30.192 -1.135 1 1 187 . 6 1 1 A 54 54 CYS N N 69 127.404 121.745 5.659 1 1 188 . 6 1 1 A 55 55 LYS H H 70 8.059 8.149 -0.090 1 1 189 . 6 1 1 A 55 55 LYS CA C 70 59.840 57.243 2.597 1 1 190 . 6 1 1 A 55 55 LYS CB C 70 32.942 41.271 -8.329 1 1 191 . 6 1 1 A 55 55 LYS N N 70 118.141 120.635 -2.494 1 1 192 . 6 1 1 A 56 56 ALA H H 71 7.517 7.909 -0.392 1 1 193 . 6 1 1 A 56 56 ALA CA C 71 53.989 60.480 -6.491 1 1 194 . 6 1 1 A 56 56 ALA CB C 71 18.501 62.999 -44.498 1 1 195 . 6 1 1 A 56 56 ALA N N 71 118.540 114.934 3.606 1 1 196 . 6 1 1 A 57 57 LEU H H 72 7.351 7.561 -0.210 1 1 197 . 6 1 1 A 57 57 LEU CA C 72 56.998 58.703 -1.705 1 1 198 . 6 1 1 A 57 57 LEU CB C 72 42.256 29.363 12.893 1 1 199 . 6 1 1 A 57 57 LEU N N 72 117.293 119.299 -2.006 1 1 200 . 6 1 1 A 58 58 LYS H H 73 7.101 7.387 -0.286 1 1 201 . 6 1 1 A 58 58 LYS CA C 73 62.302 55.402 6.900 1 1 202 . 6 1 1 A 58 58 LYS CB C 73 30.098 39.389 -9.291 1 1 203 . 6 1 1 A 58 58 LYS N N 73 115.956 116.304 -0.348 1 1 204 . 6 1 1 A 59 59 PRO CA C 74 65.581 55.704 9.877 1 1 205 . 6 1 1 A 59 59 PRO CB C 74 30.726 41.843 -11.117 1 1 206 . 6 1 1 A 60 60 LYS H H 75 6.694 8.935 -2.241 1 1 207 . 6 1 1 A 60 60 LYS CA C 75 58.353 60.431 -2.078 1 1 208 . 6 1 1 A 60 60 LYS CB C 75 32.606 35.628 -3.022 1 1 209 . 6 1 1 A 60 60 LYS N N 75 115.897 119.047 -3.150 1 1 210 . 6 1 1 A 61 61 PHE H H 76 8.285 8.625 -0.340 1 1 211 . 6 1 1 A 61 61 PHE CA C 76 60.241 55.900 4.341 1 1 212 . 6 1 1 A 61 61 PHE CB C 76 41.785 32.301 9.484 1 1 213 . 6 1 1 A 61 61 PHE N N 76 120.489 125.947 -5.458 1 1 214 . 6 1 1 A 62 62 ALA H H 77 9.036 8.052 0.984 1 1 215 . 6 1 1 A 62 62 ALA CA C 77 55.215 61.768 -6.553 1 1 216 . 6 1 1 A 62 62 ALA CB C 77 19.141 32.379 -13.238 1 1 217 . 6 1 1 A 62 62 ALA N N 77 119.890 124.822 -4.932 1 1 218 . 6 1 1 A 63 63 GLU H H 78 7.541 9.082 -1.541 1 1 219 . 6 1 1 A 63 63 GLU CA C 78 55.965 52.580 3.385 1 1 220 . 6 1 1 A 63 63 GLU CB C 78 29.630 39.332 -9.702 1 1 221 . 6 1 1 A 63 63 GLU N N 78 111.511 126.057 -14.546 1 1 222 . 6 1 1 A 64 64 SER H H 79 6.861 8.815 -1.954 1 1 223 . 6 1 1 A 64 64 SER CA C 79 57.323 54.794 2.529 1 1 224 . 6 1 1 A 64 64 SER CB C 79 63.306 43.695 19.611 1 1 225 . 6 1 1 A 64 64 SER N N 79 111.856 128.730 -16.874 1 1 226 . 6 1 1 A 65 65 THR H H 80 9.169 8.516 0.653 1 1 227 . 6 1 1 A 65 65 THR CA C 80 65.335 54.548 10.787 1 1 228 . 6 1 1 A 65 65 THR CB C 80 68.216 32.303 35.913 1 1 229 . 6 1 1 A 65 65 THR N N 80 129.658 125.989 3.669 1 1 230 . 6 1 1 A 66 66 GLU H H 81 8.354 8.798 -0.444 1 1 231 . 6 1 1 A 66 66 GLU CA C 81 60.236 56.489 3.747 1 1 232 . 6 1 1 A 66 66 GLU CB C 81 30.136 39.623 -9.487 1 1 233 . 6 1 1 A 66 66 GLU N N 81 123.573 121.563 2.010 1 1 234 . 6 1 1 A 67 67 ILE H H 82 7.922 7.706 0.216 1 1 235 . 6 1 1 A 67 67 ILE CA C 82 66.084 59.407 6.677 1 1 236 . 6 1 1 A 67 67 ILE CB C 82 37.806 29.031 8.775 1 1 237 . 6 1 1 A 67 67 ILE N N 82 119.503 117.730 1.773 1 1 238 . 6 1 1 A 68 68 SER H H 83 7.214 7.983 -0.769 1 1 239 . 6 1 1 A 68 68 SER CA C 83 63.512 58.719 4.793 1 1 240 . 6 1 1 A 68 68 SER CB C 83 62.330 28.595 33.735 1 1 241 . 6 1 1 A 68 68 SER N N 83 112.464 118.584 -6.120 1 1 242 . 6 1 1 A 69 69 GLU H H 84 8.224 8.982 -0.758 1 1 243 . 6 1 1 A 69 69 GLU CA C 84 59.597 57.729 1.868 1 1 244 . 6 1 1 A 69 69 GLU CB C 84 29.640 32.358 -2.718 1 1 245 . 6 1 1 A 69 69 GLU N N 84 120.267 121.217 -0.950 1 1 247 . 6 1 1 A 70 70 LEU CA C 85 57.423 64.955 -7.532 1 1 248 . 6 1 1 A 70 70 LEU CB C 85 42.942 30.876 12.066 1 1 249 . 6 1 1 A 70 70 LEU N N 85 119.797 135.571 -15.774 1 1 250 . 6 1 1 A 71 71 SER H H 86 8.580 8.183 0.397 1 1 251 . 6 1 1 A 71 71 SER CA C 86 62.310 57.223 5.087 1 1 252 . 6 1 1 A 71 71 SER CB C 86 62.306 30.101 32.205 1 1 253 . 6 1 1 A 71 71 SER N N 86 114.965 117.644 -2.679 1 1 254 . 6 1 1 A 72 72 HIS H H 87 7.189 7.638 -0.449 1 1 255 . 6 1 1 A 72 72 HIS CA C 87 57.593 52.583 5.010 1 1 256 . 6 1 1 A 72 72 HIS CB C 87 28.816 43.539 -14.723 1 1 257 . 6 1 1 A 72 72 HIS N N 87 119.159 119.802 -0.643 1 1 258 . 6 1 1 A 73 73 ASN H H 88 8.148 8.671 -0.523 1 1 261 . 6 1 1 A 73 73 ASN CA C 88 52.994 58.685 -5.691 1 1 262 . 6 1 1 A 73 73 ASN CB C 88 38.894 29.113 9.781 1 1 263 . 6 1 1 A 73 73 ASN N N 88 116.602 121.193 -4.591 1 1 265 . 6 1 1 A 74 74 PHE H H 89 7.623 7.721 -0.098 1 1 266 . 6 1 1 A 74 74 PHE CA C 89 56.882 56.407 0.475 1 1 267 . 6 1 1 A 74 74 PHE CB C 89 44.873 40.613 4.260 1 1 268 . 6 1 1 A 74 74 PHE N N 89 114.645 118.383 -3.738 1 1 269 . 6 1 1 A 75 75 VAL H H 90 8.952 6.756 2.196 1 1 270 . 6 1 1 A 75 75 VAL CA C 90 63.301 56.832 6.469 1 1 271 . 6 1 1 A 75 75 VAL CB C 90 31.213 40.130 -8.917 1 1 272 . 6 1 1 A 75 75 VAL N N 90 120.004 113.857 6.147 1 1 273 . 6 1 1 A 76 76 MET H H 91 7.486 7.575 -0.089 1 1 274 . 6 1 1 A 76 76 MET CA C 91 53.528 55.847 -2.319 1 1 275 . 6 1 1 A 76 76 MET CB C 91 30.717 63.352 -32.635 1 1 276 . 6 1 1 A 76 76 MET N N 91 129.189 115.692 13.497 1 1 278 . 6 1 1 A 77 77 VAL CA C 92 60.953 62.970 -2.017 1 1 279 . 6 1 1 A 77 77 VAL CB C 92 37.090 29.929 7.161 1 1 280 . 6 1 1 A 77 77 VAL N N 92 122.955 136.184 -13.229 1 1 281 . 6 1 1 A 78 78 ASN H H 93 10.248 7.937 2.311 1 1 283 . 6 1 1 A 78 78 ASN CA C 93 52.125 54.815 -2.690 1 1 284 . 6 1 1 A 78 78 ASN CB C 93 41.857 42.857 -1.000 1 1 285 . 6 1 1 A 78 78 ASN N N 93 126.507 121.085 5.422 1 1 287 . 6 1 1 A 79 79 LEU H H 94 9.104 8.035 1.069 1 1 288 . 6 1 1 A 79 79 LEU CA C 94 52.410 44.547 7.863 1 1 290 . 6 1 1 A 79 79 LEU N N 94 123.073 107.994 15.079 1 1 291 . 6 1 1 A 80 80 GLU H H 95 9.161 8.349 0.812 1 1 292 . 6 1 1 A 80 80 GLU CA C 95 53.391 45.613 7.778 1 1 294 . 6 1 1 A 80 80 GLU N N 95 125.765 110.758 15.007 1 1 295 . 6 1 1 A 81 81 ASP H H 96 8.107 7.371 0.736 1 1 296 . 6 1 1 A 81 81 ASP CA C 96 57.563 55.689 1.874 1 1 297 . 6 1 1 A 81 81 ASP CB C 96 38.605 41.561 -2.956 1 1 298 . 6 1 1 A 81 81 ASP N N 96 126.380 118.172 8.208 1 1 299 . 6 1 1 A 82 82 GLU H H 97 8.836 8.927 -0.091 1 1 300 . 6 1 1 A 82 82 GLU CA C 97 58.555 57.477 1.078 1 1 301 . 6 1 1 A 82 82 GLU CB C 97 28.422 40.938 -12.516 1 1 302 . 6 1 1 A 82 82 GLU N N 97 123.966 114.352 9.614 1 1 304 . 6 1 1 A 83 83 GLU CA C 98 56.619 62.289 -5.670 1 1 305 . 6 1 1 A 83 83 GLU CB C 98 30.722 32.921 -2.199 1 1 306 . 6 1 1 A 83 83 GLU N N 98 118.069 143.191 -25.122 1 1 307 . 6 1 1 A 84 84 GLU H H 99 7.298 8.197 -0.899 1 1 308 . 6 1 1 A 84 84 GLU CA C 99 54.482 54.567 -0.085 1 1 309 . 6 1 1 A 84 84 GLU CB C 99 29.535 34.283 -4.748 1 1 310 . 6 1 1 A 84 84 GLU N N 99 119.571 121.826 -2.255 1 1 311 . 6 1 1 A 85 85 PRO CA C 100 62.512 60.325 2.187 1 1 312 . 6 1 1 A 85 85 PRO CB C 100 32.805 39.056 -6.251 1 1 313 . 6 1 1 A 86 86 LYS H H 101 8.640 8.412 0.228 1 1 314 . 6 1 1 A 86 86 LYS CA C 101 55.615 52.898 2.717 1 1 315 . 6 1 1 A 86 86 LYS CB C 101 31.117 44.340 -13.223 1 1 316 . 6 1 1 A 86 86 LYS N N 101 122.999 128.052 -5.053 1 1 317 . 6 1 1 A 87 87 ASP H H 102 7.395 8.697 -1.302 1 1 318 . 6 1 1 A 87 87 ASP CA C 102 54.233 57.084 -2.851 1 1 319 . 6 1 1 A 87 87 ASP CB C 102 42.084 40.957 1.127 1 1 320 . 6 1 1 A 87 87 ASP N N 102 119.006 123.660 -4.654 1 1 321 . 6 1 1 A 88 88 GLU H H 103 9.217 8.156 1.061 1 1 322 . 6 1 1 A 88 88 GLU CA C 103 58.996 53.109 5.887 1 1 323 . 6 1 1 A 88 88 GLU CB C 103 29.226 45.111 -15.885 1 1 324 . 6 1 1 A 88 88 GLU N N 103 127.412 118.342 9.070 1 1 325 . 6 1 1 A 89 89 ASP H H 104 9.043 8.029 1.014 1 1 326 . 6 1 1 A 89 89 ASP CA C 104 56.138 52.567 3.571 1 1 327 . 6 1 1 A 89 89 ASP CB C 104 39.487 40.131 -0.644 1 1 328 . 6 1 1 A 89 89 ASP N N 104 121.056 119.568 1.488 1 1 330 . 6 1 1 A 90 90 PHE CA C 105 58.124 63.221 -5.097 1 1 331 . 6 1 1 A 90 90 PHE CB C 105 38.909 31.093 7.816 1 1 332 . 6 1 1 A 90 90 PHE N N 105 111.473 138.298 -26.825 1 1 333 . 6 1 1 A 91 91 SER H H 106 7.907 7.970 -0.063 1 1 334 . 6 1 1 A 91 91 SER CA C 106 55.565 58.334 -2.769 1 1 335 . 6 1 1 A 91 91 SER CB C 106 63.139 66.009 -2.870 1 1 336 . 6 1 1 A 91 91 SER N N 106 115.544 115.110 0.434 1 1 337 . 6 1 1 A 92 92 PRO CA C 107 65.329 45.480 19.849 1 1 339 . 6 1 1 A 93 93 ASP H H 108 9.095 7.361 1.734 1 1 340 . 6 1 1 A 93 93 ASP CA C 108 52.726 54.777 -2.051 1 1 341 . 6 1 1 A 93 93 ASP CB C 108 40.551 32.308 8.243 1 1 342 . 6 1 1 A 93 93 ASP N N 108 115.482 119.819 -4.337 1 1 343 . 6 1 1 A 94 94 GLY H H 109 6.947 7.804 -0.857 1 1 344 . 6 1 1 A 94 94 GLY CA C 109 44.385 63.507 -19.122 1 1 345 . 6 1 1 A 94 94 GLY N N 109 106.691 123.372 -16.681 1 1 346 . 6 1 1 A 95 95 GLY H H 110 8.423 8.319 0.104 1 1 347 . 6 1 1 A 95 95 GLY CA C 110 45.873 53.116 -7.243 1 1 348 . 6 1 1 A 95 95 GLY N N 110 107.178 124.146 -16.968 1 1 350 . 6 1 1 A 96 96 TYR CA C 111 55.619 63.503 -7.884 1 1 351 . 6 1 1 A 96 96 TYR CB C 111 38.312 30.539 7.773 1 1 352 . 6 1 1 A 96 96 TYR N N 111 116.246 137.593 -21.347 1 1 353 . 6 1 1 A 97 97 ILE H H 112 7.878 9.422 -1.544 1 1 354 . 6 1 1 A 97 97 ILE CA C 112 58.650 59.362 -0.712 1 1 355 . 6 1 1 A 97 97 ILE N N 112 113.713 120.648 -6.935 1 1 356 . 6 1 1 A 98 98 PRO CA C 113 62.337 60.932 1.405 1 1 357 . 6 1 1 A 98 98 PRO CB C 113 34.315 38.764 -4.449 1 1 358 . 6 1 1 A 99 99 ARG H H 114 8.514 8.777 -0.263 1 1 359 . 6 1 1 A 99 99 ARG CA C 114 54.460 61.673 -7.213 1 1 360 . 6 1 1 A 99 99 ARG CB C 114 34.399 38.344 -3.945 1 1 361 . 6 1 1 A 99 99 ARG N N 114 117.550 122.613 -5.063 1 1 362 . 6 1 1 A 100 100 ILE H H 115 8.819 7.962 0.857 1 1 363 . 6 1 1 A 100 100 ILE CA C 115 60.937 54.063 6.874 1 1 364 . 6 1 1 A 100 100 ILE CB C 115 39.021 40.859 -1.838 1 1 365 . 6 1 1 A 100 100 ILE N N 115 122.056 119.433 2.623 1 1 366 . 6 1 1 A 101 101 LEU H H 116 8.692 8.242 0.450 1 1 367 . 6 1 1 A 101 101 LEU CA C 116 52.377 59.371 -6.994 1 1 368 . 6 1 1 A 101 101 LEU CB C 116 46.493 27.692 18.801 1 1 369 . 6 1 1 A 101 101 LEU N N 116 127.243 117.608 9.635 1 1 370 . 6 1 1 A 102 102 PHE H H 117 9.004 8.932 0.072 1 1 371 . 6 1 1 A 102 102 PHE CA C 117 57.076 52.627 4.449 1 1 372 . 6 1 1 A 102 102 PHE CB C 117 42.048 38.988 3.060 1 1 373 . 6 1 1 A 102 102 PHE N N 117 116.784 118.163 -1.379 1 1 374 . 6 1 1 A 103 103 LEU H H 118 9.303 7.763 1.540 1 1 375 . 6 1 1 A 103 103 LEU CA C 118 53.487 46.403 7.084 1 1 377 . 6 1 1 A 103 103 LEU N N 118 124.741 108.257 16.484 1 1 378 . 6 1 1 A 104 104 ASP H H 119 8.351 8.283 0.068 1 1 379 . 6 1 1 A 104 104 ASP CA C 119 52.555 53.883 -1.328 1 1 380 . 6 1 1 A 104 104 ASP CB C 119 39.406 37.573 1.833 1 1 381 . 6 1 1 A 104 104 ASP N N 119 117.539 117.687 -0.148 1 1 382 . 6 1 1 A 105 105 PRO CA C 120 65.106 62.903 2.203 1 1 383 . 6 1 1 A 105 105 PRO CB C 120 31.459 29.870 1.589 1 1 384 . 6 1 1 A 106 106 SER H H 121 8.229 7.990 0.239 1 1 385 . 6 1 1 A 106 106 SER CA C 121 58.891 57.183 1.708 1 1 386 . 6 1 1 A 106 106 SER CB C 121 64.061 63.872 0.189 1 1 387 . 6 1 1 A 106 106 SER N N 121 111.546 115.985 -4.439 1 1 388 . 6 1 1 A 107 107 GLY H H 122 8.970 7.924 1.046 1 1 389 . 6 1 1 A 107 107 GLY CA C 122 45.417 58.718 -13.301 1 1 390 . 6 1 1 A 107 107 GLY N N 122 111.616 120.712 -9.096 1 1 391 . 6 1 1 A 108 108 LYS H H 123 7.405 7.810 -0.405 1 1 392 . 6 1 1 A 108 108 LYS CA C 123 54.729 58.444 -3.715 1 1 393 . 6 1 1 A 108 108 LYS CB C 123 32.929 30.984 1.945 1 1 394 . 6 1 1 A 108 108 LYS N N 123 120.930 116.640 4.290 1 1 395 . 6 1 1 A 109 109 VAL H H 124 8.875 8.345 0.530 1 1 396 . 6 1 1 A 109 109 VAL CA C 124 64.103 60.900 3.203 1 1 397 . 6 1 1 A 109 109 VAL CB C 124 32.249 38.310 -6.061 1 1 398 . 6 1 1 A 109 109 VAL N N 124 126.925 119.730 7.195 1 1 399 . 6 1 1 A 110 110 HIS H H 125 8.911 7.651 1.260 1 1 400 . 6 1 1 A 110 110 HIS CA C 125 54.469 58.582 -4.113 1 1 401 . 6 1 1 A 110 110 HIS CB C 125 28.893 39.058 -10.165 1 1 402 . 6 1 1 A 110 110 HIS N N 125 127.112 122.474 4.638 1 1 403 . 6 1 1 A 111 111 PRO CA C 126 63.311 56.327 6.984 1 1 404 . 6 1 1 A 111 111 PRO CB C 126 32.232 39.296 -7.064 1 1 405 . 6 1 1 A 112 112 GLU H H 127 10.959 9.006 1.953 1 1 406 . 6 1 1 A 112 112 GLU CA C 127 57.439 60.718 -3.279 1 1 407 . 6 1 1 A 112 112 GLU CB C 127 27.174 31.315 -4.141 1 1 408 . 6 1 1 A 112 112 GLU N N 127 123.144 126.313 -3.169 1 1 409 . 6 1 1 A 113 113 ILE H H 128 7.493 7.924 -0.431 1 1 410 . 6 1 1 A 113 113 ILE CA C 128 61.518 57.576 3.942 1 1 411 . 6 1 1 A 113 113 ILE CB C 128 35.365 65.489 -30.124 1 1 412 . 6 1 1 A 113 113 ILE N N 128 123.479 119.758 3.721 1 1 413 . 6 1 1 A 114 114 ILE H H 129 8.300 8.970 -0.670 1 1 414 . 6 1 1 A 114 114 ILE CA C 129 59.109 54.288 4.821 1 1 415 . 6 1 1 A 114 114 ILE CB C 129 42.309 18.409 23.900 1 1 416 . 6 1 1 A 114 114 ILE N N 129 123.439 126.455 -3.016 1 1 417 . 6 1 1 A 115 115 ASN H H 130 8.622 7.992 0.630 1 1 420 . 6 1 1 A 115 115 ASN CA C 130 51.381 59.474 -8.093 1 1 421 . 6 1 1 A 115 115 ASN CB C 130 35.215 29.471 5.744 1 1 422 . 6 1 1 A 115 115 ASN N N 130 114.712 119.003 -4.291 1 1 424 . 6 1 1 A 116 116 GLU H H 131 8.463 8.121 0.342 1 1 425 . 6 1 1 A 116 116 GLU CA C 131 58.882 58.919 -0.037 1 1 426 . 6 1 1 A 116 116 GLU CB C 131 29.606 28.427 1.179 1 1 427 . 6 1 1 A 116 116 GLU N N 131 127.900 118.956 8.944 1 1 428 . 6 1 1 A 117 117 ASN H H 132 7.545 7.316 0.229 1 1 431 . 6 1 1 A 117 117 ASN CA C 132 52.960 65.037 -12.077 1 1 432 . 6 1 1 A 117 117 ASN CB C 132 39.777 31.012 8.765 1 1 433 . 6 1 1 A 117 117 ASN N N 132 113.958 115.634 -1.676 1 1 435 . 6 1 1 A 118 118 GLY H H 133 7.109 7.215 -0.106 1 1 436 . 6 1 1 A 118 118 GLY CA C 133 44.662 64.822 -20.160 1 1 437 . 6 1 1 A 118 118 GLY N N 133 107.288 122.262 -14.974 1 1 438 . 6 1 1 A 119 119 ASN H H 134 8.795 8.482 0.313 1 1 441 . 6 1 1 A 119 119 ASN CA C 134 50.277 58.281 -8.004 1 1 442 . 6 1 1 A 119 119 ASN CB C 134 40.102 27.978 12.124 1 1 443 . 6 1 1 A 119 119 ASN N N 134 122.889 119.591 3.298 1 1 445 . 6 1 1 A 120 120 PRO CA C 135 64.320 46.294 18.026 1 1 447 . 6 1 1 A 121 121 SER H H 136 8.260 7.912 0.348 1 1 448 . 6 1 1 A 121 121 SER CA C 136 60.199 58.367 1.832 1 1 449 . 6 1 1 A 121 121 SER CB C 136 63.228 32.708 30.520 1 1 450 . 6 1 1 A 121 121 SER N N 136 113.554 120.488 -6.934 1 1 451 . 6 1 1 A 122 122 TYR H H 137 7.580 8.672 -1.092 1 1 452 . 6 1 1 A 122 122 TYR CA C 137 54.584 58.432 -3.848 1 1 453 . 6 1 1 A 122 122 TYR CB C 137 38.872 31.587 7.285 1 1 454 . 6 1 1 A 122 122 TYR N N 137 119.864 118.293 1.571 1 1 455 . 6 1 1 A 123 123 LYS H H 138 9.556 7.974 1.582 1 1 456 . 6 1 1 A 123 123 LYS CA C 138 60.415 58.494 1.921 1 1 457 . 6 1 1 A 123 123 LYS CB C 138 31.945 30.412 1.533 1 1 458 . 6 1 1 A 123 123 LYS N N 138 123.955 119.706 4.249 1 1 459 . 6 1 1 A 124 124 TYR H H 139 8.486 8.010 0.476 1 1 460 . 6 1 1 A 124 124 TYR CA C 139 56.009 54.853 1.156 1 1 461 . 6 1 1 A 124 124 TYR CB C 139 37.666 18.045 19.621 1 1 462 . 6 1 1 A 124 124 TYR N N 139 113.738 121.731 -7.993 1 1 463 . 6 1 1 A 125 125 PHE H H 140 7.562 8.621 -1.059 1 1 464 . 6 1 1 A 125 125 PHE CA C 140 56.561 57.610 -1.049 1 1 465 . 6 1 1 A 125 125 PHE CB C 140 40.897 27.274 13.623 1 1 466 . 6 1 1 A 125 125 PHE N N 140 122.592 115.463 7.129 1 1 467 . 6 1 1 A 126 126 TYR H H 141 8.133 8.516 -0.383 1 1 468 . 6 1 1 A 126 126 TYR CA C 141 57.326 58.133 -0.807 1 1 469 . 6 1 1 A 126 126 TYR CB C 141 41.768 30.934 10.834 1 1 470 . 6 1 1 A 126 126 TYR N N 141 129.225 119.152 10.073 1 1 471 . 6 1 1 A 127 127 VAL H H 142 8.081 7.988 0.093 1 1 472 . 6 1 1 A 127 127 VAL CA C 142 61.414 58.846 2.568 1 1 473 . 6 1 1 A 127 127 VAL CB C 142 34.245 30.336 3.909 1 1 474 . 6 1 1 A 127 127 VAL N N 142 112.892 119.422 -6.530 1 1 475 . 6 1 1 A 128 128 SER H H 143 7.362 8.224 -0.862 1 1 476 . 6 1 1 A 128 128 SER CA C 143 55.028 57.740 -2.712 1 1 477 . 6 1 1 A 128 128 SER CB C 143 67.261 41.943 25.318 1 1 478 . 6 1 1 A 128 128 SER N N 143 112.848 122.452 -9.604 1 1 479 . 6 1 1 A 129 129 ALA H H 144 9.331 7.771 1.560 1 1 480 . 6 1 1 A 129 129 ALA CA C 144 55.568 63.494 -7.926 1 1 481 . 6 1 1 A 129 129 ALA CB C 144 18.005 68.436 -50.431 1 1 482 . 6 1 1 A 129 129 ALA N N 144 124.250 108.807 15.443 1 1 483 . 6 1 1 A 130 130 GLU H H 145 9.152 8.657 0.495 1 1 484 . 6 1 1 A 130 130 GLU CA C 145 60.626 45.099 15.527 1 1 486 . 6 1 1 A 130 130 GLU N N 145 116.980 113.574 3.406 1 1 487 . 6 1 1 A 131 131 GLN H H 146 7.621 8.559 -0.938 1 1 490 . 6 1 1 A 131 131 GLN CA C 146 58.552 53.150 5.402 1 1 491 . 6 1 1 A 131 131 GLN CB C 146 29.038 41.925 -12.887 1 1 492 . 6 1 1 A 131 131 GLN N N 146 117.565 125.443 -7.878 1 1 494 . 6 1 1 A 132 132 VAL H H 147 7.780 8.111 -0.331 1 1 495 . 6 1 1 A 132 132 VAL CA C 147 66.928 54.058 12.870 1 1 496 . 6 1 1 A 132 132 VAL CB C 147 31.324 19.034 12.290 1 1 497 . 6 1 1 A 132 132 VAL N N 147 121.486 122.239 -0.753 1 1 498 . 6 1 1 A 133 133 VAL H H 148 8.609 7.936 0.673 1 1 499 . 6 1 1 A 133 133 VAL CA C 148 67.053 60.764 6.289 1 1 500 . 6 1 1 A 133 133 VAL CB C 148 31.927 37.565 -5.638 1 1 501 . 6 1 1 A 133 133 VAL N N 148 119.560 114.114 5.446 1 1 502 . 6 1 1 A 134 134 GLN H H 149 7.365 6.851 0.514 1 1 505 . 6 1 1 A 134 134 GLN CA C 149 59.382 56.124 3.258 1 1 506 . 6 1 1 A 134 134 GLN CB C 149 27.860 30.705 -2.845 1 1 507 . 6 1 1 A 134 134 GLN N N 149 117.080 121.381 -4.301 1 1 509 . 6 1 1 A 135 135 GLY H H 150 8.085 8.316 -0.231 1 1 510 . 6 1 1 A 135 135 GLY CA C 150 47.499 55.530 -8.031 1 1 511 . 6 1 1 A 135 135 GLY N N 150 107.849 124.741 -16.892 1 1 512 . 6 1 1 A 136 136 MET H H 151 8.593 8.978 -0.385 1 1 513 . 6 1 1 A 136 136 MET CA C 151 59.730 57.729 2.001 1 1 514 . 6 1 1 A 136 136 MET CB C 151 35.435 35.337 0.098 1 1 515 . 6 1 1 A 136 136 MET N N 151 119.390 123.418 -4.028 1 1 516 . 6 1 1 A 137 137 LYS H H 152 8.591 8.214 0.377 1 1 517 . 6 1 1 A 137 137 LYS CA C 152 60.659 57.206 3.453 1 1 518 . 6 1 1 A 137 137 LYS CB C 152 32.617 31.061 1.556 1 1 519 . 6 1 1 A 137 137 LYS N N 152 119.226 114.041 5.185 1 1 520 . 6 1 1 A 138 138 GLU H H 153 7.870 8.133 -0.263 1 1 521 . 6 1 1 A 138 138 GLU CA C 153 59.134 57.258 1.876 1 1 522 . 6 1 1 A 138 138 GLU CB C 153 28.879 40.978 -12.099 1 1 523 . 6 1 1 A 138 138 GLU N N 153 120.709 117.917 2.792 1 1 524 . 6 1 1 A 139 139 ALA H H 154 8.493 8.483 0.010 1 1 525 . 6 1 1 A 139 139 ALA CA C 154 55.450 56.556 -1.106 1 1 526 . 6 1 1 A 139 139 ALA CB C 154 18.695 32.311 -13.616 1 1 527 . 6 1 1 A 139 139 ALA N N 154 120.598 121.103 -0.505 1 1 528 . 6 1 1 A 140 140 GLN H H 155 8.582 8.802 -0.220 1 1 531 . 6 1 1 A 140 140 GLN CA C 155 59.239 53.262 5.977 1 1 532 . 6 1 1 A 140 140 GLN CB C 155 28.027 44.682 -16.655 1 1 533 . 6 1 1 A 140 140 GLN N N 155 116.438 124.438 -8.000 1 1 535 . 6 1 1 A 141 141 GLU H H 156 7.563 8.709 -1.146 1 1 536 . 6 1 1 A 141 141 GLU CA C 156 58.896 56.435 2.461 1 1 537 . 6 1 1 A 141 141 GLU CB C 156 29.885 30.681 -0.796 1 1 538 . 6 1 1 A 141 141 GLU N N 156 118.759 121.850 -3.091 1 1 1 . 7 1 1 A 7 7 HIS CA C 22 56.307 57.210 -0.903 1 1 2 . 7 1 1 A 7 7 HIS CB C 22 30.341 30.970 -0.629 1 1 3 . 7 1 1 A 8 8 MET H H 23 8.449 6.606 1.843 1 1 4 . 7 1 1 A 8 8 MET CA C 23 55.742 62.803 -7.061 1 1 5 . 7 1 1 A 8 8 MET CB C 23 32.842 36.274 -3.432 1 1 6 . 7 1 1 A 8 8 MET N N 23 122.176 120.616 1.560 1 1 7 . 7 1 1 A 9 9 SER H H 24 8.428 6.191 2.237 1 1 8 . 7 1 1 A 9 9 SER CA C 24 58.412 54.968 3.444 1 1 9 . 7 1 1 A 9 9 SER CB C 24 63.900 28.463 35.437 1 1 10 . 7 1 1 A 9 9 SER N N 24 116.789 120.748 -3.959 1 1 11 . 7 1 1 A 10 10 ASP H H 25 8.382 7.797 0.585 1 1 12 . 7 1 1 A 10 10 ASP CA C 25 54.487 56.592 -2.105 1 1 13 . 7 1 1 A 10 10 ASP CB C 25 41.285 31.690 9.595 1 1 14 . 7 1 1 A 10 10 ASP N N 25 122.384 118.245 4.139 1 1 15 . 7 1 1 A 11 11 GLY H H 26 8.363 8.304 0.059 1 1 16 . 7 1 1 A 11 11 GLY CA C 26 45.546 58.672 -13.126 1 1 17 . 7 1 1 A 11 11 GLY N N 26 108.671 121.505 -12.834 1 1 18 . 7 1 1 A 12 12 HIS H H 27 8.350 7.459 0.891 1 1 19 . 7 1 1 A 12 12 HIS CA C 27 56.103 61.182 -5.079 1 1 20 . 7 1 1 A 12 12 HIS CB C 27 29.813 71.630 -41.817 1 1 21 . 7 1 1 A 12 12 HIS N N 27 118.814 111.370 7.444 1 1 22 . 7 1 1 A 13 13 ASN H H 28 8.505 8.719 -0.214 1 1 25 . 7 1 1 A 13 13 ASN CA C 28 53.482 58.273 -4.791 1 1 26 . 7 1 1 A 13 13 ASN CB C 28 39.386 41.722 -2.336 1 1 27 . 7 1 1 A 13 13 ASN N N 28 119.523 128.748 -9.225 1 1 29 . 7 1 1 A 14 14 GLY H H 29 8.743 7.993 0.750 1 1 30 . 7 1 1 A 14 14 GLY CA C 29 45.534 59.639 -14.105 1 1 31 . 7 1 1 A 14 14 GLY N N 29 110.136 120.330 -10.194 1 1 32 . 7 1 1 A 15 15 LEU H H 30 8.466 8.429 0.037 1 1 33 . 7 1 1 A 15 15 LEU CA C 30 56.146 57.069 -0.923 1 1 34 . 7 1 1 A 15 15 LEU CB C 30 42.864 40.451 2.413 1 1 35 . 7 1 1 A 15 15 LEU N N 30 120.511 119.337 1.174 1 1 36 . 7 1 1 A 16 16 GLY H H 31 8.886 7.957 0.929 1 1 37 . 7 1 1 A 16 16 GLY CA C 31 47.064 47.317 -0.253 1 1 38 . 7 1 1 A 16 16 GLY N N 31 108.073 107.744 0.329 1 1 39 . 7 1 1 A 17 17 LYS H H 32 7.854 7.813 0.041 1 1 40 . 7 1 1 A 17 17 LYS CA C 32 55.661 58.813 -3.152 1 1 41 . 7 1 1 A 17 17 LYS CB C 32 29.379 32.392 -3.013 1 1 42 . 7 1 1 A 17 17 LYS N N 32 110.952 121.594 -10.642 1 1 43 . 7 1 1 A 18 18 GLY H H 33 8.095 7.854 0.241 1 1 44 . 7 1 1 A 18 18 GLY CA C 33 44.893 58.929 -14.036 1 1 45 . 7 1 1 A 18 18 GLY N N 33 103.957 118.609 -14.652 1 1 46 . 7 1 1 A 19 19 PHE H H 34 7.887 8.070 -0.183 1 1 47 . 7 1 1 A 19 19 PHE CA C 34 61.146 58.768 2.378 1 1 48 . 7 1 1 A 19 19 PHE CB C 34 38.963 29.521 9.442 1 1 49 . 7 1 1 A 19 19 PHE N N 34 117.883 119.035 -1.152 1 1 50 . 7 1 1 A 20 20 GLY H H 35 7.696 8.265 -0.569 1 1 51 . 7 1 1 A 20 20 GLY CA C 35 45.189 54.887 -9.698 1 1 52 . 7 1 1 A 20 20 GLY N N 35 102.668 121.320 -18.652 1 1 53 . 7 1 1 A 21 21 ASP H H 36 9.284 7.655 1.629 1 1 54 . 7 1 1 A 21 21 ASP CA C 36 56.026 55.117 0.909 1 1 55 . 7 1 1 A 21 21 ASP CB C 36 40.543 18.403 22.140 1 1 56 . 7 1 1 A 21 21 ASP N N 36 129.289 120.349 8.940 1 1 57 . 7 1 1 A 22 22 HIS H H 37 9.058 8.117 0.941 1 1 58 . 7 1 1 A 22 22 HIS CA C 37 56.628 55.142 1.486 1 1 59 . 7 1 1 A 22 22 HIS CB C 37 29.941 18.736 11.205 1 1 60 . 7 1 1 A 22 22 HIS N N 37 116.742 120.427 -3.685 1 1 61 . 7 1 1 A 23 23 ILE H H 38 6.449 7.995 -1.546 1 1 62 . 7 1 1 A 23 23 ILE CA C 38 59.183 60.031 -0.848 1 1 63 . 7 1 1 A 23 23 ILE CB C 38 39.408 63.384 -23.976 1 1 64 . 7 1 1 A 23 23 ILE N N 38 124.704 113.029 11.675 1 1 65 . 7 1 1 A 24 24 HIS H H 39 7.857 8.718 -0.861 1 1 66 . 7 1 1 A 24 24 HIS CA C 39 52.931 46.735 6.196 1 1 68 . 7 1 1 A 24 24 HIS N N 39 124.600 109.790 14.810 1 1 69 . 7 1 1 A 25 25 TRP H H 40 8.032 7.667 0.365 1 1 71 . 7 1 1 A 25 25 TRP CA C 40 57.058 51.161 5.897 1 1 72 . 7 1 1 A 25 25 TRP CB C 40 30.411 43.761 -13.350 1 1 73 . 7 1 1 A 25 25 TRP N N 40 130.002 114.617 15.385 1 1 76 . 7 1 1 A 26 26 ARG CA C 41 54.500 62.582 -8.082 1 1 77 . 7 1 1 A 26 26 ARG CB C 41 35.055 32.326 2.729 1 1 78 . 7 1 1 A 26 26 ARG N N 41 122.005 134.823 -12.818 1 1 79 . 7 1 1 A 27 27 THR H H 42 8.562 7.938 0.624 1 1 80 . 7 1 1 A 27 27 THR CA C 42 61.294 53.848 7.446 1 1 81 . 7 1 1 A 27 27 THR CB C 42 70.325 42.033 28.292 1 1 82 . 7 1 1 A 27 27 THR N N 42 111.261 122.130 -10.869 1 1 83 . 7 1 1 A 28 28 LEU H H 43 8.994 8.508 0.486 1 1 84 . 7 1 1 A 28 28 LEU CA C 43 59.121 54.484 4.637 1 1 85 . 7 1 1 A 28 28 LEU CB C 43 41.515 31.478 10.037 1 1 86 . 7 1 1 A 28 28 LEU N N 43 121.976 124.903 -2.927 1 1 87 . 7 1 1 A 29 29 GLU H H 44 8.759 8.081 0.678 1 1 88 . 7 1 1 A 29 29 GLU CA C 44 59.928 61.137 -1.209 1 1 89 . 7 1 1 A 29 29 GLU CB C 44 29.342 33.246 -3.904 1 1 90 . 7 1 1 A 29 29 GLU N N 44 116.492 125.487 -8.995 1 1 91 . 7 1 1 A 30 30 ASP H H 45 7.692 8.324 -0.632 1 1 92 . 7 1 1 A 30 30 ASP CA C 45 57.131 60.076 -2.945 1 1 93 . 7 1 1 A 30 30 ASP CB C 45 40.093 41.285 -1.192 1 1 94 . 7 1 1 A 30 30 ASP N N 45 119.105 125.312 -6.207 1 1 95 . 7 1 1 A 31 31 GLY H H 46 9.224 8.813 0.411 1 1 96 . 7 1 1 A 31 31 GLY CA C 46 47.426 59.806 -12.380 1 1 97 . 7 1 1 A 31 31 GLY N N 46 111.508 129.645 -18.137 1 1 98 . 7 1 1 A 32 32 LYS H H 47 8.691 8.710 -0.019 1 1 99 . 7 1 1 A 32 32 LYS CA C 47 60.968 53.715 7.253 1 1 100 . 7 1 1 A 32 32 LYS CB C 47 32.534 29.977 2.557 1 1 101 . 7 1 1 A 32 32 LYS N N 47 121.519 124.777 -3.258 1 1 102 . 7 1 1 A 33 33 LYS H H 48 7.234 8.404 -1.170 1 1 103 . 7 1 1 A 33 33 LYS CA C 48 59.734 55.684 4.050 1 1 104 . 7 1 1 A 33 33 LYS CB C 48 32.349 33.089 -0.740 1 1 105 . 7 1 1 A 33 33 LYS N N 48 119.937 123.523 -3.586 1 1 106 . 7 1 1 A 34 34 GLU H H 49 8.179 8.612 -0.433 1 1 107 . 7 1 1 A 34 34 GLU CA C 49 58.911 58.603 0.308 1 1 108 . 7 1 1 A 34 34 GLU CB C 49 29.393 63.077 -33.684 1 1 109 . 7 1 1 A 34 34 GLU N N 49 121.748 116.614 5.134 1 1 110 . 7 1 1 A 35 35 ALA H H 50 9.142 8.704 0.438 1 1 111 . 7 1 1 A 35 35 ALA CA C 50 56.068 57.715 -1.647 1 1 112 . 7 1 1 A 35 35 ALA CB C 50 19.504 29.736 -10.232 1 1 113 . 7 1 1 A 35 35 ALA N N 50 125.093 121.659 3.434 1 1 114 . 7 1 1 A 36 36 ALA H H 51 7.548 8.855 -1.307 1 1 115 . 7 1 1 A 36 36 ALA CA C 51 54.765 57.976 -3.211 1 1 116 . 7 1 1 A 36 36 ALA CB C 51 18.095 30.914 -12.819 1 1 117 . 7 1 1 A 36 36 ALA N N 51 118.057 119.302 -1.245 1 1 118 . 7 1 1 A 37 37 ALA H H 52 7.517 8.368 -0.851 1 1 119 . 7 1 1 A 37 37 ALA CA C 52 54.200 45.963 8.237 1 1 121 . 7 1 1 A 37 37 ALA N N 52 118.541 114.076 4.465 1 1 122 . 7 1 1 A 38 38 SER H H 53 8.330 7.982 0.348 1 1 123 . 7 1 1 A 38 38 SER CA C 53 59.095 54.484 4.611 1 1 124 . 7 1 1 A 38 38 SER CB C 53 65.540 18.283 47.257 1 1 125 . 7 1 1 A 38 38 SER N N 53 110.905 124.239 -13.334 1 1 126 . 7 1 1 A 39 39 GLY H H 54 8.454 7.559 0.895 1 1 127 . 7 1 1 A 39 39 GLY CA C 54 46.559 61.217 -14.658 1 1 128 . 7 1 1 A 39 39 GLY N N 54 112.427 115.407 -2.980 1 1 129 . 7 1 1 A 40 40 LEU H H 55 7.580 8.119 -0.539 1 1 130 . 7 1 1 A 40 40 LEU CA C 55 51.891 59.266 -7.375 1 1 131 . 7 1 1 A 40 40 LEU CB C 55 43.061 32.242 10.819 1 1 132 . 7 1 1 A 40 40 LEU N N 55 121.312 121.061 0.251 1 1 133 . 7 1 1 A 41 41 PRO CA C 56 61.426 54.077 7.349 1 1 134 . 7 1 1 A 41 41 PRO CB C 56 32.878 18.601 14.277 1 1 135 . 7 1 1 A 42 42 LEU H H 57 8.447 7.892 0.555 1 1 136 . 7 1 1 A 42 42 LEU CA C 57 55.025 57.375 -2.350 1 1 137 . 7 1 1 A 42 42 LEU CB C 57 44.360 41.582 2.778 1 1 138 . 7 1 1 A 42 42 LEU N N 57 116.186 118.264 -2.078 1 1 139 . 7 1 1 A 43 43 MET H H 58 8.610 7.929 0.681 1 1 140 . 7 1 1 A 43 43 MET CA C 58 54.951 61.448 -6.497 1 1 141 . 7 1 1 A 43 43 MET CB C 58 34.319 31.080 3.239 1 1 142 . 7 1 1 A 43 43 MET N N 58 124.827 119.096 5.731 1 1 144 . 7 1 1 A 44 44 VAL CA C 59 60.237 65.026 -4.789 1 1 145 . 7 1 1 A 44 44 VAL CB C 59 34.052 31.372 2.680 1 1 146 . 7 1 1 A 44 44 VAL N N 59 125.176 132.643 -7.467 1 1 147 . 7 1 1 A 45 45 ILE H H 60 8.512 7.881 0.631 1 1 148 . 7 1 1 A 45 45 ILE CA C 60 60.138 59.059 1.079 1 1 149 . 7 1 1 A 45 45 ILE CB C 60 40.622 32.888 7.734 1 1 150 . 7 1 1 A 45 45 ILE N N 60 125.614 117.993 7.621 1 1 151 . 7 1 1 A 46 46 ILE H H 61 9.528 8.711 0.817 1 1 152 . 7 1 1 A 46 46 ILE CA C 61 61.356 61.640 -0.284 1 1 153 . 7 1 1 A 46 46 ILE CB C 61 39.017 39.757 -0.740 1 1 154 . 7 1 1 A 46 46 ILE N N 61 130.237 120.769 9.468 1 1 155 . 7 1 1 A 47 47 HIS H H 62 8.926 8.399 0.527 1 1 156 . 7 1 1 A 47 47 HIS CA C 62 54.153 55.011 -0.858 1 1 157 . 7 1 1 A 47 47 HIS CB C 62 35.638 18.497 17.141 1 1 158 . 7 1 1 A 47 47 HIS N N 62 121.634 121.112 0.522 1 1 159 . 7 1 1 A 48 48 LYS H H 63 7.798 8.767 -0.969 1 1 160 . 7 1 1 A 48 48 LYS CA C 63 52.412 58.636 -6.224 1 1 161 . 7 1 1 A 48 48 LYS CB C 63 33.666 29.387 4.279 1 1 162 . 7 1 1 A 48 48 LYS N N 63 116.188 119.272 -3.084 1 1 163 . 7 1 1 A 49 49 SER H H 64 10.807 9.107 1.700 1 1 164 . 7 1 1 A 49 49 SER CA C 64 60.779 60.347 0.432 1 1 165 . 7 1 1 A 49 49 SER CB C 64 62.612 62.086 0.526 1 1 166 . 7 1 1 A 49 49 SER N N 64 121.963 115.899 6.064 1 1 167 . 7 1 1 A 50 50 TRP H H 65 6.564 7.808 -1.244 1 1 169 . 7 1 1 A 50 50 TRP CA C 65 54.246 66.654 -12.408 1 1 170 . 7 1 1 A 50 50 TRP CB C 65 29.500 69.039 -39.539 1 1 171 . 7 1 1 A 50 50 TRP N N 65 115.717 116.500 -0.783 1 1 173 . 7 1 1 A 51 51 CYS H H 66 6.689 7.959 -1.270 1 1 174 . 7 1 1 A 51 51 CYS CA C 66 60.195 59.136 1.059 1 1 175 . 7 1 1 A 51 51 CYS CB C 66 30.909 29.147 1.762 1 1 176 . 7 1 1 A 51 51 CYS N N 66 125.894 118.982 6.912 1 1 177 . 7 1 1 A 52 52 GLY H H 67 9.301 7.976 1.325 1 1 178 . 7 1 1 A 52 52 GLY CA C 67 47.510 63.731 -16.221 1 1 179 . 7 1 1 A 52 52 GLY N N 67 119.542 121.804 -2.262 1 1 180 . 7 1 1 A 53 53 ALA H H 68 9.861 8.486 1.375 1 1 181 . 7 1 1 A 53 53 ALA CA C 68 55.404 61.423 -6.019 1 1 182 . 7 1 1 A 53 53 ALA CB C 68 18.521 62.309 -43.788 1 1 183 . 7 1 1 A 53 53 ALA N N 68 133.080 116.050 17.030 1 1 184 . 7 1 1 A 54 54 CYS H H 69 9.891 7.459 2.432 1 1 185 . 7 1 1 A 54 54 CYS CA C 69 64.497 59.045 5.452 1 1 186 . 7 1 1 A 54 54 CYS CB C 69 29.057 30.128 -1.071 1 1 187 . 7 1 1 A 54 54 CYS N N 69 127.404 122.570 4.834 1 1 188 . 7 1 1 A 55 55 LYS H H 70 8.059 8.110 -0.051 1 1 189 . 7 1 1 A 55 55 LYS CA C 70 59.840 57.261 2.579 1 1 190 . 7 1 1 A 55 55 LYS CB C 70 32.942 41.279 -8.337 1 1 191 . 7 1 1 A 55 55 LYS N N 70 118.141 120.690 -2.549 1 1 192 . 7 1 1 A 56 56 ALA H H 71 7.517 7.975 -0.458 1 1 193 . 7 1 1 A 56 56 ALA CA C 71 53.989 60.520 -6.531 1 1 194 . 7 1 1 A 56 56 ALA CB C 71 18.501 63.217 -44.716 1 1 195 . 7 1 1 A 56 56 ALA N N 71 118.540 114.730 3.810 1 1 196 . 7 1 1 A 57 57 LEU H H 72 7.351 7.838 -0.487 1 1 197 . 7 1 1 A 57 57 LEU CA C 72 56.998 58.670 -1.672 1 1 198 . 7 1 1 A 57 57 LEU CB C 72 42.256 29.176 13.080 1 1 199 . 7 1 1 A 57 57 LEU N N 72 117.293 118.935 -1.642 1 1 200 . 7 1 1 A 58 58 LYS H H 73 7.101 7.452 -0.351 1 1 201 . 7 1 1 A 58 58 LYS CA C 73 62.302 55.143 7.159 1 1 202 . 7 1 1 A 58 58 LYS CB C 73 30.098 39.129 -9.031 1 1 203 . 7 1 1 A 58 58 LYS N N 73 115.956 115.869 0.087 1 1 204 . 7 1 1 A 59 59 PRO CA C 74 65.581 55.891 9.690 1 1 205 . 7 1 1 A 59 59 PRO CB C 74 30.726 41.902 -11.176 1 1 206 . 7 1 1 A 60 60 LYS H H 75 6.694 8.474 -1.780 1 1 207 . 7 1 1 A 60 60 LYS CA C 75 58.353 60.367 -2.014 1 1 208 . 7 1 1 A 60 60 LYS CB C 75 32.606 35.743 -3.137 1 1 209 . 7 1 1 A 60 60 LYS N N 75 115.897 119.317 -3.420 1 1 210 . 7 1 1 A 61 61 PHE H H 76 8.285 8.685 -0.400 1 1 211 . 7 1 1 A 61 61 PHE CA C 76 60.241 56.095 4.146 1 1 212 . 7 1 1 A 61 61 PHE CB C 76 41.785 32.573 9.212 1 1 213 . 7 1 1 A 61 61 PHE N N 76 120.489 126.263 -5.774 1 1 214 . 7 1 1 A 62 62 ALA H H 77 9.036 8.334 0.702 1 1 215 . 7 1 1 A 62 62 ALA CA C 77 55.215 61.462 -6.247 1 1 216 . 7 1 1 A 62 62 ALA CB C 77 19.141 32.447 -13.306 1 1 217 . 7 1 1 A 62 62 ALA N N 77 119.890 124.564 -4.674 1 1 218 . 7 1 1 A 63 63 GLU H H 78 7.541 9.004 -1.463 1 1 219 . 7 1 1 A 63 63 GLU CA C 78 55.965 52.002 3.963 1 1 220 . 7 1 1 A 63 63 GLU CB C 78 29.630 40.787 -11.157 1 1 221 . 7 1 1 A 63 63 GLU N N 78 111.511 125.678 -14.167 1 1 222 . 7 1 1 A 64 64 SER H H 79 6.861 8.860 -1.999 1 1 223 . 7 1 1 A 64 64 SER CA C 79 57.323 52.620 4.703 1 1 224 . 7 1 1 A 64 64 SER CB C 79 63.306 44.908 18.398 1 1 225 . 7 1 1 A 64 64 SER N N 79 111.856 122.059 -10.203 1 1 226 . 7 1 1 A 65 65 THR H H 80 9.169 8.740 0.429 1 1 227 . 7 1 1 A 65 65 THR CA C 80 65.335 55.857 9.478 1 1 228 . 7 1 1 A 65 65 THR CB C 80 68.216 29.931 38.285 1 1 229 . 7 1 1 A 65 65 THR N N 80 129.658 117.852 11.806 1 1 230 . 7 1 1 A 66 66 GLU H H 81 8.354 8.635 -0.281 1 1 231 . 7 1 1 A 66 66 GLU CA C 81 60.236 53.894 6.342 1 1 232 . 7 1 1 A 66 66 GLU CB C 81 30.136 41.260 -11.124 1 1 233 . 7 1 1 A 66 66 GLU N N 81 123.573 120.671 2.902 1 1 234 . 7 1 1 A 67 67 ILE H H 82 7.922 8.552 -0.630 1 1 235 . 7 1 1 A 67 67 ILE CA C 82 66.084 56.980 9.104 1 1 236 . 7 1 1 A 67 67 ILE CB C 82 37.806 31.383 6.423 1 1 237 . 7 1 1 A 67 67 ILE N N 82 119.503 120.084 -0.581 1 1 238 . 7 1 1 A 68 68 SER H H 83 7.214 8.083 -0.869 1 1 239 . 7 1 1 A 68 68 SER CA C 83 63.512 59.088 4.424 1 1 240 . 7 1 1 A 68 68 SER CB C 83 62.330 29.822 32.508 1 1 241 . 7 1 1 A 68 68 SER N N 83 112.464 120.397 -7.933 1 1 242 . 7 1 1 A 69 69 GLU H H 84 8.224 8.040 0.184 1 1 243 . 7 1 1 A 69 69 GLU CA C 84 59.597 57.094 2.503 1 1 244 . 7 1 1 A 69 69 GLU CB C 84 29.640 27.968 1.672 1 1 245 . 7 1 1 A 69 69 GLU N N 84 120.267 119.397 0.870 1 1 247 . 7 1 1 A 70 70 LEU CA C 85 57.423 63.047 -5.624 1 1 248 . 7 1 1 A 70 70 LEU CB C 85 42.942 32.504 10.438 1 1 249 . 7 1 1 A 70 70 LEU N N 85 119.797 137.897 -18.100 1 1 250 . 7 1 1 A 71 71 SER H H 86 8.580 8.442 0.138 1 1 251 . 7 1 1 A 71 71 SER CA C 86 62.310 55.759 6.551 1 1 252 . 7 1 1 A 71 71 SER CB C 86 62.306 31.451 30.855 1 1 253 . 7 1 1 A 71 71 SER N N 86 114.965 121.534 -6.569 1 1 254 . 7 1 1 A 72 72 HIS H H 87 7.189 8.023 -0.834 1 1 255 . 7 1 1 A 72 72 HIS CA C 87 57.593 52.970 4.623 1 1 256 . 7 1 1 A 72 72 HIS CB C 87 28.816 44.136 -15.320 1 1 257 . 7 1 1 A 72 72 HIS N N 87 119.159 121.356 -2.197 1 1 258 . 7 1 1 A 73 73 ASN H H 88 8.148 8.845 -0.697 1 1 261 . 7 1 1 A 73 73 ASN CA C 88 52.994 59.124 -6.130 1 1 262 . 7 1 1 A 73 73 ASN CB C 88 38.894 29.442 9.452 1 1 263 . 7 1 1 A 73 73 ASN N N 88 116.602 120.394 -3.792 1 1 265 . 7 1 1 A 74 74 PHE H H 89 7.623 8.092 -0.469 1 1 266 . 7 1 1 A 74 74 PHE CA C 89 56.882 56.673 0.209 1 1 267 . 7 1 1 A 74 74 PHE CB C 89 44.873 40.883 3.990 1 1 268 . 7 1 1 A 74 74 PHE N N 89 114.645 119.703 -5.058 1 1 269 . 7 1 1 A 75 75 VAL H H 90 8.952 7.532 1.420 1 1 270 . 7 1 1 A 75 75 VAL CA C 90 63.301 56.843 6.458 1 1 271 . 7 1 1 A 75 75 VAL CB C 90 31.213 40.230 -9.017 1 1 272 . 7 1 1 A 75 75 VAL N N 90 120.004 112.232 7.772 1 1 273 . 7 1 1 A 76 76 MET H H 91 7.486 7.230 0.256 1 1 274 . 7 1 1 A 76 76 MET CA C 91 53.528 55.293 -1.765 1 1 275 . 7 1 1 A 76 76 MET CB C 91 30.717 62.835 -32.118 1 1 276 . 7 1 1 A 76 76 MET N N 91 129.189 114.763 14.426 1 1 278 . 7 1 1 A 77 77 VAL CA C 92 60.953 65.327 -4.374 1 1 279 . 7 1 1 A 77 77 VAL CB C 92 37.090 31.818 5.272 1 1 280 . 7 1 1 A 77 77 VAL N N 92 122.955 140.501 -17.546 1 1 281 . 7 1 1 A 78 78 ASN H H 93 10.248 8.362 1.886 1 1 283 . 7 1 1 A 78 78 ASN CA C 93 52.125 53.473 -1.348 1 1 284 . 7 1 1 A 78 78 ASN CB C 93 41.857 40.671 1.186 1 1 285 . 7 1 1 A 78 78 ASN N N 93 126.507 115.170 11.337 1 1 287 . 7 1 1 A 79 79 LEU H H 94 9.104 8.050 1.054 1 1 288 . 7 1 1 A 79 79 LEU CA C 94 52.410 44.925 7.485 1 1 290 . 7 1 1 A 79 79 LEU N N 94 123.073 110.300 12.773 1 1 291 . 7 1 1 A 80 80 GLU H H 95 9.161 8.519 0.642 1 1 292 . 7 1 1 A 80 80 GLU CA C 95 53.391 45.030 8.361 1 1 294 . 7 1 1 A 80 80 GLU N N 95 125.765 108.025 17.740 1 1 295 . 7 1 1 A 81 81 ASP H H 96 8.107 7.668 0.439 1 1 296 . 7 1 1 A 81 81 ASP CA C 96 57.563 57.938 -0.375 1 1 297 . 7 1 1 A 81 81 ASP CB C 96 38.605 39.517 -0.912 1 1 298 . 7 1 1 A 81 81 ASP N N 96 126.380 118.998 7.382 1 1 299 . 7 1 1 A 82 82 GLU H H 97 8.836 8.773 0.063 1 1 300 . 7 1 1 A 82 82 GLU CA C 97 58.555 57.404 1.151 1 1 301 . 7 1 1 A 82 82 GLU CB C 97 28.422 41.230 -12.808 1 1 302 . 7 1 1 A 82 82 GLU N N 97 123.966 114.100 9.866 1 1 304 . 7 1 1 A 83 83 GLU CA C 98 56.619 62.454 -5.835 1 1 305 . 7 1 1 A 83 83 GLU CB C 98 30.722 32.980 -2.258 1 1 306 . 7 1 1 A 83 83 GLU N N 98 118.069 142.099 -24.030 1 1 307 . 7 1 1 A 84 84 GLU H H 99 7.298 8.262 -0.964 1 1 308 . 7 1 1 A 84 84 GLU CA C 99 54.482 54.482 0.000 1 1 309 . 7 1 1 A 84 84 GLU CB C 99 29.535 34.084 -4.549 1 1 310 . 7 1 1 A 84 84 GLU N N 99 119.571 122.359 -2.788 1 1 311 . 7 1 1 A 85 85 PRO CA C 100 62.512 60.470 2.042 1 1 312 . 7 1 1 A 85 85 PRO CB C 100 32.805 39.442 -6.637 1 1 313 . 7 1 1 A 86 86 LYS H H 101 8.640 8.627 0.013 1 1 314 . 7 1 1 A 86 86 LYS CA C 101 55.615 54.124 1.491 1 1 315 . 7 1 1 A 86 86 LYS CB C 101 31.117 44.429 -13.312 1 1 316 . 7 1 1 A 86 86 LYS N N 101 122.999 123.359 -0.360 1 1 317 . 7 1 1 A 87 87 ASP H H 102 7.395 8.697 -1.302 1 1 318 . 7 1 1 A 87 87 ASP CA C 102 54.233 56.763 -2.530 1 1 319 . 7 1 1 A 87 87 ASP CB C 102 42.084 41.558 0.526 1 1 320 . 7 1 1 A 87 87 ASP N N 102 119.006 119.597 -0.591 1 1 321 . 7 1 1 A 88 88 GLU H H 103 9.217 8.390 0.827 1 1 322 . 7 1 1 A 88 88 GLU CA C 103 58.996 53.512 5.484 1 1 323 . 7 1 1 A 88 88 GLU CB C 103 29.226 45.316 -16.090 1 1 324 . 7 1 1 A 88 88 GLU N N 103 127.412 122.547 4.865 1 1 325 . 7 1 1 A 89 89 ASP H H 104 9.043 8.286 0.757 1 1 326 . 7 1 1 A 89 89 ASP CA C 104 56.138 52.416 3.722 1 1 327 . 7 1 1 A 89 89 ASP CB C 104 39.487 40.840 -1.353 1 1 328 . 7 1 1 A 89 89 ASP N N 104 121.056 120.154 0.902 1 1 330 . 7 1 1 A 90 90 PHE CA C 105 58.124 63.626 -5.502 1 1 331 . 7 1 1 A 90 90 PHE CB C 105 38.909 31.218 7.691 1 1 332 . 7 1 1 A 90 90 PHE N N 105 111.473 137.750 -26.277 1 1 333 . 7 1 1 A 91 91 SER H H 106 7.907 8.472 -0.565 1 1 334 . 7 1 1 A 91 91 SER CA C 106 55.565 58.496 -2.931 1 1 335 . 7 1 1 A 91 91 SER CB C 106 63.139 65.680 -2.541 1 1 336 . 7 1 1 A 91 91 SER N N 106 115.544 118.746 -3.202 1 1 337 . 7 1 1 A 92 92 PRO CA C 107 65.329 45.553 19.776 1 1 339 . 7 1 1 A 93 93 ASP H H 108 9.095 7.499 1.596 1 1 340 . 7 1 1 A 93 93 ASP CA C 108 52.726 54.819 -2.093 1 1 341 . 7 1 1 A 93 93 ASP CB C 108 40.551 33.045 7.506 1 1 342 . 7 1 1 A 93 93 ASP N N 108 115.482 120.066 -4.584 1 1 343 . 7 1 1 A 94 94 GLY H H 109 6.947 8.312 -1.365 1 1 344 . 7 1 1 A 94 94 GLY CA C 109 44.385 62.879 -18.494 1 1 345 . 7 1 1 A 94 94 GLY N N 109 106.691 125.867 -19.176 1 1 346 . 7 1 1 A 95 95 GLY H H 110 8.423 8.282 0.141 1 1 347 . 7 1 1 A 95 95 GLY CA C 110 45.873 53.647 -7.774 1 1 348 . 7 1 1 A 95 95 GLY N N 110 107.178 127.303 -20.125 1 1 350 . 7 1 1 A 96 96 TYR CA C 111 55.619 63.334 -7.715 1 1 351 . 7 1 1 A 96 96 TYR CB C 111 38.312 30.140 8.172 1 1 352 . 7 1 1 A 96 96 TYR N N 111 116.246 139.977 -23.731 1 1 353 . 7 1 1 A 97 97 ILE H H 112 7.878 10.088 -2.210 1 1 354 . 7 1 1 A 97 97 ILE CA C 112 58.650 57.947 0.703 1 1 355 . 7 1 1 A 97 97 ILE N N 112 113.713 119.756 -6.043 1 1 356 . 7 1 1 A 98 98 PRO CA C 113 62.337 61.513 0.824 1 1 357 . 7 1 1 A 98 98 PRO CB C 113 34.315 35.961 -1.646 1 1 358 . 7 1 1 A 99 99 ARG H H 114 8.514 7.841 0.673 1 1 359 . 7 1 1 A 99 99 ARG CA C 114 54.460 59.143 -4.683 1 1 360 . 7 1 1 A 99 99 ARG CB C 114 34.399 38.913 -4.514 1 1 361 . 7 1 1 A 99 99 ARG N N 114 117.550 123.547 -5.997 1 1 362 . 7 1 1 A 100 100 ILE H H 115 8.819 8.700 0.119 1 1 363 . 7 1 1 A 100 100 ILE CA C 115 60.937 56.285 4.652 1 1 364 . 7 1 1 A 100 100 ILE CB C 115 39.021 38.053 0.968 1 1 365 . 7 1 1 A 100 100 ILE N N 115 122.056 120.392 1.664 1 1 366 . 7 1 1 A 101 101 LEU H H 116 8.692 7.855 0.837 1 1 367 . 7 1 1 A 101 101 LEU CA C 116 52.377 59.309 -6.932 1 1 368 . 7 1 1 A 101 101 LEU CB C 116 46.493 28.213 18.280 1 1 369 . 7 1 1 A 101 101 LEU N N 116 127.243 118.138 9.105 1 1 370 . 7 1 1 A 102 102 PHE H H 117 9.004 8.650 0.354 1 1 371 . 7 1 1 A 102 102 PHE CA C 117 57.076 55.975 1.101 1 1 372 . 7 1 1 A 102 102 PHE CB C 117 42.048 37.927 4.121 1 1 373 . 7 1 1 A 102 102 PHE N N 117 116.784 117.706 -0.922 1 1 374 . 7 1 1 A 103 103 LEU H H 118 9.303 7.822 1.481 1 1 375 . 7 1 1 A 103 103 LEU CA C 118 53.487 44.181 9.306 1 1 377 . 7 1 1 A 103 103 LEU N N 118 124.741 107.691 17.050 1 1 378 . 7 1 1 A 104 104 ASP H H 119 8.351 8.449 -0.098 1 1 379 . 7 1 1 A 104 104 ASP CA C 119 52.555 51.782 0.773 1 1 380 . 7 1 1 A 104 104 ASP CB C 119 39.406 38.234 1.172 1 1 381 . 7 1 1 A 104 104 ASP N N 119 117.539 117.492 0.047 1 1 382 . 7 1 1 A 105 105 PRO CA C 120 65.106 62.539 2.567 1 1 383 . 7 1 1 A 105 105 PRO CB C 120 31.459 29.256 2.203 1 1 384 . 7 1 1 A 106 106 SER H H 121 8.229 8.660 -0.431 1 1 385 . 7 1 1 A 106 106 SER CA C 121 58.891 58.882 0.009 1 1 386 . 7 1 1 A 106 106 SER CB C 121 64.061 65.778 -1.717 1 1 387 . 7 1 1 A 106 106 SER N N 121 111.546 116.257 -4.711 1 1 388 . 7 1 1 A 107 107 GLY H H 122 8.970 7.906 1.064 1 1 389 . 7 1 1 A 107 107 GLY CA C 122 45.417 61.393 -15.976 1 1 390 . 7 1 1 A 107 107 GLY N N 122 111.616 120.939 -9.323 1 1 391 . 7 1 1 A 108 108 LYS H H 123 7.405 7.477 -0.072 1 1 392 . 7 1 1 A 108 108 LYS CA C 123 54.729 58.540 -3.811 1 1 393 . 7 1 1 A 108 108 LYS CB C 123 32.929 31.072 1.857 1 1 394 . 7 1 1 A 108 108 LYS N N 123 120.930 117.447 3.483 1 1 395 . 7 1 1 A 109 109 VAL H H 124 8.875 8.727 0.148 1 1 396 . 7 1 1 A 109 109 VAL CA C 124 64.103 60.768 3.335 1 1 397 . 7 1 1 A 109 109 VAL CB C 124 32.249 38.428 -6.179 1 1 398 . 7 1 1 A 109 109 VAL N N 124 126.925 121.613 5.312 1 1 399 . 7 1 1 A 110 110 HIS H H 125 8.911 7.948 0.963 1 1 400 . 7 1 1 A 110 110 HIS CA C 125 54.469 57.073 -2.604 1 1 401 . 7 1 1 A 110 110 HIS CB C 125 28.893 39.093 -10.200 1 1 402 . 7 1 1 A 110 110 HIS N N 125 127.112 121.782 5.330 1 1 403 . 7 1 1 A 111 111 PRO CA C 126 63.311 56.595 6.716 1 1 404 . 7 1 1 A 111 111 PRO CB C 126 32.232 41.819 -9.587 1 1 405 . 7 1 1 A 112 112 GLU H H 127 10.959 8.462 2.497 1 1 406 . 7 1 1 A 112 112 GLU CA C 127 57.439 60.908 -3.469 1 1 407 . 7 1 1 A 112 112 GLU CB C 127 27.174 31.497 -4.323 1 1 408 . 7 1 1 A 112 112 GLU N N 127 123.144 118.846 4.298 1 1 409 . 7 1 1 A 113 113 ILE H H 128 7.493 7.615 -0.122 1 1 410 . 7 1 1 A 113 113 ILE CA C 128 61.518 57.720 3.798 1 1 411 . 7 1 1 A 113 113 ILE CB C 128 35.365 65.664 -30.299 1 1 412 . 7 1 1 A 113 113 ILE N N 128 123.479 113.425 10.054 1 1 413 . 7 1 1 A 114 114 ILE H H 129 8.300 9.176 -0.876 1 1 414 . 7 1 1 A 114 114 ILE CA C 129 59.109 55.236 3.873 1 1 415 . 7 1 1 A 114 114 ILE CB C 129 42.309 18.560 23.749 1 1 416 . 7 1 1 A 114 114 ILE N N 129 123.439 126.926 -3.487 1 1 417 . 7 1 1 A 115 115 ASN H H 130 8.622 8.500 0.122 1 1 420 . 7 1 1 A 115 115 ASN CA C 130 51.381 59.231 -7.850 1 1 421 . 7 1 1 A 115 115 ASN CB C 130 35.215 29.215 6.000 1 1 422 . 7 1 1 A 115 115 ASN N N 130 114.712 116.627 -1.915 1 1 424 . 7 1 1 A 116 116 GLU H H 131 8.463 7.915 0.548 1 1 425 . 7 1 1 A 116 116 GLU CA C 131 58.882 58.307 0.575 1 1 426 . 7 1 1 A 116 116 GLU CB C 131 29.606 28.917 0.689 1 1 427 . 7 1 1 A 116 116 GLU N N 131 127.900 117.465 10.435 1 1 428 . 7 1 1 A 117 117 ASN H H 132 7.545 7.651 -0.106 1 1 431 . 7 1 1 A 117 117 ASN CA C 132 52.960 65.746 -12.786 1 1 432 . 7 1 1 A 117 117 ASN CB C 132 39.777 31.480 8.297 1 1 433 . 7 1 1 A 117 117 ASN N N 132 113.958 116.417 -2.459 1 1 435 . 7 1 1 A 118 118 GLY H H 133 7.109 8.104 -0.995 1 1 436 . 7 1 1 A 118 118 GLY CA C 133 44.662 65.037 -20.375 1 1 437 . 7 1 1 A 118 118 GLY N N 133 107.288 122.386 -15.098 1 1 438 . 7 1 1 A 119 119 ASN H H 134 8.795 8.403 0.392 1 1 441 . 7 1 1 A 119 119 ASN CA C 134 50.277 58.387 -8.110 1 1 442 . 7 1 1 A 119 119 ASN CB C 134 40.102 27.918 12.184 1 1 443 . 7 1 1 A 119 119 ASN N N 134 122.889 119.773 3.116 1 1 445 . 7 1 1 A 120 120 PRO CA C 135 64.320 46.514 17.806 1 1 447 . 7 1 1 A 121 121 SER H H 136 8.260 7.812 0.448 1 1 448 . 7 1 1 A 121 121 SER CA C 136 60.199 57.660 2.539 1 1 449 . 7 1 1 A 121 121 SER CB C 136 63.228 33.543 29.685 1 1 450 . 7 1 1 A 121 121 SER N N 136 113.554 117.624 -4.070 1 1 451 . 7 1 1 A 122 122 TYR H H 137 7.580 8.729 -1.149 1 1 452 . 7 1 1 A 122 122 TYR CA C 137 54.584 58.386 -3.802 1 1 453 . 7 1 1 A 122 122 TYR CB C 137 38.872 31.347 7.525 1 1 454 . 7 1 1 A 122 122 TYR N N 137 119.864 119.189 0.675 1 1 455 . 7 1 1 A 123 123 LYS H H 138 9.556 7.993 1.563 1 1 456 . 7 1 1 A 123 123 LYS CA C 138 60.415 58.485 1.930 1 1 457 . 7 1 1 A 123 123 LYS CB C 138 31.945 30.456 1.489 1 1 458 . 7 1 1 A 123 123 LYS N N 138 123.955 119.892 4.063 1 1 459 . 7 1 1 A 124 124 TYR H H 139 8.486 7.594 0.892 1 1 460 . 7 1 1 A 124 124 TYR CA C 139 56.009 54.075 1.934 1 1 461 . 7 1 1 A 124 124 TYR CB C 139 37.666 18.518 19.148 1 1 462 . 7 1 1 A 124 124 TYR N N 139 113.738 121.857 -8.119 1 1 463 . 7 1 1 A 125 125 PHE H H 140 7.562 8.131 -0.569 1 1 464 . 7 1 1 A 125 125 PHE CA C 140 56.561 58.145 -1.584 1 1 465 . 7 1 1 A 125 125 PHE CB C 140 40.897 27.837 13.060 1 1 466 . 7 1 1 A 125 125 PHE N N 140 122.592 117.088 5.504 1 1 467 . 7 1 1 A 126 126 TYR H H 141 8.133 7.780 0.353 1 1 468 . 7 1 1 A 126 126 TYR CA C 141 57.326 59.043 -1.717 1 1 469 . 7 1 1 A 126 126 TYR CB C 141 41.768 29.969 11.799 1 1 470 . 7 1 1 A 126 126 TYR N N 141 129.225 118.373 10.852 1 1 471 . 7 1 1 A 127 127 VAL H H 142 8.081 8.056 0.025 1 1 472 . 7 1 1 A 127 127 VAL CA C 142 61.414 59.031 2.383 1 1 473 . 7 1 1 A 127 127 VAL CB C 142 34.245 30.104 4.141 1 1 474 . 7 1 1 A 127 127 VAL N N 142 112.892 119.376 -6.484 1 1 475 . 7 1 1 A 128 128 SER H H 143 7.362 8.067 -0.705 1 1 476 . 7 1 1 A 128 128 SER CA C 143 55.028 57.750 -2.722 1 1 477 . 7 1 1 A 128 128 SER CB C 143 67.261 41.464 25.797 1 1 478 . 7 1 1 A 128 128 SER N N 143 112.848 121.755 -8.907 1 1 479 . 7 1 1 A 129 129 ALA H H 144 9.331 7.693 1.638 1 1 480 . 7 1 1 A 129 129 ALA CA C 144 55.568 62.166 -6.598 1 1 481 . 7 1 1 A 129 129 ALA CB C 144 18.005 69.124 -51.119 1 1 482 . 7 1 1 A 129 129 ALA N N 144 124.250 108.074 16.176 1 1 483 . 7 1 1 A 130 130 GLU H H 145 9.152 8.949 0.203 1 1 484 . 7 1 1 A 130 130 GLU CA C 145 60.626 46.150 14.476 1 1 486 . 7 1 1 A 130 130 GLU N N 145 116.980 114.237 2.743 1 1 487 . 7 1 1 A 131 131 GLN H H 146 7.621 8.658 -1.037 1 1 490 . 7 1 1 A 131 131 GLN CA C 146 58.552 55.640 2.912 1 1 491 . 7 1 1 A 131 131 GLN CB C 146 29.038 40.028 -10.990 1 1 492 . 7 1 1 A 131 131 GLN N N 146 117.565 113.517 4.048 1 1 494 . 7 1 1 A 132 132 VAL H H 147 7.780 7.583 0.197 1 1 495 . 7 1 1 A 132 132 VAL CA C 147 66.928 54.678 12.250 1 1 496 . 7 1 1 A 132 132 VAL CB C 147 31.324 18.476 12.848 1 1 497 . 7 1 1 A 132 132 VAL N N 147 121.486 119.998 1.488 1 1 498 . 7 1 1 A 133 133 VAL H H 148 8.609 8.275 0.334 1 1 499 . 7 1 1 A 133 133 VAL CA C 148 67.053 60.251 6.802 1 1 500 . 7 1 1 A 133 133 VAL CB C 148 31.927 37.598 -5.671 1 1 501 . 7 1 1 A 133 133 VAL N N 148 119.560 114.159 5.401 1 1 502 . 7 1 1 A 134 134 GLN H H 149 7.365 6.992 0.373 1 1 505 . 7 1 1 A 134 134 GLN CA C 149 59.382 55.735 3.647 1 1 506 . 7 1 1 A 134 134 GLN CB C 149 27.860 31.160 -3.300 1 1 507 . 7 1 1 A 134 134 GLN N N 149 117.080 120.888 -3.808 1 1 509 . 7 1 1 A 135 135 GLY H H 150 8.085 8.436 -0.351 1 1 510 . 7 1 1 A 135 135 GLY CA C 150 47.499 54.508 -7.009 1 1 511 . 7 1 1 A 135 135 GLY N N 150 107.849 122.406 -14.557 1 1 512 . 7 1 1 A 136 136 MET H H 151 8.593 9.444 -0.851 1 1 513 . 7 1 1 A 136 136 MET CA C 151 59.730 58.475 1.255 1 1 514 . 7 1 1 A 136 136 MET CB C 151 35.435 31.344 4.091 1 1 515 . 7 1 1 A 136 136 MET N N 151 119.390 127.141 -7.751 1 1 516 . 7 1 1 A 137 137 LYS H H 152 8.591 8.883 -0.292 1 1 517 . 7 1 1 A 137 137 LYS CA C 152 60.659 59.116 1.543 1 1 518 . 7 1 1 A 137 137 LYS CB C 152 32.617 27.789 4.828 1 1 519 . 7 1 1 A 137 137 LYS N N 152 119.226 115.980 3.246 1 1 520 . 7 1 1 A 138 138 GLU H H 153 7.870 8.572 -0.702 1 1 521 . 7 1 1 A 138 138 GLU CA C 153 59.134 55.942 3.192 1 1 522 . 7 1 1 A 138 138 GLU CB C 153 28.879 41.023 -12.144 1 1 523 . 7 1 1 A 138 138 GLU N N 153 120.709 117.510 3.199 1 1 524 . 7 1 1 A 139 139 ALA H H 154 8.493 8.769 -0.276 1 1 525 . 7 1 1 A 139 139 ALA CA C 154 55.450 56.608 -1.158 1 1 526 . 7 1 1 A 139 139 ALA CB C 154 18.695 31.863 -13.168 1 1 527 . 7 1 1 A 139 139 ALA N N 154 120.598 124.140 -3.542 1 1 528 . 7 1 1 A 140 140 GLN H H 155 8.582 8.064 0.518 1 1 531 . 7 1 1 A 140 140 GLN CA C 155 59.239 56.583 2.656 1 1 532 . 7 1 1 A 140 140 GLN CB C 155 28.027 39.727 -11.700 1 1 533 . 7 1 1 A 140 140 GLN N N 155 116.438 118.654 -2.216 1 1 535 . 7 1 1 A 141 141 GLU H H 156 7.563 8.555 -0.992 1 1 536 . 7 1 1 A 141 141 GLU CA C 156 58.896 56.642 2.254 1 1 537 . 7 1 1 A 141 141 GLU CB C 156 29.885 30.745 -0.860 1 1 538 . 7 1 1 A 141 141 GLU N N 156 118.759 121.457 -2.698 1 1 1 . 8 1 1 A 7 7 HIS CA C 22 56.307 54.040 2.267 1 1 2 . 8 1 1 A 7 7 HIS CB C 22 30.341 31.156 -0.815 1 1 3 . 8 1 1 A 8 8 MET H H 23 8.449 8.023 0.426 1 1 4 . 8 1 1 A 8 8 MET CA C 23 55.742 61.632 -5.890 1 1 5 . 8 1 1 A 8 8 MET CB C 23 32.842 39.030 -6.188 1 1 6 . 8 1 1 A 8 8 MET N N 23 122.176 122.856 -0.680 1 1 7 . 8 1 1 A 9 9 SER H H 24 8.428 6.210 2.218 1 1 8 . 8 1 1 A 9 9 SER CA C 24 58.412 54.893 3.519 1 1 9 . 8 1 1 A 9 9 SER CB C 24 63.900 28.455 35.445 1 1 10 . 8 1 1 A 9 9 SER N N 24 116.789 117.041 -0.252 1 1 11 . 8 1 1 A 10 10 ASP H H 25 8.382 7.099 1.283 1 1 12 . 8 1 1 A 10 10 ASP CA C 25 54.487 56.564 -2.077 1 1 13 . 8 1 1 A 10 10 ASP CB C 25 41.285 31.649 9.636 1 1 14 . 8 1 1 A 10 10 ASP N N 25 122.384 118.163 4.221 1 1 15 . 8 1 1 A 11 11 GLY H H 26 8.363 7.834 0.529 1 1 16 . 8 1 1 A 11 11 GLY CA C 26 45.546 58.617 -13.071 1 1 17 . 8 1 1 A 11 11 GLY N N 26 108.671 121.506 -12.835 1 1 18 . 8 1 1 A 12 12 HIS H H 27 8.350 7.550 0.800 1 1 19 . 8 1 1 A 12 12 HIS CA C 27 56.103 61.138 -5.035 1 1 20 . 8 1 1 A 12 12 HIS CB C 27 29.813 70.609 -40.796 1 1 21 . 8 1 1 A 12 12 HIS N N 27 118.814 107.199 11.615 1 1 22 . 8 1 1 A 13 13 ASN H H 28 8.505 8.670 -0.165 1 1 25 . 8 1 1 A 13 13 ASN CA C 28 53.482 58.200 -4.718 1 1 26 . 8 1 1 A 13 13 ASN CB C 28 39.386 41.675 -2.289 1 1 27 . 8 1 1 A 13 13 ASN N N 28 119.523 123.903 -4.380 1 1 29 . 8 1 1 A 14 14 GLY H H 29 8.743 8.394 0.349 1 1 30 . 8 1 1 A 14 14 GLY CA C 29 45.534 59.808 -14.274 1 1 31 . 8 1 1 A 14 14 GLY N N 29 110.136 119.237 -9.101 1 1 32 . 8 1 1 A 15 15 LEU H H 30 8.466 8.451 0.015 1 1 33 . 8 1 1 A 15 15 LEU CA C 30 56.146 57.275 -1.129 1 1 34 . 8 1 1 A 15 15 LEU CB C 30 42.864 40.178 2.686 1 1 35 . 8 1 1 A 15 15 LEU N N 30 120.511 120.778 -0.267 1 1 36 . 8 1 1 A 16 16 GLY H H 31 8.886 8.018 0.868 1 1 37 . 8 1 1 A 16 16 GLY CA C 31 47.064 47.278 -0.214 1 1 38 . 8 1 1 A 16 16 GLY N N 31 108.073 108.507 -0.434 1 1 39 . 8 1 1 A 17 17 LYS H H 32 7.854 7.868 -0.014 1 1 40 . 8 1 1 A 17 17 LYS CA C 32 55.661 59.081 -3.420 1 1 41 . 8 1 1 A 17 17 LYS CB C 32 29.379 32.192 -2.813 1 1 42 . 8 1 1 A 17 17 LYS N N 32 110.952 121.882 -10.930 1 1 43 . 8 1 1 A 18 18 GLY H H 33 8.095 7.748 0.347 1 1 44 . 8 1 1 A 18 18 GLY CA C 33 44.893 59.929 -15.036 1 1 45 . 8 1 1 A 18 18 GLY N N 33 103.957 118.741 -14.784 1 1 46 . 8 1 1 A 19 19 PHE H H 34 7.887 8.063 -0.176 1 1 47 . 8 1 1 A 19 19 PHE CA C 34 61.146 59.031 2.115 1 1 48 . 8 1 1 A 19 19 PHE CB C 34 38.963 29.194 9.769 1 1 49 . 8 1 1 A 19 19 PHE N N 34 117.883 118.985 -1.102 1 1 50 . 8 1 1 A 20 20 GLY H H 35 7.696 8.263 -0.567 1 1 51 . 8 1 1 A 20 20 GLY CA C 35 45.189 54.846 -9.657 1 1 52 . 8 1 1 A 20 20 GLY N N 35 102.668 121.095 -18.427 1 1 53 . 8 1 1 A 21 21 ASP H H 36 9.284 7.688 1.596 1 1 54 . 8 1 1 A 21 21 ASP CA C 36 56.026 54.990 1.036 1 1 55 . 8 1 1 A 21 21 ASP CB C 36 40.543 18.459 22.084 1 1 56 . 8 1 1 A 21 21 ASP N N 36 129.289 120.298 8.991 1 1 57 . 8 1 1 A 22 22 HIS H H 37 9.058 8.137 0.921 1 1 58 . 8 1 1 A 22 22 HIS CA C 37 56.628 55.122 1.506 1 1 59 . 8 1 1 A 22 22 HIS CB C 37 29.941 18.746 11.195 1 1 60 . 8 1 1 A 22 22 HIS N N 37 116.742 120.443 -3.701 1 1 61 . 8 1 1 A 23 23 ILE H H 38 6.449 7.714 -1.265 1 1 62 . 8 1 1 A 23 23 ILE CA C 38 59.183 59.611 -0.428 1 1 63 . 8 1 1 A 23 23 ILE CB C 38 39.408 63.353 -23.945 1 1 64 . 8 1 1 A 23 23 ILE N N 38 124.704 112.601 12.103 1 1 65 . 8 1 1 A 24 24 HIS H H 39 7.857 8.617 -0.760 1 1 66 . 8 1 1 A 24 24 HIS CA C 39 52.931 46.761 6.170 1 1 68 . 8 1 1 A 24 24 HIS N N 39 124.600 109.735 14.865 1 1 69 . 8 1 1 A 25 25 TRP H H 40 8.032 7.286 0.746 1 1 71 . 8 1 1 A 25 25 TRP CA C 40 57.058 51.033 6.025 1 1 72 . 8 1 1 A 25 25 TRP CB C 40 30.411 44.204 -13.793 1 1 73 . 8 1 1 A 25 25 TRP N N 40 130.002 114.057 15.945 1 1 76 . 8 1 1 A 26 26 ARG CA C 41 54.500 62.364 -7.864 1 1 77 . 8 1 1 A 26 26 ARG CB C 41 35.055 33.111 1.944 1 1 78 . 8 1 1 A 26 26 ARG N N 41 122.005 135.073 -13.068 1 1 79 . 8 1 1 A 27 27 THR H H 42 8.562 8.131 0.431 1 1 80 . 8 1 1 A 27 27 THR CA C 42 61.294 52.800 8.494 1 1 81 . 8 1 1 A 27 27 THR CB C 42 70.325 44.827 25.498 1 1 82 . 8 1 1 A 27 27 THR N N 42 111.261 117.460 -6.199 1 1 83 . 8 1 1 A 28 28 LEU H H 43 8.994 8.748 0.246 1 1 84 . 8 1 1 A 28 28 LEU CA C 43 59.121 53.420 5.701 1 1 85 . 8 1 1 A 28 28 LEU CB C 43 41.515 32.673 8.842 1 1 86 . 8 1 1 A 28 28 LEU N N 43 121.976 121.000 0.976 1 1 87 . 8 1 1 A 29 29 GLU H H 44 8.759 8.314 0.445 1 1 88 . 8 1 1 A 29 29 GLU CA C 44 59.928 62.361 -2.433 1 1 89 . 8 1 1 A 29 29 GLU CB C 44 29.342 30.144 -0.802 1 1 90 . 8 1 1 A 29 29 GLU N N 44 116.492 126.045 -9.553 1 1 91 . 8 1 1 A 30 30 ASP H H 45 7.692 7.819 -0.127 1 1 92 . 8 1 1 A 30 30 ASP CA C 45 57.131 60.297 -3.166 1 1 93 . 8 1 1 A 30 30 ASP CB C 45 40.093 38.920 1.173 1 1 94 . 8 1 1 A 30 30 ASP N N 45 119.105 122.686 -3.581 1 1 95 . 8 1 1 A 31 31 GLY H H 46 9.224 9.125 0.099 1 1 96 . 8 1 1 A 31 31 GLY CA C 46 47.426 60.289 -12.863 1 1 97 . 8 1 1 A 31 31 GLY N N 46 111.508 128.866 -17.358 1 1 98 . 8 1 1 A 32 32 LYS H H 47 8.691 8.861 -0.170 1 1 99 . 8 1 1 A 32 32 LYS CA C 47 60.968 54.322 6.646 1 1 100 . 8 1 1 A 32 32 LYS CB C 47 32.534 30.891 1.643 1 1 101 . 8 1 1 A 32 32 LYS N N 47 121.519 125.776 -4.257 1 1 102 . 8 1 1 A 33 33 LYS H H 48 7.234 8.638 -1.404 1 1 103 . 8 1 1 A 33 33 LYS CA C 48 59.734 54.871 4.863 1 1 104 . 8 1 1 A 33 33 LYS CB C 48 32.349 34.194 -1.845 1 1 105 . 8 1 1 A 33 33 LYS N N 48 119.937 123.973 -4.036 1 1 106 . 8 1 1 A 34 34 GLU H H 49 8.179 8.695 -0.516 1 1 107 . 8 1 1 A 34 34 GLU CA C 49 58.911 58.757 0.154 1 1 108 . 8 1 1 A 34 34 GLU CB C 49 29.393 62.881 -33.488 1 1 109 . 8 1 1 A 34 34 GLU N N 49 121.748 116.339 5.409 1 1 110 . 8 1 1 A 35 35 ALA H H 50 9.142 7.841 1.301 1 1 111 . 8 1 1 A 35 35 ALA CA C 50 56.068 58.834 -2.766 1 1 112 . 8 1 1 A 35 35 ALA CB C 50 19.504 29.839 -10.335 1 1 113 . 8 1 1 A 35 35 ALA N N 50 125.093 122.548 2.545 1 1 114 . 8 1 1 A 36 36 ALA H H 51 7.548 8.510 -0.962 1 1 115 . 8 1 1 A 36 36 ALA CA C 51 54.765 57.123 -2.358 1 1 116 . 8 1 1 A 36 36 ALA CB C 51 18.095 30.779 -12.684 1 1 117 . 8 1 1 A 36 36 ALA N N 51 118.057 124.271 -6.214 1 1 118 . 8 1 1 A 37 37 ALA H H 52 7.517 8.545 -1.028 1 1 119 . 8 1 1 A 37 37 ALA CA C 52 54.200 46.332 7.868 1 1 121 . 8 1 1 A 37 37 ALA N N 52 118.541 114.620 3.921 1 1 122 . 8 1 1 A 38 38 SER H H 53 8.330 8.294 0.036 1 1 123 . 8 1 1 A 38 38 SER CA C 53 59.095 54.642 4.453 1 1 124 . 8 1 1 A 38 38 SER CB C 53 65.540 18.471 47.069 1 1 125 . 8 1 1 A 38 38 SER N N 53 110.905 124.403 -13.498 1 1 126 . 8 1 1 A 39 39 GLY H H 54 8.454 7.558 0.896 1 1 127 . 8 1 1 A 39 39 GLY CA C 54 46.559 61.233 -14.674 1 1 128 . 8 1 1 A 39 39 GLY N N 54 112.427 115.164 -2.737 1 1 129 . 8 1 1 A 40 40 LEU H H 55 7.580 7.939 -0.359 1 1 130 . 8 1 1 A 40 40 LEU CA C 55 51.891 59.445 -7.554 1 1 131 . 8 1 1 A 40 40 LEU CB C 55 43.061 32.285 10.776 1 1 132 . 8 1 1 A 40 40 LEU N N 55 121.312 121.506 -0.194 1 1 133 . 8 1 1 A 41 41 PRO CA C 56 61.426 54.280 7.146 1 1 134 . 8 1 1 A 41 41 PRO CB C 56 32.878 18.314 14.564 1 1 135 . 8 1 1 A 42 42 LEU H H 57 8.447 7.891 0.556 1 1 136 . 8 1 1 A 42 42 LEU CA C 57 55.025 56.682 -1.657 1 1 137 . 8 1 1 A 42 42 LEU CB C 57 44.360 41.578 2.782 1 1 138 . 8 1 1 A 42 42 LEU N N 57 116.186 118.512 -2.326 1 1 139 . 8 1 1 A 43 43 MET H H 58 8.610 7.925 0.685 1 1 140 . 8 1 1 A 43 43 MET CA C 58 54.951 61.458 -6.507 1 1 141 . 8 1 1 A 43 43 MET CB C 58 34.319 30.482 3.837 1 1 142 . 8 1 1 A 43 43 MET N N 58 124.827 121.071 3.756 1 1 144 . 8 1 1 A 44 44 VAL CA C 59 60.237 65.120 -4.883 1 1 145 . 8 1 1 A 44 44 VAL CB C 59 34.052 31.180 2.872 1 1 146 . 8 1 1 A 44 44 VAL N N 59 125.176 132.766 -7.590 1 1 147 . 8 1 1 A 45 45 ILE H H 60 8.512 7.489 1.023 1 1 148 . 8 1 1 A 45 45 ILE CA C 60 60.138 59.153 0.985 1 1 149 . 8 1 1 A 45 45 ILE CB C 60 40.622 32.651 7.971 1 1 150 . 8 1 1 A 45 45 ILE N N 60 125.614 118.930 6.684 1 1 151 . 8 1 1 A 46 46 ILE H H 61 9.528 8.748 0.780 1 1 152 . 8 1 1 A 46 46 ILE CA C 61 61.356 61.640 -0.284 1 1 153 . 8 1 1 A 46 46 ILE CB C 61 39.017 39.807 -0.790 1 1 154 . 8 1 1 A 46 46 ILE N N 61 130.237 120.602 9.635 1 1 155 . 8 1 1 A 47 47 HIS H H 62 8.926 8.368 0.558 1 1 156 . 8 1 1 A 47 47 HIS CA C 62 54.153 55.135 -0.982 1 1 157 . 8 1 1 A 47 47 HIS CB C 62 35.638 18.538 17.100 1 1 158 . 8 1 1 A 47 47 HIS N N 62 121.634 121.044 0.590 1 1 159 . 8 1 1 A 48 48 LYS H H 63 7.798 8.839 -1.041 1 1 160 . 8 1 1 A 48 48 LYS CA C 63 52.412 58.574 -6.162 1 1 161 . 8 1 1 A 48 48 LYS CB C 63 33.666 29.674 3.992 1 1 162 . 8 1 1 A 48 48 LYS N N 63 116.188 120.010 -3.822 1 1 163 . 8 1 1 A 49 49 SER H H 64 10.807 9.403 1.404 1 1 164 . 8 1 1 A 49 49 SER CA C 64 60.779 60.221 0.558 1 1 165 . 8 1 1 A 49 49 SER CB C 64 62.612 61.960 0.652 1 1 166 . 8 1 1 A 49 49 SER N N 64 121.963 115.609 6.354 1 1 167 . 8 1 1 A 50 50 TRP H H 65 6.564 7.690 -1.126 1 1 169 . 8 1 1 A 50 50 TRP CA C 65 54.246 66.386 -12.140 1 1 170 . 8 1 1 A 50 50 TRP CB C 65 29.500 68.987 -39.487 1 1 171 . 8 1 1 A 50 50 TRP N N 65 115.717 116.599 -0.882 1 1 173 . 8 1 1 A 51 51 CYS H H 66 6.689 7.435 -0.746 1 1 174 . 8 1 1 A 51 51 CYS CA C 66 60.195 58.879 1.316 1 1 175 . 8 1 1 A 51 51 CYS CB C 66 30.909 28.987 1.922 1 1 176 . 8 1 1 A 51 51 CYS N N 66 125.894 119.056 6.838 1 1 177 . 8 1 1 A 52 52 GLY H H 67 9.301 7.857 1.444 1 1 178 . 8 1 1 A 52 52 GLY CA C 67 47.510 63.524 -16.014 1 1 179 . 8 1 1 A 52 52 GLY N N 67 119.542 121.706 -2.164 1 1 180 . 8 1 1 A 53 53 ALA H H 68 9.861 8.194 1.667 1 1 181 . 8 1 1 A 53 53 ALA CA C 68 55.404 61.172 -5.768 1 1 182 . 8 1 1 A 53 53 ALA CB C 68 18.521 62.352 -43.831 1 1 183 . 8 1 1 A 53 53 ALA N N 68 133.080 115.714 17.366 1 1 184 . 8 1 1 A 54 54 CYS H H 69 9.891 7.902 1.989 1 1 185 . 8 1 1 A 54 54 CYS CA C 69 64.497 58.409 6.088 1 1 186 . 8 1 1 A 54 54 CYS CB C 69 29.057 30.339 -1.282 1 1 187 . 8 1 1 A 54 54 CYS N N 69 127.404 118.775 8.629 1 1 188 . 8 1 1 A 55 55 LYS H H 70 8.059 8.101 -0.042 1 1 189 . 8 1 1 A 55 55 LYS CA C 70 59.840 56.837 3.003 1 1 190 . 8 1 1 A 55 55 LYS CB C 70 32.942 41.654 -8.712 1 1 191 . 8 1 1 A 55 55 LYS N N 70 118.141 121.367 -3.226 1 1 192 . 8 1 1 A 56 56 ALA H H 71 7.517 7.676 -0.159 1 1 193 . 8 1 1 A 56 56 ALA CA C 71 53.989 60.616 -6.627 1 1 194 . 8 1 1 A 56 56 ALA CB C 71 18.501 63.280 -44.779 1 1 195 . 8 1 1 A 56 56 ALA N N 71 118.540 114.835 3.705 1 1 196 . 8 1 1 A 57 57 LEU H H 72 7.351 7.419 -0.068 1 1 197 . 8 1 1 A 57 57 LEU CA C 72 56.998 58.524 -1.526 1 1 198 . 8 1 1 A 57 57 LEU CB C 72 42.256 28.943 13.313 1 1 199 . 8 1 1 A 57 57 LEU N N 72 117.293 118.804 -1.511 1 1 200 . 8 1 1 A 58 58 LYS H H 73 7.101 7.844 -0.743 1 1 201 . 8 1 1 A 58 58 LYS CA C 73 62.302 53.568 8.734 1 1 202 . 8 1 1 A 58 58 LYS CB C 73 30.098 38.339 -8.241 1 1 203 . 8 1 1 A 58 58 LYS N N 73 115.956 113.714 2.242 1 1 204 . 8 1 1 A 59 59 PRO CA C 74 65.581 56.161 9.420 1 1 205 . 8 1 1 A 59 59 PRO CB C 74 30.726 41.581 -10.855 1 1 206 . 8 1 1 A 60 60 LYS H H 75 6.694 8.565 -1.871 1 1 207 . 8 1 1 A 60 60 LYS CA C 75 58.353 60.343 -1.990 1 1 208 . 8 1 1 A 60 60 LYS CB C 75 32.606 35.682 -3.076 1 1 209 . 8 1 1 A 60 60 LYS N N 75 115.897 119.728 -3.831 1 1 210 . 8 1 1 A 61 61 PHE H H 76 8.285 8.726 -0.441 1 1 211 . 8 1 1 A 61 61 PHE CA C 76 60.241 56.030 4.211 1 1 212 . 8 1 1 A 61 61 PHE CB C 76 41.785 32.693 9.092 1 1 213 . 8 1 1 A 61 61 PHE N N 76 120.489 126.750 -6.261 1 1 214 . 8 1 1 A 62 62 ALA H H 77 9.036 8.340 0.696 1 1 215 . 8 1 1 A 62 62 ALA CA C 77 55.215 61.353 -6.138 1 1 216 . 8 1 1 A 62 62 ALA CB C 77 19.141 32.480 -13.339 1 1 217 . 8 1 1 A 62 62 ALA N N 77 119.890 124.233 -4.343 1 1 218 . 8 1 1 A 63 63 GLU H H 78 7.541 8.809 -1.268 1 1 219 . 8 1 1 A 63 63 GLU CA C 78 55.965 52.373 3.592 1 1 220 . 8 1 1 A 63 63 GLU CB C 78 29.630 39.705 -10.075 1 1 221 . 8 1 1 A 63 63 GLU N N 78 111.511 125.356 -13.845 1 1 222 . 8 1 1 A 64 64 SER H H 79 6.861 9.016 -2.155 1 1 223 . 8 1 1 A 64 64 SER CA C 79 57.323 53.782 3.541 1 1 224 . 8 1 1 A 64 64 SER CB C 79 63.306 44.393 18.913 1 1 225 . 8 1 1 A 64 64 SER N N 79 111.856 128.653 -16.797 1 1 226 . 8 1 1 A 65 65 THR H H 80 9.169 8.841 0.328 1 1 227 . 8 1 1 A 65 65 THR CA C 80 65.335 55.454 9.881 1 1 228 . 8 1 1 A 65 65 THR CB C 80 68.216 29.604 38.612 1 1 229 . 8 1 1 A 65 65 THR N N 80 129.658 125.536 4.122 1 1 230 . 8 1 1 A 66 66 GLU H H 81 8.354 8.092 0.262 1 1 231 . 8 1 1 A 66 66 GLU CA C 81 60.236 53.808 6.428 1 1 232 . 8 1 1 A 66 66 GLU CB C 81 30.136 41.224 -11.088 1 1 233 . 8 1 1 A 66 66 GLU N N 81 123.573 120.276 3.297 1 1 234 . 8 1 1 A 67 67 ILE H H 82 7.922 8.354 -0.432 1 1 235 . 8 1 1 A 67 67 ILE CA C 82 66.084 59.411 6.673 1 1 236 . 8 1 1 A 67 67 ILE CB C 82 37.806 30.234 7.572 1 1 237 . 8 1 1 A 67 67 ILE N N 82 119.503 118.802 0.701 1 1 238 . 8 1 1 A 68 68 SER H H 83 7.214 7.804 -0.590 1 1 239 . 8 1 1 A 68 68 SER CA C 83 63.512 58.232 5.280 1 1 240 . 8 1 1 A 68 68 SER CB C 83 62.330 27.525 34.805 1 1 241 . 8 1 1 A 68 68 SER N N 83 112.464 114.777 -2.313 1 1 242 . 8 1 1 A 69 69 GLU H H 84 8.224 7.867 0.357 1 1 243 . 8 1 1 A 69 69 GLU CA C 84 59.597 53.956 5.641 1 1 244 . 8 1 1 A 69 69 GLU CB C 84 29.640 29.738 -0.098 1 1 245 . 8 1 1 A 69 69 GLU N N 84 120.267 120.310 -0.043 1 1 247 . 8 1 1 A 70 70 LEU CA C 85 57.423 63.459 -6.036 1 1 248 . 8 1 1 A 70 70 LEU CB C 85 42.942 32.410 10.532 1 1 249 . 8 1 1 A 70 70 LEU N N 85 119.797 137.880 -18.083 1 1 250 . 8 1 1 A 71 71 SER H H 86 8.580 7.972 0.608 1 1 251 . 8 1 1 A 71 71 SER CA C 86 62.310 57.353 4.957 1 1 252 . 8 1 1 A 71 71 SER CB C 86 62.306 31.092 31.214 1 1 253 . 8 1 1 A 71 71 SER N N 86 114.965 118.624 -3.659 1 1 254 . 8 1 1 A 72 72 HIS H H 87 7.189 7.947 -0.758 1 1 255 . 8 1 1 A 72 72 HIS CA C 87 57.593 53.872 3.721 1 1 256 . 8 1 1 A 72 72 HIS CB C 87 28.816 44.390 -15.574 1 1 257 . 8 1 1 A 72 72 HIS N N 87 119.159 119.329 -0.170 1 1 258 . 8 1 1 A 73 73 ASN H H 88 8.148 8.840 -0.692 1 1 261 . 8 1 1 A 73 73 ASN CA C 88 52.994 56.427 -3.433 1 1 262 . 8 1 1 A 73 73 ASN CB C 88 38.894 30.251 8.643 1 1 263 . 8 1 1 A 73 73 ASN N N 88 116.602 121.367 -4.765 1 1 265 . 8 1 1 A 74 74 PHE H H 89 7.623 8.000 -0.377 1 1 266 . 8 1 1 A 74 74 PHE CA C 89 56.882 56.726 0.156 1 1 267 . 8 1 1 A 74 74 PHE CB C 89 44.873 41.467 3.406 1 1 268 . 8 1 1 A 74 74 PHE N N 89 114.645 121.222 -6.577 1 1 269 . 8 1 1 A 75 75 VAL H H 90 8.952 8.126 0.826 1 1 270 . 8 1 1 A 75 75 VAL CA C 90 63.301 59.103 4.198 1 1 271 . 8 1 1 A 75 75 VAL CB C 90 31.213 38.134 -6.921 1 1 272 . 8 1 1 A 75 75 VAL N N 90 120.004 116.732 3.272 1 1 273 . 8 1 1 A 76 76 MET H H 91 7.486 7.959 -0.473 1 1 274 . 8 1 1 A 76 76 MET CA C 91 53.528 55.001 -1.473 1 1 275 . 8 1 1 A 76 76 MET CB C 91 30.717 62.564 -31.847 1 1 276 . 8 1 1 A 76 76 MET N N 91 129.189 114.755 14.434 1 1 278 . 8 1 1 A 77 77 VAL CA C 92 60.953 62.222 -1.269 1 1 279 . 8 1 1 A 77 77 VAL CB C 92 37.090 29.302 7.788 1 1 280 . 8 1 1 A 77 77 VAL N N 92 122.955 135.561 -12.606 1 1 281 . 8 1 1 A 78 78 ASN H H 93 10.248 7.926 2.322 1 1 283 . 8 1 1 A 78 78 ASN CA C 93 52.125 54.788 -2.663 1 1 284 . 8 1 1 A 78 78 ASN CB C 93 41.857 42.595 -0.738 1 1 285 . 8 1 1 A 78 78 ASN N N 93 126.507 119.165 7.342 1 1 287 . 8 1 1 A 79 79 LEU H H 94 9.104 8.066 1.038 1 1 288 . 8 1 1 A 79 79 LEU CA C 94 52.410 44.603 7.807 1 1 290 . 8 1 1 A 79 79 LEU N N 94 123.073 108.297 14.776 1 1 291 . 8 1 1 A 80 80 GLU H H 95 9.161 8.124 1.037 1 1 292 . 8 1 1 A 80 80 GLU CA C 95 53.391 45.157 8.234 1 1 294 . 8 1 1 A 80 80 GLU N N 95 125.765 110.695 15.070 1 1 295 . 8 1 1 A 81 81 ASP H H 96 8.107 7.641 0.466 1 1 296 . 8 1 1 A 81 81 ASP CA C 96 57.563 57.854 -0.291 1 1 297 . 8 1 1 A 81 81 ASP CB C 96 38.605 39.541 -0.936 1 1 298 . 8 1 1 A 81 81 ASP N N 96 126.380 118.713 7.667 1 1 299 . 8 1 1 A 82 82 GLU H H 97 8.836 8.867 -0.031 1 1 300 . 8 1 1 A 82 82 GLU CA C 97 58.555 57.766 0.789 1 1 301 . 8 1 1 A 82 82 GLU CB C 97 28.422 40.447 -12.025 1 1 302 . 8 1 1 A 82 82 GLU N N 97 123.966 114.631 9.335 1 1 304 . 8 1 1 A 83 83 GLU CA C 98 56.619 62.542 -5.923 1 1 305 . 8 1 1 A 83 83 GLU CB C 98 30.722 32.861 -2.139 1 1 306 . 8 1 1 A 83 83 GLU N N 98 118.069 144.149 -26.080 1 1 307 . 8 1 1 A 84 84 GLU H H 99 7.298 8.497 -1.199 1 1 308 . 8 1 1 A 84 84 GLU CA C 99 54.482 54.374 0.108 1 1 309 . 8 1 1 A 84 84 GLU CB C 99 29.535 34.362 -4.827 1 1 310 . 8 1 1 A 84 84 GLU N N 99 119.571 121.791 -2.220 1 1 311 . 8 1 1 A 85 85 PRO CA C 100 62.512 60.403 2.109 1 1 312 . 8 1 1 A 85 85 PRO CB C 100 32.805 39.227 -6.422 1 1 313 . 8 1 1 A 86 86 LYS H H 101 8.640 9.033 -0.393 1 1 314 . 8 1 1 A 86 86 LYS CA C 101 55.615 54.005 1.610 1 1 315 . 8 1 1 A 86 86 LYS CB C 101 31.117 46.020 -14.903 1 1 316 . 8 1 1 A 86 86 LYS N N 101 122.999 122.349 0.650 1 1 317 . 8 1 1 A 87 87 ASP H H 102 7.395 8.340 -0.945 1 1 318 . 8 1 1 A 87 87 ASP CA C 102 54.233 57.643 -3.410 1 1 319 . 8 1 1 A 87 87 ASP CB C 102 42.084 40.454 1.630 1 1 320 . 8 1 1 A 87 87 ASP N N 102 119.006 121.364 -2.358 1 1 321 . 8 1 1 A 88 88 GLU H H 103 9.217 8.483 0.734 1 1 322 . 8 1 1 A 88 88 GLU CA C 103 58.996 53.348 5.648 1 1 323 . 8 1 1 A 88 88 GLU CB C 103 29.226 45.687 -16.461 1 1 324 . 8 1 1 A 88 88 GLU N N 103 127.412 118.820 8.592 1 1 325 . 8 1 1 A 89 89 ASP H H 104 9.043 8.491 0.552 1 1 326 . 8 1 1 A 89 89 ASP CA C 104 56.138 52.784 3.354 1 1 327 . 8 1 1 A 89 89 ASP CB C 104 39.487 40.203 -0.716 1 1 328 . 8 1 1 A 89 89 ASP N N 104 121.056 120.135 0.921 1 1 330 . 8 1 1 A 90 90 PHE CA C 105 58.124 62.941 -4.817 1 1 331 . 8 1 1 A 90 90 PHE CB C 105 38.909 30.984 7.925 1 1 332 . 8 1 1 A 90 90 PHE N N 105 111.473 138.620 -27.147 1 1 333 . 8 1 1 A 91 91 SER H H 106 7.907 8.027 -0.120 1 1 334 . 8 1 1 A 91 91 SER CA C 106 55.565 58.369 -2.804 1 1 335 . 8 1 1 A 91 91 SER CB C 106 63.139 65.921 -2.782 1 1 336 . 8 1 1 A 91 91 SER N N 106 115.544 115.366 0.178 1 1 337 . 8 1 1 A 92 92 PRO CA C 107 65.329 45.468 19.861 1 1 339 . 8 1 1 A 93 93 ASP H H 108 9.095 7.461 1.634 1 1 340 . 8 1 1 A 93 93 ASP CA C 108 52.726 55.487 -2.761 1 1 341 . 8 1 1 A 93 93 ASP CB C 108 40.551 33.594 6.957 1 1 342 . 8 1 1 A 93 93 ASP N N 108 115.482 120.419 -4.937 1 1 343 . 8 1 1 A 94 94 GLY H H 109 6.947 8.154 -1.207 1 1 344 . 8 1 1 A 94 94 GLY CA C 109 44.385 63.480 -19.095 1 1 345 . 8 1 1 A 94 94 GLY N N 109 106.691 125.605 -18.914 1 1 346 . 8 1 1 A 95 95 GLY H H 110 8.423 8.433 -0.010 1 1 347 . 8 1 1 A 95 95 GLY CA C 110 45.873 53.576 -7.703 1 1 348 . 8 1 1 A 95 95 GLY N N 110 107.178 122.726 -15.548 1 1 350 . 8 1 1 A 96 96 TYR CA C 111 55.619 63.368 -7.749 1 1 351 . 8 1 1 A 96 96 TYR CB C 111 38.312 30.436 7.876 1 1 352 . 8 1 1 A 96 96 TYR N N 111 116.246 140.142 -23.896 1 1 353 . 8 1 1 A 97 97 ILE H H 112 7.878 9.382 -1.504 1 1 354 . 8 1 1 A 97 97 ILE CA C 112 58.650 58.072 0.578 1 1 355 . 8 1 1 A 97 97 ILE N N 112 113.713 120.166 -6.453 1 1 356 . 8 1 1 A 98 98 PRO CA C 113 62.337 60.827 1.510 1 1 357 . 8 1 1 A 98 98 PRO CB C 113 34.315 36.954 -2.639 1 1 358 . 8 1 1 A 99 99 ARG H H 114 8.514 8.298 0.216 1 1 359 . 8 1 1 A 99 99 ARG CA C 114 54.460 58.870 -4.410 1 1 360 . 8 1 1 A 99 99 ARG CB C 114 34.399 40.504 -6.105 1 1 361 . 8 1 1 A 99 99 ARG N N 114 117.550 123.163 -5.613 1 1 362 . 8 1 1 A 100 100 ILE H H 115 8.819 8.381 0.438 1 1 363 . 8 1 1 A 100 100 ILE CA C 115 60.937 51.674 9.263 1 1 364 . 8 1 1 A 100 100 ILE CB C 115 39.021 36.400 2.621 1 1 365 . 8 1 1 A 100 100 ILE N N 115 122.056 121.852 0.204 1 1 366 . 8 1 1 A 101 101 LEU H H 116 8.692 8.228 0.464 1 1 367 . 8 1 1 A 101 101 LEU CA C 116 52.377 59.295 -6.918 1 1 368 . 8 1 1 A 101 101 LEU CB C 116 46.493 29.442 17.051 1 1 369 . 8 1 1 A 101 101 LEU N N 116 127.243 125.100 2.143 1 1 370 . 8 1 1 A 102 102 PHE H H 117 9.004 7.601 1.403 1 1 371 . 8 1 1 A 102 102 PHE CA C 117 57.076 54.034 3.042 1 1 372 . 8 1 1 A 102 102 PHE CB C 117 42.048 38.462 3.586 1 1 373 . 8 1 1 A 102 102 PHE N N 117 116.784 117.847 -1.063 1 1 374 . 8 1 1 A 103 103 LEU H H 118 9.303 8.440 0.863 1 1 375 . 8 1 1 A 103 103 LEU CA C 118 53.487 44.398 9.089 1 1 377 . 8 1 1 A 103 103 LEU N N 118 124.741 108.837 15.904 1 1 378 . 8 1 1 A 104 104 ASP H H 119 8.351 8.438 -0.087 1 1 379 . 8 1 1 A 104 104 ASP CA C 119 52.555 51.059 1.496 1 1 380 . 8 1 1 A 104 104 ASP CB C 119 39.406 39.395 0.011 1 1 381 . 8 1 1 A 104 104 ASP N N 119 117.539 116.564 0.975 1 1 382 . 8 1 1 A 105 105 PRO CA C 120 65.106 62.780 2.326 1 1 383 . 8 1 1 A 105 105 PRO CB C 120 31.459 29.564 1.895 1 1 384 . 8 1 1 A 106 106 SER H H 121 8.229 8.234 -0.005 1 1 385 . 8 1 1 A 106 106 SER CA C 121 58.891 57.259 1.632 1 1 386 . 8 1 1 A 106 106 SER CB C 121 64.061 63.936 0.125 1 1 387 . 8 1 1 A 106 106 SER N N 121 111.546 115.301 -3.755 1 1 388 . 8 1 1 A 107 107 GLY H H 122 8.970 7.877 1.093 1 1 389 . 8 1 1 A 107 107 GLY CA C 122 45.417 59.109 -13.692 1 1 390 . 8 1 1 A 107 107 GLY N N 122 111.616 120.365 -8.749 1 1 391 . 8 1 1 A 108 108 LYS H H 123 7.405 7.740 -0.335 1 1 392 . 8 1 1 A 108 108 LYS CA C 123 54.729 58.435 -3.706 1 1 393 . 8 1 1 A 108 108 LYS CB C 123 32.929 31.031 1.898 1 1 394 . 8 1 1 A 108 108 LYS N N 123 120.930 117.106 3.824 1 1 395 . 8 1 1 A 109 109 VAL H H 124 8.875 8.458 0.417 1 1 396 . 8 1 1 A 109 109 VAL CA C 124 64.103 60.153 3.950 1 1 397 . 8 1 1 A 109 109 VAL CB C 124 32.249 38.407 -6.158 1 1 398 . 8 1 1 A 109 109 VAL N N 124 126.925 119.641 7.284 1 1 399 . 8 1 1 A 110 110 HIS H H 125 8.911 7.835 1.076 1 1 400 . 8 1 1 A 110 110 HIS CA C 125 54.469 58.039 -3.570 1 1 401 . 8 1 1 A 110 110 HIS CB C 125 28.893 39.416 -10.523 1 1 402 . 8 1 1 A 110 110 HIS N N 125 127.112 120.552 6.560 1 1 403 . 8 1 1 A 111 111 PRO CA C 126 63.311 56.312 6.999 1 1 404 . 8 1 1 A 111 111 PRO CB C 126 32.232 42.492 -10.260 1 1 405 . 8 1 1 A 112 112 GLU H H 127 10.959 8.433 2.526 1 1 406 . 8 1 1 A 112 112 GLU CA C 127 57.439 61.312 -3.873 1 1 407 . 8 1 1 A 112 112 GLU CB C 127 27.174 33.760 -6.586 1 1 408 . 8 1 1 A 112 112 GLU N N 127 123.144 117.757 5.387 1 1 409 . 8 1 1 A 113 113 ILE H H 128 7.493 8.961 -1.468 1 1 410 . 8 1 1 A 113 113 ILE CA C 128 61.518 58.533 2.985 1 1 411 . 8 1 1 A 113 113 ILE CB C 128 35.365 63.378 -28.013 1 1 412 . 8 1 1 A 113 113 ILE N N 128 123.479 118.608 4.871 1 1 413 . 8 1 1 A 114 114 ILE H H 129 8.300 8.875 -0.575 1 1 414 . 8 1 1 A 114 114 ILE CA C 129 59.109 55.419 3.690 1 1 415 . 8 1 1 A 114 114 ILE CB C 129 42.309 18.340 23.969 1 1 416 . 8 1 1 A 114 114 ILE N N 129 123.439 128.832 -5.393 1 1 417 . 8 1 1 A 115 115 ASN H H 130 8.622 8.293 0.329 1 1 420 . 8 1 1 A 115 115 ASN CA C 130 51.381 60.177 -8.796 1 1 421 . 8 1 1 A 115 115 ASN CB C 130 35.215 29.367 5.848 1 1 422 . 8 1 1 A 115 115 ASN N N 130 114.712 118.718 -4.006 1 1 424 . 8 1 1 A 116 116 GLU H H 131 8.463 8.224 0.239 1 1 425 . 8 1 1 A 116 116 GLU CA C 131 58.882 58.744 0.138 1 1 426 . 8 1 1 A 116 116 GLU CB C 131 29.606 28.538 1.068 1 1 427 . 8 1 1 A 116 116 GLU N N 131 127.900 118.441 9.459 1 1 428 . 8 1 1 A 117 117 ASN H H 132 7.545 7.888 -0.343 1 1 431 . 8 1 1 A 117 117 ASN CA C 132 52.960 64.920 -11.960 1 1 432 . 8 1 1 A 117 117 ASN CB C 132 39.777 31.358 8.419 1 1 433 . 8 1 1 A 117 117 ASN N N 132 113.958 119.630 -5.672 1 1 435 . 8 1 1 A 118 118 GLY H H 133 7.109 8.065 -0.956 1 1 436 . 8 1 1 A 118 118 GLY CA C 133 44.662 64.835 -20.173 1 1 437 . 8 1 1 A 118 118 GLY N N 133 107.288 119.751 -12.463 1 1 438 . 8 1 1 A 119 119 ASN H H 134 8.795 8.730 0.065 1 1 441 . 8 1 1 A 119 119 ASN CA C 134 50.277 58.524 -8.247 1 1 442 . 8 1 1 A 119 119 ASN CB C 134 40.102 28.149 11.953 1 1 443 . 8 1 1 A 119 119 ASN N N 134 122.889 119.943 2.946 1 1 445 . 8 1 1 A 120 120 PRO CA C 135 64.320 46.725 17.595 1 1 447 . 8 1 1 A 121 121 SER H H 136 8.260 8.032 0.228 1 1 448 . 8 1 1 A 121 121 SER CA C 136 60.199 58.589 1.610 1 1 449 . 8 1 1 A 121 121 SER CB C 136 63.228 33.056 30.172 1 1 450 . 8 1 1 A 121 121 SER N N 136 113.554 118.026 -4.472 1 1 451 . 8 1 1 A 122 122 TYR H H 137 7.580 8.488 -0.908 1 1 452 . 8 1 1 A 122 122 TYR CA C 137 54.584 58.818 -4.234 1 1 453 . 8 1 1 A 122 122 TYR CB C 137 38.872 31.519 7.353 1 1 454 . 8 1 1 A 122 122 TYR N N 137 119.864 118.194 1.670 1 1 455 . 8 1 1 A 123 123 LYS H H 138 9.556 7.602 1.954 1 1 456 . 8 1 1 A 123 123 LYS CA C 138 60.415 58.503 1.912 1 1 457 . 8 1 1 A 123 123 LYS CB C 138 31.945 30.673 1.272 1 1 458 . 8 1 1 A 123 123 LYS N N 138 123.955 118.773 5.182 1 1 459 . 8 1 1 A 124 124 TYR H H 139 8.486 7.795 0.691 1 1 460 . 8 1 1 A 124 124 TYR CA C 139 56.009 54.588 1.421 1 1 461 . 8 1 1 A 124 124 TYR CB C 139 37.666 17.930 19.736 1 1 462 . 8 1 1 A 124 124 TYR N N 139 113.738 122.476 -8.738 1 1 463 . 8 1 1 A 125 125 PHE H H 140 7.562 8.604 -1.042 1 1 464 . 8 1 1 A 125 125 PHE CA C 140 56.561 57.369 -0.808 1 1 465 . 8 1 1 A 125 125 PHE CB C 140 40.897 27.214 13.683 1 1 466 . 8 1 1 A 125 125 PHE N N 140 122.592 115.449 7.143 1 1 467 . 8 1 1 A 126 126 TYR H H 141 8.133 8.576 -0.443 1 1 468 . 8 1 1 A 126 126 TYR CA C 141 57.326 56.944 0.382 1 1 469 . 8 1 1 A 126 126 TYR CB C 141 41.768 30.416 11.352 1 1 470 . 8 1 1 A 126 126 TYR N N 141 129.225 118.005 11.220 1 1 471 . 8 1 1 A 127 127 VAL H H 142 8.081 7.784 0.297 1 1 472 . 8 1 1 A 127 127 VAL CA C 142 61.414 57.268 4.146 1 1 473 . 8 1 1 A 127 127 VAL CB C 142 34.245 31.120 3.125 1 1 474 . 8 1 1 A 127 127 VAL N N 142 112.892 119.589 -6.697 1 1 475 . 8 1 1 A 128 128 SER H H 143 7.362 7.587 -0.225 1 1 476 . 8 1 1 A 128 128 SER CA C 143 55.028 55.138 -0.110 1 1 477 . 8 1 1 A 128 128 SER CB C 143 67.261 43.053 24.208 1 1 478 . 8 1 1 A 128 128 SER N N 143 112.848 115.539 -2.691 1 1 479 . 8 1 1 A 129 129 ALA H H 144 9.331 7.552 1.779 1 1 480 . 8 1 1 A 129 129 ALA CA C 144 55.568 63.374 -7.806 1 1 481 . 8 1 1 A 129 129 ALA CB C 144 18.005 68.131 -50.126 1 1 482 . 8 1 1 A 129 129 ALA N N 144 124.250 113.632 10.618 1 1 483 . 8 1 1 A 130 130 GLU H H 145 9.152 8.602 0.550 1 1 484 . 8 1 1 A 130 130 GLU CA C 145 60.626 44.965 15.661 1 1 486 . 8 1 1 A 130 130 GLU N N 145 116.980 113.327 3.653 1 1 487 . 8 1 1 A 131 131 GLN H H 146 7.621 8.543 -0.922 1 1 490 . 8 1 1 A 131 131 GLN CA C 146 58.552 53.223 5.329 1 1 491 . 8 1 1 A 131 131 GLN CB C 146 29.038 41.926 -12.888 1 1 492 . 8 1 1 A 131 131 GLN N N 146 117.565 125.348 -7.783 1 1 494 . 8 1 1 A 132 132 VAL H H 147 7.780 8.094 -0.314 1 1 495 . 8 1 1 A 132 132 VAL CA C 147 66.928 54.353 12.575 1 1 496 . 8 1 1 A 132 132 VAL CB C 147 31.324 18.705 12.619 1 1 497 . 8 1 1 A 132 132 VAL N N 147 121.486 122.289 -0.803 1 1 498 . 8 1 1 A 133 133 VAL H H 148 8.609 8.138 0.471 1 1 499 . 8 1 1 A 133 133 VAL CA C 148 67.053 60.385 6.668 1 1 500 . 8 1 1 A 133 133 VAL CB C 148 31.927 37.606 -5.679 1 1 501 . 8 1 1 A 133 133 VAL N N 148 119.560 113.741 5.819 1 1 502 . 8 1 1 A 134 134 GLN H H 149 7.365 7.062 0.303 1 1 505 . 8 1 1 A 134 134 GLN CA C 149 59.382 56.055 3.327 1 1 506 . 8 1 1 A 134 134 GLN CB C 149 27.860 30.768 -2.908 1 1 507 . 8 1 1 A 134 134 GLN N N 149 117.080 121.312 -4.232 1 1 509 . 8 1 1 A 135 135 GLY H H 150 8.085 8.422 -0.337 1 1 510 . 8 1 1 A 135 135 GLY CA C 150 47.499 54.721 -7.222 1 1 511 . 8 1 1 A 135 135 GLY N N 150 107.849 123.815 -15.966 1 1 512 . 8 1 1 A 136 136 MET H H 151 8.593 8.629 -0.036 1 1 513 . 8 1 1 A 136 136 MET CA C 151 59.730 55.356 4.374 1 1 514 . 8 1 1 A 136 136 MET CB C 151 35.435 34.769 0.666 1 1 515 . 8 1 1 A 136 136 MET N N 151 119.390 121.372 -1.982 1 1 516 . 8 1 1 A 137 137 LYS H H 152 8.591 9.383 -0.792 1 1 517 . 8 1 1 A 137 137 LYS CA C 152 60.659 58.067 2.592 1 1 518 . 8 1 1 A 137 137 LYS CB C 152 32.617 28.413 4.204 1 1 519 . 8 1 1 A 137 137 LYS N N 152 119.226 118.429 0.797 1 1 520 . 8 1 1 A 138 138 GLU H H 153 7.870 8.950 -1.080 1 1 521 . 8 1 1 A 138 138 GLU CA C 153 59.134 55.781 3.353 1 1 522 . 8 1 1 A 138 138 GLU CB C 153 28.879 40.641 -11.762 1 1 523 . 8 1 1 A 138 138 GLU N N 153 120.709 122.800 -2.091 1 1 524 . 8 1 1 A 139 139 ALA H H 154 8.493 8.568 -0.075 1 1 525 . 8 1 1 A 139 139 ALA CA C 154 55.450 55.386 0.064 1 1 526 . 8 1 1 A 139 139 ALA CB C 154 18.695 30.578 -11.883 1 1 527 . 8 1 1 A 139 139 ALA N N 154 120.598 125.181 -4.583 1 1 528 . 8 1 1 A 140 140 GLN H H 155 8.582 8.478 0.104 1 1 531 . 8 1 1 A 140 140 GLN CA C 155 59.239 56.519 2.720 1 1 532 . 8 1 1 A 140 140 GLN CB C 155 28.027 39.834 -11.807 1 1 533 . 8 1 1 A 140 140 GLN N N 155 116.438 116.500 -0.062 1 1 535 . 8 1 1 A 141 141 GLU H H 156 7.563 8.617 -1.054 1 1 536 . 8 1 1 A 141 141 GLU CA C 156 58.896 57.894 1.002 1 1 537 . 8 1 1 A 141 141 GLU CB C 156 29.885 32.046 -2.161 1 1 538 . 8 1 1 A 141 141 GLU N N 156 118.759 119.064 -0.305 1 1 1 . 9 1 1 A 7 7 HIS CA C 22 56.307 57.965 -1.658 1 1 2 . 9 1 1 A 7 7 HIS CB C 22 30.341 30.236 0.105 1 1 3 . 9 1 1 A 8 8 MET H H 23 8.449 7.724 0.725 1 1 4 . 9 1 1 A 8 8 MET CA C 23 55.742 62.629 -6.887 1 1 5 . 9 1 1 A 8 8 MET CB C 23 32.842 35.814 -2.972 1 1 6 . 9 1 1 A 8 8 MET N N 23 122.176 118.779 3.397 1 1 7 . 9 1 1 A 9 9 SER H H 24 8.428 6.564 1.864 1 1 8 . 9 1 1 A 9 9 SER CA C 24 58.412 55.147 3.265 1 1 9 . 9 1 1 A 9 9 SER CB C 24 63.900 28.743 35.157 1 1 10 . 9 1 1 A 9 9 SER N N 24 116.789 124.126 -7.337 1 1 11 . 9 1 1 A 10 10 ASP H H 25 8.382 7.154 1.228 1 1 12 . 9 1 1 A 10 10 ASP CA C 25 54.487 56.606 -2.119 1 1 13 . 9 1 1 A 10 10 ASP CB C 25 41.285 31.651 9.634 1 1 14 . 9 1 1 A 10 10 ASP N N 25 122.384 117.720 4.664 1 1 15 . 9 1 1 A 11 11 GLY H H 26 8.363 7.391 0.972 1 1 16 . 9 1 1 A 11 11 GLY CA C 26 45.546 58.578 -13.032 1 1 17 . 9 1 1 A 11 11 GLY N N 26 108.671 119.048 -10.377 1 1 18 . 9 1 1 A 12 12 HIS H H 27 8.350 7.441 0.909 1 1 19 . 9 1 1 A 12 12 HIS CA C 27 56.103 61.066 -4.963 1 1 20 . 9 1 1 A 12 12 HIS CB C 27 29.813 71.115 -41.302 1 1 21 . 9 1 1 A 12 12 HIS N N 27 118.814 109.275 9.539 1 1 22 . 9 1 1 A 13 13 ASN H H 28 8.505 8.698 -0.193 1 1 25 . 9 1 1 A 13 13 ASN CA C 28 53.482 58.434 -4.952 1 1 26 . 9 1 1 A 13 13 ASN CB C 28 39.386 41.344 -1.958 1 1 27 . 9 1 1 A 13 13 ASN N N 28 119.523 128.202 -8.679 1 1 29 . 9 1 1 A 14 14 GLY H H 29 8.743 7.892 0.851 1 1 30 . 9 1 1 A 14 14 GLY CA C 29 45.534 59.681 -14.147 1 1 31 . 9 1 1 A 14 14 GLY N N 29 110.136 119.145 -9.009 1 1 32 . 9 1 1 A 15 15 LEU H H 30 8.466 8.491 -0.025 1 1 33 . 9 1 1 A 15 15 LEU CA C 30 56.146 56.919 -0.773 1 1 34 . 9 1 1 A 15 15 LEU CB C 30 42.864 40.501 2.363 1 1 35 . 9 1 1 A 15 15 LEU N N 30 120.511 119.218 1.293 1 1 36 . 9 1 1 A 16 16 GLY H H 31 8.886 7.920 0.966 1 1 37 . 9 1 1 A 16 16 GLY CA C 31 47.064 47.015 0.049 1 1 38 . 9 1 1 A 16 16 GLY N N 31 108.073 107.534 0.539 1 1 39 . 9 1 1 A 17 17 LYS H H 32 7.854 8.240 -0.386 1 1 40 . 9 1 1 A 17 17 LYS CA C 32 55.661 59.018 -3.357 1 1 41 . 9 1 1 A 17 17 LYS CB C 32 29.379 32.262 -2.883 1 1 42 . 9 1 1 A 17 17 LYS N N 32 110.952 121.635 -10.683 1 1 43 . 9 1 1 A 18 18 GLY H H 33 8.095 7.844 0.251 1 1 44 . 9 1 1 A 18 18 GLY CA C 33 44.893 59.194 -14.301 1 1 45 . 9 1 1 A 18 18 GLY N N 33 103.957 118.999 -15.042 1 1 46 . 9 1 1 A 19 19 PHE H H 34 7.887 7.721 0.166 1 1 47 . 9 1 1 A 19 19 PHE CA C 34 61.146 59.306 1.840 1 1 48 . 9 1 1 A 19 19 PHE CB C 34 38.963 29.718 9.245 1 1 49 . 9 1 1 A 19 19 PHE N N 34 117.883 119.607 -1.724 1 1 50 . 9 1 1 A 20 20 GLY H H 35 7.696 8.372 -0.676 1 1 51 . 9 1 1 A 20 20 GLY CA C 35 45.189 54.629 -9.440 1 1 52 . 9 1 1 A 20 20 GLY N N 35 102.668 121.867 -19.199 1 1 53 . 9 1 1 A 21 21 ASP H H 36 9.284 7.498 1.786 1 1 54 . 9 1 1 A 21 21 ASP CA C 36 56.026 54.986 1.040 1 1 55 . 9 1 1 A 21 21 ASP CB C 36 40.543 18.340 22.203 1 1 56 . 9 1 1 A 21 21 ASP N N 36 129.289 120.145 9.144 1 1 57 . 9 1 1 A 22 22 HIS H H 37 9.058 8.148 0.910 1 1 58 . 9 1 1 A 22 22 HIS CA C 37 56.628 55.252 1.376 1 1 59 . 9 1 1 A 22 22 HIS CB C 37 29.941 18.651 11.290 1 1 60 . 9 1 1 A 22 22 HIS N N 37 116.742 120.531 -3.789 1 1 61 . 9 1 1 A 23 23 ILE H H 38 6.449 7.874 -1.425 1 1 62 . 9 1 1 A 23 23 ILE CA C 38 59.183 59.442 -0.259 1 1 63 . 9 1 1 A 23 23 ILE CB C 38 39.408 63.473 -24.065 1 1 64 . 9 1 1 A 23 23 ILE N N 38 124.704 112.319 12.385 1 1 65 . 9 1 1 A 24 24 HIS H H 39 7.857 8.566 -0.709 1 1 66 . 9 1 1 A 24 24 HIS CA C 39 52.931 46.240 6.691 1 1 68 . 9 1 1 A 24 24 HIS N N 39 124.600 109.867 14.733 1 1 69 . 9 1 1 A 25 25 TRP H H 40 8.032 7.298 0.734 1 1 71 . 9 1 1 A 25 25 TRP CA C 40 57.058 52.094 4.964 1 1 72 . 9 1 1 A 25 25 TRP CB C 40 30.411 42.817 -12.406 1 1 73 . 9 1 1 A 25 25 TRP N N 40 130.002 117.651 12.351 1 1 76 . 9 1 1 A 26 26 ARG CA C 41 54.500 62.501 -8.001 1 1 77 . 9 1 1 A 26 26 ARG CB C 41 35.055 32.102 2.953 1 1 78 . 9 1 1 A 26 26 ARG N N 41 122.005 135.541 -13.536 1 1 79 . 9 1 1 A 27 27 THR H H 42 8.562 8.034 0.528 1 1 80 . 9 1 1 A 27 27 THR CA C 42 61.294 53.925 7.369 1 1 81 . 9 1 1 A 27 27 THR CB C 42 70.325 43.158 27.167 1 1 82 . 9 1 1 A 27 27 THR N N 42 111.261 122.201 -10.940 1 1 83 . 9 1 1 A 28 28 LEU H H 43 8.994 9.003 -0.009 1 1 84 . 9 1 1 A 28 28 LEU CA C 43 59.121 53.768 5.353 1 1 85 . 9 1 1 A 28 28 LEU CB C 43 41.515 32.885 8.630 1 1 86 . 9 1 1 A 28 28 LEU N N 43 121.976 123.340 -1.364 1 1 87 . 9 1 1 A 29 29 GLU H H 44 8.759 8.266 0.493 1 1 88 . 9 1 1 A 29 29 GLU CA C 44 59.928 62.431 -2.503 1 1 89 . 9 1 1 A 29 29 GLU CB C 44 29.342 30.780 -1.438 1 1 90 . 9 1 1 A 29 29 GLU N N 44 116.492 124.990 -8.498 1 1 91 . 9 1 1 A 30 30 ASP H H 45 7.692 9.103 -1.411 1 1 92 . 9 1 1 A 30 30 ASP CA C 45 57.131 60.402 -3.271 1 1 93 . 9 1 1 A 30 30 ASP CB C 45 40.093 39.555 0.538 1 1 94 . 9 1 1 A 30 30 ASP N N 45 119.105 128.338 -9.233 1 1 95 . 9 1 1 A 31 31 GLY H H 46 9.224 9.030 0.194 1 1 96 . 9 1 1 A 31 31 GLY CA C 46 47.426 60.075 -12.649 1 1 97 . 9 1 1 A 31 31 GLY N N 46 111.508 128.656 -17.148 1 1 98 . 9 1 1 A 32 32 LYS H H 47 8.691 8.608 0.083 1 1 99 . 9 1 1 A 32 32 LYS CA C 47 60.968 53.405 7.563 1 1 100 . 9 1 1 A 32 32 LYS CB C 47 32.534 32.298 0.236 1 1 101 . 9 1 1 A 32 32 LYS N N 47 121.519 121.798 -0.279 1 1 102 . 9 1 1 A 33 33 LYS H H 48 7.234 8.199 -0.965 1 1 103 . 9 1 1 A 33 33 LYS CA C 48 59.734 54.293 5.441 1 1 104 . 9 1 1 A 33 33 LYS CB C 48 32.349 35.826 -3.477 1 1 105 . 9 1 1 A 33 33 LYS N N 48 119.937 124.030 -4.093 1 1 106 . 9 1 1 A 34 34 GLU H H 49 8.179 8.686 -0.507 1 1 107 . 9 1 1 A 34 34 GLU CA C 49 58.911 59.982 -1.071 1 1 108 . 9 1 1 A 34 34 GLU CB C 49 29.393 62.821 -33.428 1 1 109 . 9 1 1 A 34 34 GLU N N 49 121.748 115.103 6.645 1 1 110 . 9 1 1 A 35 35 ALA H H 50 9.142 8.760 0.382 1 1 111 . 9 1 1 A 35 35 ALA CA C 50 56.068 57.131 -1.063 1 1 112 . 9 1 1 A 35 35 ALA CB C 50 19.504 29.041 -9.537 1 1 113 . 9 1 1 A 35 35 ALA N N 50 125.093 123.114 1.979 1 1 114 . 9 1 1 A 36 36 ALA H H 51 7.548 8.236 -0.688 1 1 115 . 9 1 1 A 36 36 ALA CA C 51 54.765 57.157 -2.392 1 1 116 . 9 1 1 A 36 36 ALA CB C 51 18.095 29.235 -11.140 1 1 117 . 9 1 1 A 36 36 ALA N N 51 118.057 125.013 -6.956 1 1 118 . 9 1 1 A 37 37 ALA H H 52 7.517 8.797 -1.280 1 1 119 . 9 1 1 A 37 37 ALA CA C 52 54.200 46.712 7.488 1 1 121 . 9 1 1 A 37 37 ALA N N 52 118.541 114.917 3.624 1 1 122 . 9 1 1 A 38 38 SER H H 53 8.330 7.831 0.499 1 1 123 . 9 1 1 A 38 38 SER CA C 53 59.095 53.774 5.321 1 1 124 . 9 1 1 A 38 38 SER CB C 53 65.540 16.976 48.564 1 1 125 . 9 1 1 A 38 38 SER N N 53 110.905 123.956 -13.051 1 1 126 . 9 1 1 A 39 39 GLY H H 54 8.454 7.052 1.402 1 1 127 . 9 1 1 A 39 39 GLY CA C 54 46.559 59.501 -12.942 1 1 128 . 9 1 1 A 39 39 GLY N N 54 112.427 115.331 -2.904 1 1 129 . 9 1 1 A 40 40 LEU H H 55 7.580 7.556 0.024 1 1 130 . 9 1 1 A 40 40 LEU CA C 55 51.891 59.256 -7.365 1 1 131 . 9 1 1 A 40 40 LEU CB C 55 43.061 32.385 10.676 1 1 132 . 9 1 1 A 40 40 LEU N N 55 121.312 121.425 -0.113 1 1 133 . 9 1 1 A 41 41 PRO CA C 56 61.426 54.975 6.451 1 1 134 . 9 1 1 A 41 41 PRO CB C 56 32.878 18.433 14.445 1 1 135 . 9 1 1 A 42 42 LEU H H 57 8.447 7.947 0.500 1 1 136 . 9 1 1 A 42 42 LEU CA C 57 55.025 57.689 -2.664 1 1 137 . 9 1 1 A 42 42 LEU CB C 57 44.360 40.354 4.006 1 1 138 . 9 1 1 A 42 42 LEU N N 57 116.186 119.111 -2.925 1 1 139 . 9 1 1 A 43 43 MET H H 58 8.610 8.026 0.584 1 1 140 . 9 1 1 A 43 43 MET CA C 58 54.951 61.348 -6.397 1 1 141 . 9 1 1 A 43 43 MET CB C 58 34.319 30.743 3.576 1 1 142 . 9 1 1 A 43 43 MET N N 58 124.827 119.867 4.960 1 1 144 . 9 1 1 A 44 44 VAL CA C 59 60.237 65.167 -4.930 1 1 145 . 9 1 1 A 44 44 VAL CB C 59 34.052 31.340 2.712 1 1 146 . 9 1 1 A 44 44 VAL N N 59 125.176 132.352 -7.176 1 1 147 . 9 1 1 A 45 45 ILE H H 60 8.512 7.647 0.865 1 1 148 . 9 1 1 A 45 45 ILE CA C 60 60.138 59.162 0.976 1 1 149 . 9 1 1 A 45 45 ILE CB C 60 40.622 32.886 7.736 1 1 150 . 9 1 1 A 45 45 ILE N N 60 125.614 118.901 6.713 1 1 151 . 9 1 1 A 46 46 ILE H H 61 9.528 8.745 0.783 1 1 152 . 9 1 1 A 46 46 ILE CA C 61 61.356 61.552 -0.196 1 1 153 . 9 1 1 A 46 46 ILE CB C 61 39.017 39.746 -0.729 1 1 154 . 9 1 1 A 46 46 ILE N N 61 130.237 120.761 9.476 1 1 155 . 9 1 1 A 47 47 HIS H H 62 8.926 8.365 0.561 1 1 156 . 9 1 1 A 47 47 HIS CA C 62 54.153 54.970 -0.817 1 1 157 . 9 1 1 A 47 47 HIS CB C 62 35.638 18.453 17.185 1 1 158 . 9 1 1 A 47 47 HIS N N 62 121.634 120.934 0.700 1 1 159 . 9 1 1 A 48 48 LYS H H 63 7.798 8.668 -0.870 1 1 160 . 9 1 1 A 48 48 LYS CA C 63 52.412 58.624 -6.212 1 1 161 . 9 1 1 A 48 48 LYS CB C 63 33.666 29.622 4.044 1 1 162 . 9 1 1 A 48 48 LYS N N 63 116.188 119.507 -3.319 1 1 163 . 9 1 1 A 49 49 SER H H 64 10.807 9.151 1.656 1 1 164 . 9 1 1 A 49 49 SER CA C 64 60.779 59.818 0.961 1 1 165 . 9 1 1 A 49 49 SER CB C 64 62.612 62.159 0.453 1 1 166 . 9 1 1 A 49 49 SER N N 64 121.963 114.552 7.411 1 1 167 . 9 1 1 A 50 50 TRP H H 65 6.564 7.964 -1.400 1 1 169 . 9 1 1 A 50 50 TRP CA C 65 54.246 65.853 -11.607 1 1 170 . 9 1 1 A 50 50 TRP CB C 65 29.500 68.267 -38.767 1 1 171 . 9 1 1 A 50 50 TRP N N 65 115.717 113.464 2.253 1 1 173 . 9 1 1 A 51 51 CYS H H 66 6.689 7.872 -1.183 1 1 174 . 9 1 1 A 51 51 CYS CA C 66 60.195 59.140 1.055 1 1 175 . 9 1 1 A 51 51 CYS CB C 66 30.909 29.118 1.791 1 1 176 . 9 1 1 A 51 51 CYS N N 66 125.894 119.080 6.814 1 1 177 . 9 1 1 A 52 52 GLY H H 67 9.301 7.843 1.458 1 1 178 . 9 1 1 A 52 52 GLY CA C 67 47.510 63.548 -16.038 1 1 179 . 9 1 1 A 52 52 GLY N N 67 119.542 121.542 -2.000 1 1 180 . 9 1 1 A 53 53 ALA H H 68 9.861 8.098 1.763 1 1 181 . 9 1 1 A 53 53 ALA CA C 68 55.404 60.948 -5.544 1 1 182 . 9 1 1 A 53 53 ALA CB C 68 18.521 63.292 -44.771 1 1 183 . 9 1 1 A 53 53 ALA N N 68 133.080 118.219 14.861 1 1 184 . 9 1 1 A 54 54 CYS H H 69 9.891 7.994 1.897 1 1 185 . 9 1 1 A 54 54 CYS CA C 69 64.497 56.028 8.469 1 1 186 . 9 1 1 A 54 54 CYS CB C 69 29.057 30.899 -1.842 1 1 187 . 9 1 1 A 54 54 CYS N N 69 127.404 117.330 10.074 1 1 188 . 9 1 1 A 55 55 LYS H H 70 8.059 8.245 -0.186 1 1 189 . 9 1 1 A 55 55 LYS CA C 70 59.840 56.670 3.170 1 1 190 . 9 1 1 A 55 55 LYS CB C 70 32.942 42.694 -9.752 1 1 191 . 9 1 1 A 55 55 LYS N N 70 118.141 122.846 -4.705 1 1 192 . 9 1 1 A 56 56 ALA H H 71 7.517 7.667 -0.150 1 1 193 . 9 1 1 A 56 56 ALA CA C 71 53.989 58.997 -5.008 1 1 194 . 9 1 1 A 56 56 ALA CB C 71 18.501 63.601 -45.100 1 1 195 . 9 1 1 A 56 56 ALA N N 71 118.540 113.986 4.554 1 1 196 . 9 1 1 A 57 57 LEU H H 72 7.351 8.194 -0.843 1 1 197 . 9 1 1 A 57 57 LEU CA C 72 56.998 58.522 -1.524 1 1 198 . 9 1 1 A 57 57 LEU CB C 72 42.256 28.672 13.584 1 1 199 . 9 1 1 A 57 57 LEU N N 72 117.293 118.578 -1.285 1 1 200 . 9 1 1 A 58 58 LYS H H 73 7.101 8.163 -1.062 1 1 201 . 9 1 1 A 58 58 LYS CA C 73 62.302 55.775 6.527 1 1 202 . 9 1 1 A 58 58 LYS CB C 73 30.098 37.914 -7.816 1 1 203 . 9 1 1 A 58 58 LYS N N 73 115.956 120.083 -4.127 1 1 204 . 9 1 1 A 59 59 PRO CA C 74 65.581 55.105 10.476 1 1 205 . 9 1 1 A 59 59 PRO CB C 74 30.726 41.205 -10.479 1 1 206 . 9 1 1 A 60 60 LYS H H 75 6.694 8.813 -2.119 1 1 207 . 9 1 1 A 60 60 LYS CA C 75 58.353 60.243 -1.890 1 1 208 . 9 1 1 A 60 60 LYS CB C 75 32.606 35.810 -3.204 1 1 209 . 9 1 1 A 60 60 LYS N N 75 115.897 118.857 -2.960 1 1 210 . 9 1 1 A 61 61 PHE H H 76 8.285 8.685 -0.400 1 1 211 . 9 1 1 A 61 61 PHE CA C 76 60.241 56.083 4.158 1 1 212 . 9 1 1 A 61 61 PHE CB C 76 41.785 32.543 9.242 1 1 213 . 9 1 1 A 61 61 PHE N N 76 120.489 126.115 -5.626 1 1 214 . 9 1 1 A 62 62 ALA H H 77 9.036 8.995 0.041 1 1 215 . 9 1 1 A 62 62 ALA CA C 77 55.215 60.591 -5.376 1 1 216 . 9 1 1 A 62 62 ALA CB C 77 19.141 31.556 -12.415 1 1 217 . 9 1 1 A 62 62 ALA N N 77 119.890 121.310 -1.420 1 1 218 . 9 1 1 A 63 63 GLU H H 78 7.541 8.168 -0.627 1 1 219 . 9 1 1 A 63 63 GLU CA C 78 55.965 52.561 3.404 1 1 220 . 9 1 1 A 63 63 GLU CB C 78 29.630 40.699 -11.069 1 1 221 . 9 1 1 A 63 63 GLU N N 78 111.511 122.428 -10.917 1 1 222 . 9 1 1 A 64 64 SER H H 79 6.861 9.151 -2.290 1 1 223 . 9 1 1 A 64 64 SER CA C 79 57.323 53.253 4.070 1 1 224 . 9 1 1 A 64 64 SER CB C 79 63.306 44.035 19.271 1 1 225 . 9 1 1 A 64 64 SER N N 79 111.856 126.968 -15.112 1 1 226 . 9 1 1 A 65 65 THR H H 80 9.169 8.584 0.585 1 1 227 . 9 1 1 A 65 65 THR CA C 80 65.335 55.056 10.279 1 1 228 . 9 1 1 A 65 65 THR CB C 80 68.216 32.749 35.467 1 1 229 . 9 1 1 A 65 65 THR N N 80 129.658 119.729 9.929 1 1 230 . 9 1 1 A 66 66 GLU H H 81 8.354 8.542 -0.188 1 1 231 . 9 1 1 A 66 66 GLU CA C 81 60.236 57.527 2.709 1 1 232 . 9 1 1 A 66 66 GLU CB C 81 30.136 40.435 -10.299 1 1 233 . 9 1 1 A 66 66 GLU N N 81 123.573 123.656 -0.083 1 1 234 . 9 1 1 A 67 67 ILE H H 82 7.922 8.255 -0.333 1 1 235 . 9 1 1 A 67 67 ILE CA C 82 66.084 59.377 6.707 1 1 236 . 9 1 1 A 67 67 ILE CB C 82 37.806 29.403 8.403 1 1 237 . 9 1 1 A 67 67 ILE N N 82 119.503 118.794 0.709 1 1 238 . 9 1 1 A 68 68 SER H H 83 7.214 7.793 -0.579 1 1 239 . 9 1 1 A 68 68 SER CA C 83 63.512 58.678 4.834 1 1 240 . 9 1 1 A 68 68 SER CB C 83 62.330 29.800 32.530 1 1 241 . 9 1 1 A 68 68 SER N N 83 112.464 118.031 -5.567 1 1 242 . 9 1 1 A 69 69 GLU H H 84 8.224 7.817 0.407 1 1 243 . 9 1 1 A 69 69 GLU CA C 84 59.597 57.224 2.373 1 1 244 . 9 1 1 A 69 69 GLU CB C 84 29.640 28.089 1.551 1 1 245 . 9 1 1 A 69 69 GLU N N 84 120.267 119.361 0.906 1 1 247 . 9 1 1 A 70 70 LEU CA C 85 57.423 62.291 -4.868 1 1 248 . 9 1 1 A 70 70 LEU CB C 85 42.942 33.188 9.754 1 1 249 . 9 1 1 A 70 70 LEU N N 85 119.797 135.732 -15.935 1 1 250 . 9 1 1 A 71 71 SER H H 86 8.580 8.581 -0.001 1 1 251 . 9 1 1 A 71 71 SER CA C 86 62.310 55.426 6.884 1 1 252 . 9 1 1 A 71 71 SER CB C 86 62.306 32.553 29.753 1 1 253 . 9 1 1 A 71 71 SER N N 86 114.965 121.219 -6.254 1 1 254 . 9 1 1 A 72 72 HIS H H 87 7.189 7.832 -0.643 1 1 255 . 9 1 1 A 72 72 HIS CA C 87 57.593 52.988 4.605 1 1 256 . 9 1 1 A 72 72 HIS CB C 87 28.816 44.065 -15.249 1 1 257 . 9 1 1 A 72 72 HIS N N 87 119.159 123.703 -4.544 1 1 258 . 9 1 1 A 73 73 ASN H H 88 8.148 8.936 -0.788 1 1 261 . 9 1 1 A 73 73 ASN CA C 88 52.994 58.867 -5.873 1 1 262 . 9 1 1 A 73 73 ASN CB C 88 38.894 29.172 9.722 1 1 263 . 9 1 1 A 73 73 ASN N N 88 116.602 121.024 -4.422 1 1 265 . 9 1 1 A 74 74 PHE H H 89 7.623 8.220 -0.597 1 1 266 . 9 1 1 A 74 74 PHE CA C 89 56.882 56.696 0.186 1 1 267 . 9 1 1 A 74 74 PHE CB C 89 44.873 40.897 3.976 1 1 268 . 9 1 1 A 74 74 PHE N N 89 114.645 119.532 -4.887 1 1 269 . 9 1 1 A 75 75 VAL H H 90 8.952 8.141 0.811 1 1 270 . 9 1 1 A 75 75 VAL CA C 90 63.301 56.853 6.448 1 1 271 . 9 1 1 A 75 75 VAL CB C 90 31.213 40.069 -8.856 1 1 272 . 9 1 1 A 75 75 VAL N N 90 120.004 113.708 6.296 1 1 273 . 9 1 1 A 76 76 MET H H 91 7.486 7.732 -0.246 1 1 274 . 9 1 1 A 76 76 MET CA C 91 53.528 55.610 -2.082 1 1 275 . 9 1 1 A 76 76 MET CB C 91 30.717 64.108 -33.391 1 1 276 . 9 1 1 A 76 76 MET N N 91 129.189 114.757 14.432 1 1 278 . 9 1 1 A 77 77 VAL CA C 92 60.953 65.591 -4.638 1 1 279 . 9 1 1 A 77 77 VAL CB C 92 37.090 31.843 5.247 1 1 280 . 9 1 1 A 77 77 VAL N N 92 122.955 140.525 -17.570 1 1 281 . 9 1 1 A 78 78 ASN H H 93 10.248 8.937 1.311 1 1 283 . 9 1 1 A 78 78 ASN CA C 93 52.125 56.959 -4.834 1 1 284 . 9 1 1 A 78 78 ASN CB C 93 41.857 39.745 2.112 1 1 285 . 9 1 1 A 78 78 ASN N N 93 126.507 116.741 9.766 1 1 287 . 9 1 1 A 79 79 LEU H H 94 9.104 7.762 1.342 1 1 288 . 9 1 1 A 79 79 LEU CA C 94 52.410 44.367 8.043 1 1 290 . 9 1 1 A 79 79 LEU N N 94 123.073 107.900 15.173 1 1 291 . 9 1 1 A 80 80 GLU H H 95 9.161 8.247 0.914 1 1 292 . 9 1 1 A 80 80 GLU CA C 95 53.391 44.882 8.509 1 1 294 . 9 1 1 A 80 80 GLU N N 95 125.765 107.446 18.319 1 1 295 . 9 1 1 A 81 81 ASP H H 96 8.107 7.532 0.575 1 1 296 . 9 1 1 A 81 81 ASP CA C 96 57.563 58.024 -0.461 1 1 297 . 9 1 1 A 81 81 ASP CB C 96 38.605 39.324 -0.719 1 1 298 . 9 1 1 A 81 81 ASP N N 96 126.380 118.663 7.717 1 1 299 . 9 1 1 A 82 82 GLU H H 97 8.836 8.646 0.190 1 1 300 . 9 1 1 A 82 82 GLU CA C 97 58.555 57.253 1.302 1 1 301 . 9 1 1 A 82 82 GLU CB C 97 28.422 41.198 -12.776 1 1 302 . 9 1 1 A 82 82 GLU N N 97 123.966 113.420 10.546 1 1 304 . 9 1 1 A 83 83 GLU CA C 98 56.619 62.182 -5.563 1 1 305 . 9 1 1 A 83 83 GLU CB C 98 30.722 32.888 -2.166 1 1 306 . 9 1 1 A 83 83 GLU N N 98 118.069 142.215 -24.146 1 1 307 . 9 1 1 A 84 84 GLU H H 99 7.298 7.565 -0.267 1 1 308 . 9 1 1 A 84 84 GLU CA C 99 54.482 53.965 0.517 1 1 309 . 9 1 1 A 84 84 GLU CB C 99 29.535 33.493 -3.958 1 1 310 . 9 1 1 A 84 84 GLU N N 99 119.571 121.447 -1.876 1 1 311 . 9 1 1 A 85 85 PRO CA C 100 62.512 61.424 1.088 1 1 312 . 9 1 1 A 85 85 PRO CB C 100 32.805 37.936 -5.131 1 1 313 . 9 1 1 A 86 86 LYS H H 101 8.640 8.854 -0.214 1 1 314 . 9 1 1 A 86 86 LYS CA C 101 55.615 53.413 2.202 1 1 315 . 9 1 1 A 86 86 LYS CB C 101 31.117 45.118 -14.001 1 1 316 . 9 1 1 A 86 86 LYS N N 101 122.999 125.667 -2.668 1 1 317 . 9 1 1 A 87 87 ASP H H 102 7.395 8.744 -1.349 1 1 318 . 9 1 1 A 87 87 ASP CA C 102 54.233 57.278 -3.045 1 1 319 . 9 1 1 A 87 87 ASP CB C 102 42.084 41.344 0.740 1 1 320 . 9 1 1 A 87 87 ASP N N 102 119.006 123.827 -4.821 1 1 321 . 9 1 1 A 88 88 GLU H H 103 9.217 8.253 0.964 1 1 322 . 9 1 1 A 88 88 GLU CA C 103 58.996 53.819 5.177 1 1 323 . 9 1 1 A 88 88 GLU CB C 103 29.226 44.558 -15.332 1 1 324 . 9 1 1 A 88 88 GLU N N 103 127.412 118.516 8.896 1 1 325 . 9 1 1 A 89 89 ASP H H 104 9.043 8.360 0.683 1 1 326 . 9 1 1 A 89 89 ASP CA C 104 56.138 52.710 3.428 1 1 327 . 9 1 1 A 89 89 ASP CB C 104 39.487 39.865 -0.378 1 1 328 . 9 1 1 A 89 89 ASP N N 104 121.056 119.906 1.150 1 1 330 . 9 1 1 A 90 90 PHE CA C 105 58.124 63.142 -5.018 1 1 331 . 9 1 1 A 90 90 PHE CB C 105 38.909 31.184 7.725 1 1 332 . 9 1 1 A 90 90 PHE N N 105 111.473 138.194 -26.721 1 1 333 . 9 1 1 A 91 91 SER H H 106 7.907 8.549 -0.642 1 1 334 . 9 1 1 A 91 91 SER CA C 106 55.565 58.270 -2.705 1 1 335 . 9 1 1 A 91 91 SER CB C 106 63.139 65.198 -2.059 1 1 336 . 9 1 1 A 91 91 SER N N 106 115.544 116.287 -0.743 1 1 337 . 9 1 1 A 92 92 PRO CA C 107 65.329 45.600 19.729 1 1 339 . 9 1 1 A 93 93 ASP H H 108 9.095 7.409 1.686 1 1 340 . 9 1 1 A 93 93 ASP CA C 108 52.726 54.709 -1.983 1 1 341 . 9 1 1 A 93 93 ASP CB C 108 40.551 31.700 8.851 1 1 342 . 9 1 1 A 93 93 ASP N N 108 115.482 119.638 -4.156 1 1 343 . 9 1 1 A 94 94 GLY H H 109 6.947 8.167 -1.220 1 1 344 . 9 1 1 A 94 94 GLY CA C 109 44.385 63.012 -18.627 1 1 345 . 9 1 1 A 94 94 GLY N N 109 106.691 125.982 -19.291 1 1 346 . 9 1 1 A 95 95 GLY H H 110 8.423 8.421 0.002 1 1 347 . 9 1 1 A 95 95 GLY CA C 110 45.873 53.493 -7.620 1 1 348 . 9 1 1 A 95 95 GLY N N 110 107.178 128.452 -21.274 1 1 350 . 9 1 1 A 96 96 TYR CA C 111 55.619 63.349 -7.730 1 1 351 . 9 1 1 A 96 96 TYR CB C 111 38.312 30.165 8.147 1 1 352 . 9 1 1 A 96 96 TYR N N 111 116.246 139.743 -23.497 1 1 353 . 9 1 1 A 97 97 ILE H H 112 7.878 9.290 -1.412 1 1 354 . 9 1 1 A 97 97 ILE CA C 112 58.650 57.405 1.245 1 1 355 . 9 1 1 A 97 97 ILE N N 112 113.713 120.772 -7.059 1 1 356 . 9 1 1 A 98 98 PRO CA C 113 62.337 60.712 1.625 1 1 357 . 9 1 1 A 98 98 PRO CB C 113 34.315 36.587 -2.272 1 1 358 . 9 1 1 A 99 99 ARG H H 114 8.514 7.626 0.888 1 1 359 . 9 1 1 A 99 99 ARG CA C 114 54.460 58.658 -4.198 1 1 360 . 9 1 1 A 99 99 ARG CB C 114 34.399 39.705 -5.306 1 1 361 . 9 1 1 A 99 99 ARG N N 114 117.550 125.267 -7.717 1 1 362 . 9 1 1 A 100 100 ILE H H 115 8.819 8.518 0.301 1 1 363 . 9 1 1 A 100 100 ILE CA C 115 60.937 56.998 3.939 1 1 364 . 9 1 1 A 100 100 ILE CB C 115 39.021 38.957 0.064 1 1 365 . 9 1 1 A 100 100 ILE N N 115 122.056 120.314 1.742 1 1 366 . 9 1 1 A 101 101 LEU H H 116 8.692 7.988 0.704 1 1 367 . 9 1 1 A 101 101 LEU CA C 116 52.377 58.682 -6.305 1 1 368 . 9 1 1 A 101 101 LEU CB C 116 46.493 28.847 17.646 1 1 369 . 9 1 1 A 101 101 LEU N N 116 127.243 118.785 8.458 1 1 370 . 9 1 1 A 102 102 PHE H H 117 9.004 8.898 0.106 1 1 371 . 9 1 1 A 102 102 PHE CA C 117 57.076 55.811 1.265 1 1 372 . 9 1 1 A 102 102 PHE CB C 117 42.048 38.470 3.578 1 1 373 . 9 1 1 A 102 102 PHE N N 117 116.784 117.940 -1.156 1 1 374 . 9 1 1 A 103 103 LEU H H 118 9.303 7.771 1.532 1 1 375 . 9 1 1 A 103 103 LEU CA C 118 53.487 44.536 8.951 1 1 377 . 9 1 1 A 103 103 LEU N N 118 124.741 107.941 16.800 1 1 378 . 9 1 1 A 104 104 ASP H H 119 8.351 8.421 -0.070 1 1 379 . 9 1 1 A 104 104 ASP CA C 119 52.555 51.471 1.084 1 1 380 . 9 1 1 A 104 104 ASP CB C 119 39.406 38.357 1.049 1 1 381 . 9 1 1 A 104 104 ASP N N 119 117.539 117.115 0.424 1 1 382 . 9 1 1 A 105 105 PRO CA C 120 65.106 62.747 2.359 1 1 383 . 9 1 1 A 105 105 PRO CB C 120 31.459 29.525 1.934 1 1 384 . 9 1 1 A 106 106 SER H H 121 8.229 8.581 -0.352 1 1 385 . 9 1 1 A 106 106 SER CA C 121 58.891 58.819 0.072 1 1 386 . 9 1 1 A 106 106 SER CB C 121 64.061 65.825 -1.764 1 1 387 . 9 1 1 A 106 106 SER N N 121 111.546 115.568 -4.022 1 1 388 . 9 1 1 A 107 107 GLY H H 122 8.970 8.330 0.640 1 1 389 . 9 1 1 A 107 107 GLY CA C 122 45.417 60.364 -14.947 1 1 390 . 9 1 1 A 107 107 GLY N N 122 111.616 120.376 -8.760 1 1 391 . 9 1 1 A 108 108 LYS H H 123 7.405 7.726 -0.321 1 1 392 . 9 1 1 A 108 108 LYS CA C 123 54.729 58.531 -3.802 1 1 393 . 9 1 1 A 108 108 LYS CB C 123 32.929 31.095 1.834 1 1 394 . 9 1 1 A 108 108 LYS N N 123 120.930 117.409 3.521 1 1 395 . 9 1 1 A 109 109 VAL H H 124 8.875 8.781 0.094 1 1 396 . 9 1 1 A 109 109 VAL CA C 124 64.103 60.766 3.337 1 1 397 . 9 1 1 A 109 109 VAL CB C 124 32.249 38.363 -6.114 1 1 398 . 9 1 1 A 109 109 VAL N N 124 126.925 120.176 6.749 1 1 399 . 9 1 1 A 110 110 HIS H H 125 8.911 8.251 0.660 1 1 400 . 9 1 1 A 110 110 HIS CA C 125 54.469 57.538 -3.069 1 1 401 . 9 1 1 A 110 110 HIS CB C 125 28.893 40.144 -11.251 1 1 402 . 9 1 1 A 110 110 HIS N N 125 127.112 121.398 5.714 1 1 403 . 9 1 1 A 111 111 PRO CA C 126 63.311 55.265 8.046 1 1 404 . 9 1 1 A 111 111 PRO CB C 126 32.232 42.070 -9.838 1 1 405 . 9 1 1 A 112 112 GLU H H 127 10.959 8.945 2.014 1 1 406 . 9 1 1 A 112 112 GLU CA C 127 57.439 60.530 -3.091 1 1 407 . 9 1 1 A 112 112 GLU CB C 127 27.174 31.535 -4.361 1 1 408 . 9 1 1 A 112 112 GLU N N 127 123.144 118.191 4.953 1 1 409 . 9 1 1 A 113 113 ILE H H 128 7.493 8.111 -0.618 1 1 410 . 9 1 1 A 113 113 ILE CA C 128 61.518 57.444 4.074 1 1 411 . 9 1 1 A 113 113 ILE CB C 128 35.365 65.436 -30.071 1 1 412 . 9 1 1 A 113 113 ILE N N 128 123.479 116.999 6.480 1 1 413 . 9 1 1 A 114 114 ILE H H 129 8.300 9.005 -0.705 1 1 414 . 9 1 1 A 114 114 ILE CA C 129 59.109 55.106 4.003 1 1 415 . 9 1 1 A 114 114 ILE CB C 129 42.309 18.231 24.078 1 1 416 . 9 1 1 A 114 114 ILE N N 129 123.439 127.665 -4.226 1 1 417 . 9 1 1 A 115 115 ASN H H 130 8.622 7.872 0.750 1 1 420 . 9 1 1 A 115 115 ASN CA C 130 51.381 59.741 -8.360 1 1 421 . 9 1 1 A 115 115 ASN CB C 130 35.215 29.211 6.004 1 1 422 . 9 1 1 A 115 115 ASN N N 130 114.712 118.771 -4.059 1 1 424 . 9 1 1 A 116 116 GLU H H 131 8.463 8.084 0.379 1 1 425 . 9 1 1 A 116 116 GLU CA C 131 58.882 58.661 0.221 1 1 426 . 9 1 1 A 116 116 GLU CB C 131 29.606 28.313 1.293 1 1 427 . 9 1 1 A 116 116 GLU N N 131 127.900 118.449 9.451 1 1 428 . 9 1 1 A 117 117 ASN H H 132 7.545 7.487 0.058 1 1 431 . 9 1 1 A 117 117 ASN CA C 132 52.960 64.396 -11.436 1 1 432 . 9 1 1 A 117 117 ASN CB C 132 39.777 30.867 8.910 1 1 433 . 9 1 1 A 117 117 ASN N N 132 113.958 119.395 -5.437 1 1 435 . 9 1 1 A 118 118 GLY H H 133 7.109 7.691 -0.582 1 1 436 . 9 1 1 A 118 118 GLY CA C 133 44.662 64.690 -20.028 1 1 437 . 9 1 1 A 118 118 GLY N N 133 107.288 119.698 -12.410 1 1 438 . 9 1 1 A 119 119 ASN H H 134 8.795 8.664 0.131 1 1 441 . 9 1 1 A 119 119 ASN CA C 134 50.277 58.365 -8.088 1 1 442 . 9 1 1 A 119 119 ASN CB C 134 40.102 28.164 11.938 1 1 443 . 9 1 1 A 119 119 ASN N N 134 122.889 120.022 2.867 1 1 445 . 9 1 1 A 120 120 PRO CA C 135 64.320 46.380 17.940 1 1 447 . 9 1 1 A 121 121 SER H H 136 8.260 7.995 0.265 1 1 448 . 9 1 1 A 121 121 SER CA C 136 60.199 58.544 1.655 1 1 449 . 9 1 1 A 121 121 SER CB C 136 63.228 32.795 30.433 1 1 450 . 9 1 1 A 121 121 SER N N 136 113.554 120.585 -7.031 1 1 451 . 9 1 1 A 122 122 TYR H H 137 7.580 8.551 -0.971 1 1 452 . 9 1 1 A 122 122 TYR CA C 137 54.584 58.499 -3.915 1 1 453 . 9 1 1 A 122 122 TYR CB C 137 38.872 31.214 7.658 1 1 454 . 9 1 1 A 122 122 TYR N N 137 119.864 118.130 1.734 1 1 455 . 9 1 1 A 123 123 LYS H H 138 9.556 7.715 1.841 1 1 456 . 9 1 1 A 123 123 LYS CA C 138 60.415 58.632 1.783 1 1 457 . 9 1 1 A 123 123 LYS CB C 138 31.945 30.253 1.692 1 1 458 . 9 1 1 A 123 123 LYS N N 138 123.955 118.886 5.069 1 1 459 . 9 1 1 A 124 124 TYR H H 139 8.486 7.983 0.503 1 1 460 . 9 1 1 A 124 124 TYR CA C 139 56.009 54.784 1.225 1 1 461 . 9 1 1 A 124 124 TYR CB C 139 37.666 18.340 19.326 1 1 462 . 9 1 1 A 124 124 TYR N N 139 113.738 122.343 -8.605 1 1 463 . 9 1 1 A 125 125 PHE H H 140 7.562 8.506 -0.944 1 1 464 . 9 1 1 A 125 125 PHE CA C 140 56.561 57.926 -1.365 1 1 465 . 9 1 1 A 125 125 PHE CB C 140 40.897 27.620 13.277 1 1 466 . 9 1 1 A 125 125 PHE N N 140 122.592 115.786 6.806 1 1 467 . 9 1 1 A 126 126 TYR H H 141 8.133 8.250 -0.117 1 1 468 . 9 1 1 A 126 126 TYR CA C 141 57.326 57.915 -0.589 1 1 469 . 9 1 1 A 126 126 TYR CB C 141 41.768 31.092 10.676 1 1 470 . 9 1 1 A 126 126 TYR N N 141 129.225 118.484 10.741 1 1 471 . 9 1 1 A 127 127 VAL H H 142 8.081 7.786 0.295 1 1 472 . 9 1 1 A 127 127 VAL CA C 142 61.414 58.248 3.166 1 1 473 . 9 1 1 A 127 127 VAL CB C 142 34.245 29.511 4.734 1 1 474 . 9 1 1 A 127 127 VAL N N 142 112.892 119.033 -6.141 1 1 475 . 9 1 1 A 128 128 SER H H 143 7.362 8.201 -0.839 1 1 476 . 9 1 1 A 128 128 SER CA C 143 55.028 56.704 -1.676 1 1 477 . 9 1 1 A 128 128 SER CB C 143 67.261 42.778 24.483 1 1 478 . 9 1 1 A 128 128 SER N N 143 112.848 121.995 -9.147 1 1 479 . 9 1 1 A 129 129 ALA H H 144 9.331 7.936 1.395 1 1 480 . 9 1 1 A 129 129 ALA CA C 144 55.568 62.229 -6.661 1 1 481 . 9 1 1 A 129 129 ALA CB C 144 18.005 69.289 -51.284 1 1 482 . 9 1 1 A 129 129 ALA N N 144 124.250 111.739 12.511 1 1 483 . 9 1 1 A 130 130 GLU H H 145 9.152 7.817 1.335 1 1 484 . 9 1 1 A 130 130 GLU CA C 145 60.626 45.633 14.993 1 1 486 . 9 1 1 A 130 130 GLU N N 145 116.980 108.556 8.424 1 1 487 . 9 1 1 A 131 131 GLN H H 146 7.621 8.411 -0.790 1 1 490 . 9 1 1 A 131 131 GLN CA C 146 58.552 55.715 2.837 1 1 491 . 9 1 1 A 131 131 GLN CB C 146 29.038 39.522 -10.484 1 1 492 . 9 1 1 A 131 131 GLN N N 146 117.565 115.496 2.069 1 1 494 . 9 1 1 A 132 132 VAL H H 147 7.780 8.009 -0.229 1 1 495 . 9 1 1 A 132 132 VAL CA C 147 66.928 51.983 14.945 1 1 496 . 9 1 1 A 132 132 VAL CB C 147 31.324 18.870 12.454 1 1 497 . 9 1 1 A 132 132 VAL N N 147 121.486 119.419 2.067 1 1 498 . 9 1 1 A 133 133 VAL H H 148 8.609 7.893 0.716 1 1 499 . 9 1 1 A 133 133 VAL CA C 148 67.053 57.798 9.255 1 1 500 . 9 1 1 A 133 133 VAL CB C 148 31.927 40.141 -8.214 1 1 501 . 9 1 1 A 133 133 VAL N N 148 119.560 115.187 4.373 1 1 502 . 9 1 1 A 134 134 GLN H H 149 7.365 7.193 0.172 1 1 505 . 9 1 1 A 134 134 GLN CA C 149 59.382 58.632 0.750 1 1 506 . 9 1 1 A 134 134 GLN CB C 149 27.860 30.433 -2.573 1 1 507 . 9 1 1 A 134 134 GLN N N 149 117.080 119.192 -2.112 1 1 509 . 9 1 1 A 135 135 GLY H H 150 8.085 7.436 0.649 1 1 510 . 9 1 1 A 135 135 GLY CA C 150 47.499 55.801 -8.302 1 1 511 . 9 1 1 A 135 135 GLY N N 150 107.849 117.399 -9.550 1 1 512 . 9 1 1 A 136 136 MET H H 151 8.593 8.611 -0.018 1 1 513 . 9 1 1 A 136 136 MET CA C 151 59.730 55.331 4.399 1 1 514 . 9 1 1 A 136 136 MET CB C 151 35.435 32.646 2.789 1 1 515 . 9 1 1 A 136 136 MET N N 151 119.390 121.000 -1.610 1 1 516 . 9 1 1 A 137 137 LYS H H 152 8.591 7.690 0.901 1 1 517 . 9 1 1 A 137 137 LYS CA C 152 60.659 54.406 6.253 1 1 518 . 9 1 1 A 137 137 LYS CB C 152 32.617 34.354 -1.737 1 1 519 . 9 1 1 A 137 137 LYS N N 152 119.226 119.251 -0.025 1 1 520 . 9 1 1 A 138 138 GLU H H 153 7.870 8.947 -1.077 1 1 521 . 9 1 1 A 138 138 GLU CA C 153 59.134 53.814 5.320 1 1 522 . 9 1 1 A 138 138 GLU CB C 153 28.879 45.196 -16.317 1 1 523 . 9 1 1 A 138 138 GLU N N 153 120.709 117.878 2.831 1 1 524 . 9 1 1 A 139 139 ALA H H 154 8.493 8.654 -0.161 1 1 525 . 9 1 1 A 139 139 ALA CA C 154 55.450 55.889 -0.439 1 1 526 . 9 1 1 A 139 139 ALA CB C 154 18.695 30.199 -11.504 1 1 527 . 9 1 1 A 139 139 ALA N N 154 120.598 116.659 3.939 1 1 528 . 9 1 1 A 140 140 GLN H H 155 8.582 7.778 0.804 1 1 531 . 9 1 1 A 140 140 GLN CA C 155 59.239 53.189 6.050 1 1 532 . 9 1 1 A 140 140 GLN CB C 155 28.027 42.245 -14.218 1 1 533 . 9 1 1 A 140 140 GLN N N 155 116.438 121.866 -5.428 1 1 535 . 9 1 1 A 141 141 GLU H H 156 7.563 8.743 -1.180 1 1 536 . 9 1 1 A 141 141 GLU CA C 156 58.896 58.537 0.359 1 1 537 . 9 1 1 A 141 141 GLU CB C 156 29.885 29.060 0.825 1 1 538 . 9 1 1 A 141 141 GLU N N 156 118.759 123.279 -4.520 1 1 1 . 10 1 1 A 7 7 HIS CA C 22 56.307 58.063 -1.756 1 1 2 . 10 1 1 A 7 7 HIS CB C 22 30.341 30.804 -0.463 1 1 3 . 10 1 1 A 8 8 MET H H 23 8.449 7.807 0.642 1 1 4 . 10 1 1 A 8 8 MET CA C 23 55.742 63.146 -7.404 1 1 5 . 10 1 1 A 8 8 MET CB C 23 32.842 36.411 -3.569 1 1 6 . 10 1 1 A 8 8 MET N N 23 122.176 118.884 3.292 1 1 7 . 10 1 1 A 9 9 SER H H 24 8.428 6.509 1.919 1 1 8 . 10 1 1 A 9 9 SER CA C 24 58.412 54.803 3.609 1 1 9 . 10 1 1 A 9 9 SER CB C 24 63.900 28.162 35.738 1 1 10 . 10 1 1 A 9 9 SER N N 24 116.789 122.267 -5.478 1 1 11 . 10 1 1 A 10 10 ASP H H 25 8.382 7.602 0.780 1 1 12 . 10 1 1 A 10 10 ASP CA C 25 54.487 56.641 -2.154 1 1 13 . 10 1 1 A 10 10 ASP CB C 25 41.285 31.700 9.585 1 1 14 . 10 1 1 A 10 10 ASP N N 25 122.384 118.555 3.829 1 1 15 . 10 1 1 A 11 11 GLY H H 26 8.363 8.114 0.249 1 1 16 . 10 1 1 A 11 11 GLY CA C 26 45.546 58.642 -13.096 1 1 17 . 10 1 1 A 11 11 GLY N N 26 108.671 121.428 -12.757 1 1 18 . 10 1 1 A 12 12 HIS H H 27 8.350 7.537 0.813 1 1 19 . 10 1 1 A 12 12 HIS CA C 27 56.103 61.302 -5.199 1 1 20 . 10 1 1 A 12 12 HIS CB C 27 29.813 71.859 -42.046 1 1 21 . 10 1 1 A 12 12 HIS N N 27 118.814 112.010 6.804 1 1 22 . 10 1 1 A 13 13 ASN H H 28 8.505 8.707 -0.202 1 1 25 . 10 1 1 A 13 13 ASN CA C 28 53.482 58.398 -4.916 1 1 26 . 10 1 1 A 13 13 ASN CB C 28 39.386 41.771 -2.385 1 1 27 . 10 1 1 A 13 13 ASN N N 28 119.523 128.970 -9.447 1 1 29 . 10 1 1 A 14 14 GLY H H 29 8.743 8.026 0.717 1 1 30 . 10 1 1 A 14 14 GLY CA C 29 45.534 59.598 -14.064 1 1 31 . 10 1 1 A 14 14 GLY N N 29 110.136 119.333 -9.197 1 1 32 . 10 1 1 A 15 15 LEU H H 30 8.466 8.375 0.091 1 1 33 . 10 1 1 A 15 15 LEU CA C 30 56.146 56.635 -0.489 1 1 34 . 10 1 1 A 15 15 LEU CB C 30 42.864 40.556 2.308 1 1 35 . 10 1 1 A 15 15 LEU N N 30 120.511 118.280 2.231 1 1 36 . 10 1 1 A 16 16 GLY H H 31 8.886 7.941 0.945 1 1 37 . 10 1 1 A 16 16 GLY CA C 31 47.064 47.356 -0.292 1 1 38 . 10 1 1 A 16 16 GLY N N 31 108.073 108.289 -0.216 1 1 39 . 10 1 1 A 17 17 LYS H H 32 7.854 7.820 0.034 1 1 40 . 10 1 1 A 17 17 LYS CA C 32 55.661 59.138 -3.477 1 1 41 . 10 1 1 A 17 17 LYS CB C 32 29.379 32.014 -2.635 1 1 42 . 10 1 1 A 17 17 LYS N N 32 110.952 121.205 -10.253 1 1 43 . 10 1 1 A 18 18 GLY H H 33 8.095 7.500 0.595 1 1 44 . 10 1 1 A 18 18 GLY CA C 33 44.893 59.079 -14.186 1 1 45 . 10 1 1 A 18 18 GLY N N 33 103.957 119.614 -15.657 1 1 46 . 10 1 1 A 19 19 PHE H H 34 7.887 8.031 -0.144 1 1 47 . 10 1 1 A 19 19 PHE CA C 34 61.146 58.651 2.495 1 1 48 . 10 1 1 A 19 19 PHE CB C 34 38.963 29.636 9.327 1 1 49 . 10 1 1 A 19 19 PHE N N 34 117.883 118.880 -0.997 1 1 50 . 10 1 1 A 20 20 GLY H H 35 7.696 8.219 -0.523 1 1 51 . 10 1 1 A 20 20 GLY CA C 35 45.189 54.839 -9.650 1 1 52 . 10 1 1 A 20 20 GLY N N 35 102.668 121.354 -18.686 1 1 53 . 10 1 1 A 21 21 ASP H H 36 9.284 7.574 1.710 1 1 54 . 10 1 1 A 21 21 ASP CA C 36 56.026 54.912 1.114 1 1 55 . 10 1 1 A 21 21 ASP CB C 36 40.543 18.476 22.067 1 1 56 . 10 1 1 A 21 21 ASP N N 36 129.289 120.222 9.067 1 1 57 . 10 1 1 A 22 22 HIS H H 37 9.058 8.211 0.847 1 1 58 . 10 1 1 A 22 22 HIS CA C 37 56.628 55.202 1.426 1 1 59 . 10 1 1 A 22 22 HIS CB C 37 29.941 18.608 11.333 1 1 60 . 10 1 1 A 22 22 HIS N N 37 116.742 120.155 -3.413 1 1 61 . 10 1 1 A 23 23 ILE H H 38 6.449 7.500 -1.051 1 1 62 . 10 1 1 A 23 23 ILE CA C 38 59.183 59.140 0.043 1 1 63 . 10 1 1 A 23 23 ILE CB C 38 39.408 63.542 -24.134 1 1 64 . 10 1 1 A 23 23 ILE N N 38 124.704 114.157 10.547 1 1 65 . 10 1 1 A 24 24 HIS H H 39 7.857 8.382 -0.525 1 1 66 . 10 1 1 A 24 24 HIS CA C 39 52.931 46.298 6.633 1 1 68 . 10 1 1 A 24 24 HIS N N 39 124.600 109.852 14.748 1 1 69 . 10 1 1 A 25 25 TRP H H 40 8.032 7.248 0.784 1 1 71 . 10 1 1 A 25 25 TRP CA C 40 57.058 51.907 5.151 1 1 72 . 10 1 1 A 25 25 TRP CB C 40 30.411 42.553 -12.142 1 1 73 . 10 1 1 A 25 25 TRP N N 40 130.002 118.000 12.002 1 1 76 . 10 1 1 A 26 26 ARG CA C 41 54.500 62.353 -7.853 1 1 77 . 10 1 1 A 26 26 ARG CB C 41 35.055 32.103 2.952 1 1 78 . 10 1 1 A 26 26 ARG N N 41 122.005 135.046 -13.041 1 1 79 . 10 1 1 A 27 27 THR H H 42 8.562 8.113 0.449 1 1 80 . 10 1 1 A 27 27 THR CA C 42 61.294 53.802 7.492 1 1 81 . 10 1 1 A 27 27 THR CB C 42 70.325 43.937 26.388 1 1 82 . 10 1 1 A 27 27 THR N N 42 111.261 121.934 -10.673 1 1 83 . 10 1 1 A 28 28 LEU H H 43 8.994 8.946 0.048 1 1 84 . 10 1 1 A 28 28 LEU CA C 43 59.121 53.872 5.249 1 1 85 . 10 1 1 A 28 28 LEU CB C 43 41.515 33.358 8.157 1 1 86 . 10 1 1 A 28 28 LEU N N 43 121.976 123.684 -1.708 1 1 87 . 10 1 1 A 29 29 GLU H H 44 8.759 8.384 0.375 1 1 88 . 10 1 1 A 29 29 GLU CA C 44 59.928 62.205 -2.277 1 1 89 . 10 1 1 A 29 29 GLU CB C 44 29.342 30.169 -0.827 1 1 90 . 10 1 1 A 29 29 GLU N N 44 116.492 126.064 -9.572 1 1 91 . 10 1 1 A 30 30 ASP H H 45 7.692 8.443 -0.751 1 1 92 . 10 1 1 A 30 30 ASP CA C 45 57.131 60.506 -3.375 1 1 93 . 10 1 1 A 30 30 ASP CB C 45 40.093 37.822 2.271 1 1 94 . 10 1 1 A 30 30 ASP N N 45 119.105 127.702 -8.597 1 1 95 . 10 1 1 A 31 31 GLY H H 46 9.224 8.879 0.345 1 1 96 . 10 1 1 A 31 31 GLY CA C 46 47.426 60.069 -12.643 1 1 97 . 10 1 1 A 31 31 GLY N N 46 111.508 127.691 -16.183 1 1 98 . 10 1 1 A 32 32 LYS H H 47 8.691 8.535 0.156 1 1 99 . 10 1 1 A 32 32 LYS CA C 47 60.968 53.547 7.421 1 1 100 . 10 1 1 A 32 32 LYS CB C 47 32.534 32.266 0.268 1 1 101 . 10 1 1 A 32 32 LYS N N 47 121.519 122.495 -0.976 1 1 102 . 10 1 1 A 33 33 LYS H H 48 7.234 8.619 -1.385 1 1 103 . 10 1 1 A 33 33 LYS CA C 48 59.734 54.222 5.512 1 1 104 . 10 1 1 A 33 33 LYS CB C 48 32.349 36.025 -3.676 1 1 105 . 10 1 1 A 33 33 LYS N N 48 119.937 123.812 -3.875 1 1 106 . 10 1 1 A 34 34 GLU H H 49 8.179 8.596 -0.417 1 1 107 . 10 1 1 A 34 34 GLU CA C 49 58.911 60.290 -1.379 1 1 108 . 10 1 1 A 34 34 GLU CB C 49 29.393 62.645 -33.252 1 1 109 . 10 1 1 A 34 34 GLU N N 49 121.748 114.514 7.234 1 1 110 . 10 1 1 A 35 35 ALA H H 50 9.142 8.783 0.359 1 1 111 . 10 1 1 A 35 35 ALA CA C 50 56.068 56.915 -0.847 1 1 112 . 10 1 1 A 35 35 ALA CB C 50 19.504 28.615 -9.111 1 1 113 . 10 1 1 A 35 35 ALA N N 50 125.093 122.569 2.524 1 1 114 . 10 1 1 A 36 36 ALA H H 51 7.548 8.046 -0.498 1 1 115 . 10 1 1 A 36 36 ALA CA C 51 54.765 57.576 -2.811 1 1 116 . 10 1 1 A 36 36 ALA CB C 51 18.095 27.933 -9.838 1 1 117 . 10 1 1 A 36 36 ALA N N 51 118.057 121.491 -3.434 1 1 118 . 10 1 1 A 37 37 ALA H H 52 7.517 8.834 -1.317 1 1 119 . 10 1 1 A 37 37 ALA CA C 52 54.200 47.163 7.037 1 1 121 . 10 1 1 A 37 37 ALA N N 52 118.541 111.480 7.061 1 1 122 . 10 1 1 A 38 38 SER H H 53 8.330 7.998 0.332 1 1 123 . 10 1 1 A 38 38 SER CA C 53 59.095 54.411 4.684 1 1 124 . 10 1 1 A 38 38 SER CB C 53 65.540 18.198 47.342 1 1 125 . 10 1 1 A 38 38 SER N N 53 110.905 124.284 -13.379 1 1 126 . 10 1 1 A 39 39 GLY H H 54 8.454 8.005 0.449 1 1 127 . 10 1 1 A 39 39 GLY CA C 54 46.559 60.956 -14.397 1 1 128 . 10 1 1 A 39 39 GLY N N 54 112.427 115.806 -3.379 1 1 129 . 10 1 1 A 40 40 LEU H H 55 7.580 7.697 -0.117 1 1 130 . 10 1 1 A 40 40 LEU CA C 55 51.891 59.623 -7.732 1 1 131 . 10 1 1 A 40 40 LEU CB C 55 43.061 32.363 10.698 1 1 132 . 10 1 1 A 40 40 LEU N N 55 121.312 120.878 0.434 1 1 133 . 10 1 1 A 41 41 PRO CA C 56 61.426 54.366 7.060 1 1 134 . 10 1 1 A 41 41 PRO CB C 56 32.878 18.508 14.370 1 1 135 . 10 1 1 A 42 42 LEU H H 57 8.447 8.143 0.304 1 1 136 . 10 1 1 A 42 42 LEU CA C 57 55.025 57.772 -2.747 1 1 137 . 10 1 1 A 42 42 LEU CB C 57 44.360 41.467 2.893 1 1 138 . 10 1 1 A 42 42 LEU N N 57 116.186 121.466 -5.280 1 1 139 . 10 1 1 A 43 43 MET H H 58 8.610 7.791 0.819 1 1 140 . 10 1 1 A 43 43 MET CA C 58 54.951 61.464 -6.513 1 1 141 . 10 1 1 A 43 43 MET CB C 58 34.319 30.508 3.811 1 1 142 . 10 1 1 A 43 43 MET N N 58 124.827 119.718 5.109 1 1 144 . 10 1 1 A 44 44 VAL CA C 59 60.237 65.013 -4.776 1 1 145 . 10 1 1 A 44 44 VAL CB C 59 34.052 31.205 2.847 1 1 146 . 10 1 1 A 44 44 VAL N N 59 125.176 133.341 -8.165 1 1 147 . 10 1 1 A 45 45 ILE H H 60 8.512 8.460 0.052 1 1 148 . 10 1 1 A 45 45 ILE CA C 60 60.138 58.530 1.608 1 1 149 . 10 1 1 A 45 45 ILE CB C 60 40.622 32.999 7.623 1 1 150 . 10 1 1 A 45 45 ILE N N 60 125.614 116.148 9.466 1 1 151 . 10 1 1 A 46 46 ILE H H 61 9.528 8.381 1.147 1 1 152 . 10 1 1 A 46 46 ILE CA C 61 61.356 61.453 -0.097 1 1 153 . 10 1 1 A 46 46 ILE CB C 61 39.017 39.494 -0.477 1 1 154 . 10 1 1 A 46 46 ILE N N 61 130.237 121.133 9.104 1 1 155 . 10 1 1 A 47 47 HIS H H 62 8.926 8.424 0.502 1 1 156 . 10 1 1 A 47 47 HIS CA C 62 54.153 54.835 -0.682 1 1 157 . 10 1 1 A 47 47 HIS CB C 62 35.638 18.439 17.199 1 1 158 . 10 1 1 A 47 47 HIS N N 62 121.634 121.278 0.356 1 1 159 . 10 1 1 A 48 48 LYS H H 63 7.798 8.349 -0.551 1 1 160 . 10 1 1 A 48 48 LYS CA C 63 52.412 58.675 -6.263 1 1 161 . 10 1 1 A 48 48 LYS CB C 63 33.666 29.469 4.197 1 1 162 . 10 1 1 A 48 48 LYS N N 63 116.188 119.360 -3.172 1 1 163 . 10 1 1 A 49 49 SER H H 64 10.807 8.684 2.123 1 1 164 . 10 1 1 A 49 49 SER CA C 64 60.779 60.542 0.237 1 1 165 . 10 1 1 A 49 49 SER CB C 64 62.612 62.673 -0.061 1 1 166 . 10 1 1 A 49 49 SER N N 64 121.963 115.889 6.074 1 1 167 . 10 1 1 A 50 50 TRP H H 65 6.564 7.877 -1.313 1 1 169 . 10 1 1 A 50 50 TRP CA C 65 54.246 66.484 -12.238 1 1 170 . 10 1 1 A 50 50 TRP CB C 65 29.500 69.110 -39.610 1 1 171 . 10 1 1 A 50 50 TRP N N 65 115.717 116.756 -1.039 1 1 173 . 10 1 1 A 51 51 CYS H H 66 6.689 8.066 -1.377 1 1 174 . 10 1 1 A 51 51 CYS CA C 66 60.195 59.177 1.018 1 1 175 . 10 1 1 A 51 51 CYS CB C 66 30.909 29.287 1.622 1 1 176 . 10 1 1 A 51 51 CYS N N 66 125.894 119.241 6.653 1 1 177 . 10 1 1 A 52 52 GLY H H 67 9.301 7.993 1.308 1 1 178 . 10 1 1 A 52 52 GLY CA C 67 47.510 63.441 -15.931 1 1 179 . 10 1 1 A 52 52 GLY N N 67 119.542 122.020 -2.478 1 1 180 . 10 1 1 A 53 53 ALA H H 68 9.861 8.385 1.476 1 1 181 . 10 1 1 A 53 53 ALA CA C 68 55.404 61.441 -6.037 1 1 182 . 10 1 1 A 53 53 ALA CB C 68 18.521 62.453 -43.932 1 1 183 . 10 1 1 A 53 53 ALA N N 68 133.080 115.967 17.113 1 1 184 . 10 1 1 A 54 54 CYS H H 69 9.891 7.500 2.391 1 1 185 . 10 1 1 A 54 54 CYS CA C 69 64.497 59.011 5.486 1 1 186 . 10 1 1 A 54 54 CYS CB C 69 29.057 30.099 -1.042 1 1 187 . 10 1 1 A 54 54 CYS N N 69 127.404 122.453 4.951 1 1 188 . 10 1 1 A 55 55 LYS H H 70 8.059 8.202 -0.143 1 1 189 . 10 1 1 A 55 55 LYS CA C 70 59.840 57.605 2.235 1 1 190 . 10 1 1 A 55 55 LYS CB C 70 32.942 41.045 -8.103 1 1 191 . 10 1 1 A 55 55 LYS N N 70 118.141 120.810 -2.669 1 1 192 . 10 1 1 A 56 56 ALA H H 71 7.517 8.185 -0.668 1 1 193 . 10 1 1 A 56 56 ALA CA C 71 53.989 61.383 -7.394 1 1 194 . 10 1 1 A 56 56 ALA CB C 71 18.501 63.132 -44.631 1 1 195 . 10 1 1 A 56 56 ALA N N 71 118.540 114.658 3.882 1 1 196 . 10 1 1 A 57 57 LEU H H 72 7.351 7.733 -0.382 1 1 197 . 10 1 1 A 57 57 LEU CA C 72 56.998 58.657 -1.659 1 1 198 . 10 1 1 A 57 57 LEU CB C 72 42.256 29.212 13.044 1 1 199 . 10 1 1 A 57 57 LEU N N 72 117.293 118.931 -1.638 1 1 200 . 10 1 1 A 58 58 LYS H H 73 7.101 8.634 -1.533 1 1 201 . 10 1 1 A 58 58 LYS CA C 73 62.302 55.349 6.953 1 1 202 . 10 1 1 A 58 58 LYS CB C 73 30.098 38.584 -8.486 1 1 203 . 10 1 1 A 58 58 LYS N N 73 115.956 115.447 0.509 1 1 204 . 10 1 1 A 59 59 PRO CA C 74 65.581 56.405 9.176 1 1 205 . 10 1 1 A 59 59 PRO CB C 74 30.726 43.545 -12.819 1 1 206 . 10 1 1 A 60 60 LYS H H 75 6.694 8.506 -1.812 1 1 207 . 10 1 1 A 60 60 LYS CA C 75 58.353 59.683 -1.330 1 1 208 . 10 1 1 A 60 60 LYS CB C 75 32.606 33.995 -1.389 1 1 209 . 10 1 1 A 60 60 LYS N N 75 115.897 121.825 -5.928 1 1 210 . 10 1 1 A 61 61 PHE H H 76 8.285 8.521 -0.236 1 1 211 . 10 1 1 A 61 61 PHE CA C 76 60.241 55.565 4.676 1 1 212 . 10 1 1 A 61 61 PHE CB C 76 41.785 32.282 9.503 1 1 213 . 10 1 1 A 61 61 PHE N N 76 120.489 125.568 -5.079 1 1 214 . 10 1 1 A 62 62 ALA H H 77 9.036 7.904 1.132 1 1 215 . 10 1 1 A 62 62 ALA CA C 77 55.215 61.541 -6.326 1 1 216 . 10 1 1 A 62 62 ALA CB C 77 19.141 32.311 -13.170 1 1 217 . 10 1 1 A 62 62 ALA N N 77 119.890 124.843 -4.953 1 1 218 . 10 1 1 A 63 63 GLU H H 78 7.541 9.002 -1.461 1 1 219 . 10 1 1 A 63 63 GLU CA C 78 55.965 52.367 3.598 1 1 220 . 10 1 1 A 63 63 GLU CB C 78 29.630 39.477 -9.847 1 1 221 . 10 1 1 A 63 63 GLU N N 78 111.511 125.718 -14.207 1 1 222 . 10 1 1 A 64 64 SER H H 79 6.861 8.652 -1.791 1 1 223 . 10 1 1 A 64 64 SER CA C 79 57.323 53.559 3.764 1 1 224 . 10 1 1 A 64 64 SER CB C 79 63.306 43.554 19.752 1 1 225 . 10 1 1 A 64 64 SER N N 79 111.856 127.636 -15.780 1 1 226 . 10 1 1 A 65 65 THR H H 80 9.169 8.283 0.886 1 1 227 . 10 1 1 A 65 65 THR CA C 80 65.335 54.800 10.535 1 1 228 . 10 1 1 A 65 65 THR CB C 80 68.216 32.009 36.207 1 1 229 . 10 1 1 A 65 65 THR N N 80 129.658 121.968 7.690 1 1 230 . 10 1 1 A 66 66 GLU H H 81 8.354 8.884 -0.530 1 1 231 . 10 1 1 A 66 66 GLU CA C 81 60.236 57.073 3.163 1 1 232 . 10 1 1 A 66 66 GLU CB C 81 30.136 39.794 -9.658 1 1 233 . 10 1 1 A 66 66 GLU N N 81 123.573 121.404 2.169 1 1 234 . 10 1 1 A 67 67 ILE H H 82 7.922 8.958 -1.036 1 1 235 . 10 1 1 A 67 67 ILE CA C 82 66.084 58.732 7.352 1 1 236 . 10 1 1 A 67 67 ILE CB C 82 37.806 29.059 8.747 1 1 237 . 10 1 1 A 67 67 ILE N N 82 119.503 117.887 1.616 1 1 238 . 10 1 1 A 68 68 SER H H 83 7.214 7.516 -0.302 1 1 239 . 10 1 1 A 68 68 SER CA C 83 63.512 54.993 8.519 1 1 240 . 10 1 1 A 68 68 SER CB C 83 62.330 29.693 32.637 1 1 241 . 10 1 1 A 68 68 SER N N 83 112.464 119.933 -7.469 1 1 242 . 10 1 1 A 69 69 GLU H H 84 8.224 8.415 -0.191 1 1 243 . 10 1 1 A 69 69 GLU CA C 84 59.597 54.434 5.163 1 1 244 . 10 1 1 A 69 69 GLU CB C 84 29.640 29.858 -0.218 1 1 245 . 10 1 1 A 69 69 GLU N N 84 120.267 122.803 -2.536 1 1 247 . 10 1 1 A 70 70 LEU CA C 85 57.423 64.014 -6.591 1 1 248 . 10 1 1 A 70 70 LEU CB C 85 42.942 31.952 10.990 1 1 249 . 10 1 1 A 70 70 LEU N N 85 119.797 138.170 -18.373 1 1 250 . 10 1 1 A 71 71 SER H H 86 8.580 7.718 0.862 1 1 251 . 10 1 1 A 71 71 SER CA C 86 62.310 57.313 4.997 1 1 252 . 10 1 1 A 71 71 SER CB C 86 62.306 29.299 33.007 1 1 253 . 10 1 1 A 71 71 SER N N 86 114.965 116.458 -1.493 1 1 254 . 10 1 1 A 72 72 HIS H H 87 7.189 7.383 -0.194 1 1 255 . 10 1 1 A 72 72 HIS CA C 87 57.593 52.339 5.254 1 1 256 . 10 1 1 A 72 72 HIS CB C 87 28.816 45.080 -16.264 1 1 257 . 10 1 1 A 72 72 HIS N N 87 119.159 116.674 2.485 1 1 258 . 10 1 1 A 73 73 ASN H H 88 8.148 9.071 -0.923 1 1 261 . 10 1 1 A 73 73 ASN CA C 88 52.994 59.094 -6.100 1 1 262 . 10 1 1 A 73 73 ASN CB C 88 38.894 29.418 9.476 1 1 263 . 10 1 1 A 73 73 ASN N N 88 116.602 121.590 -4.988 1 1 265 . 10 1 1 A 74 74 PHE H H 89 7.623 8.171 -0.548 1 1 266 . 10 1 1 A 74 74 PHE CA C 89 56.882 57.404 -0.522 1 1 267 . 10 1 1 A 74 74 PHE CB C 89 44.873 40.455 4.418 1 1 268 . 10 1 1 A 74 74 PHE N N 89 114.645 119.421 -4.776 1 1 269 . 10 1 1 A 75 75 VAL H H 90 8.952 7.762 1.190 1 1 270 . 10 1 1 A 75 75 VAL CA C 90 63.301 57.976 5.325 1 1 271 . 10 1 1 A 75 75 VAL CB C 90 31.213 38.690 -7.477 1 1 272 . 10 1 1 A 75 75 VAL N N 90 120.004 115.690 4.314 1 1 273 . 10 1 1 A 76 76 MET H H 91 7.486 8.800 -1.314 1 1 274 . 10 1 1 A 76 76 MET CA C 91 53.528 55.325 -1.797 1 1 275 . 10 1 1 A 76 76 MET CB C 91 30.717 62.433 -31.716 1 1 276 . 10 1 1 A 76 76 MET N N 91 129.189 115.442 13.747 1 1 278 . 10 1 1 A 77 77 VAL CA C 92 60.953 62.384 -1.431 1 1 279 . 10 1 1 A 77 77 VAL CB C 92 37.090 29.290 7.800 1 1 280 . 10 1 1 A 77 77 VAL N N 92 122.955 135.839 -12.884 1 1 281 . 10 1 1 A 78 78 ASN H H 93 10.248 8.009 2.239 1 1 283 . 10 1 1 A 78 78 ASN CA C 93 52.125 54.680 -2.555 1 1 284 . 10 1 1 A 78 78 ASN CB C 93 41.857 42.384 -0.527 1 1 285 . 10 1 1 A 78 78 ASN N N 93 126.507 118.940 7.567 1 1 287 . 10 1 1 A 79 79 LEU H H 94 9.104 7.863 1.241 1 1 288 . 10 1 1 A 79 79 LEU CA C 94 52.410 44.781 7.629 1 1 290 . 10 1 1 A 79 79 LEU N N 94 123.073 107.904 15.169 1 1 291 . 10 1 1 A 80 80 GLU H H 95 9.161 7.991 1.170 1 1 292 . 10 1 1 A 80 80 GLU CA C 95 53.391 45.364 8.027 1 1 294 . 10 1 1 A 80 80 GLU N N 95 125.765 110.878 14.887 1 1 295 . 10 1 1 A 81 81 ASP H H 96 8.107 7.165 0.942 1 1 296 . 10 1 1 A 81 81 ASP CA C 96 57.563 57.966 -0.403 1 1 297 . 10 1 1 A 81 81 ASP CB C 96 38.605 39.823 -1.218 1 1 298 . 10 1 1 A 81 81 ASP N N 96 126.380 118.755 7.625 1 1 299 . 10 1 1 A 82 82 GLU H H 97 8.836 8.745 0.091 1 1 300 . 10 1 1 A 82 82 GLU CA C 97 58.555 57.365 1.190 1 1 301 . 10 1 1 A 82 82 GLU CB C 97 28.422 40.342 -11.920 1 1 302 . 10 1 1 A 82 82 GLU N N 97 123.966 114.222 9.744 1 1 304 . 10 1 1 A 83 83 GLU CA C 98 56.619 62.298 -5.679 1 1 305 . 10 1 1 A 83 83 GLU CB C 98 30.722 32.898 -2.176 1 1 306 . 10 1 1 A 83 83 GLU N N 98 118.069 143.832 -25.763 1 1 307 . 10 1 1 A 84 84 GLU H H 99 7.298 8.131 -0.833 1 1 308 . 10 1 1 A 84 84 GLU CA C 99 54.482 54.181 0.301 1 1 309 . 10 1 1 A 84 84 GLU CB C 99 29.535 33.484 -3.949 1 1 310 . 10 1 1 A 84 84 GLU N N 99 119.571 121.223 -1.652 1 1 311 . 10 1 1 A 85 85 PRO CA C 100 62.512 59.250 3.262 1 1 312 . 10 1 1 A 85 85 PRO CB C 100 32.805 39.782 -6.977 1 1 313 . 10 1 1 A 86 86 LYS H H 101 8.640 8.210 0.430 1 1 314 . 10 1 1 A 86 86 LYS CA C 101 55.615 53.857 1.758 1 1 315 . 10 1 1 A 86 86 LYS CB C 101 31.117 45.449 -14.332 1 1 316 . 10 1 1 A 86 86 LYS N N 101 122.999 121.297 1.702 1 1 317 . 10 1 1 A 87 87 ASP H H 102 7.395 8.160 -0.765 1 1 318 . 10 1 1 A 87 87 ASP CA C 102 54.233 57.325 -3.092 1 1 319 . 10 1 1 A 87 87 ASP CB C 102 42.084 41.321 0.763 1 1 320 . 10 1 1 A 87 87 ASP N N 102 119.006 119.862 -0.856 1 1 321 . 10 1 1 A 88 88 GLU H H 103 9.217 8.475 0.742 1 1 322 . 10 1 1 A 88 88 GLU CA C 103 58.996 53.606 5.390 1 1 323 . 10 1 1 A 88 88 GLU CB C 103 29.226 45.382 -16.156 1 1 324 . 10 1 1 A 88 88 GLU N N 103 127.412 117.627 9.785 1 1 325 . 10 1 1 A 89 89 ASP H H 104 9.043 8.183 0.860 1 1 326 . 10 1 1 A 89 89 ASP CA C 104 56.138 52.170 3.968 1 1 327 . 10 1 1 A 89 89 ASP CB C 104 39.487 40.591 -1.104 1 1 328 . 10 1 1 A 89 89 ASP N N 104 121.056 118.836 2.220 1 1 330 . 10 1 1 A 90 90 PHE CA C 105 58.124 63.529 -5.405 1 1 331 . 10 1 1 A 90 90 PHE CB C 105 38.909 31.181 7.728 1 1 332 . 10 1 1 A 90 90 PHE N N 105 111.473 138.180 -26.707 1 1 333 . 10 1 1 A 91 91 SER H H 106 7.907 8.305 -0.398 1 1 334 . 10 1 1 A 91 91 SER CA C 106 55.565 58.353 -2.788 1 1 335 . 10 1 1 A 91 91 SER CB C 106 63.139 65.915 -2.776 1 1 336 . 10 1 1 A 91 91 SER N N 106 115.544 115.042 0.502 1 1 337 . 10 1 1 A 92 92 PRO CA C 107 65.329 45.451 19.878 1 1 339 . 10 1 1 A 93 93 ASP H H 108 9.095 7.446 1.649 1 1 340 . 10 1 1 A 93 93 ASP CA C 108 52.726 55.031 -2.305 1 1 341 . 10 1 1 A 93 93 ASP CB C 108 40.551 33.133 7.418 1 1 342 . 10 1 1 A 93 93 ASP N N 108 115.482 119.855 -4.373 1 1 343 . 10 1 1 A 94 94 GLY H H 109 6.947 8.080 -1.133 1 1 344 . 10 1 1 A 94 94 GLY CA C 109 44.385 63.744 -19.359 1 1 345 . 10 1 1 A 94 94 GLY N N 109 106.691 123.637 -16.946 1 1 346 . 10 1 1 A 95 95 GLY H H 110 8.423 8.156 0.267 1 1 347 . 10 1 1 A 95 95 GLY CA C 110 45.873 54.152 -8.279 1 1 348 . 10 1 1 A 95 95 GLY N N 110 107.178 126.266 -19.088 1 1 350 . 10 1 1 A 96 96 TYR CA C 111 55.619 63.312 -7.693 1 1 351 . 10 1 1 A 96 96 TYR CB C 111 38.312 30.371 7.941 1 1 352 . 10 1 1 A 96 96 TYR N N 111 116.246 140.508 -24.262 1 1 353 . 10 1 1 A 97 97 ILE H H 112 7.878 9.187 -1.309 1 1 354 . 10 1 1 A 97 97 ILE CA C 112 58.650 57.814 0.836 1 1 355 . 10 1 1 A 97 97 ILE N N 112 113.713 120.155 -6.442 1 1 356 . 10 1 1 A 98 98 PRO CA C 113 62.337 60.480 1.857 1 1 357 . 10 1 1 A 98 98 PRO CB C 113 34.315 39.800 -5.485 1 1 358 . 10 1 1 A 99 99 ARG H H 114 8.514 9.053 -0.539 1 1 359 . 10 1 1 A 99 99 ARG CA C 114 54.460 59.445 -4.985 1 1 360 . 10 1 1 A 99 99 ARG CB C 114 34.399 39.023 -4.624 1 1 361 . 10 1 1 A 99 99 ARG N N 114 117.550 121.466 -3.916 1 1 362 . 10 1 1 A 100 100 ILE H H 115 8.819 8.525 0.294 1 1 363 . 10 1 1 A 100 100 ILE CA C 115 60.937 51.633 9.304 1 1 364 . 10 1 1 A 100 100 ILE CB C 115 39.021 36.933 2.088 1 1 365 . 10 1 1 A 100 100 ILE N N 115 122.056 120.134 1.922 1 1 366 . 10 1 1 A 101 101 LEU H H 116 8.692 8.197 0.495 1 1 367 . 10 1 1 A 101 101 LEU CA C 116 52.377 59.469 -7.092 1 1 368 . 10 1 1 A 101 101 LEU CB C 116 46.493 29.459 17.034 1 1 369 . 10 1 1 A 101 101 LEU N N 116 127.243 125.789 1.454 1 1 370 . 10 1 1 A 102 102 PHE H H 117 9.004 7.955 1.049 1 1 371 . 10 1 1 A 102 102 PHE CA C 117 57.076 55.423 1.653 1 1 372 . 10 1 1 A 102 102 PHE CB C 117 42.048 38.711 3.337 1 1 373 . 10 1 1 A 102 102 PHE N N 117 116.784 116.371 0.413 1 1 374 . 10 1 1 A 103 103 LEU H H 118 9.303 8.000 1.303 1 1 375 . 10 1 1 A 103 103 LEU CA C 118 53.487 44.308 9.179 1 1 377 . 10 1 1 A 103 103 LEU N N 118 124.741 107.710 17.031 1 1 378 . 10 1 1 A 104 104 ASP H H 119 8.351 8.011 0.340 1 1 379 . 10 1 1 A 104 104 ASP CA C 119 52.555 51.346 1.209 1 1 380 . 10 1 1 A 104 104 ASP CB C 119 39.406 37.669 1.737 1 1 381 . 10 1 1 A 104 104 ASP N N 119 117.539 117.404 0.135 1 1 382 . 10 1 1 A 105 105 PRO CA C 120 65.106 62.979 2.127 1 1 383 . 10 1 1 A 105 105 PRO CB C 120 31.459 30.248 1.211 1 1 384 . 10 1 1 A 106 106 SER H H 121 8.229 8.182 0.047 1 1 385 . 10 1 1 A 106 106 SER CA C 121 58.891 57.603 1.288 1 1 386 . 10 1 1 A 106 106 SER CB C 121 64.061 65.249 -1.188 1 1 387 . 10 1 1 A 106 106 SER N N 121 111.546 116.206 -4.660 1 1 388 . 10 1 1 A 107 107 GLY H H 122 8.970 7.196 1.774 1 1 389 . 10 1 1 A 107 107 GLY CA C 122 45.417 57.448 -12.031 1 1 390 . 10 1 1 A 107 107 GLY N N 122 111.616 115.951 -4.335 1 1 391 . 10 1 1 A 108 108 LYS H H 123 7.405 7.451 -0.046 1 1 392 . 10 1 1 A 108 108 LYS CA C 123 54.729 58.552 -3.823 1 1 393 . 10 1 1 A 108 108 LYS CB C 123 32.929 31.113 1.816 1 1 394 . 10 1 1 A 108 108 LYS N N 123 120.930 114.821 6.109 1 1 395 . 10 1 1 A 109 109 VAL H H 124 8.875 8.801 0.074 1 1 396 . 10 1 1 A 109 109 VAL CA C 124 64.103 60.229 3.874 1 1 397 . 10 1 1 A 109 109 VAL CB C 124 32.249 37.855 -5.606 1 1 398 . 10 1 1 A 109 109 VAL N N 124 126.925 119.873 7.052 1 1 399 . 10 1 1 A 110 110 HIS H H 125 8.911 7.803 1.108 1 1 400 . 10 1 1 A 110 110 HIS CA C 125 54.469 58.646 -4.177 1 1 401 . 10 1 1 A 110 110 HIS CB C 125 28.893 39.124 -10.231 1 1 402 . 10 1 1 A 110 110 HIS N N 125 127.112 121.229 5.883 1 1 403 . 10 1 1 A 111 111 PRO CA C 126 63.311 56.627 6.684 1 1 404 . 10 1 1 A 111 111 PRO CB C 126 32.232 39.916 -7.684 1 1 405 . 10 1 1 A 112 112 GLU H H 127 10.959 8.765 2.194 1 1 406 . 10 1 1 A 112 112 GLU CA C 127 57.439 60.585 -3.146 1 1 407 . 10 1 1 A 112 112 GLU CB C 127 27.174 31.411 -4.237 1 1 408 . 10 1 1 A 112 112 GLU N N 127 123.144 118.892 4.252 1 1 409 . 10 1 1 A 113 113 ILE H H 128 7.493 8.116 -0.623 1 1 410 . 10 1 1 A 113 113 ILE CA C 128 61.518 57.570 3.948 1 1 411 . 10 1 1 A 113 113 ILE CB C 128 35.365 66.032 -30.667 1 1 412 . 10 1 1 A 113 113 ILE N N 128 123.479 117.337 6.142 1 1 413 . 10 1 1 A 114 114 ILE H H 129 8.300 9.118 -0.818 1 1 414 . 10 1 1 A 114 114 ILE CA C 129 59.109 55.331 3.778 1 1 415 . 10 1 1 A 114 114 ILE CB C 129 42.309 18.146 24.163 1 1 416 . 10 1 1 A 114 114 ILE N N 129 123.439 129.852 -6.413 1 1 417 . 10 1 1 A 115 115 ASN H H 130 8.622 8.584 0.038 1 1 420 . 10 1 1 A 115 115 ASN CA C 130 51.381 60.158 -8.777 1 1 421 . 10 1 1 A 115 115 ASN CB C 130 35.215 29.293 5.922 1 1 422 . 10 1 1 A 115 115 ASN N N 130 114.712 117.983 -3.271 1 1 424 . 10 1 1 A 116 116 GLU H H 131 8.463 7.790 0.673 1 1 425 . 10 1 1 A 116 116 GLU CA C 131 58.882 58.417 0.465 1 1 426 . 10 1 1 A 116 116 GLU CB C 131 29.606 29.088 0.518 1 1 427 . 10 1 1 A 116 116 GLU N N 131 127.900 118.551 9.349 1 1 428 . 10 1 1 A 117 117 ASN H H 132 7.545 7.626 -0.081 1 1 431 . 10 1 1 A 117 117 ASN CA C 132 52.960 65.765 -12.805 1 1 432 . 10 1 1 A 117 117 ASN CB C 132 39.777 31.518 8.259 1 1 433 . 10 1 1 A 117 117 ASN N N 132 113.958 116.414 -2.456 1 1 435 . 10 1 1 A 118 118 GLY H H 133 7.109 7.815 -0.706 1 1 436 . 10 1 1 A 118 118 GLY CA C 133 44.662 64.747 -20.085 1 1 437 . 10 1 1 A 118 118 GLY N N 133 107.288 122.320 -15.032 1 1 438 . 10 1 1 A 119 119 ASN H H 134 8.795 8.386 0.409 1 1 441 . 10 1 1 A 119 119 ASN CA C 134 50.277 58.925 -8.648 1 1 442 . 10 1 1 A 119 119 ASN CB C 134 40.102 28.692 11.410 1 1 443 . 10 1 1 A 119 119 ASN N N 134 122.889 121.655 1.234 1 1 445 . 10 1 1 A 120 120 PRO CA C 135 64.320 46.817 17.503 1 1 447 . 10 1 1 A 121 121 SER H H 136 8.260 7.705 0.555 1 1 448 . 10 1 1 A 121 121 SER CA C 136 60.199 57.659 2.540 1 1 449 . 10 1 1 A 121 121 SER CB C 136 63.228 32.116 31.112 1 1 450 . 10 1 1 A 121 121 SER N N 136 113.554 119.463 -5.909 1 1 451 . 10 1 1 A 122 122 TYR H H 137 7.580 8.206 -0.626 1 1 452 . 10 1 1 A 122 122 TYR CA C 137 54.584 58.789 -4.205 1 1 453 . 10 1 1 A 122 122 TYR CB C 137 38.872 32.295 6.577 1 1 454 . 10 1 1 A 122 122 TYR N N 137 119.864 119.760 0.104 1 1 455 . 10 1 1 A 123 123 LYS H H 138 9.556 7.685 1.871 1 1 456 . 10 1 1 A 123 123 LYS CA C 138 60.415 58.821 1.594 1 1 457 . 10 1 1 A 123 123 LYS CB C 138 31.945 30.207 1.738 1 1 458 . 10 1 1 A 123 123 LYS N N 138 123.955 119.908 4.047 1 1 459 . 10 1 1 A 124 124 TYR H H 139 8.486 7.707 0.779 1 1 460 . 10 1 1 A 124 124 TYR CA C 139 56.009 54.564 1.445 1 1 461 . 10 1 1 A 124 124 TYR CB C 139 37.666 18.142 19.524 1 1 462 . 10 1 1 A 124 124 TYR N N 139 113.738 121.478 -7.740 1 1 463 . 10 1 1 A 125 125 PHE H H 140 7.562 7.953 -0.391 1 1 464 . 10 1 1 A 125 125 PHE CA C 140 56.561 58.069 -1.508 1 1 465 . 10 1 1 A 125 125 PHE CB C 140 40.897 28.595 12.302 1 1 466 . 10 1 1 A 125 125 PHE N N 140 122.592 117.911 4.681 1 1 467 . 10 1 1 A 126 126 TYR H H 141 8.133 7.963 0.170 1 1 468 . 10 1 1 A 126 126 TYR CA C 141 57.326 58.270 -0.944 1 1 469 . 10 1 1 A 126 126 TYR CB C 141 41.768 30.175 11.593 1 1 470 . 10 1 1 A 126 126 TYR N N 141 129.225 119.928 9.297 1 1 471 . 10 1 1 A 127 127 VAL H H 142 8.081 7.993 0.088 1 1 472 . 10 1 1 A 127 127 VAL CA C 142 61.414 57.881 3.533 1 1 473 . 10 1 1 A 127 127 VAL CB C 142 34.245 31.213 3.032 1 1 474 . 10 1 1 A 127 127 VAL N N 142 112.892 119.310 -6.418 1 1 475 . 10 1 1 A 128 128 SER H H 143 7.362 8.236 -0.874 1 1 476 . 10 1 1 A 128 128 SER CA C 143 55.028 57.841 -2.813 1 1 477 . 10 1 1 A 128 128 SER CB C 143 67.261 41.882 25.379 1 1 478 . 10 1 1 A 128 128 SER N N 143 112.848 119.766 -6.918 1 1 479 . 10 1 1 A 129 129 ALA H H 144 9.331 8.119 1.212 1 1 480 . 10 1 1 A 129 129 ALA CA C 144 55.568 65.136 -9.568 1 1 481 . 10 1 1 A 129 129 ALA CB C 144 18.005 68.248 -50.243 1 1 482 . 10 1 1 A 129 129 ALA N N 144 124.250 111.207 13.043 1 1 483 . 10 1 1 A 130 130 GLU H H 145 9.152 8.143 1.009 1 1 484 . 10 1 1 A 130 130 GLU CA C 145 60.626 46.158 14.468 1 1 486 . 10 1 1 A 130 130 GLU N N 145 116.980 110.132 6.848 1 1 487 . 10 1 1 A 131 131 GLN H H 146 7.621 8.020 -0.399 1 1 490 . 10 1 1 A 131 131 GLN CA C 146 58.552 53.194 5.358 1 1 491 . 10 1 1 A 131 131 GLN CB C 146 29.038 41.590 -12.552 1 1 492 . 10 1 1 A 131 131 GLN N N 146 117.565 118.588 -1.023 1 1 494 . 10 1 1 A 132 132 VAL H H 147 7.780 8.276 -0.496 1 1 495 . 10 1 1 A 132 132 VAL CA C 147 66.928 51.984 14.944 1 1 496 . 10 1 1 A 132 132 VAL CB C 147 31.324 19.020 12.304 1 1 497 . 10 1 1 A 132 132 VAL N N 147 121.486 121.944 -0.458 1 1 498 . 10 1 1 A 133 133 VAL H H 148 8.609 7.549 1.060 1 1 499 . 10 1 1 A 133 133 VAL CA C 148 67.053 57.416 9.637 1 1 500 . 10 1 1 A 133 133 VAL CB C 148 31.927 40.408 -8.481 1 1 501 . 10 1 1 A 133 133 VAL N N 148 119.560 113.474 6.086 1 1 502 . 10 1 1 A 134 134 GLN H H 149 7.365 6.669 0.696 1 1 505 . 10 1 1 A 134 134 GLN CA C 149 59.382 56.343 3.039 1 1 506 . 10 1 1 A 134 134 GLN CB C 149 27.860 30.750 -2.890 1 1 507 . 10 1 1 A 134 134 GLN N N 149 117.080 120.656 -3.576 1 1 509 . 10 1 1 A 135 135 GLY H H 150 8.085 8.344 -0.259 1 1 510 . 10 1 1 A 135 135 GLY CA C 150 47.499 56.818 -9.319 1 1 511 . 10 1 1 A 135 135 GLY N N 150 107.849 118.239 -10.390 1 1 512 . 10 1 1 A 136 136 MET H H 151 8.593 7.323 1.270 1 1 513 . 10 1 1 A 136 136 MET CA C 151 59.730 55.913 3.817 1 1 514 . 10 1 1 A 136 136 MET CB C 151 35.435 33.425 2.010 1 1 515 . 10 1 1 A 136 136 MET N N 151 119.390 119.042 0.348 1 1 516 . 10 1 1 A 137 137 LYS H H 152 8.591 8.843 -0.252 1 1 517 . 10 1 1 A 137 137 LYS CA C 152 60.659 54.375 6.284 1 1 518 . 10 1 1 A 137 137 LYS CB C 152 32.617 30.755 1.862 1 1 519 . 10 1 1 A 137 137 LYS N N 152 119.226 115.561 3.665 1 1 520 . 10 1 1 A 138 138 GLU H H 153 7.870 8.680 -0.810 1 1 521 . 10 1 1 A 138 138 GLU CA C 153 59.134 58.097 1.037 1 1 522 . 10 1 1 A 138 138 GLU CB C 153 28.879 41.725 -12.846 1 1 523 . 10 1 1 A 138 138 GLU N N 153 120.709 124.841 -4.132 1 1 524 . 10 1 1 A 139 139 ALA H H 154 8.493 8.159 0.334 1 1 525 . 10 1 1 A 139 139 ALA CA C 154 55.450 57.820 -2.370 1 1 526 . 10 1 1 A 139 139 ALA CB C 154 18.695 28.646 -9.951 1 1 527 . 10 1 1 A 139 139 ALA N N 154 120.598 118.608 1.990 1 1 528 . 10 1 1 A 140 140 GLN H H 155 8.582 7.807 0.775 1 1 531 . 10 1 1 A 140 140 GLN CA C 155 59.239 53.260 5.979 1 1 532 . 10 1 1 A 140 140 GLN CB C 155 28.027 44.686 -16.659 1 1 533 . 10 1 1 A 140 140 GLN N N 155 116.438 118.589 -2.151 1 1 535 . 10 1 1 A 141 141 GLU H H 156 7.563 8.800 -1.237 1 1 536 . 10 1 1 A 141 141 GLU CA C 156 58.896 55.831 3.065 1 1 537 . 10 1 1 A 141 141 GLU CB C 156 29.885 30.614 -0.729 1 1 538 . 10 1 1 A 141 141 GLU N N 156 118.759 122.334 -3.575 1 1 1 . 11 1 1 A 7 7 HIS CA C 22 56.307 54.121 2.186 1 1 2 . 11 1 1 A 7 7 HIS CB C 22 30.341 31.221 -0.880 1 1 3 . 11 1 1 A 8 8 MET H H 23 8.449 8.369 0.080 1 1 4 . 11 1 1 A 8 8 MET CA C 23 55.742 61.619 -5.877 1 1 5 . 11 1 1 A 8 8 MET CB C 23 32.842 39.311 -6.469 1 1 6 . 11 1 1 A 8 8 MET N N 23 122.176 123.025 -0.849 1 1 7 . 11 1 1 A 9 9 SER H H 24 8.428 6.710 1.718 1 1 8 . 11 1 1 A 9 9 SER CA C 24 58.412 53.961 4.451 1 1 9 . 11 1 1 A 9 9 SER CB C 24 63.900 27.494 36.406 1 1 10 . 11 1 1 A 9 9 SER N N 24 116.789 117.803 -1.014 1 1 11 . 11 1 1 A 10 10 ASP H H 25 8.382 7.141 1.241 1 1 12 . 11 1 1 A 10 10 ASP CA C 25 54.487 56.563 -2.076 1 1 13 . 11 1 1 A 10 10 ASP CB C 25 41.285 30.916 10.369 1 1 14 . 11 1 1 A 10 10 ASP N N 25 122.384 118.234 4.150 1 1 15 . 11 1 1 A 11 11 GLY H H 26 8.363 7.549 0.814 1 1 16 . 11 1 1 A 11 11 GLY CA C 26 45.546 58.601 -13.055 1 1 17 . 11 1 1 A 11 11 GLY N N 26 108.671 121.186 -12.515 1 1 18 . 11 1 1 A 12 12 HIS H H 27 8.350 7.425 0.925 1 1 19 . 11 1 1 A 12 12 HIS CA C 27 56.103 62.976 -6.873 1 1 20 . 11 1 1 A 12 12 HIS CB C 27 29.813 68.718 -38.905 1 1 21 . 11 1 1 A 12 12 HIS N N 27 118.814 112.035 6.779 1 1 22 . 11 1 1 A 13 13 ASN H H 28 8.505 8.947 -0.442 1 1 25 . 11 1 1 A 13 13 ASN CA C 28 53.482 58.429 -4.947 1 1 26 . 11 1 1 A 13 13 ASN CB C 28 39.386 41.653 -2.267 1 1 27 . 11 1 1 A 13 13 ASN N N 28 119.523 125.914 -6.391 1 1 29 . 11 1 1 A 14 14 GLY H H 29 8.743 8.447 0.296 1 1 30 . 11 1 1 A 14 14 GLY CA C 29 45.534 59.691 -14.157 1 1 31 . 11 1 1 A 14 14 GLY N N 29 110.136 120.092 -9.956 1 1 32 . 11 1 1 A 15 15 LEU H H 30 8.466 8.144 0.322 1 1 33 . 11 1 1 A 15 15 LEU CA C 30 56.146 56.850 -0.704 1 1 34 . 11 1 1 A 15 15 LEU CB C 30 42.864 40.411 2.453 1 1 35 . 11 1 1 A 15 15 LEU N N 30 120.511 118.925 1.586 1 1 36 . 11 1 1 A 16 16 GLY H H 31 8.886 8.630 0.256 1 1 37 . 11 1 1 A 16 16 GLY CA C 31 47.064 47.167 -0.103 1 1 38 . 11 1 1 A 16 16 GLY N N 31 108.073 110.282 -2.209 1 1 39 . 11 1 1 A 17 17 LYS H H 32 7.854 8.478 -0.624 1 1 40 . 11 1 1 A 17 17 LYS CA C 32 55.661 59.238 -3.577 1 1 41 . 11 1 1 A 17 17 LYS CB C 32 29.379 32.500 -3.121 1 1 42 . 11 1 1 A 17 17 LYS N N 32 110.952 122.126 -11.174 1 1 43 . 11 1 1 A 18 18 GLY H H 33 8.095 7.572 0.523 1 1 44 . 11 1 1 A 18 18 GLY CA C 33 44.893 59.226 -14.333 1 1 45 . 11 1 1 A 18 18 GLY N N 33 103.957 118.890 -14.933 1 1 46 . 11 1 1 A 19 19 PHE H H 34 7.887 7.665 0.222 1 1 47 . 11 1 1 A 19 19 PHE CA C 34 61.146 58.837 2.309 1 1 48 . 11 1 1 A 19 19 PHE CB C 34 38.963 29.524 9.439 1 1 49 . 11 1 1 A 19 19 PHE N N 34 117.883 118.695 -0.812 1 1 50 . 11 1 1 A 20 20 GLY H H 35 7.696 8.418 -0.722 1 1 51 . 11 1 1 A 20 20 GLY CA C 35 45.189 54.682 -9.493 1 1 52 . 11 1 1 A 20 20 GLY N N 35 102.668 122.039 -19.371 1 1 53 . 11 1 1 A 21 21 ASP H H 36 9.284 7.659 1.625 1 1 54 . 11 1 1 A 21 21 ASP CA C 36 56.026 54.992 1.034 1 1 55 . 11 1 1 A 21 21 ASP CB C 36 40.543 18.474 22.069 1 1 56 . 11 1 1 A 21 21 ASP N N 36 129.289 120.198 9.091 1 1 57 . 11 1 1 A 22 22 HIS H H 37 9.058 8.266 0.792 1 1 58 . 11 1 1 A 22 22 HIS CA C 37 56.628 55.269 1.359 1 1 59 . 11 1 1 A 22 22 HIS CB C 37 29.941 18.681 11.260 1 1 60 . 11 1 1 A 22 22 HIS N N 37 116.742 120.759 -4.017 1 1 61 . 11 1 1 A 23 23 ILE H H 38 6.449 7.433 -0.984 1 1 62 . 11 1 1 A 23 23 ILE CA C 38 59.183 59.518 -0.335 1 1 63 . 11 1 1 A 23 23 ILE CB C 38 39.408 63.417 -24.009 1 1 64 . 11 1 1 A 23 23 ILE N N 38 124.704 113.349 11.355 1 1 65 . 11 1 1 A 24 24 HIS H H 39 7.857 8.610 -0.753 1 1 66 . 11 1 1 A 24 24 HIS CA C 39 52.931 46.296 6.635 1 1 68 . 11 1 1 A 24 24 HIS N N 39 124.600 109.615 14.985 1 1 69 . 11 1 1 A 25 25 TRP H H 40 8.032 7.373 0.659 1 1 71 . 11 1 1 A 25 25 TRP CA C 40 57.058 51.803 5.255 1 1 72 . 11 1 1 A 25 25 TRP CB C 40 30.411 43.260 -12.849 1 1 73 . 11 1 1 A 25 25 TRP N N 40 130.002 117.071 12.931 1 1 76 . 11 1 1 A 26 26 ARG CA C 41 54.500 62.278 -7.778 1 1 77 . 11 1 1 A 26 26 ARG CB C 41 35.055 33.137 1.918 1 1 78 . 11 1 1 A 26 26 ARG N N 41 122.005 135.284 -13.279 1 1 79 . 11 1 1 A 27 27 THR H H 42 8.562 7.843 0.719 1 1 80 . 11 1 1 A 27 27 THR CA C 42 61.294 52.382 8.912 1 1 81 . 11 1 1 A 27 27 THR CB C 42 70.325 45.678 24.647 1 1 82 . 11 1 1 A 27 27 THR N N 42 111.261 116.180 -4.919 1 1 83 . 11 1 1 A 28 28 LEU H H 43 8.994 8.540 0.454 1 1 84 . 11 1 1 A 28 28 LEU CA C 43 59.121 53.429 5.692 1 1 85 . 11 1 1 A 28 28 LEU CB C 43 41.515 34.046 7.469 1 1 86 . 11 1 1 A 28 28 LEU N N 43 121.976 120.767 1.209 1 1 87 . 11 1 1 A 29 29 GLU H H 44 8.759 8.063 0.696 1 1 88 . 11 1 1 A 29 29 GLU CA C 44 59.928 61.093 -1.165 1 1 89 . 11 1 1 A 29 29 GLU CB C 44 29.342 35.072 -5.730 1 1 90 . 11 1 1 A 29 29 GLU N N 44 116.492 122.329 -5.837 1 1 91 . 11 1 1 A 30 30 ASP H H 45 7.692 9.250 -1.558 1 1 92 . 11 1 1 A 30 30 ASP CA C 45 57.131 60.039 -2.908 1 1 93 . 11 1 1 A 30 30 ASP CB C 45 40.093 39.699 0.394 1 1 94 . 11 1 1 A 30 30 ASP N N 45 119.105 127.095 -7.990 1 1 95 . 11 1 1 A 31 31 GLY H H 46 9.224 9.103 0.121 1 1 96 . 11 1 1 A 31 31 GLY CA C 46 47.426 59.833 -12.407 1 1 97 . 11 1 1 A 31 31 GLY N N 46 111.508 128.267 -16.759 1 1 98 . 11 1 1 A 32 32 LYS H H 47 8.691 8.657 0.034 1 1 99 . 11 1 1 A 32 32 LYS CA C 47 60.968 54.330 6.638 1 1 100 . 11 1 1 A 32 32 LYS CB C 47 32.534 31.692 0.842 1 1 101 . 11 1 1 A 32 32 LYS N N 47 121.519 123.936 -2.417 1 1 102 . 11 1 1 A 33 33 LYS H H 48 7.234 8.229 -0.995 1 1 103 . 11 1 1 A 33 33 LYS CA C 48 59.734 54.290 5.444 1 1 104 . 11 1 1 A 33 33 LYS CB C 48 32.349 35.733 -3.384 1 1 105 . 11 1 1 A 33 33 LYS N N 48 119.937 124.358 -4.421 1 1 106 . 11 1 1 A 34 34 GLU H H 49 8.179 8.592 -0.413 1 1 107 . 11 1 1 A 34 34 GLU CA C 49 58.911 60.274 -1.363 1 1 108 . 11 1 1 A 34 34 GLU CB C 49 29.393 62.044 -32.651 1 1 109 . 11 1 1 A 34 34 GLU N N 49 121.748 115.395 6.353 1 1 110 . 11 1 1 A 35 35 ALA H H 50 9.142 8.586 0.556 1 1 111 . 11 1 1 A 35 35 ALA CA C 50 56.068 60.524 -4.456 1 1 112 . 11 1 1 A 35 35 ALA CB C 50 19.504 28.691 -9.187 1 1 113 . 11 1 1 A 35 35 ALA N N 50 125.093 125.818 -0.725 1 1 114 . 11 1 1 A 36 36 ALA H H 51 7.548 7.179 0.369 1 1 115 . 11 1 1 A 36 36 ALA CA C 51 54.765 59.556 -4.791 1 1 116 . 11 1 1 A 36 36 ALA CB C 51 18.095 26.646 -8.551 1 1 117 . 11 1 1 A 36 36 ALA N N 51 118.057 118.319 -0.262 1 1 118 . 11 1 1 A 37 37 ALA H H 52 7.517 8.918 -1.401 1 1 119 . 11 1 1 A 37 37 ALA CA C 52 54.200 45.962 8.238 1 1 121 . 11 1 1 A 37 37 ALA N N 52 118.541 113.604 4.937 1 1 122 . 11 1 1 A 38 38 SER H H 53 8.330 8.236 0.094 1 1 123 . 11 1 1 A 38 38 SER CA C 53 59.095 53.888 5.207 1 1 124 . 11 1 1 A 38 38 SER CB C 53 65.540 17.985 47.555 1 1 125 . 11 1 1 A 38 38 SER N N 53 110.905 124.262 -13.357 1 1 126 . 11 1 1 A 39 39 GLY H H 54 8.454 7.424 1.030 1 1 127 . 11 1 1 A 39 39 GLY CA C 54 46.559 61.309 -14.750 1 1 128 . 11 1 1 A 39 39 GLY N N 54 112.427 115.569 -3.142 1 1 129 . 11 1 1 A 40 40 LEU H H 55 7.580 8.035 -0.455 1 1 130 . 11 1 1 A 40 40 LEU CA C 55 51.891 59.055 -7.164 1 1 131 . 11 1 1 A 40 40 LEU CB C 55 43.061 32.038 11.023 1 1 132 . 11 1 1 A 40 40 LEU N N 55 121.312 118.508 2.804 1 1 133 . 11 1 1 A 41 41 PRO CA C 56 61.426 54.080 7.346 1 1 134 . 11 1 1 A 41 41 PRO CB C 56 32.878 18.350 14.528 1 1 135 . 11 1 1 A 42 42 LEU H H 57 8.447 7.557 0.890 1 1 136 . 11 1 1 A 42 42 LEU CA C 57 55.025 57.214 -2.189 1 1 137 . 11 1 1 A 42 42 LEU CB C 57 44.360 41.650 2.710 1 1 138 . 11 1 1 A 42 42 LEU N N 57 116.186 118.283 -2.097 1 1 139 . 11 1 1 A 43 43 MET H H 58 8.610 7.739 0.871 1 1 140 . 11 1 1 A 43 43 MET CA C 58 54.951 59.659 -4.708 1 1 141 . 11 1 1 A 43 43 MET CB C 58 34.319 31.850 2.469 1 1 142 . 11 1 1 A 43 43 MET N N 58 124.827 118.397 6.430 1 1 144 . 11 1 1 A 44 44 VAL CA C 59 60.237 65.117 -4.880 1 1 145 . 11 1 1 A 44 44 VAL CB C 59 34.052 31.303 2.749 1 1 146 . 11 1 1 A 44 44 VAL N N 59 125.176 134.487 -9.311 1 1 147 . 11 1 1 A 45 45 ILE H H 60 8.512 7.817 0.695 1 1 148 . 11 1 1 A 45 45 ILE CA C 60 60.138 59.025 1.113 1 1 149 . 11 1 1 A 45 45 ILE CB C 60 40.622 33.004 7.618 1 1 150 . 11 1 1 A 45 45 ILE N N 60 125.614 117.894 7.720 1 1 151 . 11 1 1 A 46 46 ILE H H 61 9.528 8.753 0.775 1 1 152 . 11 1 1 A 46 46 ILE CA C 61 61.356 61.519 -0.163 1 1 153 . 11 1 1 A 46 46 ILE CB C 61 39.017 39.582 -0.565 1 1 154 . 11 1 1 A 46 46 ILE N N 61 130.237 120.942 9.295 1 1 155 . 11 1 1 A 47 47 HIS H H 62 8.926 7.969 0.957 1 1 156 . 11 1 1 A 47 47 HIS CA C 62 54.153 54.807 -0.654 1 1 157 . 11 1 1 A 47 47 HIS CB C 62 35.638 18.319 17.319 1 1 158 . 11 1 1 A 47 47 HIS N N 62 121.634 120.943 0.691 1 1 159 . 11 1 1 A 48 48 LYS H H 63 7.798 8.695 -0.897 1 1 160 . 11 1 1 A 48 48 LYS CA C 63 52.412 58.544 -6.132 1 1 161 . 11 1 1 A 48 48 LYS CB C 63 33.666 29.570 4.096 1 1 162 . 11 1 1 A 48 48 LYS N N 63 116.188 119.456 -3.268 1 1 163 . 11 1 1 A 49 49 SER H H 64 10.807 8.960 1.847 1 1 164 . 11 1 1 A 49 49 SER CA C 64 60.779 60.450 0.329 1 1 165 . 11 1 1 A 49 49 SER CB C 64 62.612 61.934 0.678 1 1 166 . 11 1 1 A 49 49 SER N N 64 121.963 115.395 6.568 1 1 167 . 11 1 1 A 50 50 TRP H H 65 6.564 7.672 -1.108 1 1 169 . 11 1 1 A 50 50 TRP CA C 65 54.246 66.465 -12.219 1 1 170 . 11 1 1 A 50 50 TRP CB C 65 29.500 69.039 -39.539 1 1 171 . 11 1 1 A 50 50 TRP N N 65 115.717 116.803 -1.086 1 1 173 . 11 1 1 A 51 51 CYS H H 66 6.689 7.540 -0.851 1 1 174 . 11 1 1 A 51 51 CYS CA C 66 60.195 58.978 1.217 1 1 175 . 11 1 1 A 51 51 CYS CB C 66 30.909 29.156 1.753 1 1 176 . 11 1 1 A 51 51 CYS N N 66 125.894 120.164 5.730 1 1 177 . 11 1 1 A 52 52 GLY H H 67 9.301 7.870 1.431 1 1 178 . 11 1 1 A 52 52 GLY CA C 67 47.510 63.741 -16.231 1 1 179 . 11 1 1 A 52 52 GLY N N 67 119.542 121.301 -1.759 1 1 180 . 11 1 1 A 53 53 ALA H H 68 9.861 8.478 1.383 1 1 181 . 11 1 1 A 53 53 ALA CA C 68 55.404 61.373 -5.969 1 1 182 . 11 1 1 A 53 53 ALA CB C 68 18.521 62.245 -43.724 1 1 183 . 11 1 1 A 53 53 ALA N N 68 133.080 115.908 17.172 1 1 184 . 11 1 1 A 54 54 CYS H H 69 9.891 7.437 2.454 1 1 185 . 11 1 1 A 54 54 CYS CA C 69 64.497 59.164 5.333 1 1 186 . 11 1 1 A 54 54 CYS CB C 69 29.057 30.226 -1.169 1 1 187 . 11 1 1 A 54 54 CYS N N 69 127.404 122.682 4.722 1 1 188 . 11 1 1 A 55 55 LYS H H 70 8.059 8.224 -0.165 1 1 189 . 11 1 1 A 55 55 LYS CA C 70 59.840 57.778 2.062 1 1 190 . 11 1 1 A 55 55 LYS CB C 70 32.942 40.857 -7.915 1 1 191 . 11 1 1 A 55 55 LYS N N 70 118.141 120.798 -2.657 1 1 192 . 11 1 1 A 56 56 ALA H H 71 7.517 8.260 -0.743 1 1 193 . 11 1 1 A 56 56 ALA CA C 71 53.989 61.082 -7.093 1 1 194 . 11 1 1 A 56 56 ALA CB C 71 18.501 63.265 -44.764 1 1 195 . 11 1 1 A 56 56 ALA N N 71 118.540 115.229 3.311 1 1 196 . 11 1 1 A 57 57 LEU H H 72 7.351 7.868 -0.517 1 1 197 . 11 1 1 A 57 57 LEU CA C 72 56.998 59.325 -2.327 1 1 198 . 11 1 1 A 57 57 LEU CB C 72 42.256 29.608 12.648 1 1 199 . 11 1 1 A 57 57 LEU N N 72 117.293 120.872 -3.579 1 1 200 . 11 1 1 A 58 58 LYS H H 73 7.101 7.767 -0.666 1 1 201 . 11 1 1 A 58 58 LYS CA C 73 62.302 55.987 6.315 1 1 202 . 11 1 1 A 58 58 LYS CB C 73 30.098 38.261 -8.163 1 1 203 . 11 1 1 A 58 58 LYS N N 73 115.956 117.785 -1.829 1 1 204 . 11 1 1 A 59 59 PRO CA C 74 65.581 55.371 10.210 1 1 205 . 11 1 1 A 59 59 PRO CB C 74 30.726 41.948 -11.222 1 1 206 . 11 1 1 A 60 60 LYS H H 75 6.694 8.414 -1.720 1 1 207 . 11 1 1 A 60 60 LYS CA C 75 58.353 59.976 -1.623 1 1 208 . 11 1 1 A 60 60 LYS CB C 75 32.606 35.397 -2.791 1 1 209 . 11 1 1 A 60 60 LYS N N 75 115.897 113.857 2.040 1 1 210 . 11 1 1 A 61 61 PHE H H 76 8.285 8.667 -0.382 1 1 211 . 11 1 1 A 61 61 PHE CA C 76 60.241 52.305 7.936 1 1 212 . 11 1 1 A 61 61 PHE CB C 76 41.785 35.001 6.784 1 1 213 . 11 1 1 A 61 61 PHE N N 76 120.489 123.860 -3.371 1 1 214 . 11 1 1 A 62 62 ALA H H 77 9.036 8.702 0.334 1 1 215 . 11 1 1 A 62 62 ALA CA C 77 55.215 60.760 -5.545 1 1 216 . 11 1 1 A 62 62 ALA CB C 77 19.141 36.081 -16.940 1 1 217 . 11 1 1 A 62 62 ALA N N 77 119.890 118.322 1.568 1 1 218 . 11 1 1 A 63 63 GLU H H 78 7.541 9.055 -1.514 1 1 219 . 11 1 1 A 63 63 GLU CA C 78 55.965 52.285 3.680 1 1 220 . 11 1 1 A 63 63 GLU CB C 78 29.630 40.901 -11.271 1 1 221 . 11 1 1 A 63 63 GLU N N 78 111.511 126.320 -14.809 1 1 222 . 11 1 1 A 64 64 SER H H 79 6.861 8.817 -1.956 1 1 223 . 11 1 1 A 64 64 SER CA C 79 57.323 53.749 3.574 1 1 224 . 11 1 1 A 64 64 SER CB C 79 63.306 46.506 16.800 1 1 225 . 11 1 1 A 64 64 SER N N 79 111.856 128.370 -16.514 1 1 226 . 11 1 1 A 65 65 THR H H 80 9.169 8.547 0.622 1 1 227 . 11 1 1 A 65 65 THR CA C 80 65.335 55.231 10.104 1 1 228 . 11 1 1 A 65 65 THR CB C 80 68.216 33.025 35.191 1 1 229 . 11 1 1 A 65 65 THR N N 80 129.658 124.671 4.987 1 1 230 . 11 1 1 A 66 66 GLU H H 81 8.354 9.037 -0.683 1 1 231 . 11 1 1 A 66 66 GLU CA C 81 60.236 56.532 3.704 1 1 232 . 11 1 1 A 66 66 GLU CB C 81 30.136 39.771 -9.635 1 1 233 . 11 1 1 A 66 66 GLU N N 81 123.573 122.165 1.408 1 1 234 . 11 1 1 A 67 67 ILE H H 82 7.922 7.932 -0.010 1 1 235 . 11 1 1 A 67 67 ILE CA C 82 66.084 59.183 6.901 1 1 236 . 11 1 1 A 67 67 ILE CB C 82 37.806 29.673 8.133 1 1 237 . 11 1 1 A 67 67 ILE N N 82 119.503 119.274 0.229 1 1 238 . 11 1 1 A 68 68 SER H H 83 7.214 8.370 -1.156 1 1 239 . 11 1 1 A 68 68 SER CA C 83 63.512 55.708 7.804 1 1 240 . 11 1 1 A 68 68 SER CB C 83 62.330 30.540 31.790 1 1 241 . 11 1 1 A 68 68 SER N N 83 112.464 117.160 -4.696 1 1 242 . 11 1 1 A 69 69 GLU H H 84 8.224 7.724 0.500 1 1 243 . 11 1 1 A 69 69 GLU CA C 84 59.597 53.977 5.620 1 1 244 . 11 1 1 A 69 69 GLU CB C 84 29.640 30.504 -0.864 1 1 245 . 11 1 1 A 69 69 GLU N N 84 120.267 122.917 -2.650 1 1 247 . 11 1 1 A 70 70 LEU CA C 85 57.423 62.433 -5.010 1 1 248 . 11 1 1 A 70 70 LEU CB C 85 42.942 33.364 9.578 1 1 249 . 11 1 1 A 70 70 LEU N N 85 119.797 142.594 -22.797 1 1 250 . 11 1 1 A 71 71 SER H H 86 8.580 8.664 -0.084 1 1 251 . 11 1 1 A 71 71 SER CA C 86 62.310 55.611 6.699 1 1 252 . 11 1 1 A 71 71 SER CB C 86 62.306 33.002 29.304 1 1 253 . 11 1 1 A 71 71 SER N N 86 114.965 120.500 -5.535 1 1 254 . 11 1 1 A 72 72 HIS H H 87 7.189 7.938 -0.749 1 1 255 . 11 1 1 A 72 72 HIS CA C 87 57.593 52.902 4.691 1 1 256 . 11 1 1 A 72 72 HIS CB C 87 28.816 44.271 -15.455 1 1 257 . 11 1 1 A 72 72 HIS N N 87 119.159 122.614 -3.455 1 1 258 . 11 1 1 A 73 73 ASN H H 88 8.148 8.868 -0.720 1 1 261 . 11 1 1 A 73 73 ASN CA C 88 52.994 58.734 -5.740 1 1 262 . 11 1 1 A 73 73 ASN CB C 88 38.894 29.103 9.791 1 1 263 . 11 1 1 A 73 73 ASN N N 88 116.602 122.492 -5.890 1 1 265 . 11 1 1 A 74 74 PHE H H 89 7.623 7.860 -0.237 1 1 266 . 11 1 1 A 74 74 PHE CA C 89 56.882 57.049 -0.167 1 1 267 . 11 1 1 A 74 74 PHE CB C 89 44.873 40.340 4.533 1 1 268 . 11 1 1 A 74 74 PHE N N 89 114.645 118.948 -4.303 1 1 269 . 11 1 1 A 75 75 VAL H H 90 8.952 6.747 2.205 1 1 270 . 11 1 1 A 75 75 VAL CA C 90 63.301 57.468 5.833 1 1 271 . 11 1 1 A 75 75 VAL CB C 90 31.213 39.380 -8.167 1 1 272 . 11 1 1 A 75 75 VAL N N 90 120.004 114.603 5.401 1 1 273 . 11 1 1 A 76 76 MET H H 91 7.486 8.050 -0.564 1 1 274 . 11 1 1 A 76 76 MET CA C 91 53.528 56.931 -3.403 1 1 275 . 11 1 1 A 76 76 MET CB C 91 30.717 64.609 -33.892 1 1 276 . 11 1 1 A 76 76 MET N N 91 129.189 116.359 12.830 1 1 278 . 11 1 1 A 77 77 VAL CA C 92 60.953 64.249 -3.296 1 1 279 . 11 1 1 A 77 77 VAL CB C 92 37.090 31.684 5.406 1 1 280 . 11 1 1 A 77 77 VAL N N 92 122.955 134.725 -11.770 1 1 281 . 11 1 1 A 78 78 ASN H H 93 10.248 8.339 1.909 1 1 283 . 11 1 1 A 78 78 ASN CA C 93 52.125 53.242 -1.117 1 1 284 . 11 1 1 A 78 78 ASN CB C 93 41.857 41.919 -0.062 1 1 285 . 11 1 1 A 78 78 ASN N N 93 126.507 117.254 9.253 1 1 287 . 11 1 1 A 79 79 LEU H H 94 9.104 7.815 1.289 1 1 288 . 11 1 1 A 79 79 LEU CA C 94 52.410 46.149 6.261 1 1 290 . 11 1 1 A 79 79 LEU N N 94 123.073 108.913 14.160 1 1 291 . 11 1 1 A 80 80 GLU H H 95 9.161 7.363 1.798 1 1 292 . 11 1 1 A 80 80 GLU CA C 95 53.391 45.308 8.083 1 1 294 . 11 1 1 A 80 80 GLU N N 95 125.765 104.665 21.100 1 1 295 . 11 1 1 A 81 81 ASP H H 96 8.107 7.598 0.509 1 1 296 . 11 1 1 A 81 81 ASP CA C 96 57.563 57.053 0.510 1 1 297 . 11 1 1 A 81 81 ASP CB C 96 38.605 40.846 -2.241 1 1 298 . 11 1 1 A 81 81 ASP N N 96 126.380 117.764 8.616 1 1 299 . 11 1 1 A 82 82 GLU H H 97 8.836 8.810 0.026 1 1 300 . 11 1 1 A 82 82 GLU CA C 97 58.555 57.349 1.206 1 1 301 . 11 1 1 A 82 82 GLU CB C 97 28.422 41.130 -12.708 1 1 302 . 11 1 1 A 82 82 GLU N N 97 123.966 114.229 9.737 1 1 304 . 11 1 1 A 83 83 GLU CA C 98 56.619 62.376 -5.757 1 1 305 . 11 1 1 A 83 83 GLU CB C 98 30.722 32.670 -1.948 1 1 306 . 11 1 1 A 83 83 GLU N N 98 118.069 142.209 -24.140 1 1 307 . 11 1 1 A 84 84 GLU H H 99 7.298 7.842 -0.544 1 1 308 . 11 1 1 A 84 84 GLU CA C 99 54.482 53.699 0.783 1 1 309 . 11 1 1 A 84 84 GLU CB C 99 29.535 33.663 -4.128 1 1 310 . 11 1 1 A 84 84 GLU N N 99 119.571 121.312 -1.741 1 1 311 . 11 1 1 A 85 85 PRO CA C 100 62.512 60.054 2.458 1 1 312 . 11 1 1 A 85 85 PRO CB C 100 32.805 39.259 -6.454 1 1 313 . 11 1 1 A 86 86 LYS H H 101 8.640 8.693 -0.053 1 1 314 . 11 1 1 A 86 86 LYS CA C 101 55.615 53.779 1.836 1 1 315 . 11 1 1 A 86 86 LYS CB C 101 31.117 45.144 -14.027 1 1 316 . 11 1 1 A 86 86 LYS N N 101 122.999 119.368 3.631 1 1 317 . 11 1 1 A 87 87 ASP H H 102 7.395 8.256 -0.861 1 1 318 . 11 1 1 A 87 87 ASP CA C 102 54.233 58.014 -3.781 1 1 319 . 11 1 1 A 87 87 ASP CB C 102 42.084 40.676 1.408 1 1 320 . 11 1 1 A 87 87 ASP N N 102 119.006 122.798 -3.792 1 1 321 . 11 1 1 A 88 88 GLU H H 103 9.217 8.697 0.520 1 1 322 . 11 1 1 A 88 88 GLU CA C 103 58.996 53.589 5.407 1 1 323 . 11 1 1 A 88 88 GLU CB C 103 29.226 45.550 -16.324 1 1 324 . 11 1 1 A 88 88 GLU N N 103 127.412 119.295 8.117 1 1 325 . 11 1 1 A 89 89 ASP H H 104 9.043 8.218 0.825 1 1 326 . 11 1 1 A 89 89 ASP CA C 104 56.138 52.648 3.490 1 1 327 . 11 1 1 A 89 89 ASP CB C 104 39.487 40.149 -0.662 1 1 328 . 11 1 1 A 89 89 ASP N N 104 121.056 120.010 1.046 1 1 330 . 11 1 1 A 90 90 PHE CA C 105 58.124 63.509 -5.385 1 1 331 . 11 1 1 A 90 90 PHE CB C 105 38.909 31.481 7.428 1 1 332 . 11 1 1 A 90 90 PHE N N 105 111.473 138.566 -27.093 1 1 333 . 11 1 1 A 91 91 SER H H 106 7.907 8.642 -0.735 1 1 334 . 11 1 1 A 91 91 SER CA C 106 55.565 58.234 -2.669 1 1 335 . 11 1 1 A 91 91 SER CB C 106 63.139 65.199 -2.060 1 1 336 . 11 1 1 A 91 91 SER N N 106 115.544 114.667 0.877 1 1 337 . 11 1 1 A 92 92 PRO CA C 107 65.329 46.008 19.321 1 1 339 . 11 1 1 A 93 93 ASP H H 108 9.095 7.481 1.614 1 1 340 . 11 1 1 A 93 93 ASP CA C 108 52.726 54.689 -1.963 1 1 341 . 11 1 1 A 93 93 ASP CB C 108 40.551 32.281 8.270 1 1 342 . 11 1 1 A 93 93 ASP N N 108 115.482 120.136 -4.654 1 1 343 . 11 1 1 A 94 94 GLY H H 109 6.947 7.729 -0.782 1 1 344 . 11 1 1 A 94 94 GLY CA C 109 44.385 63.146 -18.761 1 1 345 . 11 1 1 A 94 94 GLY N N 109 106.691 123.840 -17.149 1 1 346 . 11 1 1 A 95 95 GLY H H 110 8.423 8.352 0.071 1 1 347 . 11 1 1 A 95 95 GLY CA C 110 45.873 53.930 -8.057 1 1 348 . 11 1 1 A 95 95 GLY N N 110 107.178 127.380 -20.202 1 1 350 . 11 1 1 A 96 96 TYR CA C 111 55.619 63.193 -7.574 1 1 351 . 11 1 1 A 96 96 TYR CB C 111 38.312 30.090 8.222 1 1 352 . 11 1 1 A 96 96 TYR N N 111 116.246 141.809 -25.563 1 1 353 . 11 1 1 A 97 97 ILE H H 112 7.878 9.547 -1.669 1 1 354 . 11 1 1 A 97 97 ILE CA C 112 58.650 58.391 0.259 1 1 355 . 11 1 1 A 97 97 ILE N N 112 113.713 120.316 -6.603 1 1 356 . 11 1 1 A 98 98 PRO CA C 113 62.337 60.309 2.028 1 1 357 . 11 1 1 A 98 98 PRO CB C 113 34.315 37.342 -3.027 1 1 358 . 11 1 1 A 99 99 ARG H H 114 8.514 8.639 -0.125 1 1 359 . 11 1 1 A 99 99 ARG CA C 114 54.460 58.841 -4.381 1 1 360 . 11 1 1 A 99 99 ARG CB C 114 34.399 38.337 -3.938 1 1 361 . 11 1 1 A 99 99 ARG N N 114 117.550 123.737 -6.187 1 1 362 . 11 1 1 A 100 100 ILE H H 115 8.819 8.379 0.440 1 1 363 . 11 1 1 A 100 100 ILE CA C 115 60.937 51.439 9.498 1 1 364 . 11 1 1 A 100 100 ILE CB C 115 39.021 38.709 0.312 1 1 365 . 11 1 1 A 100 100 ILE N N 115 122.056 121.350 0.706 1 1 366 . 11 1 1 A 101 101 LEU H H 116 8.692 8.662 0.030 1 1 367 . 11 1 1 A 101 101 LEU CA C 116 52.377 59.194 -6.817 1 1 368 . 11 1 1 A 101 101 LEU CB C 116 46.493 29.311 17.182 1 1 369 . 11 1 1 A 101 101 LEU N N 116 127.243 124.986 2.257 1 1 370 . 11 1 1 A 102 102 PHE H H 117 9.004 7.902 1.102 1 1 371 . 11 1 1 A 102 102 PHE CA C 117 57.076 55.107 1.969 1 1 372 . 11 1 1 A 102 102 PHE CB C 117 42.048 38.817 3.231 1 1 373 . 11 1 1 A 102 102 PHE N N 117 116.784 117.220 -0.436 1 1 374 . 11 1 1 A 103 103 LEU H H 118 9.303 8.556 0.747 1 1 375 . 11 1 1 A 103 103 LEU CA C 118 53.487 44.504 8.983 1 1 377 . 11 1 1 A 103 103 LEU N N 118 124.741 107.486 17.255 1 1 378 . 11 1 1 A 104 104 ASP H H 119 8.351 8.635 -0.284 1 1 379 . 11 1 1 A 104 104 ASP CA C 119 52.555 50.513 2.042 1 1 380 . 11 1 1 A 104 104 ASP CB C 119 39.406 40.743 -1.337 1 1 381 . 11 1 1 A 104 104 ASP N N 119 117.539 116.817 0.722 1 1 382 . 11 1 1 A 105 105 PRO CA C 120 65.106 62.891 2.215 1 1 383 . 11 1 1 A 105 105 PRO CB C 120 31.459 29.838 1.621 1 1 384 . 11 1 1 A 106 106 SER H H 121 8.229 8.290 -0.061 1 1 385 . 11 1 1 A 106 106 SER CA C 121 58.891 57.298 1.593 1 1 386 . 11 1 1 A 106 106 SER CB C 121 64.061 63.921 0.140 1 1 387 . 11 1 1 A 106 106 SER N N 121 111.546 115.439 -3.893 1 1 388 . 11 1 1 A 107 107 GLY H H 122 8.970 8.026 0.944 1 1 389 . 11 1 1 A 107 107 GLY CA C 122 45.417 58.795 -13.378 1 1 390 . 11 1 1 A 107 107 GLY N N 122 111.616 120.436 -8.820 1 1 391 . 11 1 1 A 108 108 LYS H H 123 7.405 8.093 -0.688 1 1 392 . 11 1 1 A 108 108 LYS CA C 123 54.729 58.616 -3.887 1 1 393 . 11 1 1 A 108 108 LYS CB C 123 32.929 31.407 1.522 1 1 394 . 11 1 1 A 108 108 LYS N N 123 120.930 117.787 3.143 1 1 395 . 11 1 1 A 109 109 VAL H H 124 8.875 8.696 0.179 1 1 396 . 11 1 1 A 109 109 VAL CA C 124 64.103 59.988 4.115 1 1 397 . 11 1 1 A 109 109 VAL CB C 124 32.249 37.811 -5.562 1 1 398 . 11 1 1 A 109 109 VAL N N 124 126.925 119.166 7.759 1 1 399 . 11 1 1 A 110 110 HIS H H 125 8.911 8.184 0.727 1 1 400 . 11 1 1 A 110 110 HIS CA C 125 54.469 56.886 -2.417 1 1 401 . 11 1 1 A 110 110 HIS CB C 125 28.893 40.018 -11.125 1 1 402 . 11 1 1 A 110 110 HIS N N 125 127.112 122.284 4.828 1 1 403 . 11 1 1 A 111 111 PRO CA C 126 63.311 55.658 7.653 1 1 404 . 11 1 1 A 111 111 PRO CB C 126 32.232 40.148 -7.916 1 1 405 . 11 1 1 A 112 112 GLU H H 127 10.959 8.296 2.663 1 1 406 . 11 1 1 A 112 112 GLU CA C 127 57.439 59.826 -2.387 1 1 407 . 11 1 1 A 112 112 GLU CB C 127 27.174 31.009 -3.835 1 1 408 . 11 1 1 A 112 112 GLU N N 127 123.144 121.084 2.060 1 1 409 . 11 1 1 A 113 113 ILE H H 128 7.493 7.470 0.023 1 1 410 . 11 1 1 A 113 113 ILE CA C 128 61.518 57.289 4.229 1 1 411 . 11 1 1 A 113 113 ILE CB C 128 35.365 65.101 -29.736 1 1 412 . 11 1 1 A 113 113 ILE N N 128 123.479 115.283 8.196 1 1 413 . 11 1 1 A 114 114 ILE H H 129 8.300 8.973 -0.673 1 1 414 . 11 1 1 A 114 114 ILE CA C 129 59.109 55.229 3.880 1 1 415 . 11 1 1 A 114 114 ILE CB C 129 42.309 18.378 23.931 1 1 416 . 11 1 1 A 114 114 ILE N N 129 123.439 127.581 -4.142 1 1 417 . 11 1 1 A 115 115 ASN H H 130 8.622 8.309 0.313 1 1 420 . 11 1 1 A 115 115 ASN CA C 130 51.381 59.578 -8.197 1 1 421 . 11 1 1 A 115 115 ASN CB C 130 35.215 29.078 6.137 1 1 422 . 11 1 1 A 115 115 ASN N N 130 114.712 118.993 -4.281 1 1 424 . 11 1 1 A 116 116 GLU H H 131 8.463 8.136 0.327 1 1 425 . 11 1 1 A 116 116 GLU CA C 131 58.882 58.715 0.167 1 1 426 . 11 1 1 A 116 116 GLU CB C 131 29.606 28.392 1.214 1 1 427 . 11 1 1 A 116 116 GLU N N 131 127.900 117.641 10.259 1 1 428 . 11 1 1 A 117 117 ASN H H 132 7.545 7.870 -0.325 1 1 431 . 11 1 1 A 117 117 ASN CA C 132 52.960 65.028 -12.068 1 1 432 . 11 1 1 A 117 117 ASN CB C 132 39.777 31.280 8.497 1 1 433 . 11 1 1 A 117 117 ASN N N 132 113.958 119.569 -5.611 1 1 435 . 11 1 1 A 118 118 GLY H H 133 7.109 7.784 -0.675 1 1 436 . 11 1 1 A 118 118 GLY CA C 133 44.662 64.895 -20.233 1 1 437 . 11 1 1 A 118 118 GLY N N 133 107.288 119.786 -12.498 1 1 438 . 11 1 1 A 119 119 ASN H H 134 8.795 8.784 0.011 1 1 441 . 11 1 1 A 119 119 ASN CA C 134 50.277 58.205 -7.928 1 1 442 . 11 1 1 A 119 119 ASN CB C 134 40.102 28.046 12.056 1 1 443 . 11 1 1 A 119 119 ASN N N 134 122.889 119.901 2.988 1 1 445 . 11 1 1 A 120 120 PRO CA C 135 64.320 46.679 17.641 1 1 447 . 11 1 1 A 121 121 SER H H 136 8.260 7.840 0.420 1 1 448 . 11 1 1 A 121 121 SER CA C 136 60.199 58.341 1.858 1 1 449 . 11 1 1 A 121 121 SER CB C 136 63.228 32.962 30.266 1 1 450 . 11 1 1 A 121 121 SER N N 136 113.554 118.361 -4.807 1 1 451 . 11 1 1 A 122 122 TYR H H 137 7.580 8.369 -0.789 1 1 452 . 11 1 1 A 122 122 TYR CA C 137 54.584 58.484 -3.900 1 1 453 . 11 1 1 A 122 122 TYR CB C 137 38.872 31.362 7.510 1 1 454 . 11 1 1 A 122 122 TYR N N 137 119.864 118.968 0.896 1 1 455 . 11 1 1 A 123 123 LYS H H 138 9.556 8.027 1.529 1 1 456 . 11 1 1 A 123 123 LYS CA C 138 60.415 59.050 1.365 1 1 457 . 11 1 1 A 123 123 LYS CB C 138 31.945 30.166 1.779 1 1 458 . 11 1 1 A 123 123 LYS N N 138 123.955 119.818 4.137 1 1 459 . 11 1 1 A 124 124 TYR H H 139 8.486 7.820 0.666 1 1 460 . 11 1 1 A 124 124 TYR CA C 139 56.009 54.653 1.356 1 1 461 . 11 1 1 A 124 124 TYR CB C 139 37.666 17.960 19.706 1 1 462 . 11 1 1 A 124 124 TYR N N 139 113.738 121.800 -8.062 1 1 463 . 11 1 1 A 125 125 PHE H H 140 7.562 7.759 -0.197 1 1 464 . 11 1 1 A 125 125 PHE CA C 140 56.561 58.360 -1.799 1 1 465 . 11 1 1 A 125 125 PHE CB C 140 40.897 28.562 12.335 1 1 466 . 11 1 1 A 125 125 PHE N N 140 122.592 117.986 4.606 1 1 467 . 11 1 1 A 126 126 TYR H H 141 8.133 8.125 0.008 1 1 468 . 11 1 1 A 126 126 TYR CA C 141 57.326 56.857 0.469 1 1 469 . 11 1 1 A 126 126 TYR CB C 141 41.768 31.510 10.258 1 1 470 . 11 1 1 A 126 126 TYR N N 141 129.225 115.726 13.499 1 1 471 . 11 1 1 A 127 127 VAL H H 142 8.081 7.957 0.124 1 1 472 . 11 1 1 A 127 127 VAL CA C 142 61.414 58.078 3.336 1 1 473 . 11 1 1 A 127 127 VAL CB C 142 34.245 29.979 4.266 1 1 474 . 11 1 1 A 127 127 VAL N N 142 112.892 119.620 -6.728 1 1 475 . 11 1 1 A 128 128 SER H H 143 7.362 8.300 -0.938 1 1 476 . 11 1 1 A 128 128 SER CA C 143 55.028 55.259 -0.231 1 1 477 . 11 1 1 A 128 128 SER CB C 143 67.261 43.614 23.647 1 1 478 . 11 1 1 A 128 128 SER N N 143 112.848 120.173 -7.325 1 1 479 . 11 1 1 A 129 129 ALA H H 144 9.331 7.367 1.964 1 1 480 . 11 1 1 A 129 129 ALA CA C 144 55.568 62.451 -6.883 1 1 481 . 11 1 1 A 129 129 ALA CB C 144 18.005 69.170 -51.165 1 1 482 . 11 1 1 A 129 129 ALA N N 144 124.250 108.641 15.609 1 1 483 . 11 1 1 A 130 130 GLU H H 145 9.152 8.961 0.191 1 1 484 . 11 1 1 A 130 130 GLU CA C 145 60.626 45.428 15.198 1 1 486 . 11 1 1 A 130 130 GLU N N 145 116.980 114.383 2.597 1 1 487 . 11 1 1 A 131 131 GLN H H 146 7.621 8.568 -0.947 1 1 490 . 11 1 1 A 131 131 GLN CA C 146 58.552 55.487 3.065 1 1 491 . 11 1 1 A 131 131 GLN CB C 146 29.038 39.636 -10.598 1 1 492 . 11 1 1 A 131 131 GLN N N 146 117.565 113.508 4.057 1 1 494 . 11 1 1 A 132 132 VAL H H 147 7.780 7.965 -0.185 1 1 495 . 11 1 1 A 132 132 VAL CA C 147 66.928 54.737 12.191 1 1 496 . 11 1 1 A 132 132 VAL CB C 147 31.324 18.475 12.849 1 1 497 . 11 1 1 A 132 132 VAL N N 147 121.486 119.961 1.525 1 1 498 . 11 1 1 A 133 133 VAL H H 148 8.609 8.287 0.322 1 1 499 . 11 1 1 A 133 133 VAL CA C 148 67.053 60.788 6.265 1 1 500 . 11 1 1 A 133 133 VAL CB C 148 31.927 37.563 -5.636 1 1 501 . 11 1 1 A 133 133 VAL N N 148 119.560 114.120 5.440 1 1 502 . 11 1 1 A 134 134 GLN H H 149 7.365 6.454 0.911 1 1 505 . 11 1 1 A 134 134 GLN CA C 149 59.382 55.693 3.689 1 1 506 . 11 1 1 A 134 134 GLN CB C 149 27.860 30.332 -2.472 1 1 507 . 11 1 1 A 134 134 GLN N N 149 117.080 121.237 -4.157 1 1 509 . 11 1 1 A 135 135 GLY H H 150 8.085 8.372 -0.287 1 1 510 . 11 1 1 A 135 135 GLY CA C 150 47.499 55.296 -7.797 1 1 511 . 11 1 1 A 135 135 GLY N N 150 107.849 124.841 -16.992 1 1 512 . 11 1 1 A 136 136 MET H H 151 8.593 8.458 0.135 1 1 513 . 11 1 1 A 136 136 MET CA C 151 59.730 55.572 4.158 1 1 514 . 11 1 1 A 136 136 MET CB C 151 35.435 33.407 2.028 1 1 515 . 11 1 1 A 136 136 MET N N 151 119.390 120.414 -1.024 1 1 516 . 11 1 1 A 137 137 LYS H H 152 8.591 8.432 0.159 1 1 517 . 11 1 1 A 137 137 LYS CA C 152 60.659 56.508 4.151 1 1 518 . 11 1 1 A 137 137 LYS CB C 152 32.617 28.232 4.385 1 1 519 . 11 1 1 A 137 137 LYS N N 152 119.226 115.524 3.702 1 1 520 . 11 1 1 A 138 138 GLU H H 153 7.870 8.477 -0.607 1 1 521 . 11 1 1 A 138 138 GLU CA C 153 59.134 57.312 1.822 1 1 522 . 11 1 1 A 138 138 GLU CB C 153 28.879 42.850 -13.971 1 1 523 . 11 1 1 A 138 138 GLU N N 153 120.709 122.903 -2.194 1 1 524 . 11 1 1 A 139 139 ALA H H 154 8.493 7.926 0.567 1 1 525 . 11 1 1 A 139 139 ALA CA C 154 55.450 57.225 -1.775 1 1 526 . 11 1 1 A 139 139 ALA CB C 154 18.695 32.230 -13.535 1 1 527 . 11 1 1 A 139 139 ALA N N 154 120.598 117.327 3.271 1 1 528 . 11 1 1 A 140 140 GLN H H 155 8.582 8.013 0.569 1 1 531 . 11 1 1 A 140 140 GLN CA C 155 59.239 55.318 3.921 1 1 532 . 11 1 1 A 140 140 GLN CB C 155 28.027 40.559 -12.532 1 1 533 . 11 1 1 A 140 140 GLN N N 155 116.438 119.570 -3.132 1 1 535 . 11 1 1 A 141 141 GLU H H 156 7.563 9.132 -1.569 1 1 536 . 11 1 1 A 141 141 GLU CA C 156 58.896 57.571 1.325 1 1 537 . 11 1 1 A 141 141 GLU CB C 156 29.885 28.389 1.496 1 1 538 . 11 1 1 A 141 141 GLU N N 156 118.759 124.028 -5.269 1 1 1 . 12 1 1 A 7 7 HIS CA C 22 56.307 54.119 2.188 1 1 2 . 12 1 1 A 7 7 HIS CB C 22 30.341 31.309 -0.968 1 1 3 . 12 1 1 A 8 8 MET H H 23 8.449 8.075 0.374 1 1 4 . 12 1 1 A 8 8 MET CA C 23 55.742 61.663 -5.921 1 1 5 . 12 1 1 A 8 8 MET CB C 23 32.842 39.306 -6.464 1 1 6 . 12 1 1 A 8 8 MET N N 23 122.176 123.074 -0.898 1 1 7 . 12 1 1 A 9 9 SER H H 24 8.428 6.610 1.818 1 1 8 . 12 1 1 A 9 9 SER CA C 24 58.412 54.648 3.764 1 1 9 . 12 1 1 A 9 9 SER CB C 24 63.900 28.479 35.421 1 1 10 . 12 1 1 A 9 9 SER N N 24 116.789 117.240 -0.451 1 1 11 . 12 1 1 A 10 10 ASP H H 25 8.382 7.230 1.152 1 1 12 . 12 1 1 A 10 10 ASP CA C 25 54.487 56.562 -2.075 1 1 13 . 12 1 1 A 10 10 ASP CB C 25 41.285 31.102 10.183 1 1 14 . 12 1 1 A 10 10 ASP N N 25 122.384 118.346 4.038 1 1 15 . 12 1 1 A 11 11 GLY H H 26 8.363 7.432 0.931 1 1 16 . 12 1 1 A 11 11 GLY CA C 26 45.546 58.647 -13.101 1 1 17 . 12 1 1 A 11 11 GLY N N 26 108.671 121.166 -12.495 1 1 18 . 12 1 1 A 12 12 HIS H H 27 8.350 7.105 1.245 1 1 19 . 12 1 1 A 12 12 HIS CA C 27 56.103 61.309 -5.206 1 1 20 . 12 1 1 A 12 12 HIS CB C 27 29.813 70.534 -40.721 1 1 21 . 12 1 1 A 12 12 HIS N N 27 118.814 107.311 11.503 1 1 22 . 12 1 1 A 13 13 ASN H H 28 8.505 8.679 -0.174 1 1 25 . 12 1 1 A 13 13 ASN CA C 28 53.482 57.622 -4.140 1 1 26 . 12 1 1 A 13 13 ASN CB C 28 39.386 42.715 -3.329 1 1 27 . 12 1 1 A 13 13 ASN N N 28 119.523 124.138 -4.615 1 1 29 . 12 1 1 A 14 14 GLY H H 29 8.743 8.455 0.288 1 1 30 . 12 1 1 A 14 14 GLY CA C 29 45.534 59.836 -14.302 1 1 31 . 12 1 1 A 14 14 GLY N N 29 110.136 119.061 -8.925 1 1 32 . 12 1 1 A 15 15 LEU H H 30 8.466 7.903 0.563 1 1 33 . 12 1 1 A 15 15 LEU CA C 30 56.146 56.950 -0.804 1 1 34 . 12 1 1 A 15 15 LEU CB C 30 42.864 40.370 2.494 1 1 35 . 12 1 1 A 15 15 LEU N N 30 120.511 119.144 1.367 1 1 36 . 12 1 1 A 16 16 GLY H H 31 8.886 8.378 0.508 1 1 37 . 12 1 1 A 16 16 GLY CA C 31 47.064 47.187 -0.123 1 1 38 . 12 1 1 A 16 16 GLY N N 31 108.073 109.339 -1.266 1 1 39 . 12 1 1 A 17 17 LYS H H 32 7.854 8.215 -0.361 1 1 40 . 12 1 1 A 17 17 LYS CA C 32 55.661 58.849 -3.188 1 1 41 . 12 1 1 A 17 17 LYS CB C 32 29.379 32.344 -2.965 1 1 42 . 12 1 1 A 17 17 LYS N N 32 110.952 119.679 -8.727 1 1 43 . 12 1 1 A 18 18 GLY H H 33 8.095 7.580 0.515 1 1 44 . 12 1 1 A 18 18 GLY CA C 33 44.893 59.973 -15.080 1 1 45 . 12 1 1 A 18 18 GLY N N 33 103.957 120.022 -16.065 1 1 46 . 12 1 1 A 19 19 PHE H H 34 7.887 8.280 -0.393 1 1 47 . 12 1 1 A 19 19 PHE CA C 34 61.146 59.114 2.032 1 1 48 . 12 1 1 A 19 19 PHE CB C 34 38.963 29.319 9.644 1 1 49 . 12 1 1 A 19 19 PHE N N 34 117.883 118.817 -0.934 1 1 50 . 12 1 1 A 20 20 GLY H H 35 7.696 7.823 -0.127 1 1 51 . 12 1 1 A 20 20 GLY CA C 35 45.189 54.432 -9.243 1 1 52 . 12 1 1 A 20 20 GLY N N 35 102.668 121.171 -18.503 1 1 53 . 12 1 1 A 21 21 ASP H H 36 9.284 7.592 1.692 1 1 54 . 12 1 1 A 21 21 ASP CA C 36 56.026 54.957 1.069 1 1 55 . 12 1 1 A 21 21 ASP CB C 36 40.543 18.422 22.121 1 1 56 . 12 1 1 A 21 21 ASP N N 36 129.289 119.682 9.607 1 1 57 . 12 1 1 A 22 22 HIS H H 37 9.058 7.573 1.485 1 1 58 . 12 1 1 A 22 22 HIS CA C 37 56.628 54.897 1.731 1 1 59 . 12 1 1 A 22 22 HIS CB C 37 29.941 19.509 10.432 1 1 60 . 12 1 1 A 22 22 HIS N N 37 116.742 119.983 -3.241 1 1 61 . 12 1 1 A 23 23 ILE H H 38 6.449 7.772 -1.323 1 1 62 . 12 1 1 A 23 23 ILE CA C 38 59.183 59.577 -0.394 1 1 63 . 12 1 1 A 23 23 ILE CB C 38 39.408 63.608 -24.200 1 1 64 . 12 1 1 A 23 23 ILE N N 38 124.704 113.356 11.348 1 1 65 . 12 1 1 A 24 24 HIS H H 39 7.857 8.640 -0.783 1 1 66 . 12 1 1 A 24 24 HIS CA C 39 52.931 46.779 6.152 1 1 68 . 12 1 1 A 24 24 HIS N N 39 124.600 109.597 15.003 1 1 69 . 12 1 1 A 25 25 TRP H H 40 8.032 7.607 0.425 1 1 71 . 12 1 1 A 25 25 TRP CA C 40 57.058 50.990 6.068 1 1 72 . 12 1 1 A 25 25 TRP CB C 40 30.411 45.193 -14.782 1 1 73 . 12 1 1 A 25 25 TRP N N 40 130.002 114.154 15.848 1 1 76 . 12 1 1 A 26 26 ARG CA C 41 54.500 62.183 -7.683 1 1 77 . 12 1 1 A 26 26 ARG CB C 41 35.055 33.052 2.003 1 1 78 . 12 1 1 A 26 26 ARG N N 41 122.005 135.261 -13.256 1 1 79 . 12 1 1 A 27 27 THR H H 42 8.562 7.975 0.587 1 1 80 . 12 1 1 A 27 27 THR CA C 42 61.294 52.285 9.009 1 1 81 . 12 1 1 A 27 27 THR CB C 42 70.325 45.741 24.584 1 1 82 . 12 1 1 A 27 27 THR N N 42 111.261 117.304 -6.043 1 1 83 . 12 1 1 A 28 28 LEU H H 43 8.994 8.665 0.329 1 1 84 . 12 1 1 A 28 28 LEU CA C 43 59.121 53.549 5.572 1 1 85 . 12 1 1 A 28 28 LEU CB C 43 41.515 32.883 8.632 1 1 86 . 12 1 1 A 28 28 LEU N N 43 121.976 120.021 1.955 1 1 87 . 12 1 1 A 29 29 GLU H H 44 8.759 8.159 0.600 1 1 88 . 12 1 1 A 29 29 GLU CA C 44 59.928 63.048 -3.120 1 1 89 . 12 1 1 A 29 29 GLU CB C 44 29.342 31.186 -1.844 1 1 90 . 12 1 1 A 29 29 GLU N N 44 116.492 125.289 -8.797 1 1 91 . 12 1 1 A 30 30 ASP H H 45 7.692 9.206 -1.514 1 1 92 . 12 1 1 A 30 30 ASP CA C 45 57.131 59.883 -2.752 1 1 93 . 12 1 1 A 30 30 ASP CB C 45 40.093 38.741 1.352 1 1 94 . 12 1 1 A 30 30 ASP N N 45 119.105 128.932 -9.827 1 1 95 . 12 1 1 A 31 31 GLY H H 46 9.224 8.870 0.354 1 1 96 . 12 1 1 A 31 31 GLY CA C 46 47.426 59.809 -12.383 1 1 97 . 12 1 1 A 31 31 GLY N N 46 111.508 126.668 -15.160 1 1 98 . 12 1 1 A 32 32 LYS H H 47 8.691 8.546 0.145 1 1 99 . 12 1 1 A 32 32 LYS CA C 47 60.968 53.595 7.373 1 1 100 . 12 1 1 A 32 32 LYS CB C 47 32.534 32.293 0.241 1 1 101 . 12 1 1 A 32 32 LYS N N 47 121.519 121.453 0.066 1 1 102 . 12 1 1 A 33 33 LYS H H 48 7.234 8.114 -0.880 1 1 103 . 12 1 1 A 33 33 LYS CA C 48 59.734 54.384 5.350 1 1 104 . 12 1 1 A 33 33 LYS CB C 48 32.349 35.682 -3.333 1 1 105 . 12 1 1 A 33 33 LYS N N 48 119.937 123.856 -3.919 1 1 106 . 12 1 1 A 34 34 GLU H H 49 8.179 8.644 -0.465 1 1 107 . 12 1 1 A 34 34 GLU CA C 49 58.911 59.118 -0.207 1 1 108 . 12 1 1 A 34 34 GLU CB C 49 29.393 63.043 -33.650 1 1 109 . 12 1 1 A 34 34 GLU N N 49 121.748 116.281 5.467 1 1 110 . 12 1 1 A 35 35 ALA H H 50 9.142 9.014 0.128 1 1 111 . 12 1 1 A 35 35 ALA CA C 50 56.068 60.580 -4.512 1 1 112 . 12 1 1 A 35 35 ALA CB C 50 19.504 28.474 -8.970 1 1 113 . 12 1 1 A 35 35 ALA N N 50 125.093 126.054 -0.961 1 1 114 . 12 1 1 A 36 36 ALA H H 51 7.548 6.881 0.667 1 1 115 . 12 1 1 A 36 36 ALA CA C 51 54.765 59.119 -4.354 1 1 116 . 12 1 1 A 36 36 ALA CB C 51 18.095 26.168 -8.073 1 1 117 . 12 1 1 A 36 36 ALA N N 51 118.057 118.011 0.046 1 1 118 . 12 1 1 A 37 37 ALA H H 52 7.517 7.986 -0.469 1 1 119 . 12 1 1 A 37 37 ALA CA C 52 54.200 46.001 8.199 1 1 121 . 12 1 1 A 37 37 ALA N N 52 118.541 113.559 4.982 1 1 122 . 12 1 1 A 38 38 SER H H 53 8.330 7.683 0.647 1 1 123 . 12 1 1 A 38 38 SER CA C 53 59.095 54.350 4.745 1 1 124 . 12 1 1 A 38 38 SER CB C 53 65.540 17.779 47.761 1 1 125 . 12 1 1 A 38 38 SER N N 53 110.905 124.036 -13.131 1 1 126 . 12 1 1 A 39 39 GLY H H 54 8.454 7.213 1.241 1 1 127 . 12 1 1 A 39 39 GLY CA C 54 46.559 60.860 -14.301 1 1 128 . 12 1 1 A 39 39 GLY N N 54 112.427 115.860 -3.433 1 1 129 . 12 1 1 A 40 40 LEU H H 55 7.580 7.876 -0.296 1 1 130 . 12 1 1 A 40 40 LEU CA C 55 51.891 59.229 -7.338 1 1 131 . 12 1 1 A 40 40 LEU CB C 55 43.061 32.157 10.904 1 1 132 . 12 1 1 A 40 40 LEU N N 55 121.312 121.007 0.305 1 1 133 . 12 1 1 A 41 41 PRO CA C 56 61.426 54.862 6.564 1 1 134 . 12 1 1 A 41 41 PRO CB C 56 32.878 18.462 14.416 1 1 135 . 12 1 1 A 42 42 LEU H H 57 8.447 7.817 0.630 1 1 136 . 12 1 1 A 42 42 LEU CA C 57 55.025 57.789 -2.764 1 1 137 . 12 1 1 A 42 42 LEU CB C 57 44.360 41.097 3.263 1 1 138 . 12 1 1 A 42 42 LEU N N 57 116.186 119.245 -3.059 1 1 139 . 12 1 1 A 43 43 MET H H 58 8.610 7.808 0.802 1 1 140 . 12 1 1 A 43 43 MET CA C 58 54.951 61.122 -6.171 1 1 141 . 12 1 1 A 43 43 MET CB C 58 34.319 31.238 3.081 1 1 142 . 12 1 1 A 43 43 MET N N 58 124.827 118.420 6.407 1 1 144 . 12 1 1 A 44 44 VAL CA C 59 60.237 65.086 -4.849 1 1 145 . 12 1 1 A 44 44 VAL CB C 59 34.052 31.389 2.663 1 1 146 . 12 1 1 A 44 44 VAL N N 59 125.176 132.628 -7.452 1 1 147 . 12 1 1 A 45 45 ILE H H 60 8.512 8.559 -0.047 1 1 148 . 12 1 1 A 45 45 ILE CA C 60 60.138 58.831 1.307 1 1 149 . 12 1 1 A 45 45 ILE CB C 60 40.622 32.743 7.879 1 1 150 . 12 1 1 A 45 45 ILE N N 60 125.614 116.307 9.307 1 1 151 . 12 1 1 A 46 46 ILE H H 61 9.528 8.727 0.801 1 1 152 . 12 1 1 A 46 46 ILE CA C 61 61.356 61.416 -0.060 1 1 153 . 12 1 1 A 46 46 ILE CB C 61 39.017 39.520 -0.503 1 1 154 . 12 1 1 A 46 46 ILE N N 61 130.237 121.015 9.222 1 1 155 . 12 1 1 A 47 47 HIS H H 62 8.926 8.037 0.889 1 1 156 . 12 1 1 A 47 47 HIS CA C 62 54.153 54.845 -0.692 1 1 157 . 12 1 1 A 47 47 HIS CB C 62 35.638 18.405 17.233 1 1 158 . 12 1 1 A 47 47 HIS N N 62 121.634 121.321 0.313 1 1 159 . 12 1 1 A 48 48 LYS H H 63 7.798 8.408 -0.610 1 1 160 . 12 1 1 A 48 48 LYS CA C 63 52.412 58.665 -6.253 1 1 161 . 12 1 1 A 48 48 LYS CB C 63 33.666 29.437 4.229 1 1 162 . 12 1 1 A 48 48 LYS N N 63 116.188 119.498 -3.310 1 1 163 . 12 1 1 A 49 49 SER H H 64 10.807 8.831 1.976 1 1 164 . 12 1 1 A 49 49 SER CA C 64 60.779 60.400 0.379 1 1 165 . 12 1 1 A 49 49 SER CB C 64 62.612 62.285 0.327 1 1 166 . 12 1 1 A 49 49 SER N N 64 121.963 115.780 6.183 1 1 167 . 12 1 1 A 50 50 TRP H H 65 6.564 7.799 -1.235 1 1 169 . 12 1 1 A 50 50 TRP CA C 65 54.246 66.427 -12.181 1 1 170 . 12 1 1 A 50 50 TRP CB C 65 29.500 69.084 -39.584 1 1 171 . 12 1 1 A 50 50 TRP N N 65 115.717 116.456 -0.739 1 1 173 . 12 1 1 A 51 51 CYS H H 66 6.689 7.564 -0.875 1 1 174 . 12 1 1 A 51 51 CYS CA C 66 60.195 58.636 1.559 1 1 175 . 12 1 1 A 51 51 CYS CB C 66 30.909 29.153 1.756 1 1 176 . 12 1 1 A 51 51 CYS N N 66 125.894 120.016 5.878 1 1 177 . 12 1 1 A 52 52 GLY H H 67 9.301 7.921 1.380 1 1 178 . 12 1 1 A 52 52 GLY CA C 67 47.510 63.218 -15.708 1 1 179 . 12 1 1 A 52 52 GLY N N 67 119.542 120.487 -0.945 1 1 180 . 12 1 1 A 53 53 ALA H H 68 9.861 8.205 1.656 1 1 181 . 12 1 1 A 53 53 ALA CA C 68 55.404 61.046 -5.642 1 1 182 . 12 1 1 A 53 53 ALA CB C 68 18.521 63.218 -44.697 1 1 183 . 12 1 1 A 53 53 ALA N N 68 133.080 118.214 14.866 1 1 184 . 12 1 1 A 54 54 CYS H H 69 9.891 8.020 1.871 1 1 185 . 12 1 1 A 54 54 CYS CA C 69 64.497 59.139 5.358 1 1 186 . 12 1 1 A 54 54 CYS CB C 69 29.057 30.415 -1.358 1 1 187 . 12 1 1 A 54 54 CYS N N 69 127.404 118.416 8.988 1 1 188 . 12 1 1 A 55 55 LYS H H 70 8.059 7.912 0.147 1 1 189 . 12 1 1 A 55 55 LYS CA C 70 59.840 57.879 1.961 1 1 190 . 12 1 1 A 55 55 LYS CB C 70 32.942 41.439 -8.497 1 1 191 . 12 1 1 A 55 55 LYS N N 70 118.141 121.768 -3.627 1 1 192 . 12 1 1 A 56 56 ALA H H 71 7.517 7.831 -0.314 1 1 193 . 12 1 1 A 56 56 ALA CA C 71 53.989 61.604 -7.615 1 1 194 . 12 1 1 A 56 56 ALA CB C 71 18.501 62.958 -44.457 1 1 195 . 12 1 1 A 56 56 ALA N N 71 118.540 114.346 4.194 1 1 196 . 12 1 1 A 57 57 LEU H H 72 7.351 7.690 -0.339 1 1 197 . 12 1 1 A 57 57 LEU CA C 72 56.998 58.552 -1.554 1 1 198 . 12 1 1 A 57 57 LEU CB C 72 42.256 29.132 13.124 1 1 199 . 12 1 1 A 57 57 LEU N N 72 117.293 119.014 -1.721 1 1 200 . 12 1 1 A 58 58 LYS H H 73 7.101 8.422 -1.321 1 1 201 . 12 1 1 A 58 58 LYS CA C 73 62.302 54.447 7.855 1 1 202 . 12 1 1 A 58 58 LYS CB C 73 30.098 37.814 -7.716 1 1 203 . 12 1 1 A 58 58 LYS N N 73 115.956 114.988 0.968 1 1 204 . 12 1 1 A 59 59 PRO CA C 74 65.581 56.707 8.874 1 1 205 . 12 1 1 A 59 59 PRO CB C 74 30.726 40.681 -9.955 1 1 206 . 12 1 1 A 60 60 LYS H H 75 6.694 8.482 -1.788 1 1 207 . 12 1 1 A 60 60 LYS CA C 75 58.353 60.067 -1.714 1 1 208 . 12 1 1 A 60 60 LYS CB C 75 32.606 35.816 -3.210 1 1 209 . 12 1 1 A 60 60 LYS N N 75 115.897 119.854 -3.957 1 1 210 . 12 1 1 A 61 61 PHE H H 76 8.285 8.653 -0.368 1 1 211 . 12 1 1 A 61 61 PHE CA C 76 60.241 52.484 7.757 1 1 212 . 12 1 1 A 61 61 PHE CB C 76 41.785 36.129 5.656 1 1 213 . 12 1 1 A 61 61 PHE N N 76 120.489 126.229 -5.740 1 1 214 . 12 1 1 A 62 62 ALA H H 77 9.036 8.252 0.784 1 1 215 . 12 1 1 A 62 62 ALA CA C 77 55.215 60.863 -5.648 1 1 216 . 12 1 1 A 62 62 ALA CB C 77 19.141 35.720 -16.579 1 1 217 . 12 1 1 A 62 62 ALA N N 77 119.890 118.076 1.814 1 1 218 . 12 1 1 A 63 63 GLU H H 78 7.541 9.036 -1.495 1 1 219 . 12 1 1 A 63 63 GLU CA C 78 55.965 52.149 3.816 1 1 220 . 12 1 1 A 63 63 GLU CB C 78 29.630 41.153 -11.523 1 1 221 . 12 1 1 A 63 63 GLU N N 78 111.511 126.242 -14.731 1 1 222 . 12 1 1 A 64 64 SER H H 79 6.861 8.857 -1.996 1 1 223 . 12 1 1 A 64 64 SER CA C 79 57.323 53.246 4.077 1 1 224 . 12 1 1 A 64 64 SER CB C 79 63.306 45.396 17.910 1 1 225 . 12 1 1 A 64 64 SER N N 79 111.856 126.815 -14.959 1 1 226 . 12 1 1 A 65 65 THR H H 80 9.169 8.440 0.729 1 1 227 . 12 1 1 A 65 65 THR CA C 80 65.335 55.296 10.039 1 1 228 . 12 1 1 A 65 65 THR CB C 80 68.216 32.668 35.548 1 1 229 . 12 1 1 A 65 65 THR N N 80 129.658 121.042 8.616 1 1 230 . 12 1 1 A 66 66 GLU H H 81 8.354 8.595 -0.241 1 1 231 . 12 1 1 A 66 66 GLU CA C 81 60.236 57.813 2.423 1 1 232 . 12 1 1 A 66 66 GLU CB C 81 30.136 40.514 -10.378 1 1 233 . 12 1 1 A 66 66 GLU N N 81 123.573 122.840 0.733 1 1 234 . 12 1 1 A 67 67 ILE H H 82 7.922 7.965 -0.043 1 1 235 . 12 1 1 A 67 67 ILE CA C 82 66.084 58.973 7.111 1 1 236 . 12 1 1 A 67 67 ILE CB C 82 37.806 29.290 8.516 1 1 237 . 12 1 1 A 67 67 ILE N N 82 119.503 117.994 1.509 1 1 238 . 12 1 1 A 68 68 SER H H 83 7.214 7.865 -0.651 1 1 239 . 12 1 1 A 68 68 SER CA C 83 63.512 56.255 7.257 1 1 240 . 12 1 1 A 68 68 SER CB C 83 62.330 30.592 31.738 1 1 241 . 12 1 1 A 68 68 SER N N 83 112.464 118.744 -6.280 1 1 242 . 12 1 1 A 69 69 GLU H H 84 8.224 8.508 -0.284 1 1 243 . 12 1 1 A 69 69 GLU CA C 84 59.597 52.968 6.629 1 1 244 . 12 1 1 A 69 69 GLU CB C 84 29.640 30.405 -0.765 1 1 245 . 12 1 1 A 69 69 GLU N N 84 120.267 126.299 -6.032 1 1 247 . 12 1 1 A 70 70 LEU CA C 85 57.423 64.535 -7.112 1 1 248 . 12 1 1 A 70 70 LEU CB C 85 42.942 31.989 10.953 1 1 249 . 12 1 1 A 70 70 LEU N N 85 119.797 140.550 -20.753 1 1 250 . 12 1 1 A 71 71 SER H H 86 8.580 8.162 0.418 1 1 251 . 12 1 1 A 71 71 SER CA C 86 62.310 57.133 5.177 1 1 252 . 12 1 1 A 71 71 SER CB C 86 62.306 30.773 31.533 1 1 253 . 12 1 1 A 71 71 SER N N 86 114.965 116.739 -1.774 1 1 254 . 12 1 1 A 72 72 HIS H H 87 7.189 7.921 -0.732 1 1 255 . 12 1 1 A 72 72 HIS CA C 87 57.593 53.533 4.060 1 1 256 . 12 1 1 A 72 72 HIS CB C 87 28.816 44.296 -15.480 1 1 257 . 12 1 1 A 72 72 HIS N N 87 119.159 119.645 -0.486 1 1 258 . 12 1 1 A 73 73 ASN H H 88 8.148 8.867 -0.719 1 1 261 . 12 1 1 A 73 73 ASN CA C 88 52.994 58.608 -5.614 1 1 262 . 12 1 1 A 73 73 ASN CB C 88 38.894 29.165 9.729 1 1 263 . 12 1 1 A 73 73 ASN N N 88 116.602 122.245 -5.643 1 1 265 . 12 1 1 A 74 74 PHE H H 89 7.623 7.866 -0.243 1 1 266 . 12 1 1 A 74 74 PHE CA C 89 56.882 57.213 -0.331 1 1 267 . 12 1 1 A 74 74 PHE CB C 89 44.873 40.348 4.525 1 1 268 . 12 1 1 A 74 74 PHE N N 89 114.645 118.913 -4.268 1 1 269 . 12 1 1 A 75 75 VAL H H 90 8.952 6.862 2.090 1 1 270 . 12 1 1 A 75 75 VAL CA C 90 63.301 57.682 5.619 1 1 271 . 12 1 1 A 75 75 VAL CB C 90 31.213 39.393 -8.180 1 1 272 . 12 1 1 A 75 75 VAL N N 90 120.004 115.279 4.725 1 1 273 . 12 1 1 A 76 76 MET H H 91 7.486 8.437 -0.951 1 1 274 . 12 1 1 A 76 76 MET CA C 91 53.528 56.005 -2.477 1 1 275 . 12 1 1 A 76 76 MET CB C 91 30.717 63.654 -32.937 1 1 276 . 12 1 1 A 76 76 MET N N 91 129.189 115.920 13.269 1 1 278 . 12 1 1 A 77 77 VAL CA C 92 60.953 63.821 -2.868 1 1 279 . 12 1 1 A 77 77 VAL CB C 92 37.090 32.547 4.543 1 1 280 . 12 1 1 A 77 77 VAL N N 92 122.955 136.463 -13.508 1 1 281 . 12 1 1 A 78 78 ASN H H 93 10.248 8.189 2.059 1 1 283 . 12 1 1 A 78 78 ASN CA C 93 52.125 55.016 -2.891 1 1 284 . 12 1 1 A 78 78 ASN CB C 93 41.857 41.185 0.672 1 1 285 . 12 1 1 A 78 78 ASN N N 93 126.507 118.096 8.411 1 1 287 . 12 1 1 A 79 79 LEU H H 94 9.104 7.812 1.292 1 1 288 . 12 1 1 A 79 79 LEU CA C 94 52.410 46.382 6.028 1 1 290 . 12 1 1 A 79 79 LEU N N 94 123.073 108.038 15.035 1 1 291 . 12 1 1 A 80 80 GLU H H 95 9.161 7.379 1.782 1 1 292 . 12 1 1 A 80 80 GLU CA C 95 53.391 45.615 7.776 1 1 294 . 12 1 1 A 80 80 GLU N N 95 125.765 104.919 20.846 1 1 295 . 12 1 1 A 81 81 ASP H H 96 8.107 7.651 0.456 1 1 296 . 12 1 1 A 81 81 ASP CA C 96 57.563 58.041 -0.478 1 1 297 . 12 1 1 A 81 81 ASP CB C 96 38.605 40.113 -1.508 1 1 298 . 12 1 1 A 81 81 ASP N N 96 126.380 118.963 7.417 1 1 299 . 12 1 1 A 82 82 GLU H H 97 8.836 8.966 -0.130 1 1 300 . 12 1 1 A 82 82 GLU CA C 97 58.555 57.449 1.106 1 1 301 . 12 1 1 A 82 82 GLU CB C 97 28.422 41.174 -12.752 1 1 302 . 12 1 1 A 82 82 GLU N N 97 123.966 114.334 9.632 1 1 304 . 12 1 1 A 83 83 GLU CA C 98 56.619 62.182 -5.563 1 1 305 . 12 1 1 A 83 83 GLU CB C 98 30.722 32.770 -2.048 1 1 306 . 12 1 1 A 83 83 GLU N N 98 118.069 142.277 -24.208 1 1 307 . 12 1 1 A 84 84 GLU H H 99 7.298 7.813 -0.515 1 1 308 . 12 1 1 A 84 84 GLU CA C 99 54.482 53.955 0.527 1 1 309 . 12 1 1 A 84 84 GLU CB C 99 29.535 33.756 -4.221 1 1 310 . 12 1 1 A 84 84 GLU N N 99 119.571 121.423 -1.852 1 1 311 . 12 1 1 A 85 85 PRO CA C 100 62.512 59.139 3.373 1 1 312 . 12 1 1 A 85 85 PRO CB C 100 32.805 39.889 -7.084 1 1 313 . 12 1 1 A 86 86 LYS H H 101 8.640 8.728 -0.088 1 1 314 . 12 1 1 A 86 86 LYS CA C 101 55.615 54.073 1.542 1 1 315 . 12 1 1 A 86 86 LYS CB C 101 31.117 45.044 -13.927 1 1 316 . 12 1 1 A 86 86 LYS N N 101 122.999 117.727 5.272 1 1 317 . 12 1 1 A 87 87 ASP H H 102 7.395 8.324 -0.929 1 1 318 . 12 1 1 A 87 87 ASP CA C 102 54.233 57.627 -3.394 1 1 319 . 12 1 1 A 87 87 ASP CB C 102 42.084 41.158 0.926 1 1 320 . 12 1 1 A 87 87 ASP N N 102 119.006 120.890 -1.884 1 1 321 . 12 1 1 A 88 88 GLU H H 103 9.217 8.752 0.465 1 1 322 . 12 1 1 A 88 88 GLU CA C 103 58.996 53.621 5.375 1 1 323 . 12 1 1 A 88 88 GLU CB C 103 29.226 45.331 -16.105 1 1 324 . 12 1 1 A 88 88 GLU N N 103 127.412 118.642 8.770 1 1 325 . 12 1 1 A 89 89 ASP H H 104 9.043 8.577 0.466 1 1 326 . 12 1 1 A 89 89 ASP CA C 104 56.138 52.723 3.415 1 1 327 . 12 1 1 A 89 89 ASP CB C 104 39.487 40.336 -0.849 1 1 328 . 12 1 1 A 89 89 ASP N N 104 121.056 119.679 1.377 1 1 330 . 12 1 1 A 90 90 PHE CA C 105 58.124 63.133 -5.009 1 1 331 . 12 1 1 A 90 90 PHE CB C 105 38.909 30.967 7.942 1 1 332 . 12 1 1 A 90 90 PHE N N 105 111.473 138.810 -27.337 1 1 333 . 12 1 1 A 91 91 SER H H 106 7.907 8.079 -0.172 1 1 334 . 12 1 1 A 91 91 SER CA C 106 55.565 58.367 -2.802 1 1 335 . 12 1 1 A 91 91 SER CB C 106 63.139 65.919 -2.780 1 1 336 . 12 1 1 A 91 91 SER N N 106 115.544 115.397 0.147 1 1 337 . 12 1 1 A 92 92 PRO CA C 107 65.329 45.239 20.090 1 1 339 . 12 1 1 A 93 93 ASP H H 108 9.095 7.488 1.607 1 1 340 . 12 1 1 A 93 93 ASP CA C 108 52.726 55.022 -2.296 1 1 341 . 12 1 1 A 93 93 ASP CB C 108 40.551 32.408 8.143 1 1 342 . 12 1 1 A 93 93 ASP N N 108 115.482 120.995 -5.513 1 1 343 . 12 1 1 A 94 94 GLY H H 109 6.947 7.912 -0.965 1 1 344 . 12 1 1 A 94 94 GLY CA C 109 44.385 63.346 -18.961 1 1 345 . 12 1 1 A 94 94 GLY N N 109 106.691 125.911 -19.220 1 1 346 . 12 1 1 A 95 95 GLY H H 110 8.423 8.222 0.201 1 1 347 . 12 1 1 A 95 95 GLY CA C 110 45.873 53.618 -7.745 1 1 348 . 12 1 1 A 95 95 GLY N N 110 107.178 127.099 -19.921 1 1 350 . 12 1 1 A 96 96 TYR CA C 111 55.619 63.475 -7.856 1 1 351 . 12 1 1 A 96 96 TYR CB C 111 38.312 30.447 7.865 1 1 352 . 12 1 1 A 96 96 TYR N N 111 116.246 141.088 -24.842 1 1 353 . 12 1 1 A 97 97 ILE H H 112 7.878 9.285 -1.407 1 1 354 . 12 1 1 A 97 97 ILE CA C 112 58.650 59.485 -0.835 1 1 355 . 12 1 1 A 97 97 ILE N N 112 113.713 120.358 -6.645 1 1 356 . 12 1 1 A 98 98 PRO CA C 113 62.337 61.041 1.296 1 1 357 . 12 1 1 A 98 98 PRO CB C 113 34.315 38.759 -4.444 1 1 358 . 12 1 1 A 99 99 ARG H H 114 8.514 8.480 0.034 1 1 359 . 12 1 1 A 99 99 ARG CA C 114 54.460 61.791 -7.331 1 1 360 . 12 1 1 A 99 99 ARG CB C 114 34.399 38.738 -4.339 1 1 361 . 12 1 1 A 99 99 ARG N N 114 117.550 121.257 -3.707 1 1 362 . 12 1 1 A 100 100 ILE H H 115 8.819 7.873 0.946 1 1 363 . 12 1 1 A 100 100 ILE CA C 115 60.937 52.536 8.401 1 1 364 . 12 1 1 A 100 100 ILE CB C 115 39.021 39.064 -0.043 1 1 365 . 12 1 1 A 100 100 ILE N N 115 122.056 119.783 2.273 1 1 366 . 12 1 1 A 101 101 LEU H H 116 8.692 8.346 0.346 1 1 367 . 12 1 1 A 101 101 LEU CA C 116 52.377 59.336 -6.959 1 1 368 . 12 1 1 A 101 101 LEU CB C 116 46.493 29.341 17.152 1 1 369 . 12 1 1 A 101 101 LEU N N 116 127.243 122.708 4.535 1 1 370 . 12 1 1 A 102 102 PHE H H 117 9.004 8.093 0.911 1 1 371 . 12 1 1 A 102 102 PHE CA C 117 57.076 54.594 2.482 1 1 372 . 12 1 1 A 102 102 PHE CB C 117 42.048 38.678 3.370 1 1 373 . 12 1 1 A 102 102 PHE N N 117 116.784 118.224 -1.440 1 1 374 . 12 1 1 A 103 103 LEU H H 118 9.303 8.363 0.940 1 1 375 . 12 1 1 A 103 103 LEU CA C 118 53.487 44.448 9.039 1 1 377 . 12 1 1 A 103 103 LEU N N 118 124.741 108.656 16.085 1 1 378 . 12 1 1 A 104 104 ASP H H 119 8.351 8.342 0.009 1 1 379 . 12 1 1 A 104 104 ASP CA C 119 52.555 51.274 1.281 1 1 380 . 12 1 1 A 104 104 ASP CB C 119 39.406 39.727 -0.321 1 1 381 . 12 1 1 A 104 104 ASP N N 119 117.539 120.300 -2.761 1 1 382 . 12 1 1 A 105 105 PRO CA C 120 65.106 62.818 2.288 1 1 383 . 12 1 1 A 105 105 PRO CB C 120 31.459 29.703 1.756 1 1 384 . 12 1 1 A 106 106 SER H H 121 8.229 8.180 0.049 1 1 385 . 12 1 1 A 106 106 SER CA C 121 58.891 57.234 1.657 1 1 386 . 12 1 1 A 106 106 SER CB C 121 64.061 63.920 0.141 1 1 387 . 12 1 1 A 106 106 SER N N 121 111.546 115.634 -4.088 1 1 388 . 12 1 1 A 107 107 GLY H H 122 8.970 7.988 0.982 1 1 389 . 12 1 1 A 107 107 GLY CA C 122 45.417 58.750 -13.333 1 1 390 . 12 1 1 A 107 107 GLY N N 122 111.616 120.492 -8.876 1 1 391 . 12 1 1 A 108 108 LYS H H 123 7.405 7.947 -0.542 1 1 392 . 12 1 1 A 108 108 LYS CA C 123 54.729 58.568 -3.839 1 1 393 . 12 1 1 A 108 108 LYS CB C 123 32.929 31.037 1.892 1 1 394 . 12 1 1 A 108 108 LYS N N 123 120.930 117.035 3.895 1 1 395 . 12 1 1 A 109 109 VAL H H 124 8.875 8.298 0.577 1 1 396 . 12 1 1 A 109 109 VAL CA C 124 64.103 60.545 3.558 1 1 397 . 12 1 1 A 109 109 VAL CB C 124 32.249 38.206 -5.957 1 1 398 . 12 1 1 A 109 109 VAL N N 124 126.925 120.407 6.518 1 1 399 . 12 1 1 A 110 110 HIS H H 125 8.911 8.122 0.789 1 1 400 . 12 1 1 A 110 110 HIS CA C 125 54.469 59.638 -5.169 1 1 401 . 12 1 1 A 110 110 HIS CB C 125 28.893 39.817 -10.924 1 1 402 . 12 1 1 A 110 110 HIS N N 125 127.112 122.217 4.895 1 1 403 . 12 1 1 A 111 111 PRO CA C 126 63.311 56.173 7.138 1 1 404 . 12 1 1 A 111 111 PRO CB C 126 32.232 38.951 -6.719 1 1 405 . 12 1 1 A 112 112 GLU H H 127 10.959 8.945 2.014 1 1 406 . 12 1 1 A 112 112 GLU CA C 127 57.439 60.683 -3.244 1 1 407 . 12 1 1 A 112 112 GLU CB C 127 27.174 30.919 -3.745 1 1 408 . 12 1 1 A 112 112 GLU N N 127 123.144 126.197 -3.053 1 1 409 . 12 1 1 A 113 113 ILE H H 128 7.493 7.833 -0.340 1 1 410 . 12 1 1 A 113 113 ILE CA C 128 61.518 57.287 4.231 1 1 411 . 12 1 1 A 113 113 ILE CB C 128 35.365 65.833 -30.468 1 1 412 . 12 1 1 A 113 113 ILE N N 128 123.479 122.041 1.438 1 1 413 . 12 1 1 A 114 114 ILE H H 129 8.300 8.958 -0.658 1 1 414 . 12 1 1 A 114 114 ILE CA C 129 59.109 54.499 4.610 1 1 415 . 12 1 1 A 114 114 ILE CB C 129 42.309 18.514 23.795 1 1 416 . 12 1 1 A 114 114 ILE N N 129 123.439 129.121 -5.682 1 1 417 . 12 1 1 A 115 115 ASN H H 130 8.622 8.151 0.471 1 1 420 . 12 1 1 A 115 115 ASN CA C 130 51.381 59.116 -7.735 1 1 421 . 12 1 1 A 115 115 ASN CB C 130 35.215 29.056 6.159 1 1 422 . 12 1 1 A 115 115 ASN N N 130 114.712 116.911 -2.199 1 1 424 . 12 1 1 A 116 116 GLU H H 131 8.463 7.982 0.481 1 1 425 . 12 1 1 A 116 116 GLU CA C 131 58.882 58.706 0.176 1 1 426 . 12 1 1 A 116 116 GLU CB C 131 29.606 27.966 1.640 1 1 427 . 12 1 1 A 116 116 GLU N N 131 127.900 118.692 9.208 1 1 428 . 12 1 1 A 117 117 ASN H H 132 7.545 7.210 0.335 1 1 431 . 12 1 1 A 117 117 ASN CA C 132 52.960 65.232 -12.272 1 1 432 . 12 1 1 A 117 117 ASN CB C 132 39.777 31.520 8.257 1 1 433 . 12 1 1 A 117 117 ASN N N 132 113.958 115.700 -1.742 1 1 435 . 12 1 1 A 118 118 GLY H H 133 7.109 7.307 -0.198 1 1 436 . 12 1 1 A 118 118 GLY CA C 133 44.662 64.804 -20.142 1 1 437 . 12 1 1 A 118 118 GLY N N 133 107.288 122.296 -15.008 1 1 438 . 12 1 1 A 119 119 ASN H H 134 8.795 8.290 0.505 1 1 441 . 12 1 1 A 119 119 ASN CA C 134 50.277 58.369 -8.092 1 1 442 . 12 1 1 A 119 119 ASN CB C 134 40.102 28.006 12.096 1 1 443 . 12 1 1 A 119 119 ASN N N 134 122.889 119.717 3.172 1 1 445 . 12 1 1 A 120 120 PRO CA C 135 64.320 46.444 17.876 1 1 447 . 12 1 1 A 121 121 SER H H 136 8.260 8.081 0.179 1 1 448 . 12 1 1 A 121 121 SER CA C 136 60.199 58.312 1.887 1 1 449 . 12 1 1 A 121 121 SER CB C 136 63.228 32.987 30.241 1 1 450 . 12 1 1 A 121 121 SER N N 136 113.554 119.397 -5.843 1 1 451 . 12 1 1 A 122 122 TYR H H 137 7.580 8.673 -1.093 1 1 452 . 12 1 1 A 122 122 TYR CA C 137 54.584 58.411 -3.827 1 1 453 . 12 1 1 A 122 122 TYR CB C 137 38.872 31.373 7.499 1 1 454 . 12 1 1 A 122 122 TYR N N 137 119.864 118.025 1.839 1 1 455 . 12 1 1 A 123 123 LYS H H 138 9.556 7.714 1.842 1 1 456 . 12 1 1 A 123 123 LYS CA C 138 60.415 58.789 1.626 1 1 457 . 12 1 1 A 123 123 LYS CB C 138 31.945 30.276 1.669 1 1 458 . 12 1 1 A 123 123 LYS N N 138 123.955 119.833 4.122 1 1 459 . 12 1 1 A 124 124 TYR H H 139 8.486 8.033 0.453 1 1 460 . 12 1 1 A 124 124 TYR CA C 139 56.009 54.900 1.109 1 1 461 . 12 1 1 A 124 124 TYR CB C 139 37.666 18.303 19.363 1 1 462 . 12 1 1 A 124 124 TYR N N 139 113.738 121.532 -7.794 1 1 463 . 12 1 1 A 125 125 PHE H H 140 7.562 8.581 -1.019 1 1 464 . 12 1 1 A 125 125 PHE CA C 140 56.561 58.389 -1.828 1 1 465 . 12 1 1 A 125 125 PHE CB C 140 40.897 27.703 13.194 1 1 466 . 12 1 1 A 125 125 PHE N N 140 122.592 115.531 7.061 1 1 467 . 12 1 1 A 126 126 TYR H H 141 8.133 8.259 -0.126 1 1 468 . 12 1 1 A 126 126 TYR CA C 141 57.326 56.840 0.486 1 1 469 . 12 1 1 A 126 126 TYR CB C 141 41.768 31.316 10.452 1 1 470 . 12 1 1 A 126 126 TYR N N 141 129.225 117.042 12.183 1 1 471 . 12 1 1 A 127 127 VAL H H 142 8.081 7.760 0.321 1 1 472 . 12 1 1 A 127 127 VAL CA C 142 61.414 58.034 3.380 1 1 473 . 12 1 1 A 127 127 VAL CB C 142 34.245 29.894 4.351 1 1 474 . 12 1 1 A 127 127 VAL N N 142 112.892 119.361 -6.469 1 1 475 . 12 1 1 A 128 128 SER H H 143 7.362 8.133 -0.771 1 1 476 . 12 1 1 A 128 128 SER CA C 143 55.028 55.480 -0.452 1 1 477 . 12 1 1 A 128 128 SER CB C 143 67.261 43.152 24.109 1 1 478 . 12 1 1 A 128 128 SER N N 143 112.848 121.551 -8.703 1 1 479 . 12 1 1 A 129 129 ALA H H 144 9.331 7.927 1.404 1 1 480 . 12 1 1 A 129 129 ALA CA C 144 55.568 64.439 -8.871 1 1 481 . 12 1 1 A 129 129 ALA CB C 144 18.005 69.876 -51.871 1 1 482 . 12 1 1 A 129 129 ALA N N 144 124.250 112.953 11.297 1 1 483 . 12 1 1 A 130 130 GLU H H 145 9.152 8.108 1.044 1 1 484 . 12 1 1 A 130 130 GLU CA C 145 60.626 45.375 15.251 1 1 486 . 12 1 1 A 130 130 GLU N N 145 116.980 108.155 8.825 1 1 487 . 12 1 1 A 131 131 GLN H H 146 7.621 8.164 -0.543 1 1 490 . 12 1 1 A 131 131 GLN CA C 146 58.552 55.632 2.920 1 1 491 . 12 1 1 A 131 131 GLN CB C 146 29.038 39.166 -10.128 1 1 492 . 12 1 1 A 131 131 GLN N N 146 117.565 114.602 2.963 1 1 494 . 12 1 1 A 132 132 VAL H H 147 7.780 7.815 -0.035 1 1 495 . 12 1 1 A 132 132 VAL CA C 147 66.928 53.768 13.160 1 1 496 . 12 1 1 A 132 132 VAL CB C 147 31.324 19.070 12.254 1 1 497 . 12 1 1 A 132 132 VAL N N 147 121.486 119.183 2.303 1 1 498 . 12 1 1 A 133 133 VAL H H 148 8.609 8.079 0.530 1 1 499 . 12 1 1 A 133 133 VAL CA C 148 67.053 60.702 6.351 1 1 500 . 12 1 1 A 133 133 VAL CB C 148 31.927 37.638 -5.711 1 1 501 . 12 1 1 A 133 133 VAL N N 148 119.560 114.186 5.374 1 1 502 . 12 1 1 A 134 134 GLN H H 149 7.365 6.650 0.715 1 1 505 . 12 1 1 A 134 134 GLN CA C 149 59.382 56.033 3.349 1 1 506 . 12 1 1 A 134 134 GLN CB C 149 27.860 30.650 -2.790 1 1 507 . 12 1 1 A 134 134 GLN N N 149 117.080 121.011 -3.931 1 1 509 . 12 1 1 A 135 135 GLY H H 150 8.085 8.538 -0.453 1 1 510 . 12 1 1 A 135 135 GLY CA C 150 47.499 57.190 -9.691 1 1 511 . 12 1 1 A 135 135 GLY N N 150 107.849 125.112 -17.263 1 1 512 . 12 1 1 A 136 136 MET H H 151 8.593 8.735 -0.142 1 1 513 . 12 1 1 A 136 136 MET CA C 151 59.730 56.855 2.875 1 1 514 . 12 1 1 A 136 136 MET CB C 151 35.435 32.470 2.965 1 1 515 . 12 1 1 A 136 136 MET N N 151 119.390 124.024 -4.634 1 1 516 . 12 1 1 A 137 137 LYS H H 152 8.591 8.448 0.143 1 1 517 . 12 1 1 A 137 137 LYS CA C 152 60.659 56.047 4.612 1 1 518 . 12 1 1 A 137 137 LYS CB C 152 32.617 27.994 4.623 1 1 519 . 12 1 1 A 137 137 LYS N N 152 119.226 115.970 3.256 1 1 520 . 12 1 1 A 138 138 GLU H H 153 7.870 8.103 -0.233 1 1 521 . 12 1 1 A 138 138 GLU CA C 153 59.134 53.996 5.138 1 1 522 . 12 1 1 A 138 138 GLU CB C 153 28.879 43.947 -15.068 1 1 523 . 12 1 1 A 138 138 GLU N N 153 120.709 121.910 -1.201 1 1 524 . 12 1 1 A 139 139 ALA H H 154 8.493 8.370 0.123 1 1 525 . 12 1 1 A 139 139 ALA CA C 154 55.450 54.997 0.453 1 1 526 . 12 1 1 A 139 139 ALA CB C 154 18.695 32.919 -14.224 1 1 527 . 12 1 1 A 139 139 ALA N N 154 120.598 123.827 -3.229 1 1 528 . 12 1 1 A 140 140 GLN H H 155 8.582 9.074 -0.492 1 1 531 . 12 1 1 A 140 140 GLN CA C 155 59.239 56.677 2.562 1 1 532 . 12 1 1 A 140 140 GLN CB C 155 28.027 41.103 -13.076 1 1 533 . 12 1 1 A 140 140 GLN N N 155 116.438 121.795 -5.357 1 1 535 . 12 1 1 A 141 141 GLU H H 156 7.563 7.527 0.036 1 1 536 . 12 1 1 A 141 141 GLU CA C 156 58.896 58.741 0.155 1 1 537 . 12 1 1 A 141 141 GLU CB C 156 29.885 28.798 1.087 1 1 538 . 12 1 1 A 141 141 GLU N N 156 118.759 117.829 0.930 1 1 1 . 13 1 1 A 7 7 HIS CA C 22 56.307 55.210 1.097 1 1 2 . 13 1 1 A 7 7 HIS CB C 22 30.341 29.149 1.192 1 1 3 . 13 1 1 A 8 8 MET H H 23 8.449 8.081 0.368 1 1 4 . 13 1 1 A 8 8 MET CA C 23 55.742 61.310 -5.568 1 1 5 . 13 1 1 A 8 8 MET CB C 23 32.842 38.697 -5.855 1 1 6 . 13 1 1 A 8 8 MET N N 23 122.176 123.935 -1.759 1 1 7 . 13 1 1 A 9 9 SER H H 24 8.428 6.414 2.014 1 1 8 . 13 1 1 A 9 9 SER CA C 24 58.412 55.325 3.087 1 1 9 . 13 1 1 A 9 9 SER CB C 24 63.900 28.826 35.074 1 1 10 . 13 1 1 A 9 9 SER N N 24 116.789 118.376 -1.587 1 1 11 . 13 1 1 A 10 10 ASP H H 25 8.382 7.258 1.124 1 1 12 . 13 1 1 A 10 10 ASP CA C 25 54.487 56.635 -2.148 1 1 13 . 13 1 1 A 10 10 ASP CB C 25 41.285 31.657 9.628 1 1 14 . 13 1 1 A 10 10 ASP N N 25 122.384 117.976 4.408 1 1 15 . 13 1 1 A 11 11 GLY H H 26 8.363 7.782 0.581 1 1 16 . 13 1 1 A 11 11 GLY CA C 26 45.546 58.678 -13.132 1 1 17 . 13 1 1 A 11 11 GLY N N 26 108.671 119.218 -10.547 1 1 18 . 13 1 1 A 12 12 HIS H H 27 8.350 7.565 0.785 1 1 19 . 13 1 1 A 12 12 HIS CA C 27 56.103 61.096 -4.993 1 1 20 . 13 1 1 A 12 12 HIS CB C 27 29.813 70.839 -41.026 1 1 21 . 13 1 1 A 12 12 HIS N N 27 118.814 108.536 10.278 1 1 22 . 13 1 1 A 13 13 ASN H H 28 8.505 8.846 -0.341 1 1 25 . 13 1 1 A 13 13 ASN CA C 28 53.482 58.637 -5.155 1 1 26 . 13 1 1 A 13 13 ASN CB C 28 39.386 41.582 -2.196 1 1 27 . 13 1 1 A 13 13 ASN N N 28 119.523 124.482 -4.959 1 1 29 . 13 1 1 A 14 14 GLY H H 29 8.743 8.269 0.474 1 1 30 . 13 1 1 A 14 14 GLY CA C 29 45.534 59.450 -13.916 1 1 31 . 13 1 1 A 14 14 GLY N N 29 110.136 118.788 -8.652 1 1 32 . 13 1 1 A 15 15 LEU H H 30 8.466 8.480 -0.014 1 1 33 . 13 1 1 A 15 15 LEU CA C 30 56.146 57.192 -1.046 1 1 34 . 13 1 1 A 15 15 LEU CB C 30 42.864 40.273 2.591 1 1 35 . 13 1 1 A 15 15 LEU N N 30 120.511 119.893 0.618 1 1 36 . 13 1 1 A 16 16 GLY H H 31 8.886 8.121 0.765 1 1 37 . 13 1 1 A 16 16 GLY CA C 31 47.064 47.158 -0.094 1 1 38 . 13 1 1 A 16 16 GLY N N 31 108.073 108.466 -0.393 1 1 39 . 13 1 1 A 17 17 LYS H H 32 7.854 7.936 -0.082 1 1 40 . 13 1 1 A 17 17 LYS CA C 32 55.661 59.255 -3.594 1 1 41 . 13 1 1 A 17 17 LYS CB C 32 29.379 32.468 -3.089 1 1 42 . 13 1 1 A 17 17 LYS N N 32 110.952 121.952 -11.000 1 1 43 . 13 1 1 A 18 18 GLY H H 33 8.095 7.556 0.539 1 1 44 . 13 1 1 A 18 18 GLY CA C 33 44.893 59.397 -14.504 1 1 45 . 13 1 1 A 18 18 GLY N N 33 103.957 119.117 -15.160 1 1 46 . 13 1 1 A 19 19 PHE H H 34 7.887 7.704 0.183 1 1 47 . 13 1 1 A 19 19 PHE CA C 34 61.146 59.406 1.740 1 1 48 . 13 1 1 A 19 19 PHE CB C 34 38.963 29.536 9.427 1 1 49 . 13 1 1 A 19 19 PHE N N 34 117.883 118.682 -0.799 1 1 50 . 13 1 1 A 20 20 GLY H H 35 7.696 8.379 -0.683 1 1 51 . 13 1 1 A 20 20 GLY CA C 35 45.189 54.666 -9.477 1 1 52 . 13 1 1 A 20 20 GLY N N 35 102.668 121.670 -19.002 1 1 53 . 13 1 1 A 21 21 ASP H H 36 9.284 7.573 1.711 1 1 54 . 13 1 1 A 21 21 ASP CA C 36 56.026 54.966 1.060 1 1 55 . 13 1 1 A 21 21 ASP CB C 36 40.543 18.710 21.833 1 1 56 . 13 1 1 A 21 21 ASP N N 36 129.289 119.945 9.344 1 1 57 . 13 1 1 A 22 22 HIS H H 37 9.058 7.916 1.142 1 1 58 . 13 1 1 A 22 22 HIS CA C 37 56.628 55.249 1.379 1 1 59 . 13 1 1 A 22 22 HIS CB C 37 29.941 18.696 11.245 1 1 60 . 13 1 1 A 22 22 HIS N N 37 116.742 120.616 -3.874 1 1 61 . 13 1 1 A 23 23 ILE H H 38 6.449 7.427 -0.978 1 1 62 . 13 1 1 A 23 23 ILE CA C 38 59.183 58.882 0.301 1 1 63 . 13 1 1 A 23 23 ILE CB C 38 39.408 63.433 -24.025 1 1 64 . 13 1 1 A 23 23 ILE N N 38 124.704 113.207 11.497 1 1 65 . 13 1 1 A 24 24 HIS H H 39 7.857 8.375 -0.518 1 1 66 . 13 1 1 A 24 24 HIS CA C 39 52.931 46.117 6.814 1 1 68 . 13 1 1 A 24 24 HIS N N 39 124.600 110.263 14.337 1 1 69 . 13 1 1 A 25 25 TRP H H 40 8.032 7.651 0.381 1 1 71 . 13 1 1 A 25 25 TRP CA C 40 57.058 51.989 5.069 1 1 72 . 13 1 1 A 25 25 TRP CB C 40 30.411 42.596 -12.185 1 1 73 . 13 1 1 A 25 25 TRP N N 40 130.002 118.079 11.923 1 1 76 . 13 1 1 A 26 26 ARG CA C 41 54.500 62.267 -7.767 1 1 77 . 13 1 1 A 26 26 ARG CB C 41 35.055 31.979 3.076 1 1 78 . 13 1 1 A 26 26 ARG N N 41 122.005 134.956 -12.951 1 1 79 . 13 1 1 A 27 27 THR H H 42 8.562 8.020 0.542 1 1 80 . 13 1 1 A 27 27 THR CA C 42 61.294 54.291 7.003 1 1 81 . 13 1 1 A 27 27 THR CB C 42 70.325 42.680 27.645 1 1 82 . 13 1 1 A 27 27 THR N N 42 111.261 122.018 -10.757 1 1 83 . 13 1 1 A 28 28 LEU H H 43 8.994 9.201 -0.207 1 1 84 . 13 1 1 A 28 28 LEU CA C 43 59.121 53.968 5.153 1 1 85 . 13 1 1 A 28 28 LEU CB C 43 41.515 33.610 7.905 1 1 86 . 13 1 1 A 28 28 LEU N N 43 121.976 123.104 -1.128 1 1 87 . 13 1 1 A 29 29 GLU H H 44 8.759 8.290 0.469 1 1 88 . 13 1 1 A 29 29 GLU CA C 44 59.928 62.322 -2.394 1 1 89 . 13 1 1 A 29 29 GLU CB C 44 29.342 30.927 -1.585 1 1 90 . 13 1 1 A 29 29 GLU N N 44 116.492 125.957 -9.465 1 1 91 . 13 1 1 A 30 30 ASP H H 45 7.692 8.839 -1.147 1 1 92 . 13 1 1 A 30 30 ASP CA C 45 57.131 60.335 -3.204 1 1 93 . 13 1 1 A 30 30 ASP CB C 45 40.093 39.645 0.448 1 1 94 . 13 1 1 A 30 30 ASP N N 45 119.105 128.402 -9.297 1 1 95 . 13 1 1 A 31 31 GLY H H 46 9.224 9.101 0.123 1 1 96 . 13 1 1 A 31 31 GLY CA C 46 47.426 60.143 -12.717 1 1 97 . 13 1 1 A 31 31 GLY N N 46 111.508 128.157 -16.649 1 1 98 . 13 1 1 A 32 32 LYS H H 47 8.691 8.643 0.048 1 1 99 . 13 1 1 A 32 32 LYS CA C 47 60.968 54.373 6.595 1 1 100 . 13 1 1 A 32 32 LYS CB C 47 32.534 32.821 -0.287 1 1 101 . 13 1 1 A 32 32 LYS N N 47 121.519 123.979 -2.460 1 1 102 . 13 1 1 A 33 33 LYS H H 48 7.234 8.626 -1.392 1 1 103 . 13 1 1 A 33 33 LYS CA C 48 59.734 54.518 5.216 1 1 104 . 13 1 1 A 33 33 LYS CB C 48 32.349 35.746 -3.397 1 1 105 . 13 1 1 A 33 33 LYS N N 48 119.937 123.419 -3.482 1 1 106 . 13 1 1 A 34 34 GLU H H 49 8.179 8.587 -0.408 1 1 107 . 13 1 1 A 34 34 GLU CA C 49 58.911 58.791 0.120 1 1 108 . 13 1 1 A 34 34 GLU CB C 49 29.393 63.015 -33.622 1 1 109 . 13 1 1 A 34 34 GLU N N 49 121.748 116.644 5.104 1 1 110 . 13 1 1 A 35 35 ALA H H 50 9.142 8.817 0.325 1 1 111 . 13 1 1 A 35 35 ALA CA C 50 56.068 57.054 -0.986 1 1 112 . 13 1 1 A 35 35 ALA CB C 50 19.504 29.205 -9.701 1 1 113 . 13 1 1 A 35 35 ALA N N 50 125.093 120.969 4.124 1 1 114 . 13 1 1 A 36 36 ALA H H 51 7.548 8.591 -1.043 1 1 115 . 13 1 1 A 36 36 ALA CA C 51 54.765 57.436 -2.671 1 1 116 . 13 1 1 A 36 36 ALA CB C 51 18.095 29.563 -11.468 1 1 117 . 13 1 1 A 36 36 ALA N N 51 118.057 125.652 -7.595 1 1 118 . 13 1 1 A 37 37 ALA H H 52 7.517 8.454 -0.937 1 1 119 . 13 1 1 A 37 37 ALA CA C 52 54.200 45.848 8.352 1 1 121 . 13 1 1 A 37 37 ALA N N 52 118.541 114.435 4.106 1 1 122 . 13 1 1 A 38 38 SER H H 53 8.330 8.232 0.098 1 1 123 . 13 1 1 A 38 38 SER CA C 53 59.095 53.929 5.166 1 1 124 . 13 1 1 A 38 38 SER CB C 53 65.540 17.797 47.743 1 1 125 . 13 1 1 A 38 38 SER N N 53 110.905 124.224 -13.319 1 1 126 . 13 1 1 A 39 39 GLY H H 54 8.454 7.297 1.157 1 1 127 . 13 1 1 A 39 39 GLY CA C 54 46.559 60.017 -13.458 1 1 128 . 13 1 1 A 39 39 GLY N N 54 112.427 115.728 -3.301 1 1 129 . 13 1 1 A 40 40 LEU H H 55 7.580 8.043 -0.463 1 1 130 . 13 1 1 A 40 40 LEU CA C 55 51.891 59.349 -7.458 1 1 131 . 13 1 1 A 40 40 LEU CB C 55 43.061 32.412 10.649 1 1 132 . 13 1 1 A 40 40 LEU N N 55 121.312 121.358 -0.046 1 1 133 . 13 1 1 A 41 41 PRO CA C 56 61.426 55.002 6.424 1 1 134 . 13 1 1 A 41 41 PRO CB C 56 32.878 18.459 14.419 1 1 135 . 13 1 1 A 42 42 LEU H H 57 8.447 8.136 0.311 1 1 136 . 13 1 1 A 42 42 LEU CA C 57 55.025 58.055 -3.030 1 1 137 . 13 1 1 A 42 42 LEU CB C 57 44.360 41.502 2.858 1 1 138 . 13 1 1 A 42 42 LEU N N 57 116.186 118.891 -2.705 1 1 139 . 13 1 1 A 43 43 MET H H 58 8.610 8.025 0.585 1 1 140 . 13 1 1 A 43 43 MET CA C 58 54.951 61.149 -6.198 1 1 141 . 13 1 1 A 43 43 MET CB C 58 34.319 31.122 3.197 1 1 142 . 13 1 1 A 43 43 MET N N 58 124.827 117.604 7.223 1 1 144 . 13 1 1 A 44 44 VAL CA C 59 60.237 65.286 -5.049 1 1 145 . 13 1 1 A 44 44 VAL CB C 59 34.052 31.030 3.022 1 1 146 . 13 1 1 A 44 44 VAL N N 59 125.176 132.407 -7.231 1 1 147 . 13 1 1 A 45 45 ILE H H 60 8.512 8.571 -0.059 1 1 148 . 13 1 1 A 45 45 ILE CA C 60 60.138 58.850 1.288 1 1 149 . 13 1 1 A 45 45 ILE CB C 60 40.622 32.770 7.852 1 1 150 . 13 1 1 A 45 45 ILE N N 60 125.614 116.060 9.554 1 1 151 . 13 1 1 A 46 46 ILE H H 61 9.528 8.765 0.763 1 1 152 . 13 1 1 A 46 46 ILE CA C 61 61.356 61.470 -0.114 1 1 153 . 13 1 1 A 46 46 ILE CB C 61 39.017 39.583 -0.566 1 1 154 . 13 1 1 A 46 46 ILE N N 61 130.237 121.110 9.127 1 1 155 . 13 1 1 A 47 47 HIS H H 62 8.926 8.118 0.808 1 1 156 . 13 1 1 A 47 47 HIS CA C 62 54.153 54.914 -0.761 1 1 157 . 13 1 1 A 47 47 HIS CB C 62 35.638 18.244 17.394 1 1 158 . 13 1 1 A 47 47 HIS N N 62 121.634 121.214 0.420 1 1 159 . 13 1 1 A 48 48 LYS H H 63 7.798 8.645 -0.847 1 1 160 . 13 1 1 A 48 48 LYS CA C 63 52.412 58.621 -6.209 1 1 161 . 13 1 1 A 48 48 LYS CB C 63 33.666 29.684 3.982 1 1 162 . 13 1 1 A 48 48 LYS N N 63 116.188 119.414 -3.226 1 1 163 . 13 1 1 A 49 49 SER H H 64 10.807 8.796 2.011 1 1 164 . 13 1 1 A 49 49 SER CA C 64 60.779 60.602 0.177 1 1 165 . 13 1 1 A 49 49 SER CB C 64 62.612 62.243 0.369 1 1 166 . 13 1 1 A 49 49 SER N N 64 121.963 115.479 6.484 1 1 167 . 13 1 1 A 50 50 TRP H H 65 6.564 7.985 -1.421 1 1 169 . 13 1 1 A 50 50 TRP CA C 65 54.246 65.927 -11.681 1 1 170 . 13 1 1 A 50 50 TRP CB C 65 29.500 68.326 -38.826 1 1 171 . 13 1 1 A 50 50 TRP N N 65 115.717 114.148 1.569 1 1 173 . 13 1 1 A 51 51 CYS H H 66 6.689 8.092 -1.403 1 1 174 . 13 1 1 A 51 51 CYS CA C 66 60.195 59.132 1.063 1 1 175 . 13 1 1 A 51 51 CYS CB C 66 30.909 29.236 1.673 1 1 176 . 13 1 1 A 51 51 CYS N N 66 125.894 120.334 5.560 1 1 177 . 13 1 1 A 52 52 GLY H H 67 9.301 7.888 1.413 1 1 178 . 13 1 1 A 52 52 GLY CA C 67 47.510 63.236 -15.726 1 1 179 . 13 1 1 A 52 52 GLY N N 67 119.542 121.929 -2.387 1 1 180 . 13 1 1 A 53 53 ALA H H 68 9.861 8.227 1.634 1 1 181 . 13 1 1 A 53 53 ALA CA C 68 55.404 61.111 -5.707 1 1 182 . 13 1 1 A 53 53 ALA CB C 68 18.521 63.357 -44.836 1 1 183 . 13 1 1 A 53 53 ALA N N 68 133.080 117.036 16.044 1 1 184 . 13 1 1 A 54 54 CYS H H 69 9.891 7.831 2.060 1 1 185 . 13 1 1 A 54 54 CYS CA C 69 64.497 58.108 6.389 1 1 186 . 13 1 1 A 54 54 CYS CB C 69 29.057 30.585 -1.528 1 1 187 . 13 1 1 A 54 54 CYS N N 69 127.404 118.368 9.036 1 1 188 . 13 1 1 A 55 55 LYS H H 70 8.059 8.066 -0.007 1 1 189 . 13 1 1 A 55 55 LYS CA C 70 59.840 57.891 1.949 1 1 190 . 13 1 1 A 55 55 LYS CB C 70 32.942 41.674 -8.732 1 1 191 . 13 1 1 A 55 55 LYS N N 70 118.141 123.017 -4.876 1 1 192 . 13 1 1 A 56 56 ALA H H 71 7.517 8.081 -0.564 1 1 193 . 13 1 1 A 56 56 ALA CA C 71 53.989 61.872 -7.883 1 1 194 . 13 1 1 A 56 56 ALA CB C 71 18.501 62.732 -44.231 1 1 195 . 13 1 1 A 56 56 ALA N N 71 118.540 114.235 4.305 1 1 196 . 13 1 1 A 57 57 LEU H H 72 7.351 7.465 -0.114 1 1 197 . 13 1 1 A 57 57 LEU CA C 72 56.998 58.641 -1.643 1 1 198 . 13 1 1 A 57 57 LEU CB C 72 42.256 29.456 12.800 1 1 199 . 13 1 1 A 57 57 LEU N N 72 117.293 118.627 -1.334 1 1 200 . 13 1 1 A 58 58 LYS H H 73 7.101 7.969 -0.868 1 1 201 . 13 1 1 A 58 58 LYS CA C 73 62.302 56.205 6.097 1 1 202 . 13 1 1 A 58 58 LYS CB C 73 30.098 39.461 -9.363 1 1 203 . 13 1 1 A 58 58 LYS N N 73 115.956 116.163 -0.207 1 1 204 . 13 1 1 A 59 59 PRO CA C 74 65.581 56.333 9.248 1 1 205 . 13 1 1 A 59 59 PRO CB C 74 30.726 43.683 -12.957 1 1 206 . 13 1 1 A 60 60 LYS H H 75 6.694 8.511 -1.817 1 1 207 . 13 1 1 A 60 60 LYS CA C 75 58.353 60.108 -1.755 1 1 208 . 13 1 1 A 60 60 LYS CB C 75 32.606 35.848 -3.242 1 1 209 . 13 1 1 A 60 60 LYS N N 75 115.897 118.726 -2.829 1 1 210 . 13 1 1 A 61 61 PHE H H 76 8.285 8.649 -0.364 1 1 211 . 13 1 1 A 61 61 PHE CA C 76 60.241 55.536 4.705 1 1 212 . 13 1 1 A 61 61 PHE CB C 76 41.785 32.252 9.533 1 1 213 . 13 1 1 A 61 61 PHE N N 76 120.489 126.369 -5.880 1 1 214 . 13 1 1 A 62 62 ALA H H 77 9.036 8.031 1.005 1 1 215 . 13 1 1 A 62 62 ALA CA C 77 55.215 61.498 -6.283 1 1 216 . 13 1 1 A 62 62 ALA CB C 77 19.141 32.446 -13.305 1 1 217 . 13 1 1 A 62 62 ALA N N 77 119.890 124.940 -5.050 1 1 218 . 13 1 1 A 63 63 GLU H H 78 7.541 8.993 -1.452 1 1 219 . 13 1 1 A 63 63 GLU CA C 78 55.965 52.666 3.299 1 1 220 . 13 1 1 A 63 63 GLU CB C 78 29.630 39.392 -9.762 1 1 221 . 13 1 1 A 63 63 GLU N N 78 111.511 125.591 -14.080 1 1 222 . 13 1 1 A 64 64 SER H H 79 6.861 8.978 -2.117 1 1 223 . 13 1 1 A 64 64 SER CA C 79 57.323 54.176 3.147 1 1 224 . 13 1 1 A 64 64 SER CB C 79 63.306 44.639 18.667 1 1 225 . 13 1 1 A 64 64 SER N N 79 111.856 129.025 -17.169 1 1 226 . 13 1 1 A 65 65 THR H H 80 9.169 8.335 0.834 1 1 227 . 13 1 1 A 65 65 THR CA C 80 65.335 55.270 10.065 1 1 228 . 13 1 1 A 65 65 THR CB C 80 68.216 32.793 35.423 1 1 229 . 13 1 1 A 65 65 THR N N 80 129.658 124.799 4.859 1 1 230 . 13 1 1 A 66 66 GLU H H 81 8.354 9.086 -0.732 1 1 231 . 13 1 1 A 66 66 GLU CA C 81 60.236 56.595 3.641 1 1 232 . 13 1 1 A 66 66 GLU CB C 81 30.136 39.845 -9.709 1 1 233 . 13 1 1 A 66 66 GLU N N 81 123.573 121.510 2.063 1 1 234 . 13 1 1 A 67 67 ILE H H 82 7.922 8.037 -0.115 1 1 235 . 13 1 1 A 67 67 ILE CA C 82 66.084 59.431 6.653 1 1 236 . 13 1 1 A 67 67 ILE CB C 82 37.806 29.654 8.152 1 1 237 . 13 1 1 A 67 67 ILE N N 82 119.503 118.794 0.709 1 1 238 . 13 1 1 A 68 68 SER H H 83 7.214 7.945 -0.731 1 1 239 . 13 1 1 A 68 68 SER CA C 83 63.512 54.962 8.550 1 1 240 . 13 1 1 A 68 68 SER CB C 83 62.330 30.143 32.187 1 1 241 . 13 1 1 A 68 68 SER N N 83 112.464 118.559 -6.095 1 1 242 . 13 1 1 A 69 69 GLU H H 84 8.224 8.793 -0.569 1 1 243 . 13 1 1 A 69 69 GLU CA C 84 59.597 54.892 4.705 1 1 244 . 13 1 1 A 69 69 GLU CB C 84 29.640 30.107 -0.467 1 1 245 . 13 1 1 A 69 69 GLU N N 84 120.267 125.352 -5.085 1 1 247 . 13 1 1 A 70 70 LEU CA C 85 57.423 65.139 -7.716 1 1 248 . 13 1 1 A 70 70 LEU CB C 85 42.942 32.166 10.776 1 1 249 . 13 1 1 A 70 70 LEU N N 85 119.797 140.451 -20.654 1 1 250 . 13 1 1 A 71 71 SER H H 86 8.580 8.336 0.244 1 1 251 . 13 1 1 A 71 71 SER CA C 86 62.310 57.781 4.529 1 1 252 . 13 1 1 A 71 71 SER CB C 86 62.306 31.070 31.236 1 1 253 . 13 1 1 A 71 71 SER N N 86 114.965 118.026 -3.061 1 1 254 . 13 1 1 A 72 72 HIS H H 87 7.189 7.817 -0.628 1 1 255 . 13 1 1 A 72 72 HIS CA C 87 57.593 52.634 4.959 1 1 256 . 13 1 1 A 72 72 HIS CB C 87 28.816 43.368 -14.552 1 1 257 . 13 1 1 A 72 72 HIS N N 87 119.159 118.662 0.497 1 1 258 . 13 1 1 A 73 73 ASN H H 88 8.148 9.028 -0.880 1 1 261 . 13 1 1 A 73 73 ASN CA C 88 52.994 58.876 -5.882 1 1 262 . 13 1 1 A 73 73 ASN CB C 88 38.894 29.180 9.714 1 1 263 . 13 1 1 A 73 73 ASN N N 88 116.602 121.642 -5.040 1 1 265 . 13 1 1 A 74 74 PHE H H 89 7.623 7.863 -0.240 1 1 266 . 13 1 1 A 74 74 PHE CA C 89 56.882 57.062 -0.180 1 1 267 . 13 1 1 A 74 74 PHE CB C 89 44.873 40.377 4.496 1 1 268 . 13 1 1 A 74 74 PHE N N 89 114.645 119.050 -4.405 1 1 269 . 13 1 1 A 75 75 VAL H H 90 8.952 7.043 1.909 1 1 270 . 13 1 1 A 75 75 VAL CA C 90 63.301 57.937 5.364 1 1 271 . 13 1 1 A 75 75 VAL CB C 90 31.213 39.088 -7.875 1 1 272 . 13 1 1 A 75 75 VAL N N 90 120.004 115.887 4.117 1 1 273 . 13 1 1 A 76 76 MET H H 91 7.486 8.746 -1.260 1 1 274 . 13 1 1 A 76 76 MET CA C 91 53.528 56.200 -2.672 1 1 275 . 13 1 1 A 76 76 MET CB C 91 30.717 63.858 -33.141 1 1 276 . 13 1 1 A 76 76 MET N N 91 129.189 116.106 13.083 1 1 278 . 13 1 1 A 77 77 VAL CA C 92 60.953 63.816 -2.863 1 1 279 . 13 1 1 A 77 77 VAL CB C 92 37.090 32.020 5.070 1 1 280 . 13 1 1 A 77 77 VAL N N 92 122.955 135.680 -12.725 1 1 281 . 13 1 1 A 78 78 ASN H H 93 10.248 7.820 2.428 1 1 283 . 13 1 1 A 78 78 ASN CA C 93 52.125 54.736 -2.611 1 1 284 . 13 1 1 A 78 78 ASN CB C 93 41.857 41.447 0.410 1 1 285 . 13 1 1 A 78 78 ASN N N 93 126.507 117.115 9.392 1 1 287 . 13 1 1 A 79 79 LEU H H 94 9.104 7.428 1.676 1 1 288 . 13 1 1 A 79 79 LEU CA C 94 52.410 44.228 8.182 1 1 290 . 13 1 1 A 79 79 LEU N N 94 123.073 107.868 15.205 1 1 291 . 13 1 1 A 80 80 GLU H H 95 9.161 7.795 1.366 1 1 292 . 13 1 1 A 80 80 GLU CA C 95 53.391 45.316 8.075 1 1 294 . 13 1 1 A 80 80 GLU N N 95 125.765 110.340 15.425 1 1 295 . 13 1 1 A 81 81 ASP H H 96 8.107 7.112 0.995 1 1 296 . 13 1 1 A 81 81 ASP CA C 96 57.563 58.161 -0.598 1 1 297 . 13 1 1 A 81 81 ASP CB C 96 38.605 39.895 -1.290 1 1 298 . 13 1 1 A 81 81 ASP N N 96 126.380 118.746 7.634 1 1 299 . 13 1 1 A 82 82 GLU H H 97 8.836 8.789 0.047 1 1 300 . 13 1 1 A 82 82 GLU CA C 97 58.555 57.426 1.129 1 1 301 . 13 1 1 A 82 82 GLU CB C 97 28.422 40.562 -12.140 1 1 302 . 13 1 1 A 82 82 GLU N N 97 123.966 114.105 9.861 1 1 304 . 13 1 1 A 83 83 GLU CA C 98 56.619 62.213 -5.594 1 1 305 . 13 1 1 A 83 83 GLU CB C 98 30.722 32.682 -1.960 1 1 306 . 13 1 1 A 83 83 GLU N N 98 118.069 143.372 -25.303 1 1 307 . 13 1 1 A 84 84 GLU H H 99 7.298 7.672 -0.374 1 1 308 . 13 1 1 A 84 84 GLU CA C 99 54.482 53.686 0.796 1 1 309 . 13 1 1 A 84 84 GLU CB C 99 29.535 33.452 -3.917 1 1 310 . 13 1 1 A 84 84 GLU N N 99 119.571 121.274 -1.703 1 1 311 . 13 1 1 A 85 85 PRO CA C 100 62.512 59.581 2.931 1 1 312 . 13 1 1 A 85 85 PRO CB C 100 32.805 39.646 -6.841 1 1 313 . 13 1 1 A 86 86 LYS H H 101 8.640 8.502 0.138 1 1 314 . 13 1 1 A 86 86 LYS CA C 101 55.615 53.751 1.864 1 1 315 . 13 1 1 A 86 86 LYS CB C 101 31.117 44.061 -12.944 1 1 316 . 13 1 1 A 86 86 LYS N N 101 122.999 121.154 1.845 1 1 317 . 13 1 1 A 87 87 ASP H H 102 7.395 8.327 -0.932 1 1 318 . 13 1 1 A 87 87 ASP CA C 102 54.233 56.514 -2.281 1 1 319 . 13 1 1 A 87 87 ASP CB C 102 42.084 41.711 0.373 1 1 320 . 13 1 1 A 87 87 ASP N N 102 119.006 119.003 0.003 1 1 321 . 13 1 1 A 88 88 GLU H H 103 9.217 8.367 0.850 1 1 322 . 13 1 1 A 88 88 GLU CA C 103 58.996 53.319 5.677 1 1 323 . 13 1 1 A 88 88 GLU CB C 103 29.226 44.887 -15.661 1 1 324 . 13 1 1 A 88 88 GLU N N 103 127.412 117.649 9.763 1 1 325 . 13 1 1 A 89 89 ASP H H 104 9.043 7.995 1.048 1 1 326 . 13 1 1 A 89 89 ASP CA C 104 56.138 52.689 3.449 1 1 327 . 13 1 1 A 89 89 ASP CB C 104 39.487 40.573 -1.086 1 1 328 . 13 1 1 A 89 89 ASP N N 104 121.056 120.041 1.015 1 1 330 . 13 1 1 A 90 90 PHE CA C 105 58.124 62.742 -4.618 1 1 331 . 13 1 1 A 90 90 PHE CB C 105 38.909 30.860 8.049 1 1 332 . 13 1 1 A 90 90 PHE N N 105 111.473 138.427 -26.954 1 1 333 . 13 1 1 A 91 91 SER H H 106 7.907 8.026 -0.119 1 1 334 . 13 1 1 A 91 91 SER CA C 106 55.565 58.340 -2.775 1 1 335 . 13 1 1 A 91 91 SER CB C 106 63.139 65.905 -2.766 1 1 336 . 13 1 1 A 91 91 SER N N 106 115.544 114.431 1.113 1 1 337 . 13 1 1 A 92 92 PRO CA C 107 65.329 45.547 19.782 1 1 339 . 13 1 1 A 93 93 ASP H H 108 9.095 7.169 1.926 1 1 340 . 13 1 1 A 93 93 ASP CA C 108 52.726 55.210 -2.484 1 1 341 . 13 1 1 A 93 93 ASP CB C 108 40.551 32.780 7.771 1 1 342 . 13 1 1 A 93 93 ASP N N 108 115.482 115.750 -0.268 1 1 343 . 13 1 1 A 94 94 GLY H H 109 6.947 7.916 -0.969 1 1 344 . 13 1 1 A 94 94 GLY CA C 109 44.385 63.332 -18.947 1 1 345 . 13 1 1 A 94 94 GLY N N 109 106.691 125.242 -18.551 1 1 346 . 13 1 1 A 95 95 GLY H H 110 8.423 8.195 0.228 1 1 347 . 13 1 1 A 95 95 GLY CA C 110 45.873 53.093 -7.220 1 1 348 . 13 1 1 A 95 95 GLY N N 110 107.178 123.564 -16.386 1 1 350 . 13 1 1 A 96 96 TYR CA C 111 55.619 63.563 -7.944 1 1 351 . 13 1 1 A 96 96 TYR CB C 111 38.312 30.700 7.612 1 1 352 . 13 1 1 A 96 96 TYR N N 111 116.246 137.553 -21.307 1 1 353 . 13 1 1 A 97 97 ILE H H 112 7.878 9.248 -1.370 1 1 354 . 13 1 1 A 97 97 ILE CA C 112 58.650 59.267 -0.617 1 1 355 . 13 1 1 A 97 97 ILE N N 112 113.713 120.151 -6.438 1 1 356 . 13 1 1 A 98 98 PRO CA C 113 62.337 61.108 1.229 1 1 357 . 13 1 1 A 98 98 PRO CB C 113 34.315 37.036 -2.721 1 1 358 . 13 1 1 A 99 99 ARG H H 114 8.514 8.905 -0.391 1 1 359 . 13 1 1 A 99 99 ARG CA C 114 54.460 61.963 -7.503 1 1 360 . 13 1 1 A 99 99 ARG CB C 114 34.399 38.310 -3.911 1 1 361 . 13 1 1 A 99 99 ARG N N 114 117.550 124.567 -7.017 1 1 362 . 13 1 1 A 100 100 ILE H H 115 8.819 8.228 0.591 1 1 363 . 13 1 1 A 100 100 ILE CA C 115 60.937 53.112 7.825 1 1 364 . 13 1 1 A 100 100 ILE CB C 115 39.021 40.794 -1.773 1 1 365 . 13 1 1 A 100 100 ILE N N 115 122.056 119.344 2.712 1 1 366 . 13 1 1 A 101 101 LEU H H 116 8.692 8.401 0.291 1 1 367 . 13 1 1 A 101 101 LEU CA C 116 52.377 59.473 -7.096 1 1 368 . 13 1 1 A 101 101 LEU CB C 116 46.493 27.749 18.744 1 1 369 . 13 1 1 A 101 101 LEU N N 116 127.243 114.807 12.436 1 1 370 . 13 1 1 A 102 102 PHE H H 117 9.004 9.195 -0.191 1 1 371 . 13 1 1 A 102 102 PHE CA C 117 57.076 56.020 1.056 1 1 372 . 13 1 1 A 102 102 PHE CB C 117 42.048 38.846 3.202 1 1 373 . 13 1 1 A 102 102 PHE N N 117 116.784 118.832 -2.048 1 1 374 . 13 1 1 A 103 103 LEU H H 118 9.303 7.917 1.386 1 1 375 . 13 1 1 A 103 103 LEU CA C 118 53.487 44.458 9.029 1 1 377 . 13 1 1 A 103 103 LEU N N 118 124.741 108.217 16.524 1 1 378 . 13 1 1 A 104 104 ASP H H 119 8.351 8.598 -0.247 1 1 379 . 13 1 1 A 104 104 ASP CA C 119 52.555 51.426 1.129 1 1 380 . 13 1 1 A 104 104 ASP CB C 119 39.406 39.263 0.143 1 1 381 . 13 1 1 A 104 104 ASP N N 119 117.539 116.269 1.270 1 1 382 . 13 1 1 A 105 105 PRO CA C 120 65.106 62.801 2.305 1 1 383 . 13 1 1 A 105 105 PRO CB C 120 31.459 29.572 1.887 1 1 384 . 13 1 1 A 106 106 SER H H 121 8.229 8.388 -0.159 1 1 385 . 13 1 1 A 106 106 SER CA C 121 58.891 57.253 1.638 1 1 386 . 13 1 1 A 106 106 SER CB C 121 64.061 64.212 -0.151 1 1 387 . 13 1 1 A 106 106 SER N N 121 111.546 115.641 -4.095 1 1 388 . 13 1 1 A 107 107 GLY H H 122 8.970 7.832 1.138 1 1 389 . 13 1 1 A 107 107 GLY CA C 122 45.417 59.352 -13.935 1 1 390 . 13 1 1 A 107 107 GLY N N 122 111.616 120.497 -8.881 1 1 391 . 13 1 1 A 108 108 LYS H H 123 7.405 7.877 -0.472 1 1 392 . 13 1 1 A 108 108 LYS CA C 123 54.729 58.777 -4.048 1 1 393 . 13 1 1 A 108 108 LYS CB C 123 32.929 31.357 1.572 1 1 394 . 13 1 1 A 108 108 LYS N N 123 120.930 116.973 3.957 1 1 395 . 13 1 1 A 109 109 VAL H H 124 8.875 8.976 -0.101 1 1 396 . 13 1 1 A 109 109 VAL CA C 124 64.103 60.763 3.340 1 1 397 . 13 1 1 A 109 109 VAL CB C 124 32.249 38.348 -6.099 1 1 398 . 13 1 1 A 109 109 VAL N N 124 126.925 119.912 7.013 1 1 399 . 13 1 1 A 110 110 HIS H H 125 8.911 8.248 0.663 1 1 400 . 13 1 1 A 110 110 HIS CA C 125 54.469 56.864 -2.395 1 1 401 . 13 1 1 A 110 110 HIS CB C 125 28.893 40.601 -11.708 1 1 402 . 13 1 1 A 110 110 HIS N N 125 127.112 121.361 5.751 1 1 403 . 13 1 1 A 111 111 PRO CA C 126 63.311 55.164 8.147 1 1 404 . 13 1 1 A 111 111 PRO CB C 126 32.232 41.504 -9.272 1 1 405 . 13 1 1 A 112 112 GLU H H 127 10.959 8.793 2.166 1 1 406 . 13 1 1 A 112 112 GLU CA C 127 57.439 60.578 -3.139 1 1 407 . 13 1 1 A 112 112 GLU CB C 127 27.174 32.184 -5.010 1 1 408 . 13 1 1 A 112 112 GLU N N 127 123.144 122.626 0.518 1 1 409 . 13 1 1 A 113 113 ILE H H 128 7.493 8.329 -0.836 1 1 410 . 13 1 1 A 113 113 ILE CA C 128 61.518 57.772 3.746 1 1 411 . 13 1 1 A 113 113 ILE CB C 128 35.365 66.748 -31.383 1 1 412 . 13 1 1 A 113 113 ILE N N 128 123.479 121.230 2.249 1 1 413 . 13 1 1 A 114 114 ILE H H 129 8.300 8.902 -0.602 1 1 414 . 13 1 1 A 114 114 ILE CA C 129 59.109 54.804 4.305 1 1 415 . 13 1 1 A 114 114 ILE CB C 129 42.309 18.183 24.126 1 1 416 . 13 1 1 A 114 114 ILE N N 129 123.439 126.664 -3.225 1 1 417 . 13 1 1 A 115 115 ASN H H 130 8.622 8.216 0.406 1 1 420 . 13 1 1 A 115 115 ASN CA C 130 51.381 59.033 -7.652 1 1 421 . 13 1 1 A 115 115 ASN CB C 130 35.215 29.370 5.845 1 1 422 . 13 1 1 A 115 115 ASN N N 130 114.712 119.392 -4.680 1 1 424 . 13 1 1 A 116 116 GLU H H 131 8.463 8.051 0.412 1 1 425 . 13 1 1 A 116 116 GLU CA C 131 58.882 58.797 0.085 1 1 426 . 13 1 1 A 116 116 GLU CB C 131 29.606 28.349 1.257 1 1 427 . 13 1 1 A 116 116 GLU N N 131 127.900 117.288 10.612 1 1 428 . 13 1 1 A 117 117 ASN H H 132 7.545 7.441 0.104 1 1 431 . 13 1 1 A 117 117 ASN CA C 132 52.960 65.329 -12.369 1 1 432 . 13 1 1 A 117 117 ASN CB C 132 39.777 31.004 8.773 1 1 433 . 13 1 1 A 117 117 ASN N N 132 113.958 116.243 -2.285 1 1 435 . 13 1 1 A 118 118 GLY H H 133 7.109 7.235 -0.126 1 1 436 . 13 1 1 A 118 118 GLY CA C 133 44.662 64.811 -20.149 1 1 437 . 13 1 1 A 118 118 GLY N N 133 107.288 122.084 -14.796 1 1 438 . 13 1 1 A 119 119 ASN H H 134 8.795 8.332 0.463 1 1 441 . 13 1 1 A 119 119 ASN CA C 134 50.277 58.170 -7.893 1 1 442 . 13 1 1 A 119 119 ASN CB C 134 40.102 28.143 11.959 1 1 443 . 13 1 1 A 119 119 ASN N N 134 122.889 119.390 3.499 1 1 445 . 13 1 1 A 120 120 PRO CA C 135 64.320 46.801 17.519 1 1 447 . 13 1 1 A 121 121 SER H H 136 8.260 7.741 0.519 1 1 448 . 13 1 1 A 121 121 SER CA C 136 60.199 57.902 2.297 1 1 449 . 13 1 1 A 121 121 SER CB C 136 63.228 32.463 30.765 1 1 450 . 13 1 1 A 121 121 SER N N 136 113.554 120.551 -6.997 1 1 451 . 13 1 1 A 122 122 TYR H H 137 7.580 8.159 -0.579 1 1 452 . 13 1 1 A 122 122 TYR CA C 137 54.584 58.791 -4.207 1 1 453 . 13 1 1 A 122 122 TYR CB C 137 38.872 32.420 6.452 1 1 454 . 13 1 1 A 122 122 TYR N N 137 119.864 119.341 0.523 1 1 455 . 13 1 1 A 123 123 LYS H H 138 9.556 7.876 1.680 1 1 456 . 13 1 1 A 123 123 LYS CA C 138 60.415 58.048 2.367 1 1 457 . 13 1 1 A 123 123 LYS CB C 138 31.945 30.681 1.264 1 1 458 . 13 1 1 A 123 123 LYS N N 138 123.955 117.544 6.411 1 1 459 . 13 1 1 A 124 124 TYR H H 139 8.486 8.235 0.251 1 1 460 . 13 1 1 A 124 124 TYR CA C 139 56.009 54.942 1.067 1 1 461 . 13 1 1 A 124 124 TYR CB C 139 37.666 18.409 19.257 1 1 462 . 13 1 1 A 124 124 TYR N N 139 113.738 122.540 -8.802 1 1 463 . 13 1 1 A 125 125 PHE H H 140 7.562 8.816 -1.254 1 1 464 . 13 1 1 A 125 125 PHE CA C 140 56.561 57.402 -0.841 1 1 465 . 13 1 1 A 125 125 PHE CB C 140 40.897 27.529 13.368 1 1 466 . 13 1 1 A 125 125 PHE N N 140 122.592 115.344 7.248 1 1 467 . 13 1 1 A 126 126 TYR H H 141 8.133 8.421 -0.288 1 1 468 . 13 1 1 A 126 126 TYR CA C 141 57.326 56.847 0.479 1 1 469 . 13 1 1 A 126 126 TYR CB C 141 41.768 31.532 10.236 1 1 470 . 13 1 1 A 126 126 TYR N N 141 129.225 117.106 12.119 1 1 471 . 13 1 1 A 127 127 VAL H H 142 8.081 8.019 0.062 1 1 472 . 13 1 1 A 127 127 VAL CA C 142 61.414 57.980 3.434 1 1 473 . 13 1 1 A 127 127 VAL CB C 142 34.245 29.975 4.270 1 1 474 . 13 1 1 A 127 127 VAL N N 142 112.892 119.907 -7.015 1 1 475 . 13 1 1 A 128 128 SER H H 143 7.362 7.792 -0.430 1 1 476 . 13 1 1 A 128 128 SER CA C 143 55.028 55.464 -0.436 1 1 477 . 13 1 1 A 128 128 SER CB C 143 67.261 44.289 22.972 1 1 478 . 13 1 1 A 128 128 SER N N 143 112.848 120.753 -7.905 1 1 479 . 13 1 1 A 129 129 ALA H H 144 9.331 8.191 1.140 1 1 480 . 13 1 1 A 129 129 ALA CA C 144 55.568 63.810 -8.242 1 1 481 . 13 1 1 A 129 129 ALA CB C 144 18.005 69.055 -51.050 1 1 482 . 13 1 1 A 129 129 ALA N N 144 124.250 111.668 12.582 1 1 483 . 13 1 1 A 130 130 GLU H H 145 9.152 7.812 1.340 1 1 484 . 13 1 1 A 130 130 GLU CA C 145 60.626 45.642 14.984 1 1 486 . 13 1 1 A 130 130 GLU N N 145 116.980 108.905 8.075 1 1 487 . 13 1 1 A 131 131 GLN H H 146 7.621 8.193 -0.572 1 1 490 . 13 1 1 A 131 131 GLN CA C 146 58.552 55.401 3.151 1 1 491 . 13 1 1 A 131 131 GLN CB C 146 29.038 39.250 -10.212 1 1 492 . 13 1 1 A 131 131 GLN N N 146 117.565 113.935 3.630 1 1 494 . 13 1 1 A 132 132 VAL H H 147 7.780 8.177 -0.397 1 1 495 . 13 1 1 A 132 132 VAL CA C 147 66.928 51.763 15.165 1 1 496 . 13 1 1 A 132 132 VAL CB C 147 31.324 18.952 12.372 1 1 497 . 13 1 1 A 132 132 VAL N N 147 121.486 119.695 1.791 1 1 498 . 13 1 1 A 133 133 VAL H H 148 8.609 7.572 1.037 1 1 499 . 13 1 1 A 133 133 VAL CA C 148 67.053 57.465 9.588 1 1 500 . 13 1 1 A 133 133 VAL CB C 148 31.927 40.160 -8.233 1 1 501 . 13 1 1 A 133 133 VAL N N 148 119.560 114.109 5.451 1 1 502 . 13 1 1 A 134 134 GLN H H 149 7.365 6.465 0.900 1 1 505 . 13 1 1 A 134 134 GLN CA C 149 59.382 58.636 0.746 1 1 506 . 13 1 1 A 134 134 GLN CB C 149 27.860 29.824 -1.964 1 1 507 . 13 1 1 A 134 134 GLN N N 149 117.080 120.052 -2.972 1 1 509 . 13 1 1 A 135 135 GLY H H 150 8.085 7.728 0.357 1 1 510 . 13 1 1 A 135 135 GLY CA C 150 47.499 57.318 -9.819 1 1 511 . 13 1 1 A 135 135 GLY N N 150 107.849 118.864 -11.015 1 1 512 . 13 1 1 A 136 136 MET H H 151 8.593 8.619 -0.026 1 1 513 . 13 1 1 A 136 136 MET CA C 151 59.730 57.662 2.068 1 1 514 . 13 1 1 A 136 136 MET CB C 151 35.435 31.499 3.936 1 1 515 . 13 1 1 A 136 136 MET N N 151 119.390 119.055 0.335 1 1 516 . 13 1 1 A 137 137 LYS H H 152 8.591 8.358 0.233 1 1 517 . 13 1 1 A 137 137 LYS CA C 152 60.659 54.785 5.874 1 1 518 . 13 1 1 A 137 137 LYS CB C 152 32.617 29.160 3.457 1 1 519 . 13 1 1 A 137 137 LYS N N 152 119.226 119.732 -0.506 1 1 520 . 13 1 1 A 138 138 GLU H H 153 7.870 8.432 -0.562 1 1 521 . 13 1 1 A 138 138 GLU CA C 153 59.134 52.985 6.149 1 1 522 . 13 1 1 A 138 138 GLU CB C 153 28.879 45.536 -16.657 1 1 523 . 13 1 1 A 138 138 GLU N N 153 120.709 124.824 -4.115 1 1 524 . 13 1 1 A 139 139 ALA H H 154 8.493 8.763 -0.270 1 1 525 . 13 1 1 A 139 139 ALA CA C 154 55.450 57.633 -2.183 1 1 526 . 13 1 1 A 139 139 ALA CB C 154 18.695 28.576 -9.881 1 1 527 . 13 1 1 A 139 139 ALA N N 154 120.598 118.303 2.295 1 1 528 . 13 1 1 A 140 140 GLN H H 155 8.582 8.654 -0.072 1 1 531 . 13 1 1 A 140 140 GLN CA C 155 59.239 53.027 6.212 1 1 532 . 13 1 1 A 140 140 GLN CB C 155 28.027 40.812 -12.785 1 1 533 . 13 1 1 A 140 140 GLN N N 155 116.438 126.021 -9.583 1 1 535 . 13 1 1 A 141 141 GLU H H 156 7.563 8.975 -1.412 1 1 536 . 13 1 1 A 141 141 GLU CA C 156 58.896 57.839 1.057 1 1 537 . 13 1 1 A 141 141 GLU CB C 156 29.885 32.583 -2.698 1 1 538 . 13 1 1 A 141 141 GLU N N 156 118.759 125.113 -6.354 1 1 1 . 14 1 1 A 7 7 HIS CA C 22 56.307 55.464 0.843 1 1 2 . 14 1 1 A 7 7 HIS CB C 22 30.341 28.747 1.594 1 1 3 . 14 1 1 A 8 8 MET H H 23 8.449 7.639 0.810 1 1 4 . 14 1 1 A 8 8 MET CA C 23 55.742 60.173 -4.431 1 1 5 . 14 1 1 A 8 8 MET CB C 23 32.842 38.426 -5.584 1 1 6 . 14 1 1 A 8 8 MET N N 23 122.176 123.809 -1.633 1 1 7 . 14 1 1 A 9 9 SER H H 24 8.428 6.314 2.114 1 1 8 . 14 1 1 A 9 9 SER CA C 24 58.412 55.757 2.655 1 1 9 . 14 1 1 A 9 9 SER CB C 24 63.900 29.185 34.715 1 1 10 . 14 1 1 A 9 9 SER N N 24 116.789 120.429 -3.640 1 1 11 . 14 1 1 A 10 10 ASP H H 25 8.382 6.929 1.453 1 1 12 . 14 1 1 A 10 10 ASP CA C 25 54.487 56.666 -2.179 1 1 13 . 14 1 1 A 10 10 ASP CB C 25 41.285 31.505 9.780 1 1 14 . 14 1 1 A 10 10 ASP N N 25 122.384 117.691 4.693 1 1 15 . 14 1 1 A 11 11 GLY H H 26 8.363 7.755 0.608 1 1 16 . 14 1 1 A 11 11 GLY CA C 26 45.546 58.780 -13.234 1 1 17 . 14 1 1 A 11 11 GLY N N 26 108.671 121.098 -12.427 1 1 18 . 14 1 1 A 12 12 HIS H H 27 8.350 7.191 1.159 1 1 19 . 14 1 1 A 12 12 HIS CA C 27 56.103 61.066 -4.963 1 1 20 . 14 1 1 A 12 12 HIS CB C 27 29.813 70.729 -40.916 1 1 21 . 14 1 1 A 12 12 HIS N N 27 118.814 107.058 11.756 1 1 22 . 14 1 1 A 13 13 ASN H H 28 8.505 8.813 -0.308 1 1 25 . 14 1 1 A 13 13 ASN CA C 28 53.482 58.285 -4.803 1 1 26 . 14 1 1 A 13 13 ASN CB C 28 39.386 42.185 -2.799 1 1 27 . 14 1 1 A 13 13 ASN N N 28 119.523 123.829 -4.306 1 1 29 . 14 1 1 A 14 14 GLY H H 29 8.743 8.330 0.413 1 1 30 . 14 1 1 A 14 14 GLY CA C 29 45.534 59.799 -14.265 1 1 31 . 14 1 1 A 14 14 GLY N N 29 110.136 118.877 -8.741 1 1 32 . 14 1 1 A 15 15 LEU H H 30 8.466 8.332 0.134 1 1 33 . 14 1 1 A 15 15 LEU CA C 30 56.146 57.272 -1.126 1 1 34 . 14 1 1 A 15 15 LEU CB C 30 42.864 40.179 2.685 1 1 35 . 14 1 1 A 15 15 LEU N N 30 120.511 120.073 0.438 1 1 36 . 14 1 1 A 16 16 GLY H H 31 8.886 8.344 0.542 1 1 37 . 14 1 1 A 16 16 GLY CA C 31 47.064 47.164 -0.100 1 1 38 . 14 1 1 A 16 16 GLY N N 31 108.073 108.488 -0.415 1 1 39 . 14 1 1 A 17 17 LYS H H 32 7.854 7.942 -0.088 1 1 40 . 14 1 1 A 17 17 LYS CA C 32 55.661 58.805 -3.144 1 1 41 . 14 1 1 A 17 17 LYS CB C 32 29.379 32.182 -2.803 1 1 42 . 14 1 1 A 17 17 LYS N N 32 110.952 121.610 -10.658 1 1 43 . 14 1 1 A 18 18 GLY H H 33 8.095 7.860 0.235 1 1 44 . 14 1 1 A 18 18 GLY CA C 33 44.893 59.160 -14.267 1 1 45 . 14 1 1 A 18 18 GLY N N 33 103.957 118.148 -14.191 1 1 46 . 14 1 1 A 19 19 PHE H H 34 7.887 7.994 -0.107 1 1 47 . 14 1 1 A 19 19 PHE CA C 34 61.146 59.052 2.094 1 1 48 . 14 1 1 A 19 19 PHE CB C 34 38.963 29.510 9.453 1 1 49 . 14 1 1 A 19 19 PHE N N 34 117.883 119.886 -2.003 1 1 50 . 14 1 1 A 20 20 GLY H H 35 7.696 8.175 -0.479 1 1 51 . 14 1 1 A 20 20 GLY CA C 35 45.189 54.842 -9.653 1 1 52 . 14 1 1 A 20 20 GLY N N 35 102.668 121.712 -19.044 1 1 53 . 14 1 1 A 21 21 ASP H H 36 9.284 7.477 1.807 1 1 54 . 14 1 1 A 21 21 ASP CA C 36 56.026 54.976 1.050 1 1 55 . 14 1 1 A 21 21 ASP CB C 36 40.543 18.490 22.053 1 1 56 . 14 1 1 A 21 21 ASP N N 36 129.289 120.410 8.879 1 1 57 . 14 1 1 A 22 22 HIS H H 37 9.058 8.415 0.643 1 1 58 . 14 1 1 A 22 22 HIS CA C 37 56.628 55.348 1.280 1 1 59 . 14 1 1 A 22 22 HIS CB C 37 29.941 18.735 11.206 1 1 60 . 14 1 1 A 22 22 HIS N N 37 116.742 120.875 -4.133 1 1 61 . 14 1 1 A 23 23 ILE H H 38 6.449 7.981 -1.532 1 1 62 . 14 1 1 A 23 23 ILE CA C 38 59.183 59.830 -0.647 1 1 63 . 14 1 1 A 23 23 ILE CB C 38 39.408 63.557 -24.149 1 1 64 . 14 1 1 A 23 23 ILE N N 38 124.704 111.729 12.975 1 1 65 . 14 1 1 A 24 24 HIS H H 39 7.857 8.429 -0.572 1 1 66 . 14 1 1 A 24 24 HIS CA C 39 52.931 46.536 6.395 1 1 68 . 14 1 1 A 24 24 HIS N N 39 124.600 108.327 16.273 1 1 69 . 14 1 1 A 25 25 TRP H H 40 8.032 7.187 0.845 1 1 71 . 14 1 1 A 25 25 TRP CA C 40 57.058 51.031 6.027 1 1 72 . 14 1 1 A 25 25 TRP CB C 40 30.411 44.244 -13.833 1 1 73 . 14 1 1 A 25 25 TRP N N 40 130.002 114.119 15.883 1 1 76 . 14 1 1 A 26 26 ARG CA C 41 54.500 62.415 -7.915 1 1 77 . 14 1 1 A 26 26 ARG CB C 41 35.055 32.544 2.511 1 1 78 . 14 1 1 A 26 26 ARG N N 41 122.005 135.387 -13.382 1 1 79 . 14 1 1 A 27 27 THR H H 42 8.562 8.112 0.450 1 1 80 . 14 1 1 A 27 27 THR CA C 42 61.294 52.722 8.572 1 1 81 . 14 1 1 A 27 27 THR CB C 42 70.325 44.742 25.583 1 1 82 . 14 1 1 A 27 27 THR N N 42 111.261 117.341 -6.080 1 1 83 . 14 1 1 A 28 28 LEU H H 43 8.994 8.777 0.217 1 1 84 . 14 1 1 A 28 28 LEU CA C 43 59.121 53.502 5.619 1 1 85 . 14 1 1 A 28 28 LEU CB C 43 41.515 32.414 9.101 1 1 86 . 14 1 1 A 28 28 LEU N N 43 121.976 120.700 1.276 1 1 87 . 14 1 1 A 29 29 GLU H H 44 8.759 8.324 0.435 1 1 88 . 14 1 1 A 29 29 GLU CA C 44 59.928 62.124 -2.196 1 1 89 . 14 1 1 A 29 29 GLU CB C 44 29.342 29.680 -0.338 1 1 90 . 14 1 1 A 29 29 GLU N N 44 116.492 126.118 -9.626 1 1 91 . 14 1 1 A 30 30 ASP H H 45 7.692 8.571 -0.879 1 1 92 . 14 1 1 A 30 30 ASP CA C 45 57.131 60.633 -3.502 1 1 93 . 14 1 1 A 30 30 ASP CB C 45 40.093 39.094 0.999 1 1 94 . 14 1 1 A 30 30 ASP N N 45 119.105 126.841 -7.736 1 1 95 . 14 1 1 A 31 31 GLY H H 46 9.224 8.535 0.689 1 1 96 . 14 1 1 A 31 31 GLY CA C 46 47.426 59.625 -12.199 1 1 97 . 14 1 1 A 31 31 GLY N N 46 111.508 131.164 -19.656 1 1 98 . 14 1 1 A 32 32 LYS H H 47 8.691 8.633 0.058 1 1 99 . 14 1 1 A 32 32 LYS CA C 47 60.968 54.047 6.921 1 1 100 . 14 1 1 A 32 32 LYS CB C 47 32.534 30.233 2.301 1 1 101 . 14 1 1 A 32 32 LYS N N 47 121.519 123.567 -2.048 1 1 102 . 14 1 1 A 33 33 LYS H H 48 7.234 8.487 -1.253 1 1 103 . 14 1 1 A 33 33 LYS CA C 48 59.734 56.322 3.412 1 1 104 . 14 1 1 A 33 33 LYS CB C 48 32.349 33.145 -0.796 1 1 105 . 14 1 1 A 33 33 LYS N N 48 119.937 124.156 -4.219 1 1 106 . 14 1 1 A 34 34 GLU H H 49 8.179 8.630 -0.451 1 1 107 . 14 1 1 A 34 34 GLU CA C 49 58.911 58.475 0.436 1 1 108 . 14 1 1 A 34 34 GLU CB C 49 29.393 63.120 -33.727 1 1 109 . 14 1 1 A 34 34 GLU N N 49 121.748 116.929 4.819 1 1 110 . 14 1 1 A 35 35 ALA H H 50 9.142 8.587 0.555 1 1 111 . 14 1 1 A 35 35 ALA CA C 50 56.068 57.645 -1.577 1 1 112 . 14 1 1 A 35 35 ALA CB C 50 19.504 29.546 -10.042 1 1 113 . 14 1 1 A 35 35 ALA N N 50 125.093 121.062 4.031 1 1 114 . 14 1 1 A 36 36 ALA H H 51 7.548 8.814 -1.266 1 1 115 . 14 1 1 A 36 36 ALA CA C 51 54.765 57.501 -2.736 1 1 116 . 14 1 1 A 36 36 ALA CB C 51 18.095 30.642 -12.547 1 1 117 . 14 1 1 A 36 36 ALA N N 51 118.057 120.878 -2.821 1 1 118 . 14 1 1 A 37 37 ALA H H 52 7.517 8.705 -1.188 1 1 119 . 14 1 1 A 37 37 ALA CA C 52 54.200 46.027 8.173 1 1 121 . 14 1 1 A 37 37 ALA N N 52 118.541 114.711 3.830 1 1 122 . 14 1 1 A 38 38 SER H H 53 8.330 7.901 0.429 1 1 123 . 14 1 1 A 38 38 SER CA C 53 59.095 54.063 5.032 1 1 124 . 14 1 1 A 38 38 SER CB C 53 65.540 17.976 47.564 1 1 125 . 14 1 1 A 38 38 SER N N 53 110.905 124.184 -13.279 1 1 126 . 14 1 1 A 39 39 GLY H H 54 8.454 7.263 1.191 1 1 127 . 14 1 1 A 39 39 GLY CA C 54 46.559 60.456 -13.897 1 1 128 . 14 1 1 A 39 39 GLY N N 54 112.427 115.550 -3.123 1 1 129 . 14 1 1 A 40 40 LEU H H 55 7.580 7.852 -0.272 1 1 130 . 14 1 1 A 40 40 LEU CA C 55 51.891 58.989 -7.098 1 1 131 . 14 1 1 A 40 40 LEU CB C 55 43.061 32.051 11.010 1 1 132 . 14 1 1 A 40 40 LEU N N 55 121.312 118.540 2.772 1 1 133 . 14 1 1 A 41 41 PRO CA C 56 61.426 55.010 6.416 1 1 134 . 14 1 1 A 41 41 PRO CB C 56 32.878 18.447 14.431 1 1 135 . 14 1 1 A 42 42 LEU H H 57 8.447 7.996 0.451 1 1 136 . 14 1 1 A 42 42 LEU CA C 57 55.025 57.706 -2.681 1 1 137 . 14 1 1 A 42 42 LEU CB C 57 44.360 40.424 3.936 1 1 138 . 14 1 1 A 42 42 LEU N N 57 116.186 119.075 -2.889 1 1 139 . 14 1 1 A 43 43 MET H H 58 8.610 8.086 0.524 1 1 140 . 14 1 1 A 43 43 MET CA C 58 54.951 61.257 -6.306 1 1 141 . 14 1 1 A 43 43 MET CB C 58 34.319 31.143 3.176 1 1 142 . 14 1 1 A 43 43 MET N N 58 124.827 118.796 6.031 1 1 144 . 14 1 1 A 44 44 VAL CA C 59 60.237 65.284 -5.047 1 1 145 . 14 1 1 A 44 44 VAL CB C 59 34.052 31.148 2.904 1 1 146 . 14 1 1 A 44 44 VAL N N 59 125.176 132.355 -7.179 1 1 147 . 14 1 1 A 45 45 ILE H H 60 8.512 8.516 -0.004 1 1 148 . 14 1 1 A 45 45 ILE CA C 60 60.138 58.936 1.202 1 1 149 . 14 1 1 A 45 45 ILE CB C 60 40.622 32.765 7.857 1 1 150 . 14 1 1 A 45 45 ILE N N 60 125.614 116.121 9.493 1 1 151 . 14 1 1 A 46 46 ILE H H 61 9.528 8.771 0.757 1 1 152 . 14 1 1 A 46 46 ILE CA C 61 61.356 61.157 0.199 1 1 153 . 14 1 1 A 46 46 ILE CB C 61 39.017 39.428 -0.411 1 1 154 . 14 1 1 A 46 46 ILE N N 61 130.237 120.986 9.251 1 1 155 . 14 1 1 A 47 47 HIS H H 62 8.926 8.045 0.881 1 1 156 . 14 1 1 A 47 47 HIS CA C 62 54.153 54.901 -0.748 1 1 157 . 14 1 1 A 47 47 HIS CB C 62 35.638 18.340 17.298 1 1 158 . 14 1 1 A 47 47 HIS N N 62 121.634 120.998 0.636 1 1 159 . 14 1 1 A 48 48 LYS H H 63 7.798 8.424 -0.626 1 1 160 . 14 1 1 A 48 48 LYS CA C 63 52.412 58.622 -6.210 1 1 161 . 14 1 1 A 48 48 LYS CB C 63 33.666 29.611 4.055 1 1 162 . 14 1 1 A 48 48 LYS N N 63 116.188 119.469 -3.281 1 1 163 . 14 1 1 A 49 49 SER H H 64 10.807 8.852 1.955 1 1 164 . 14 1 1 A 49 49 SER CA C 64 60.779 60.181 0.598 1 1 165 . 14 1 1 A 49 49 SER CB C 64 62.612 62.124 0.488 1 1 166 . 14 1 1 A 49 49 SER N N 64 121.963 115.698 6.265 1 1 167 . 14 1 1 A 50 50 TRP H H 65 6.564 7.886 -1.322 1 1 169 . 14 1 1 A 50 50 TRP CA C 65 54.246 65.946 -11.700 1 1 170 . 14 1 1 A 50 50 TRP CB C 65 29.500 68.293 -38.793 1 1 171 . 14 1 1 A 50 50 TRP N N 65 115.717 114.448 1.269 1 1 173 . 14 1 1 A 51 51 CYS H H 66 6.689 7.934 -1.245 1 1 174 . 14 1 1 A 51 51 CYS CA C 66 60.195 59.105 1.090 1 1 175 . 14 1 1 A 51 51 CYS CB C 66 30.909 29.114 1.795 1 1 176 . 14 1 1 A 51 51 CYS N N 66 125.894 120.073 5.821 1 1 177 . 14 1 1 A 52 52 GLY H H 67 9.301 7.906 1.395 1 1 178 . 14 1 1 A 52 52 GLY CA C 67 47.510 63.511 -16.001 1 1 179 . 14 1 1 A 52 52 GLY N N 67 119.542 121.740 -2.198 1 1 180 . 14 1 1 A 53 53 ALA H H 68 9.861 8.470 1.391 1 1 181 . 14 1 1 A 53 53 ALA CA C 68 55.404 61.244 -5.840 1 1 182 . 14 1 1 A 53 53 ALA CB C 68 18.521 62.874 -44.353 1 1 183 . 14 1 1 A 53 53 ALA N N 68 133.080 117.853 15.227 1 1 184 . 14 1 1 A 54 54 CYS H H 69 9.891 7.447 2.444 1 1 185 . 14 1 1 A 54 54 CYS CA C 69 64.497 58.895 5.602 1 1 186 . 14 1 1 A 54 54 CYS CB C 69 29.057 29.967 -0.910 1 1 187 . 14 1 1 A 54 54 CYS N N 69 127.404 122.471 4.933 1 1 188 . 14 1 1 A 55 55 LYS H H 70 8.059 8.027 0.032 1 1 189 . 14 1 1 A 55 55 LYS CA C 70 59.840 57.237 2.603 1 1 190 . 14 1 1 A 55 55 LYS CB C 70 32.942 41.226 -8.284 1 1 191 . 14 1 1 A 55 55 LYS N N 70 118.141 120.681 -2.540 1 1 192 . 14 1 1 A 56 56 ALA H H 71 7.517 7.936 -0.419 1 1 193 . 14 1 1 A 56 56 ALA CA C 71 53.989 60.881 -6.892 1 1 194 . 14 1 1 A 56 56 ALA CB C 71 18.501 63.260 -44.759 1 1 195 . 14 1 1 A 56 56 ALA N N 71 118.540 115.255 3.285 1 1 196 . 14 1 1 A 57 57 LEU H H 72 7.351 7.798 -0.447 1 1 197 . 14 1 1 A 57 57 LEU CA C 72 56.998 58.500 -1.502 1 1 198 . 14 1 1 A 57 57 LEU CB C 72 42.256 29.138 13.118 1 1 199 . 14 1 1 A 57 57 LEU N N 72 117.293 118.741 -1.448 1 1 200 . 14 1 1 A 58 58 LYS H H 73 7.101 7.268 -0.167 1 1 201 . 14 1 1 A 58 58 LYS CA C 73 62.302 53.729 8.573 1 1 202 . 14 1 1 A 58 58 LYS CB C 73 30.098 38.789 -8.691 1 1 203 . 14 1 1 A 58 58 LYS N N 73 115.956 115.418 0.538 1 1 204 . 14 1 1 A 59 59 PRO CA C 74 65.581 56.459 9.122 1 1 205 . 14 1 1 A 59 59 PRO CB C 74 30.726 41.045 -10.319 1 1 206 . 14 1 1 A 60 60 LYS H H 75 6.694 8.979 -2.285 1 1 207 . 14 1 1 A 60 60 LYS CA C 75 58.353 60.379 -2.026 1 1 208 . 14 1 1 A 60 60 LYS CB C 75 32.606 35.318 -2.712 1 1 209 . 14 1 1 A 60 60 LYS N N 75 115.897 119.671 -3.774 1 1 210 . 14 1 1 A 61 61 PHE H H 76 8.285 8.827 -0.542 1 1 211 . 14 1 1 A 61 61 PHE CA C 76 60.241 56.393 3.848 1 1 212 . 14 1 1 A 61 61 PHE CB C 76 41.785 32.600 9.185 1 1 213 . 14 1 1 A 61 61 PHE N N 76 120.489 126.535 -6.046 1 1 214 . 14 1 1 A 62 62 ALA H H 77 9.036 8.832 0.204 1 1 215 . 14 1 1 A 62 62 ALA CA C 77 55.215 61.627 -6.412 1 1 216 . 14 1 1 A 62 62 ALA CB C 77 19.141 32.496 -13.355 1 1 217 . 14 1 1 A 62 62 ALA N N 77 119.890 125.225 -5.335 1 1 218 . 14 1 1 A 63 63 GLU H H 78 7.541 9.142 -1.601 1 1 219 . 14 1 1 A 63 63 GLU CA C 78 55.965 52.120 3.845 1 1 220 . 14 1 1 A 63 63 GLU CB C 78 29.630 40.581 -10.951 1 1 221 . 14 1 1 A 63 63 GLU N N 78 111.511 125.814 -14.303 1 1 222 . 14 1 1 A 64 64 SER H H 79 6.861 8.859 -1.998 1 1 223 . 14 1 1 A 64 64 SER CA C 79 57.323 52.620 4.703 1 1 224 . 14 1 1 A 64 64 SER CB C 79 63.306 44.865 18.441 1 1 225 . 14 1 1 A 64 64 SER N N 79 111.856 122.080 -10.224 1 1 226 . 14 1 1 A 65 65 THR H H 80 9.169 8.726 0.443 1 1 227 . 14 1 1 A 65 65 THR CA C 80 65.335 55.816 9.519 1 1 228 . 14 1 1 A 65 65 THR CB C 80 68.216 29.646 38.570 1 1 229 . 14 1 1 A 65 65 THR N N 80 129.658 117.858 11.800 1 1 230 . 14 1 1 A 66 66 GLU H H 81 8.354 8.629 -0.275 1 1 231 . 14 1 1 A 66 66 GLU CA C 81 60.236 53.726 6.510 1 1 232 . 14 1 1 A 66 66 GLU CB C 81 30.136 41.193 -11.057 1 1 233 . 14 1 1 A 66 66 GLU N N 81 123.573 120.580 2.993 1 1 234 . 14 1 1 A 67 67 ILE H H 82 7.922 8.530 -0.608 1 1 235 . 14 1 1 A 67 67 ILE CA C 82 66.084 56.967 9.117 1 1 236 . 14 1 1 A 67 67 ILE CB C 82 37.806 31.464 6.342 1 1 237 . 14 1 1 A 67 67 ILE N N 82 119.503 119.910 -0.407 1 1 238 . 14 1 1 A 68 68 SER H H 83 7.214 7.540 -0.326 1 1 239 . 14 1 1 A 68 68 SER CA C 83 63.512 59.227 4.285 1 1 240 . 14 1 1 A 68 68 SER CB C 83 62.330 29.787 32.543 1 1 241 . 14 1 1 A 68 68 SER N N 83 112.464 120.472 -8.008 1 1 242 . 14 1 1 A 69 69 GLU H H 84 8.224 8.040 0.184 1 1 243 . 14 1 1 A 69 69 GLU CA C 84 59.597 57.052 2.545 1 1 244 . 14 1 1 A 69 69 GLU CB C 84 29.640 28.157 1.483 1 1 245 . 14 1 1 A 69 69 GLU N N 84 120.267 119.658 0.609 1 1 247 . 14 1 1 A 70 70 LEU CA C 85 57.423 62.774 -5.351 1 1 248 . 14 1 1 A 70 70 LEU CB C 85 42.942 32.084 10.858 1 1 249 . 14 1 1 A 70 70 LEU N N 85 119.797 138.402 -18.605 1 1 250 . 14 1 1 A 71 71 SER H H 86 8.580 8.298 0.282 1 1 251 . 14 1 1 A 71 71 SER CA C 86 62.310 56.270 6.040 1 1 252 . 14 1 1 A 71 71 SER CB C 86 62.306 31.747 30.559 1 1 253 . 14 1 1 A 71 71 SER N N 86 114.965 119.358 -4.393 1 1 254 . 14 1 1 A 72 72 HIS H H 87 7.189 7.837 -0.648 1 1 255 . 14 1 1 A 72 72 HIS CA C 87 57.593 53.009 4.584 1 1 256 . 14 1 1 A 72 72 HIS CB C 87 28.816 44.343 -15.527 1 1 257 . 14 1 1 A 72 72 HIS N N 87 119.159 118.527 0.632 1 1 258 . 14 1 1 A 73 73 ASN H H 88 8.148 8.929 -0.781 1 1 261 . 14 1 1 A 73 73 ASN CA C 88 52.994 58.774 -5.780 1 1 262 . 14 1 1 A 73 73 ASN CB C 88 38.894 29.072 9.822 1 1 263 . 14 1 1 A 73 73 ASN N N 88 116.602 120.582 -3.980 1 1 265 . 14 1 1 A 74 74 PHE H H 89 7.623 8.145 -0.522 1 1 266 . 14 1 1 A 74 74 PHE CA C 89 56.882 56.773 0.109 1 1 267 . 14 1 1 A 74 74 PHE CB C 89 44.873 40.872 4.001 1 1 268 . 14 1 1 A 74 74 PHE N N 89 114.645 119.315 -4.670 1 1 269 . 14 1 1 A 75 75 VAL H H 90 8.952 7.618 1.334 1 1 270 . 14 1 1 A 75 75 VAL CA C 90 63.301 56.852 6.449 1 1 271 . 14 1 1 A 75 75 VAL CB C 90 31.213 40.215 -9.002 1 1 272 . 14 1 1 A 75 75 VAL N N 90 120.004 112.842 7.162 1 1 273 . 14 1 1 A 76 76 MET H H 91 7.486 7.295 0.191 1 1 274 . 14 1 1 A 76 76 MET CA C 91 53.528 55.232 -1.704 1 1 275 . 14 1 1 A 76 76 MET CB C 91 30.717 63.055 -32.338 1 1 276 . 14 1 1 A 76 76 MET N N 91 129.189 114.773 14.416 1 1 278 . 14 1 1 A 77 77 VAL CA C 92 60.953 65.928 -4.975 1 1 279 . 14 1 1 A 77 77 VAL CB C 92 37.090 31.023 6.067 1 1 280 . 14 1 1 A 77 77 VAL N N 92 122.955 139.539 -16.584 1 1 281 . 14 1 1 A 78 78 ASN H H 93 10.248 7.821 2.427 1 1 283 . 14 1 1 A 78 78 ASN CA C 93 52.125 56.306 -4.181 1 1 284 . 14 1 1 A 78 78 ASN CB C 93 41.857 41.343 0.514 1 1 285 . 14 1 1 A 78 78 ASN N N 93 126.507 117.107 9.400 1 1 287 . 14 1 1 A 79 79 LEU H H 94 9.104 7.681 1.423 1 1 288 . 14 1 1 A 79 79 LEU CA C 94 52.410 45.181 7.229 1 1 290 . 14 1 1 A 79 79 LEU N N 94 123.073 106.089 16.984 1 1 291 . 14 1 1 A 80 80 GLU H H 95 9.161 8.573 0.588 1 1 292 . 14 1 1 A 80 80 GLU CA C 95 53.391 45.217 8.174 1 1 294 . 14 1 1 A 80 80 GLU N N 95 125.765 111.846 13.919 1 1 295 . 14 1 1 A 81 81 ASP H H 96 8.107 7.324 0.783 1 1 296 . 14 1 1 A 81 81 ASP CA C 96 57.563 58.109 -0.546 1 1 297 . 14 1 1 A 81 81 ASP CB C 96 38.605 39.755 -1.150 1 1 298 . 14 1 1 A 81 81 ASP N N 96 126.380 118.898 7.482 1 1 299 . 14 1 1 A 82 82 GLU H H 97 8.836 8.725 0.111 1 1 300 . 14 1 1 A 82 82 GLU CA C 97 58.555 57.543 1.012 1 1 301 . 14 1 1 A 82 82 GLU CB C 97 28.422 40.162 -11.740 1 1 302 . 14 1 1 A 82 82 GLU N N 97 123.966 114.156 9.810 1 1 304 . 14 1 1 A 83 83 GLU CA C 98 56.619 62.185 -5.566 1 1 305 . 14 1 1 A 83 83 GLU CB C 98 30.722 32.783 -2.061 1 1 306 . 14 1 1 A 83 83 GLU N N 98 118.069 143.972 -25.903 1 1 307 . 14 1 1 A 84 84 GLU H H 99 7.298 7.522 -0.224 1 1 308 . 14 1 1 A 84 84 GLU CA C 99 54.482 53.838 0.644 1 1 309 . 14 1 1 A 84 84 GLU CB C 99 29.535 33.499 -3.964 1 1 310 . 14 1 1 A 84 84 GLU N N 99 119.571 121.075 -1.504 1 1 311 . 14 1 1 A 85 85 PRO CA C 100 62.512 60.806 1.706 1 1 312 . 14 1 1 A 85 85 PRO CB C 100 32.805 37.101 -4.296 1 1 313 . 14 1 1 A 86 86 LYS H H 101 8.640 8.885 -0.245 1 1 314 . 14 1 1 A 86 86 LYS CA C 101 55.615 52.858 2.757 1 1 315 . 14 1 1 A 86 86 LYS CB C 101 31.117 44.353 -13.236 1 1 316 . 14 1 1 A 86 86 LYS N N 101 122.999 128.502 -5.503 1 1 317 . 14 1 1 A 87 87 ASP H H 102 7.395 8.479 -1.084 1 1 318 . 14 1 1 A 87 87 ASP CA C 102 54.233 57.449 -3.216 1 1 319 . 14 1 1 A 87 87 ASP CB C 102 42.084 40.594 1.490 1 1 320 . 14 1 1 A 87 87 ASP N N 102 119.006 123.819 -4.813 1 1 321 . 14 1 1 A 88 88 GLU H H 103 9.217 8.533 0.684 1 1 322 . 14 1 1 A 88 88 GLU CA C 103 58.996 53.230 5.766 1 1 323 . 14 1 1 A 88 88 GLU CB C 103 29.226 45.729 -16.503 1 1 324 . 14 1 1 A 88 88 GLU N N 103 127.412 119.767 7.645 1 1 325 . 14 1 1 A 89 89 ASP H H 104 9.043 8.505 0.538 1 1 326 . 14 1 1 A 89 89 ASP CA C 104 56.138 52.882 3.256 1 1 327 . 14 1 1 A 89 89 ASP CB C 104 39.487 40.157 -0.670 1 1 328 . 14 1 1 A 89 89 ASP N N 104 121.056 119.684 1.372 1 1 330 . 14 1 1 A 90 90 PHE CA C 105 58.124 62.813 -4.689 1 1 331 . 14 1 1 A 90 90 PHE CB C 105 38.909 30.951 7.958 1 1 332 . 14 1 1 A 90 90 PHE N N 105 111.473 138.266 -26.793 1 1 333 . 14 1 1 A 91 91 SER H H 106 7.907 8.030 -0.123 1 1 334 . 14 1 1 A 91 91 SER CA C 106 55.565 58.370 -2.805 1 1 335 . 14 1 1 A 91 91 SER CB C 106 63.139 66.037 -2.898 1 1 336 . 14 1 1 A 91 91 SER N N 106 115.544 115.168 0.376 1 1 337 . 14 1 1 A 92 92 PRO CA C 107 65.329 45.492 19.837 1 1 339 . 14 1 1 A 93 93 ASP H H 108 9.095 7.512 1.583 1 1 340 . 14 1 1 A 93 93 ASP CA C 108 52.726 54.888 -2.162 1 1 341 . 14 1 1 A 93 93 ASP CB C 108 40.551 33.090 7.461 1 1 342 . 14 1 1 A 93 93 ASP N N 108 115.482 120.126 -4.644 1 1 343 . 14 1 1 A 94 94 GLY H H 109 6.947 7.960 -1.013 1 1 344 . 14 1 1 A 94 94 GLY CA C 109 44.385 63.545 -19.160 1 1 345 . 14 1 1 A 94 94 GLY N N 109 106.691 123.522 -16.831 1 1 346 . 14 1 1 A 95 95 GLY H H 110 8.423 8.491 -0.068 1 1 347 . 14 1 1 A 95 95 GLY CA C 110 45.873 54.048 -8.175 1 1 348 . 14 1 1 A 95 95 GLY N N 110 107.178 122.574 -15.396 1 1 350 . 14 1 1 A 96 96 TYR CA C 111 55.619 63.269 -7.650 1 1 351 . 14 1 1 A 96 96 TYR CB C 111 38.312 30.187 8.125 1 1 352 . 14 1 1 A 96 96 TYR N N 111 116.246 139.547 -23.301 1 1 353 . 14 1 1 A 97 97 ILE H H 112 7.878 9.435 -1.557 1 1 354 . 14 1 1 A 97 97 ILE CA C 112 58.650 58.303 0.347 1 1 355 . 14 1 1 A 97 97 ILE N N 112 113.713 117.333 -3.620 1 1 356 . 14 1 1 A 98 98 PRO CA C 113 62.337 60.378 1.959 1 1 357 . 14 1 1 A 98 98 PRO CB C 113 34.315 39.068 -4.753 1 1 358 . 14 1 1 A 99 99 ARG H H 114 8.514 9.071 -0.557 1 1 359 . 14 1 1 A 99 99 ARG CA C 114 54.460 58.614 -4.154 1 1 360 . 14 1 1 A 99 99 ARG CB C 114 34.399 40.784 -6.385 1 1 361 . 14 1 1 A 99 99 ARG N N 114 117.550 121.435 -3.885 1 1 362 . 14 1 1 A 100 100 ILE H H 115 8.819 8.383 0.436 1 1 363 . 14 1 1 A 100 100 ILE CA C 115 60.937 51.494 9.443 1 1 364 . 14 1 1 A 100 100 ILE CB C 115 39.021 37.350 1.671 1 1 365 . 14 1 1 A 100 100 ILE N N 115 122.056 121.364 0.692 1 1 366 . 14 1 1 A 101 101 LEU H H 116 8.692 8.517 0.175 1 1 367 . 14 1 1 A 101 101 LEU CA C 116 52.377 59.208 -6.831 1 1 368 . 14 1 1 A 101 101 LEU CB C 116 46.493 29.545 16.948 1 1 369 . 14 1 1 A 101 101 LEU N N 116 127.243 124.973 2.270 1 1 370 . 14 1 1 A 102 102 PHE H H 117 9.004 7.709 1.295 1 1 371 . 14 1 1 A 102 102 PHE CA C 117 57.076 53.763 3.313 1 1 372 . 14 1 1 A 102 102 PHE CB C 117 42.048 38.560 3.488 1 1 373 . 14 1 1 A 102 102 PHE N N 117 116.784 117.964 -1.180 1 1 374 . 14 1 1 A 103 103 LEU H H 118 9.303 8.603 0.700 1 1 375 . 14 1 1 A 103 103 LEU CA C 118 53.487 44.292 9.195 1 1 377 . 14 1 1 A 103 103 LEU N N 118 124.741 108.345 16.396 1 1 378 . 14 1 1 A 104 104 ASP H H 119 8.351 8.415 -0.064 1 1 379 . 14 1 1 A 104 104 ASP CA C 119 52.555 52.090 0.465 1 1 380 . 14 1 1 A 104 104 ASP CB C 119 39.406 37.831 1.575 1 1 381 . 14 1 1 A 104 104 ASP N N 119 117.539 118.177 -0.638 1 1 382 . 14 1 1 A 105 105 PRO CA C 120 65.106 63.277 1.829 1 1 383 . 14 1 1 A 105 105 PRO CB C 120 31.459 30.365 1.094 1 1 384 . 14 1 1 A 106 106 SER H H 121 8.229 8.176 0.053 1 1 385 . 14 1 1 A 106 106 SER CA C 121 58.891 58.781 0.110 1 1 386 . 14 1 1 A 106 106 SER CB C 121 64.061 65.787 -1.726 1 1 387 . 14 1 1 A 106 106 SER N N 121 111.546 113.816 -2.270 1 1 388 . 14 1 1 A 107 107 GLY H H 122 8.970 8.350 0.620 1 1 389 . 14 1 1 A 107 107 GLY CA C 122 45.417 61.369 -15.952 1 1 390 . 14 1 1 A 107 107 GLY N N 122 111.616 121.401 -9.785 1 1 391 . 14 1 1 A 108 108 LYS H H 123 7.405 7.432 -0.027 1 1 392 . 14 1 1 A 108 108 LYS CA C 123 54.729 58.444 -3.715 1 1 393 . 14 1 1 A 108 108 LYS CB C 123 32.929 31.235 1.694 1 1 394 . 14 1 1 A 108 108 LYS N N 123 120.930 116.900 4.030 1 1 395 . 14 1 1 A 109 109 VAL H H 124 8.875 8.345 0.530 1 1 396 . 14 1 1 A 109 109 VAL CA C 124 64.103 60.496 3.607 1 1 397 . 14 1 1 A 109 109 VAL CB C 124 32.249 38.118 -5.869 1 1 398 . 14 1 1 A 109 109 VAL N N 124 126.925 120.224 6.701 1 1 399 . 14 1 1 A 110 110 HIS H H 125 8.911 7.899 1.012 1 1 400 . 14 1 1 A 110 110 HIS CA C 125 54.469 59.648 -5.179 1 1 401 . 14 1 1 A 110 110 HIS CB C 125 28.893 39.781 -10.888 1 1 402 . 14 1 1 A 110 110 HIS N N 125 127.112 122.611 4.501 1 1 403 . 14 1 1 A 111 111 PRO CA C 126 63.311 56.170 7.141 1 1 404 . 14 1 1 A 111 111 PRO CB C 126 32.232 38.773 -6.541 1 1 405 . 14 1 1 A 112 112 GLU H H 127 10.959 9.040 1.919 1 1 406 . 14 1 1 A 112 112 GLU CA C 127 57.439 60.860 -3.421 1 1 407 . 14 1 1 A 112 112 GLU CB C 127 27.174 30.753 -3.579 1 1 408 . 14 1 1 A 112 112 GLU N N 127 123.144 126.404 -3.260 1 1 409 . 14 1 1 A 113 113 ILE H H 128 7.493 8.332 -0.839 1 1 410 . 14 1 1 A 113 113 ILE CA C 128 61.518 58.174 3.344 1 1 411 . 14 1 1 A 113 113 ILE CB C 128 35.365 66.667 -31.302 1 1 412 . 14 1 1 A 113 113 ILE N N 128 123.479 120.898 2.581 1 1 413 . 14 1 1 A 114 114 ILE H H 129 8.300 9.127 -0.827 1 1 414 . 14 1 1 A 114 114 ILE CA C 129 59.109 54.809 4.300 1 1 415 . 14 1 1 A 114 114 ILE CB C 129 42.309 18.637 23.672 1 1 416 . 14 1 1 A 114 114 ILE N N 129 123.439 128.309 -4.870 1 1 417 . 14 1 1 A 115 115 ASN H H 130 8.622 8.165 0.457 1 1 420 . 14 1 1 A 115 115 ASN CA C 130 51.381 59.679 -8.298 1 1 421 . 14 1 1 A 115 115 ASN CB C 130 35.215 29.104 6.111 1 1 422 . 14 1 1 A 115 115 ASN N N 130 114.712 118.860 -4.148 1 1 424 . 14 1 1 A 116 116 GLU H H 131 8.463 8.182 0.281 1 1 425 . 14 1 1 A 116 116 GLU CA C 131 58.882 58.929 -0.047 1 1 426 . 14 1 1 A 116 116 GLU CB C 131 29.606 28.399 1.207 1 1 427 . 14 1 1 A 116 116 GLU N N 131 127.900 118.582 9.318 1 1 428 . 14 1 1 A 117 117 ASN H H 132 7.545 7.590 -0.045 1 1 431 . 14 1 1 A 117 117 ASN CA C 132 52.960 64.876 -11.916 1 1 432 . 14 1 1 A 117 117 ASN CB C 132 39.777 31.123 8.654 1 1 433 . 14 1 1 A 117 117 ASN N N 132 113.958 115.859 -1.901 1 1 435 . 14 1 1 A 118 118 GLY H H 133 7.109 7.455 -0.346 1 1 436 . 14 1 1 A 118 118 GLY CA C 133 44.662 64.714 -20.052 1 1 437 . 14 1 1 A 118 118 GLY N N 133 107.288 122.288 -15.000 1 1 438 . 14 1 1 A 119 119 ASN H H 134 8.795 8.243 0.552 1 1 441 . 14 1 1 A 119 119 ASN CA C 134 50.277 58.421 -8.144 1 1 442 . 14 1 1 A 119 119 ASN CB C 134 40.102 28.145 11.957 1 1 443 . 14 1 1 A 119 119 ASN N N 134 122.889 119.993 2.896 1 1 445 . 14 1 1 A 120 120 PRO CA C 135 64.320 46.719 17.601 1 1 447 . 14 1 1 A 121 121 SER H H 136 8.260 8.000 0.260 1 1 448 . 14 1 1 A 121 121 SER CA C 136 60.199 58.415 1.784 1 1 449 . 14 1 1 A 121 121 SER CB C 136 63.228 32.663 30.565 1 1 450 . 14 1 1 A 121 121 SER N N 136 113.554 120.616 -7.062 1 1 451 . 14 1 1 A 122 122 TYR H H 137 7.580 8.591 -1.011 1 1 452 . 14 1 1 A 122 122 TYR CA C 137 54.584 58.484 -3.900 1 1 453 . 14 1 1 A 122 122 TYR CB C 137 38.872 31.194 7.678 1 1 454 . 14 1 1 A 122 122 TYR N N 137 119.864 117.948 1.916 1 1 455 . 14 1 1 A 123 123 LYS H H 138 9.556 7.665 1.891 1 1 456 . 14 1 1 A 123 123 LYS CA C 138 60.415 58.853 1.562 1 1 457 . 14 1 1 A 123 123 LYS CB C 138 31.945 30.300 1.645 1 1 458 . 14 1 1 A 123 123 LYS N N 138 123.955 120.292 3.663 1 1 459 . 14 1 1 A 124 124 TYR H H 139 8.486 7.832 0.654 1 1 460 . 14 1 1 A 124 124 TYR CA C 139 56.009 54.481 1.528 1 1 461 . 14 1 1 A 124 124 TYR CB C 139 37.666 17.963 19.703 1 1 462 . 14 1 1 A 124 124 TYR N N 139 113.738 121.699 -7.961 1 1 463 . 14 1 1 A 125 125 PHE H H 140 7.562 8.607 -1.045 1 1 464 . 14 1 1 A 125 125 PHE CA C 140 56.561 57.402 -0.841 1 1 465 . 14 1 1 A 125 125 PHE CB C 140 40.897 27.285 13.612 1 1 466 . 14 1 1 A 125 125 PHE N N 140 122.592 115.613 6.979 1 1 467 . 14 1 1 A 126 126 TYR H H 141 8.133 8.111 0.022 1 1 468 . 14 1 1 A 126 126 TYR CA C 141 57.326 56.929 0.397 1 1 469 . 14 1 1 A 126 126 TYR CB C 141 41.768 31.487 10.281 1 1 470 . 14 1 1 A 126 126 TYR N N 141 129.225 116.980 12.245 1 1 471 . 14 1 1 A 127 127 VAL H H 142 8.081 7.878 0.203 1 1 472 . 14 1 1 A 127 127 VAL CA C 142 61.414 58.191 3.223 1 1 473 . 14 1 1 A 127 127 VAL CB C 142 34.245 29.730 4.515 1 1 474 . 14 1 1 A 127 127 VAL N N 142 112.892 119.608 -6.716 1 1 475 . 14 1 1 A 128 128 SER H H 143 7.362 7.658 -0.296 1 1 476 . 14 1 1 A 128 128 SER CA C 143 55.028 56.334 -1.306 1 1 477 . 14 1 1 A 128 128 SER CB C 143 67.261 42.506 24.755 1 1 478 . 14 1 1 A 128 128 SER N N 143 112.848 117.839 -4.991 1 1 479 . 14 1 1 A 129 129 ALA H H 144 9.331 7.276 2.055 1 1 480 . 14 1 1 A 129 129 ALA CA C 144 55.568 62.924 -7.356 1 1 481 . 14 1 1 A 129 129 ALA CB C 144 18.005 68.602 -50.597 1 1 482 . 14 1 1 A 129 129 ALA N N 144 124.250 108.593 15.657 1 1 483 . 14 1 1 A 130 130 GLU H H 145 9.152 8.759 0.393 1 1 484 . 14 1 1 A 130 130 GLU CA C 145 60.626 45.189 15.437 1 1 486 . 14 1 1 A 130 130 GLU N N 145 116.980 115.056 1.924 1 1 487 . 14 1 1 A 131 131 GLN H H 146 7.621 8.210 -0.589 1 1 490 . 14 1 1 A 131 131 GLN CA C 146 58.552 55.582 2.970 1 1 491 . 14 1 1 A 131 131 GLN CB C 146 29.038 39.320 -10.282 1 1 492 . 14 1 1 A 131 131 GLN N N 146 117.565 113.792 3.773 1 1 494 . 14 1 1 A 132 132 VAL H H 147 7.780 8.181 -0.401 1 1 495 . 14 1 1 A 132 132 VAL CA C 147 66.928 51.824 15.104 1 1 496 . 14 1 1 A 132 132 VAL CB C 147 31.324 18.902 12.422 1 1 497 . 14 1 1 A 132 132 VAL N N 147 121.486 119.292 2.194 1 1 498 . 14 1 1 A 133 133 VAL H H 148 8.609 7.689 0.920 1 1 499 . 14 1 1 A 133 133 VAL CA C 148 67.053 57.568 9.485 1 1 500 . 14 1 1 A 133 133 VAL CB C 148 31.927 40.405 -8.478 1 1 501 . 14 1 1 A 133 133 VAL N N 148 119.560 113.184 6.376 1 1 502 . 14 1 1 A 134 134 GLN H H 149 7.365 6.640 0.725 1 1 505 . 14 1 1 A 134 134 GLN CA C 149 59.382 55.886 3.496 1 1 506 . 14 1 1 A 134 134 GLN CB C 149 27.860 29.629 -1.769 1 1 507 . 14 1 1 A 134 134 GLN N N 149 117.080 119.614 -2.534 1 1 509 . 14 1 1 A 135 135 GLY H H 150 8.085 8.337 -0.252 1 1 510 . 14 1 1 A 135 135 GLY CA C 150 47.499 55.189 -7.690 1 1 511 . 14 1 1 A 135 135 GLY N N 150 107.849 125.348 -17.499 1 1 512 . 14 1 1 A 136 136 MET H H 151 8.593 7.973 0.620 1 1 513 . 14 1 1 A 136 136 MET CA C 151 59.730 56.611 3.119 1 1 514 . 14 1 1 A 136 136 MET CB C 151 35.435 31.322 4.113 1 1 515 . 14 1 1 A 136 136 MET N N 151 119.390 115.515 3.875 1 1 516 . 14 1 1 A 137 137 LYS H H 152 8.591 8.542 0.049 1 1 517 . 14 1 1 A 137 137 LYS CA C 152 60.659 54.497 6.162 1 1 518 . 14 1 1 A 137 137 LYS CB C 152 32.617 31.284 1.333 1 1 519 . 14 1 1 A 137 137 LYS N N 152 119.226 122.303 -3.077 1 1 520 . 14 1 1 A 138 138 GLU H H 153 7.870 8.812 -0.942 1 1 521 . 14 1 1 A 138 138 GLU CA C 153 59.134 56.101 3.033 1 1 522 . 14 1 1 A 138 138 GLU CB C 153 28.879 40.248 -11.369 1 1 523 . 14 1 1 A 138 138 GLU N N 153 120.709 125.579 -4.870 1 1 524 . 14 1 1 A 139 139 ALA H H 154 8.493 8.197 0.296 1 1 525 . 14 1 1 A 139 139 ALA CA C 154 55.450 57.714 -2.264 1 1 526 . 14 1 1 A 139 139 ALA CB C 154 18.695 32.530 -13.835 1 1 527 . 14 1 1 A 139 139 ALA N N 154 120.598 116.197 4.401 1 1 528 . 14 1 1 A 140 140 GLN H H 155 8.582 7.800 0.782 1 1 531 . 14 1 1 A 140 140 GLN CA C 155 59.239 54.010 5.229 1 1 532 . 14 1 1 A 140 140 GLN CB C 155 28.027 41.839 -13.812 1 1 533 . 14 1 1 A 140 140 GLN N N 155 116.438 119.614 -3.176 1 1 535 . 14 1 1 A 141 141 GLU H H 156 7.563 8.991 -1.428 1 1 536 . 14 1 1 A 141 141 GLU CA C 156 58.896 58.967 -0.071 1 1 537 . 14 1 1 A 141 141 GLU CB C 156 29.885 28.275 1.610 1 1 538 . 14 1 1 A 141 141 GLU N N 156 118.759 116.895 1.864 1 1 1 . 15 1 1 A 7 7 HIS CA C 22 56.307 53.904 2.403 1 1 2 . 15 1 1 A 7 7 HIS CB C 22 30.341 30.559 -0.218 1 1 3 . 15 1 1 A 8 8 MET H H 23 8.449 7.930 0.519 1 1 4 . 15 1 1 A 8 8 MET CA C 23 55.742 61.534 -5.792 1 1 5 . 15 1 1 A 8 8 MET CB C 23 32.842 39.067 -6.225 1 1 6 . 15 1 1 A 8 8 MET N N 23 122.176 123.478 -1.302 1 1 7 . 15 1 1 A 9 9 SER H H 24 8.428 6.306 2.122 1 1 8 . 15 1 1 A 9 9 SER CA C 24 58.412 54.441 3.971 1 1 9 . 15 1 1 A 9 9 SER CB C 24 63.900 27.829 36.071 1 1 10 . 15 1 1 A 9 9 SER N N 24 116.789 117.724 -0.935 1 1 11 . 15 1 1 A 10 10 ASP H H 25 8.382 7.133 1.249 1 1 12 . 15 1 1 A 10 10 ASP CA C 25 54.487 56.448 -1.961 1 1 13 . 15 1 1 A 10 10 ASP CB C 25 41.285 30.796 10.489 1 1 14 . 15 1 1 A 10 10 ASP N N 25 122.384 117.555 4.829 1 1 15 . 15 1 1 A 11 11 GLY H H 26 8.363 7.557 0.806 1 1 16 . 15 1 1 A 11 11 GLY CA C 26 45.546 58.488 -12.942 1 1 17 . 15 1 1 A 11 11 GLY N N 26 108.671 120.923 -12.252 1 1 18 . 15 1 1 A 12 12 HIS H H 27 8.350 7.093 1.257 1 1 19 . 15 1 1 A 12 12 HIS CA C 27 56.103 61.084 -4.981 1 1 20 . 15 1 1 A 12 12 HIS CB C 27 29.813 70.668 -40.855 1 1 21 . 15 1 1 A 12 12 HIS N N 27 118.814 109.145 9.669 1 1 22 . 15 1 1 A 13 13 ASN H H 28 8.505 8.589 -0.084 1 1 25 . 15 1 1 A 13 13 ASN CA C 28 53.482 57.411 -3.929 1 1 26 . 15 1 1 A 13 13 ASN CB C 28 39.386 42.430 -3.044 1 1 27 . 15 1 1 A 13 13 ASN N N 28 119.523 124.097 -4.574 1 1 29 . 15 1 1 A 14 14 GLY H H 29 8.743 8.343 0.400 1 1 30 . 15 1 1 A 14 14 GLY CA C 29 45.534 59.724 -14.190 1 1 31 . 15 1 1 A 14 14 GLY N N 29 110.136 118.711 -8.575 1 1 32 . 15 1 1 A 15 15 LEU H H 30 8.466 8.126 0.340 1 1 33 . 15 1 1 A 15 15 LEU CA C 30 56.146 57.078 -0.932 1 1 34 . 15 1 1 A 15 15 LEU CB C 30 42.864 40.330 2.534 1 1 35 . 15 1 1 A 15 15 LEU N N 30 120.511 120.665 -0.154 1 1 36 . 15 1 1 A 16 16 GLY H H 31 8.886 8.482 0.404 1 1 37 . 15 1 1 A 16 16 GLY CA C 31 47.064 47.276 -0.212 1 1 38 . 15 1 1 A 16 16 GLY N N 31 108.073 108.404 -0.331 1 1 39 . 15 1 1 A 17 17 LYS H H 32 7.854 7.912 -0.058 1 1 40 . 15 1 1 A 17 17 LYS CA C 32 55.661 59.025 -3.364 1 1 41 . 15 1 1 A 17 17 LYS CB C 32 29.379 32.223 -2.844 1 1 42 . 15 1 1 A 17 17 LYS N N 32 110.952 121.867 -10.915 1 1 43 . 15 1 1 A 18 18 GLY H H 33 8.095 7.790 0.305 1 1 44 . 15 1 1 A 18 18 GLY CA C 33 44.893 59.863 -14.970 1 1 45 . 15 1 1 A 18 18 GLY N N 33 103.957 118.953 -14.996 1 1 46 . 15 1 1 A 19 19 PHE H H 34 7.887 8.144 -0.257 1 1 47 . 15 1 1 A 19 19 PHE CA C 34 61.146 59.107 2.039 1 1 48 . 15 1 1 A 19 19 PHE CB C 34 38.963 29.370 9.593 1 1 49 . 15 1 1 A 19 19 PHE N N 34 117.883 119.016 -1.133 1 1 50 . 15 1 1 A 20 20 GLY H H 35 7.696 8.244 -0.548 1 1 51 . 15 1 1 A 20 20 GLY CA C 35 45.189 54.837 -9.648 1 1 52 . 15 1 1 A 20 20 GLY N N 35 102.668 121.250 -18.582 1 1 53 . 15 1 1 A 21 21 ASP H H 36 9.284 7.653 1.631 1 1 54 . 15 1 1 A 21 21 ASP CA C 36 56.026 54.968 1.058 1 1 55 . 15 1 1 A 21 21 ASP CB C 36 40.543 18.673 21.870 1 1 56 . 15 1 1 A 21 21 ASP N N 36 129.289 120.057 9.232 1 1 57 . 15 1 1 A 22 22 HIS H H 37 9.058 8.146 0.912 1 1 58 . 15 1 1 A 22 22 HIS CA C 37 56.628 55.318 1.310 1 1 59 . 15 1 1 A 22 22 HIS CB C 37 29.941 18.631 11.310 1 1 60 . 15 1 1 A 22 22 HIS N N 37 116.742 120.638 -3.896 1 1 61 . 15 1 1 A 23 23 ILE H H 38 6.449 7.610 -1.161 1 1 62 . 15 1 1 A 23 23 ILE CA C 38 59.183 59.501 -0.318 1 1 63 . 15 1 1 A 23 23 ILE CB C 38 39.408 63.554 -24.146 1 1 64 . 15 1 1 A 23 23 ILE N N 38 124.704 113.977 10.727 1 1 65 . 15 1 1 A 24 24 HIS H H 39 7.857 8.460 -0.603 1 1 66 . 15 1 1 A 24 24 HIS CA C 39 52.931 46.421 6.510 1 1 68 . 15 1 1 A 24 24 HIS N N 39 124.600 109.610 14.990 1 1 69 . 15 1 1 A 25 25 TRP H H 40 8.032 7.439 0.593 1 1 71 . 15 1 1 A 25 25 TRP CA C 40 57.058 51.615 5.443 1 1 72 . 15 1 1 A 25 25 TRP CB C 40 30.411 43.291 -12.880 1 1 73 . 15 1 1 A 25 25 TRP N N 40 130.002 116.633 13.369 1 1 76 . 15 1 1 A 26 26 ARG CA C 41 54.500 62.270 -7.770 1 1 77 . 15 1 1 A 26 26 ARG CB C 41 35.055 32.799 2.256 1 1 78 . 15 1 1 A 26 26 ARG N N 41 122.005 136.854 -14.849 1 1 79 . 15 1 1 A 27 27 THR H H 42 8.562 8.080 0.482 1 1 80 . 15 1 1 A 27 27 THR CA C 42 61.294 53.275 8.019 1 1 81 . 15 1 1 A 27 27 THR CB C 42 70.325 45.549 24.776 1 1 82 . 15 1 1 A 27 27 THR N N 42 111.261 121.474 -10.213 1 1 83 . 15 1 1 A 28 28 LEU H H 43 8.994 8.397 0.597 1 1 84 . 15 1 1 A 28 28 LEU CA C 43 59.121 53.999 5.122 1 1 85 . 15 1 1 A 28 28 LEU CB C 43 41.515 32.614 8.901 1 1 86 . 15 1 1 A 28 28 LEU N N 43 121.976 122.755 -0.779 1 1 87 . 15 1 1 A 29 29 GLU H H 44 8.759 8.195 0.564 1 1 88 . 15 1 1 A 29 29 GLU CA C 44 59.928 63.032 -3.104 1 1 89 . 15 1 1 A 29 29 GLU CB C 44 29.342 31.292 -1.950 1 1 90 . 15 1 1 A 29 29 GLU N N 44 116.492 124.800 -8.308 1 1 91 . 15 1 1 A 30 30 ASP H H 45 7.692 9.122 -1.430 1 1 92 . 15 1 1 A 30 30 ASP CA C 45 57.131 60.139 -3.008 1 1 93 . 15 1 1 A 30 30 ASP CB C 45 40.093 38.060 2.033 1 1 94 . 15 1 1 A 30 30 ASP N N 45 119.105 129.011 -9.906 1 1 95 . 15 1 1 A 31 31 GLY H H 46 9.224 9.055 0.169 1 1 96 . 15 1 1 A 31 31 GLY CA C 46 47.426 60.334 -12.908 1 1 97 . 15 1 1 A 31 31 GLY N N 46 111.508 129.026 -17.518 1 1 98 . 15 1 1 A 32 32 LYS H H 47 8.691 8.696 -0.005 1 1 99 . 15 1 1 A 32 32 LYS CA C 47 60.968 54.299 6.669 1 1 100 . 15 1 1 A 32 32 LYS CB C 47 32.534 29.996 2.538 1 1 101 . 15 1 1 A 32 32 LYS N N 47 121.519 124.104 -2.585 1 1 102 . 15 1 1 A 33 33 LYS H H 48 7.234 8.130 -0.896 1 1 103 . 15 1 1 A 33 33 LYS CA C 48 59.734 56.724 3.010 1 1 104 . 15 1 1 A 33 33 LYS CB C 48 32.349 33.032 -0.683 1 1 105 . 15 1 1 A 33 33 LYS N N 48 119.937 124.339 -4.402 1 1 106 . 15 1 1 A 34 34 GLU H H 49 8.179 8.353 -0.174 1 1 107 . 15 1 1 A 34 34 GLU CA C 49 58.911 61.398 -2.487 1 1 108 . 15 1 1 A 34 34 GLU CB C 49 29.393 62.572 -33.179 1 1 109 . 15 1 1 A 34 34 GLU N N 49 121.748 115.522 6.226 1 1 110 . 15 1 1 A 35 35 ALA H H 50 9.142 7.809 1.333 1 1 111 . 15 1 1 A 35 35 ALA CA C 50 56.068 55.595 0.473 1 1 112 . 15 1 1 A 35 35 ALA CB C 50 19.504 27.081 -7.577 1 1 113 . 15 1 1 A 35 35 ALA N N 50 125.093 118.309 6.784 1 1 114 . 15 1 1 A 36 36 ALA H H 51 7.548 9.368 -1.820 1 1 115 . 15 1 1 A 36 36 ALA CA C 51 54.765 58.737 -3.972 1 1 116 . 15 1 1 A 36 36 ALA CB C 51 18.095 28.417 -10.322 1 1 117 . 15 1 1 A 36 36 ALA N N 51 118.057 123.917 -5.860 1 1 118 . 15 1 1 A 37 37 ALA H H 52 7.517 8.296 -0.779 1 1 119 . 15 1 1 A 37 37 ALA CA C 52 54.200 45.809 8.391 1 1 121 . 15 1 1 A 37 37 ALA N N 52 118.541 114.204 4.337 1 1 122 . 15 1 1 A 38 38 SER H H 53 8.330 7.942 0.388 1 1 123 . 15 1 1 A 38 38 SER CA C 53 59.095 54.308 4.787 1 1 124 . 15 1 1 A 38 38 SER CB C 53 65.540 17.866 47.674 1 1 125 . 15 1 1 A 38 38 SER N N 53 110.905 124.182 -13.277 1 1 126 . 15 1 1 A 39 39 GLY H H 54 8.454 7.353 1.101 1 1 127 . 15 1 1 A 39 39 GLY CA C 54 46.559 61.567 -15.008 1 1 128 . 15 1 1 A 39 39 GLY N N 54 112.427 115.161 -2.734 1 1 129 . 15 1 1 A 40 40 LEU H H 55 7.580 8.098 -0.518 1 1 130 . 15 1 1 A 40 40 LEU CA C 55 51.891 59.404 -7.513 1 1 131 . 15 1 1 A 40 40 LEU CB C 55 43.061 32.385 10.676 1 1 132 . 15 1 1 A 40 40 LEU N N 55 121.312 121.910 -0.598 1 1 133 . 15 1 1 A 41 41 PRO CA C 56 61.426 54.106 7.320 1 1 134 . 15 1 1 A 41 41 PRO CB C 56 32.878 18.611 14.267 1 1 135 . 15 1 1 A 42 42 LEU H H 57 8.447 8.025 0.422 1 1 136 . 15 1 1 A 42 42 LEU CA C 57 55.025 57.523 -2.498 1 1 137 . 15 1 1 A 42 42 LEU CB C 57 44.360 40.971 3.389 1 1 138 . 15 1 1 A 42 42 LEU N N 57 116.186 120.284 -4.098 1 1 139 . 15 1 1 A 43 43 MET H H 58 8.610 7.953 0.657 1 1 140 . 15 1 1 A 43 43 MET CA C 58 54.951 61.600 -6.649 1 1 141 . 15 1 1 A 43 43 MET CB C 58 34.319 31.082 3.237 1 1 142 . 15 1 1 A 43 43 MET N N 58 124.827 119.018 5.809 1 1 144 . 15 1 1 A 44 44 VAL CA C 59 60.237 65.160 -4.923 1 1 145 . 15 1 1 A 44 44 VAL CB C 59 34.052 31.111 2.941 1 1 146 . 15 1 1 A 44 44 VAL N N 59 125.176 132.958 -7.782 1 1 147 . 15 1 1 A 45 45 ILE H H 60 8.512 8.558 -0.046 1 1 148 . 15 1 1 A 45 45 ILE CA C 60 60.138 58.865 1.273 1 1 149 . 15 1 1 A 45 45 ILE CB C 60 40.622 32.786 7.836 1 1 150 . 15 1 1 A 45 45 ILE N N 60 125.614 116.364 9.250 1 1 151 . 15 1 1 A 46 46 ILE H H 61 9.528 8.919 0.609 1 1 152 . 15 1 1 A 46 46 ILE CA C 61 61.356 61.784 -0.428 1 1 153 . 15 1 1 A 46 46 ILE CB C 61 39.017 39.397 -0.380 1 1 154 . 15 1 1 A 46 46 ILE N N 61 130.237 121.073 9.164 1 1 155 . 15 1 1 A 47 47 HIS H H 62 8.926 8.464 0.462 1 1 156 . 15 1 1 A 47 47 HIS CA C 62 54.153 54.638 -0.485 1 1 157 . 15 1 1 A 47 47 HIS CB C 62 35.638 18.419 17.219 1 1 158 . 15 1 1 A 47 47 HIS N N 62 121.634 121.266 0.368 1 1 159 . 15 1 1 A 48 48 LYS H H 63 7.798 8.554 -0.756 1 1 160 . 15 1 1 A 48 48 LYS CA C 63 52.412 58.714 -6.302 1 1 161 . 15 1 1 A 48 48 LYS CB C 63 33.666 29.459 4.207 1 1 162 . 15 1 1 A 48 48 LYS N N 63 116.188 119.389 -3.201 1 1 163 . 15 1 1 A 49 49 SER H H 64 10.807 8.664 2.143 1 1 164 . 15 1 1 A 49 49 SER CA C 64 60.779 60.507 0.272 1 1 165 . 15 1 1 A 49 49 SER CB C 64 62.612 62.518 0.094 1 1 166 . 15 1 1 A 49 49 SER N N 64 121.963 116.030 5.933 1 1 167 . 15 1 1 A 50 50 TRP H H 65 6.564 7.821 -1.257 1 1 169 . 15 1 1 A 50 50 TRP CA C 65 54.246 66.658 -12.412 1 1 170 . 15 1 1 A 50 50 TRP CB C 65 29.500 68.961 -39.461 1 1 171 . 15 1 1 A 50 50 TRP N N 65 115.717 116.658 -0.941 1 1 173 . 15 1 1 A 51 51 CYS H H 66 6.689 7.954 -1.265 1 1 174 . 15 1 1 A 51 51 CYS CA C 66 60.195 59.172 1.023 1 1 175 . 15 1 1 A 51 51 CYS CB C 66 30.909 29.293 1.616 1 1 176 . 15 1 1 A 51 51 CYS N N 66 125.894 118.984 6.910 1 1 177 . 15 1 1 A 52 52 GLY H H 67 9.301 7.949 1.352 1 1 178 . 15 1 1 A 52 52 GLY CA C 67 47.510 63.712 -16.202 1 1 179 . 15 1 1 A 52 52 GLY N N 67 119.542 121.880 -2.338 1 1 180 . 15 1 1 A 53 53 ALA H H 68 9.861 8.311 1.550 1 1 181 . 15 1 1 A 53 53 ALA CA C 68 55.404 61.106 -5.702 1 1 182 . 15 1 1 A 53 53 ALA CB C 68 18.521 63.112 -44.591 1 1 183 . 15 1 1 A 53 53 ALA N N 68 133.080 116.994 16.086 1 1 184 . 15 1 1 A 54 54 CYS H H 69 9.891 7.458 2.433 1 1 185 . 15 1 1 A 54 54 CYS CA C 69 64.497 59.081 5.416 1 1 186 . 15 1 1 A 54 54 CYS CB C 69 29.057 30.156 -1.099 1 1 187 . 15 1 1 A 54 54 CYS N N 69 127.404 121.669 5.735 1 1 188 . 15 1 1 A 55 55 LYS H H 70 8.059 8.202 -0.143 1 1 189 . 15 1 1 A 55 55 LYS CA C 70 59.840 57.679 2.161 1 1 190 . 15 1 1 A 55 55 LYS CB C 70 32.942 41.058 -8.116 1 1 191 . 15 1 1 A 55 55 LYS N N 70 118.141 120.505 -2.364 1 1 192 . 15 1 1 A 56 56 ALA H H 71 7.517 8.359 -0.842 1 1 193 . 15 1 1 A 56 56 ALA CA C 71 53.989 61.066 -7.077 1 1 194 . 15 1 1 A 56 56 ALA CB C 71 18.501 63.290 -44.789 1 1 195 . 15 1 1 A 56 56 ALA N N 71 118.540 116.452 2.088 1 1 196 . 15 1 1 A 57 57 LEU H H 72 7.351 7.847 -0.496 1 1 197 . 15 1 1 A 57 57 LEU CA C 72 56.998 59.217 -2.219 1 1 198 . 15 1 1 A 57 57 LEU CB C 72 42.256 29.666 12.590 1 1 199 . 15 1 1 A 57 57 LEU N N 72 117.293 120.910 -3.617 1 1 200 . 15 1 1 A 58 58 LYS H H 73 7.101 7.686 -0.585 1 1 201 . 15 1 1 A 58 58 LYS CA C 73 62.302 55.068 7.234 1 1 202 . 15 1 1 A 58 58 LYS CB C 73 30.098 39.427 -9.329 1 1 203 . 15 1 1 A 58 58 LYS N N 73 115.956 117.761 -1.805 1 1 204 . 15 1 1 A 59 59 PRO CA C 74 65.581 56.393 9.188 1 1 205 . 15 1 1 A 59 59 PRO CB C 74 30.726 41.451 -10.725 1 1 206 . 15 1 1 A 60 60 LYS H H 75 6.694 8.307 -1.613 1 1 207 . 15 1 1 A 60 60 LYS CA C 75 58.353 60.322 -1.969 1 1 208 . 15 1 1 A 60 60 LYS CB C 75 32.606 35.337 -2.731 1 1 209 . 15 1 1 A 60 60 LYS N N 75 115.897 119.078 -3.181 1 1 210 . 15 1 1 A 61 61 PHE H H 76 8.285 8.508 -0.223 1 1 211 . 15 1 1 A 61 61 PHE CA C 76 60.241 52.698 7.543 1 1 212 . 15 1 1 A 61 61 PHE CB C 76 41.785 36.951 4.834 1 1 213 . 15 1 1 A 61 61 PHE N N 76 120.489 126.511 -6.022 1 1 214 . 15 1 1 A 62 62 ALA H H 77 9.036 8.586 0.450 1 1 215 . 15 1 1 A 62 62 ALA CA C 77 55.215 60.709 -5.494 1 1 216 . 15 1 1 A 62 62 ALA CB C 77 19.141 35.924 -16.783 1 1 217 . 15 1 1 A 62 62 ALA N N 77 119.890 118.002 1.888 1 1 218 . 15 1 1 A 63 63 GLU H H 78 7.541 9.000 -1.459 1 1 219 . 15 1 1 A 63 63 GLU CA C 78 55.965 52.358 3.607 1 1 220 . 15 1 1 A 63 63 GLU CB C 78 29.630 40.662 -11.032 1 1 221 . 15 1 1 A 63 63 GLU N N 78 111.511 126.283 -14.772 1 1 222 . 15 1 1 A 64 64 SER H H 79 6.861 8.834 -1.973 1 1 223 . 15 1 1 A 64 64 SER CA C 79 57.323 53.503 3.820 1 1 224 . 15 1 1 A 64 64 SER CB C 79 63.306 46.265 17.041 1 1 225 . 15 1 1 A 64 64 SER N N 79 111.856 128.448 -16.592 1 1 226 . 15 1 1 A 65 65 THR H H 80 9.169 8.655 0.514 1 1 227 . 15 1 1 A 65 65 THR CA C 80 65.335 54.743 10.592 1 1 228 . 15 1 1 A 65 65 THR CB C 80 68.216 33.041 35.175 1 1 229 . 15 1 1 A 65 65 THR N N 80 129.658 121.749 7.909 1 1 230 . 15 1 1 A 66 66 GLU H H 81 8.354 8.776 -0.422 1 1 231 . 15 1 1 A 66 66 GLU CA C 81 60.236 56.547 3.689 1 1 232 . 15 1 1 A 66 66 GLU CB C 81 30.136 40.743 -10.607 1 1 233 . 15 1 1 A 66 66 GLU N N 81 123.573 123.020 0.553 1 1 234 . 15 1 1 A 67 67 ILE H H 82 7.922 8.726 -0.804 1 1 235 . 15 1 1 A 67 67 ILE CA C 82 66.084 59.076 7.008 1 1 236 . 15 1 1 A 67 67 ILE CB C 82 37.806 28.938 8.868 1 1 237 . 15 1 1 A 67 67 ILE N N 82 119.503 116.335 3.168 1 1 238 . 15 1 1 A 68 68 SER H H 83 7.214 7.726 -0.512 1 1 239 . 15 1 1 A 68 68 SER CA C 83 63.512 55.008 8.504 1 1 240 . 15 1 1 A 68 68 SER CB C 83 62.330 29.473 32.857 1 1 241 . 15 1 1 A 68 68 SER N N 83 112.464 119.716 -7.252 1 1 242 . 15 1 1 A 69 69 GLU H H 84 8.224 8.006 0.218 1 1 243 . 15 1 1 A 69 69 GLU CA C 84 59.597 54.773 4.824 1 1 244 . 15 1 1 A 69 69 GLU CB C 84 29.640 30.004 -0.364 1 1 245 . 15 1 1 A 69 69 GLU N N 84 120.267 123.671 -3.404 1 1 247 . 15 1 1 A 70 70 LEU CA C 85 57.423 62.939 -5.516 1 1 248 . 15 1 1 A 70 70 LEU CB C 85 42.942 31.967 10.975 1 1 249 . 15 1 1 A 70 70 LEU N N 85 119.797 141.824 -22.027 1 1 250 . 15 1 1 A 71 71 SER H H 86 8.580 8.762 -0.182 1 1 251 . 15 1 1 A 71 71 SER CA C 86 62.310 56.069 6.241 1 1 252 . 15 1 1 A 71 71 SER CB C 86 62.306 30.633 31.673 1 1 253 . 15 1 1 A 71 71 SER N N 86 114.965 121.208 -6.243 1 1 254 . 15 1 1 A 72 72 HIS H H 87 7.189 8.442 -1.253 1 1 255 . 15 1 1 A 72 72 HIS CA C 87 57.593 53.107 4.486 1 1 256 . 15 1 1 A 72 72 HIS CB C 87 28.816 44.151 -15.335 1 1 257 . 15 1 1 A 72 72 HIS N N 87 119.159 122.760 -3.601 1 1 258 . 15 1 1 A 73 73 ASN H H 88 8.148 8.919 -0.771 1 1 261 . 15 1 1 A 73 73 ASN CA C 88 52.994 58.633 -5.639 1 1 262 . 15 1 1 A 73 73 ASN CB C 88 38.894 28.942 9.952 1 1 263 . 15 1 1 A 73 73 ASN N N 88 116.602 121.238 -4.636 1 1 265 . 15 1 1 A 74 74 PHE H H 89 7.623 8.198 -0.575 1 1 266 . 15 1 1 A 74 74 PHE CA C 89 56.882 56.475 0.407 1 1 267 . 15 1 1 A 74 74 PHE CB C 89 44.873 40.847 4.026 1 1 268 . 15 1 1 A 74 74 PHE N N 89 114.645 119.784 -5.139 1 1 269 . 15 1 1 A 75 75 VAL H H 90 8.952 7.516 1.436 1 1 270 . 15 1 1 A 75 75 VAL CA C 90 63.301 56.905 6.396 1 1 271 . 15 1 1 A 75 75 VAL CB C 90 31.213 40.201 -8.988 1 1 272 . 15 1 1 A 75 75 VAL N N 90 120.004 113.557 6.447 1 1 273 . 15 1 1 A 76 76 MET H H 91 7.486 6.866 0.620 1 1 274 . 15 1 1 A 76 76 MET CA C 91 53.528 55.151 -1.623 1 1 275 . 15 1 1 A 76 76 MET CB C 91 30.717 63.592 -32.875 1 1 276 . 15 1 1 A 76 76 MET N N 91 129.189 114.336 14.853 1 1 278 . 15 1 1 A 77 77 VAL CA C 92 60.953 63.002 -2.049 1 1 279 . 15 1 1 A 77 77 VAL CB C 92 37.090 30.585 6.505 1 1 280 . 15 1 1 A 77 77 VAL N N 92 122.955 138.118 -15.163 1 1 281 . 15 1 1 A 78 78 ASN H H 93 10.248 7.896 2.352 1 1 283 . 15 1 1 A 78 78 ASN CA C 93 52.125 55.527 -3.402 1 1 284 . 15 1 1 A 78 78 ASN CB C 93 41.857 42.575 -0.718 1 1 285 . 15 1 1 A 78 78 ASN N N 93 126.507 118.728 7.779 1 1 287 . 15 1 1 A 79 79 LEU H H 94 9.104 8.250 0.854 1 1 288 . 15 1 1 A 79 79 LEU CA C 94 52.410 45.010 7.400 1 1 290 . 15 1 1 A 79 79 LEU N N 94 123.073 108.378 14.695 1 1 291 . 15 1 1 A 80 80 GLU H H 95 9.161 8.533 0.628 1 1 292 . 15 1 1 A 80 80 GLU CA C 95 53.391 44.898 8.493 1 1 294 . 15 1 1 A 80 80 GLU N N 95 125.765 108.271 17.494 1 1 295 . 15 1 1 A 81 81 ASP H H 96 8.107 7.720 0.387 1 1 296 . 15 1 1 A 81 81 ASP CA C 96 57.563 58.024 -0.461 1 1 297 . 15 1 1 A 81 81 ASP CB C 96 38.605 39.542 -0.937 1 1 298 . 15 1 1 A 81 81 ASP N N 96 126.380 118.787 7.593 1 1 299 . 15 1 1 A 82 82 GLU H H 97 8.836 8.891 -0.055 1 1 300 . 15 1 1 A 82 82 GLU CA C 97 58.555 57.868 0.687 1 1 301 . 15 1 1 A 82 82 GLU CB C 97 28.422 40.195 -11.773 1 1 302 . 15 1 1 A 82 82 GLU N N 97 123.966 116.268 7.698 1 1 304 . 15 1 1 A 83 83 GLU CA C 98 56.619 62.583 -5.964 1 1 305 . 15 1 1 A 83 83 GLU CB C 98 30.722 32.940 -2.218 1 1 306 . 15 1 1 A 83 83 GLU N N 98 118.069 144.027 -25.958 1 1 307 . 15 1 1 A 84 84 GLU H H 99 7.298 8.453 -1.155 1 1 308 . 15 1 1 A 84 84 GLU CA C 99 54.482 54.345 0.137 1 1 309 . 15 1 1 A 84 84 GLU CB C 99 29.535 34.220 -4.685 1 1 310 . 15 1 1 A 84 84 GLU N N 99 119.571 121.516 -1.945 1 1 311 . 15 1 1 A 85 85 PRO CA C 100 62.512 60.809 1.703 1 1 312 . 15 1 1 A 85 85 PRO CB C 100 32.805 38.433 -5.628 1 1 313 . 15 1 1 A 86 86 LYS H H 101 8.640 9.259 -0.619 1 1 314 . 15 1 1 A 86 86 LYS CA C 101 55.615 52.936 2.679 1 1 315 . 15 1 1 A 86 86 LYS CB C 101 31.117 43.733 -12.616 1 1 316 . 15 1 1 A 86 86 LYS N N 101 122.999 128.582 -5.583 1 1 317 . 15 1 1 A 87 87 ASP H H 102 7.395 8.635 -1.240 1 1 318 . 15 1 1 A 87 87 ASP CA C 102 54.233 58.547 -4.314 1 1 319 . 15 1 1 A 87 87 ASP CB C 102 42.084 40.559 1.525 1 1 320 . 15 1 1 A 87 87 ASP N N 102 119.006 124.563 -5.557 1 1 321 . 15 1 1 A 88 88 GLU H H 103 9.217 8.679 0.538 1 1 322 . 15 1 1 A 88 88 GLU CA C 103 58.996 54.020 4.976 1 1 323 . 15 1 1 A 88 88 GLU CB C 103 29.226 43.889 -14.663 1 1 324 . 15 1 1 A 88 88 GLU N N 103 127.412 118.488 8.924 1 1 325 . 15 1 1 A 89 89 ASP H H 104 9.043 8.434 0.609 1 1 326 . 15 1 1 A 89 89 ASP CA C 104 56.138 52.681 3.457 1 1 327 . 15 1 1 A 89 89 ASP CB C 104 39.487 39.927 -0.440 1 1 328 . 15 1 1 A 89 89 ASP N N 104 121.056 119.310 1.746 1 1 330 . 15 1 1 A 90 90 PHE CA C 105 58.124 63.443 -5.319 1 1 331 . 15 1 1 A 90 90 PHE CB C 105 38.909 30.764 8.145 1 1 332 . 15 1 1 A 90 90 PHE N N 105 111.473 136.846 -25.373 1 1 333 . 15 1 1 A 91 91 SER H H 106 7.907 8.301 -0.394 1 1 334 . 15 1 1 A 91 91 SER CA C 106 55.565 57.671 -2.106 1 1 335 . 15 1 1 A 91 91 SER CB C 106 63.139 64.131 -0.992 1 1 336 . 15 1 1 A 91 91 SER N N 106 115.544 113.648 1.896 1 1 337 . 15 1 1 A 92 92 PRO CA C 107 65.329 46.545 18.784 1 1 339 . 15 1 1 A 93 93 ASP H H 108 9.095 7.182 1.913 1 1 340 . 15 1 1 A 93 93 ASP CA C 108 52.726 55.217 -2.491 1 1 341 . 15 1 1 A 93 93 ASP CB C 108 40.551 33.516 7.035 1 1 342 . 15 1 1 A 93 93 ASP N N 108 115.482 115.103 0.379 1 1 343 . 15 1 1 A 94 94 GLY H H 109 6.947 8.220 -1.273 1 1 344 . 15 1 1 A 94 94 GLY CA C 109 44.385 63.623 -19.238 1 1 345 . 15 1 1 A 94 94 GLY N N 109 106.691 126.225 -19.534 1 1 346 . 15 1 1 A 95 95 GLY H H 110 8.423 8.123 0.300 1 1 347 . 15 1 1 A 95 95 GLY CA C 110 45.873 54.524 -8.651 1 1 348 . 15 1 1 A 95 95 GLY N N 110 107.178 122.379 -15.201 1 1 350 . 15 1 1 A 96 96 TYR CA C 111 55.619 63.365 -7.746 1 1 351 . 15 1 1 A 96 96 TYR CB C 111 38.312 30.396 7.916 1 1 352 . 15 1 1 A 96 96 TYR N N 111 116.246 140.561 -24.315 1 1 353 . 15 1 1 A 97 97 ILE H H 112 7.878 9.336 -1.458 1 1 354 . 15 1 1 A 97 97 ILE CA C 112 58.650 58.381 0.269 1 1 355 . 15 1 1 A 97 97 ILE N N 112 113.713 120.852 -7.139 1 1 356 . 15 1 1 A 98 98 PRO CA C 113 62.337 60.190 2.147 1 1 357 . 15 1 1 A 98 98 PRO CB C 113 34.315 41.409 -7.094 1 1 358 . 15 1 1 A 99 99 ARG H H 114 8.514 8.986 -0.472 1 1 359 . 15 1 1 A 99 99 ARG CA C 114 54.460 58.807 -4.347 1 1 360 . 15 1 1 A 99 99 ARG CB C 114 34.399 41.293 -6.894 1 1 361 . 15 1 1 A 99 99 ARG N N 114 117.550 121.412 -3.862 1 1 362 . 15 1 1 A 100 100 ILE H H 115 8.819 8.517 0.302 1 1 363 . 15 1 1 A 100 100 ILE CA C 115 60.937 51.687 9.250 1 1 364 . 15 1 1 A 100 100 ILE CB C 115 39.021 37.689 1.332 1 1 365 . 15 1 1 A 100 100 ILE N N 115 122.056 121.672 0.384 1 1 366 . 15 1 1 A 101 101 LEU H H 116 8.692 8.463 0.229 1 1 367 . 15 1 1 A 101 101 LEU CA C 116 52.377 59.218 -6.841 1 1 368 . 15 1 1 A 101 101 LEU CB C 116 46.493 29.564 16.929 1 1 369 . 15 1 1 A 101 101 LEU N N 116 127.243 125.328 1.915 1 1 370 . 15 1 1 A 102 102 PHE H H 117 9.004 8.291 0.713 1 1 371 . 15 1 1 A 102 102 PHE CA C 117 57.076 56.121 0.955 1 1 372 . 15 1 1 A 102 102 PHE CB C 117 42.048 38.387 3.661 1 1 373 . 15 1 1 A 102 102 PHE N N 117 116.784 118.901 -2.117 1 1 374 . 15 1 1 A 103 103 LEU H H 118 9.303 7.984 1.319 1 1 375 . 15 1 1 A 103 103 LEU CA C 118 53.487 44.422 9.065 1 1 377 . 15 1 1 A 103 103 LEU N N 118 124.741 107.968 16.773 1 1 378 . 15 1 1 A 104 104 ASP H H 119 8.351 8.447 -0.096 1 1 379 . 15 1 1 A 104 104 ASP CA C 119 52.555 51.872 0.683 1 1 380 . 15 1 1 A 104 104 ASP CB C 119 39.406 37.901 1.505 1 1 381 . 15 1 1 A 104 104 ASP N N 119 117.539 116.239 1.300 1 1 382 . 15 1 1 A 105 105 PRO CA C 120 65.106 62.759 2.347 1 1 383 . 15 1 1 A 105 105 PRO CB C 120 31.459 29.589 1.870 1 1 384 . 15 1 1 A 106 106 SER H H 121 8.229 8.133 0.096 1 1 385 . 15 1 1 A 106 106 SER CA C 121 58.891 57.346 1.545 1 1 386 . 15 1 1 A 106 106 SER CB C 121 64.061 63.949 0.112 1 1 387 . 15 1 1 A 106 106 SER N N 121 111.546 116.095 -4.549 1 1 388 . 15 1 1 A 107 107 GLY H H 122 8.970 7.982 0.988 1 1 389 . 15 1 1 A 107 107 GLY CA C 122 45.417 58.826 -13.409 1 1 390 . 15 1 1 A 107 107 GLY N N 122 111.616 120.513 -8.897 1 1 391 . 15 1 1 A 108 108 LYS H H 123 7.405 7.875 -0.470 1 1 392 . 15 1 1 A 108 108 LYS CA C 123 54.729 58.473 -3.744 1 1 393 . 15 1 1 A 108 108 LYS CB C 123 32.929 30.969 1.960 1 1 394 . 15 1 1 A 108 108 LYS N N 123 120.930 116.717 4.213 1 1 395 . 15 1 1 A 109 109 VAL H H 124 8.875 8.169 0.706 1 1 396 . 15 1 1 A 109 109 VAL CA C 124 64.103 60.322 3.781 1 1 397 . 15 1 1 A 109 109 VAL CB C 124 32.249 37.709 -5.460 1 1 398 . 15 1 1 A 109 109 VAL N N 124 126.925 119.784 7.141 1 1 399 . 15 1 1 A 110 110 HIS H H 125 8.911 7.854 1.057 1 1 400 . 15 1 1 A 110 110 HIS CA C 125 54.469 58.648 -4.179 1 1 401 . 15 1 1 A 110 110 HIS CB C 125 28.893 39.533 -10.640 1 1 402 . 15 1 1 A 110 110 HIS N N 125 127.112 121.228 5.884 1 1 403 . 15 1 1 A 111 111 PRO CA C 126 63.311 54.993 8.318 1 1 404 . 15 1 1 A 111 111 PRO CB C 126 32.232 41.958 -9.726 1 1 405 . 15 1 1 A 112 112 GLU H H 127 10.959 8.411 2.548 1 1 406 . 15 1 1 A 112 112 GLU CA C 127 57.439 61.227 -3.788 1 1 407 . 15 1 1 A 112 112 GLU CB C 127 27.174 33.664 -6.490 1 1 408 . 15 1 1 A 112 112 GLU N N 127 123.144 117.434 5.710 1 1 409 . 15 1 1 A 113 113 ILE H H 128 7.493 8.607 -1.114 1 1 410 . 15 1 1 A 113 113 ILE CA C 128 61.518 57.592 3.926 1 1 411 . 15 1 1 A 113 113 ILE CB C 128 35.365 65.205 -29.840 1 1 412 . 15 1 1 A 113 113 ILE N N 128 123.479 119.198 4.281 1 1 413 . 15 1 1 A 114 114 ILE H H 129 8.300 8.782 -0.482 1 1 414 . 15 1 1 A 114 114 ILE CA C 129 59.109 54.400 4.709 1 1 415 . 15 1 1 A 114 114 ILE CB C 129 42.309 18.547 23.762 1 1 416 . 15 1 1 A 114 114 ILE N N 129 123.439 125.554 -2.115 1 1 417 . 15 1 1 A 115 115 ASN H H 130 8.622 8.173 0.449 1 1 420 . 15 1 1 A 115 115 ASN CA C 130 51.381 59.789 -8.408 1 1 421 . 15 1 1 A 115 115 ASN CB C 130 35.215 29.044 6.171 1 1 422 . 15 1 1 A 115 115 ASN N N 130 114.712 119.487 -4.775 1 1 424 . 15 1 1 A 116 116 GLU H H 131 8.463 8.119 0.344 1 1 425 . 15 1 1 A 116 116 GLU CA C 131 58.882 58.797 0.085 1 1 426 . 15 1 1 A 116 116 GLU CB C 131 29.606 28.329 1.277 1 1 427 . 15 1 1 A 116 116 GLU N N 131 127.900 118.424 9.476 1 1 428 . 15 1 1 A 117 117 ASN H H 132 7.545 7.483 0.062 1 1 431 . 15 1 1 A 117 117 ASN CA C 132 52.960 65.560 -12.600 1 1 432 . 15 1 1 A 117 117 ASN CB C 132 39.777 31.442 8.335 1 1 433 . 15 1 1 A 117 117 ASN N N 132 113.958 115.946 -1.988 1 1 435 . 15 1 1 A 118 118 GLY H H 133 7.109 7.558 -0.449 1 1 436 . 15 1 1 A 118 118 GLY CA C 133 44.662 64.794 -20.132 1 1 437 . 15 1 1 A 118 118 GLY N N 133 107.288 121.985 -14.697 1 1 438 . 15 1 1 A 119 119 ASN H H 134 8.795 8.440 0.355 1 1 441 . 15 1 1 A 119 119 ASN CA C 134 50.277 58.412 -8.135 1 1 442 . 15 1 1 A 119 119 ASN CB C 134 40.102 27.974 12.128 1 1 443 . 15 1 1 A 119 119 ASN N N 134 122.889 119.746 3.143 1 1 445 . 15 1 1 A 120 120 PRO CA C 135 64.320 46.440 17.880 1 1 447 . 15 1 1 A 121 121 SER H H 136 8.260 7.979 0.281 1 1 448 . 15 1 1 A 121 121 SER CA C 136 60.199 58.373 1.826 1 1 449 . 15 1 1 A 121 121 SER CB C 136 63.228 32.682 30.546 1 1 450 . 15 1 1 A 121 121 SER N N 136 113.554 120.586 -7.032 1 1 451 . 15 1 1 A 122 122 TYR H H 137 7.580 8.448 -0.868 1 1 452 . 15 1 1 A 122 122 TYR CA C 137 54.584 58.449 -3.865 1 1 453 . 15 1 1 A 122 122 TYR CB C 137 38.872 31.329 7.543 1 1 454 . 15 1 1 A 122 122 TYR N N 137 119.864 118.165 1.699 1 1 455 . 15 1 1 A 123 123 LYS H H 138 9.556 7.648 1.908 1 1 456 . 15 1 1 A 123 123 LYS CA C 138 60.415 58.419 1.996 1 1 457 . 15 1 1 A 123 123 LYS CB C 138 31.945 30.284 1.661 1 1 458 . 15 1 1 A 123 123 LYS N N 138 123.955 118.786 5.169 1 1 459 . 15 1 1 A 124 124 TYR H H 139 8.486 7.725 0.761 1 1 460 . 15 1 1 A 124 124 TYR CA C 139 56.009 54.591 1.418 1 1 461 . 15 1 1 A 124 124 TYR CB C 139 37.666 17.851 19.815 1 1 462 . 15 1 1 A 124 124 TYR N N 139 113.738 122.297 -8.559 1 1 463 . 15 1 1 A 125 125 PHE H H 140 7.562 7.965 -0.403 1 1 464 . 15 1 1 A 125 125 PHE CA C 140 56.561 57.106 -0.545 1 1 465 . 15 1 1 A 125 125 PHE CB C 140 40.897 26.855 14.042 1 1 466 . 15 1 1 A 125 125 PHE N N 140 122.592 115.064 7.528 1 1 467 . 15 1 1 A 126 126 TYR H H 141 8.133 8.868 -0.735 1 1 468 . 15 1 1 A 126 126 TYR CA C 141 57.326 57.299 0.027 1 1 469 . 15 1 1 A 126 126 TYR CB C 141 41.768 31.680 10.088 1 1 470 . 15 1 1 A 126 126 TYR N N 141 129.225 119.591 9.634 1 1 471 . 15 1 1 A 127 127 VAL H H 142 8.081 7.750 0.331 1 1 472 . 15 1 1 A 127 127 VAL CA C 142 61.414 57.333 4.081 1 1 473 . 15 1 1 A 127 127 VAL CB C 142 34.245 31.651 2.594 1 1 474 . 15 1 1 A 127 127 VAL N N 142 112.892 116.842 -3.950 1 1 475 . 15 1 1 A 128 128 SER H H 143 7.362 8.055 -0.693 1 1 476 . 15 1 1 A 128 128 SER CA C 143 55.028 56.861 -1.833 1 1 477 . 15 1 1 A 128 128 SER CB C 143 67.261 41.091 26.170 1 1 478 . 15 1 1 A 128 128 SER N N 143 112.848 122.577 -9.729 1 1 479 . 15 1 1 A 129 129 ALA H H 144 9.331 7.388 1.943 1 1 480 . 15 1 1 A 129 129 ALA CA C 144 55.568 61.153 -5.585 1 1 481 . 15 1 1 A 129 129 ALA CB C 144 18.005 68.512 -50.507 1 1 482 . 15 1 1 A 129 129 ALA N N 144 124.250 108.307 15.943 1 1 483 . 15 1 1 A 130 130 GLU H H 145 9.152 8.222 0.930 1 1 484 . 15 1 1 A 130 130 GLU CA C 145 60.626 45.541 15.085 1 1 486 . 15 1 1 A 130 130 GLU N N 145 116.980 111.430 5.550 1 1 487 . 15 1 1 A 131 131 GLN H H 146 7.621 8.487 -0.866 1 1 490 . 15 1 1 A 131 131 GLN CA C 146 58.552 53.232 5.320 1 1 491 . 15 1 1 A 131 131 GLN CB C 146 29.038 42.018 -12.980 1 1 492 . 15 1 1 A 131 131 GLN N N 146 117.565 124.488 -6.923 1 1 494 . 15 1 1 A 132 132 VAL H H 147 7.780 7.966 -0.186 1 1 495 . 15 1 1 A 132 132 VAL CA C 147 66.928 54.081 12.847 1 1 496 . 15 1 1 A 132 132 VAL CB C 147 31.324 18.999 12.325 1 1 497 . 15 1 1 A 132 132 VAL N N 147 121.486 122.349 -0.863 1 1 498 . 15 1 1 A 133 133 VAL H H 148 8.609 8.134 0.475 1 1 499 . 15 1 1 A 133 133 VAL CA C 148 67.053 60.583 6.470 1 1 500 . 15 1 1 A 133 133 VAL CB C 148 31.927 37.673 -5.746 1 1 501 . 15 1 1 A 133 133 VAL N N 148 119.560 115.601 3.959 1 1 502 . 15 1 1 A 134 134 GLN H H 149 7.365 6.823 0.542 1 1 505 . 15 1 1 A 134 134 GLN CA C 149 59.382 57.958 1.424 1 1 506 . 15 1 1 A 134 134 GLN CB C 149 27.860 30.545 -2.685 1 1 507 . 15 1 1 A 134 134 GLN N N 149 117.080 118.287 -1.207 1 1 509 . 15 1 1 A 135 135 GLY H H 150 8.085 7.424 0.661 1 1 510 . 15 1 1 A 135 135 GLY CA C 150 47.499 55.239 -7.740 1 1 511 . 15 1 1 A 135 135 GLY N N 150 107.849 113.215 -5.366 1 1 512 . 15 1 1 A 136 136 MET H H 151 8.593 8.556 0.037 1 1 513 . 15 1 1 A 136 136 MET CA C 151 59.730 57.684 2.046 1 1 514 . 15 1 1 A 136 136 MET CB C 151 35.435 34.001 1.434 1 1 515 . 15 1 1 A 136 136 MET N N 151 119.390 121.423 -2.033 1 1 516 . 15 1 1 A 137 137 LYS H H 152 8.591 8.491 0.100 1 1 517 . 15 1 1 A 137 137 LYS CA C 152 60.659 58.699 1.960 1 1 518 . 15 1 1 A 137 137 LYS CB C 152 32.617 29.791 2.826 1 1 519 . 15 1 1 A 137 137 LYS N N 152 119.226 118.453 0.773 1 1 520 . 15 1 1 A 138 138 GLU H H 153 7.870 7.684 0.186 1 1 521 . 15 1 1 A 138 138 GLU CA C 153 59.134 56.381 2.753 1 1 522 . 15 1 1 A 138 138 GLU CB C 153 28.879 44.009 -15.130 1 1 523 . 15 1 1 A 138 138 GLU N N 153 120.709 116.305 4.404 1 1 524 . 15 1 1 A 139 139 ALA H H 154 8.493 8.302 0.191 1 1 525 . 15 1 1 A 139 139 ALA CA C 154 55.450 58.027 -2.577 1 1 526 . 15 1 1 A 139 139 ALA CB C 154 18.695 32.639 -13.944 1 1 527 . 15 1 1 A 139 139 ALA N N 154 120.598 118.497 2.101 1 1 528 . 15 1 1 A 140 140 GLN H H 155 8.582 8.044 0.538 1 1 531 . 15 1 1 A 140 140 GLN CA C 155 59.239 55.060 4.179 1 1 532 . 15 1 1 A 140 140 GLN CB C 155 28.027 43.086 -15.059 1 1 533 . 15 1 1 A 140 140 GLN N N 155 116.438 116.567 -0.129 1 1 535 . 15 1 1 A 141 141 GLU H H 156 7.563 8.226 -0.663 1 1 536 . 15 1 1 A 141 141 GLU CA C 156 58.896 57.241 1.655 1 1 537 . 15 1 1 A 141 141 GLU CB C 156 29.885 28.577 1.308 1 1 538 . 15 1 1 A 141 141 GLU N N 156 118.759 119.040 -0.281 1 1 1 . 16 1 1 A 7 7 HIS CA C 22 56.307 54.034 2.273 1 1 2 . 16 1 1 A 7 7 HIS CB C 22 30.341 30.109 0.232 1 1 3 . 16 1 1 A 8 8 MET H H 23 8.449 7.906 0.543 1 1 4 . 16 1 1 A 8 8 MET CA C 23 55.742 61.433 -5.691 1 1 5 . 16 1 1 A 8 8 MET CB C 23 32.842 38.929 -6.087 1 1 6 . 16 1 1 A 8 8 MET N N 23 122.176 122.674 -0.498 1 1 7 . 16 1 1 A 9 9 SER H H 24 8.428 6.537 1.891 1 1 8 . 16 1 1 A 9 9 SER CA C 24 58.412 54.149 4.263 1 1 9 . 16 1 1 A 9 9 SER CB C 24 63.900 27.621 36.279 1 1 10 . 16 1 1 A 9 9 SER N N 24 116.789 117.755 -0.966 1 1 11 . 16 1 1 A 10 10 ASP H H 25 8.382 7.132 1.250 1 1 12 . 16 1 1 A 10 10 ASP CA C 25 54.487 56.364 -1.877 1 1 13 . 16 1 1 A 10 10 ASP CB C 25 41.285 30.206 11.079 1 1 14 . 16 1 1 A 10 10 ASP N N 25 122.384 117.601 4.783 1 1 15 . 16 1 1 A 11 11 GLY H H 26 8.363 7.528 0.835 1 1 16 . 16 1 1 A 11 11 GLY CA C 26 45.546 58.624 -13.078 1 1 17 . 16 1 1 A 11 11 GLY N N 26 108.671 120.961 -12.290 1 1 18 . 16 1 1 A 12 12 HIS H H 27 8.350 7.101 1.249 1 1 19 . 16 1 1 A 12 12 HIS CA C 27 56.103 61.019 -4.916 1 1 20 . 16 1 1 A 12 12 HIS CB C 27 29.813 70.698 -40.885 1 1 21 . 16 1 1 A 12 12 HIS N N 27 118.814 107.286 11.528 1 1 22 . 16 1 1 A 13 13 ASN H H 28 8.505 8.698 -0.193 1 1 25 . 16 1 1 A 13 13 ASN CA C 28 53.482 57.034 -3.552 1 1 26 . 16 1 1 A 13 13 ASN CB C 28 39.386 42.809 -3.423 1 1 27 . 16 1 1 A 13 13 ASN N N 28 119.523 124.438 -4.915 1 1 29 . 16 1 1 A 14 14 GLY H H 29 8.743 8.167 0.576 1 1 30 . 16 1 1 A 14 14 GLY CA C 29 45.534 59.397 -13.863 1 1 31 . 16 1 1 A 14 14 GLY N N 29 110.136 118.736 -8.600 1 1 32 . 16 1 1 A 15 15 LEU H H 30 8.466 8.146 0.320 1 1 33 . 16 1 1 A 15 15 LEU CA C 30 56.146 56.514 -0.368 1 1 34 . 16 1 1 A 15 15 LEU CB C 30 42.864 40.443 2.421 1 1 35 . 16 1 1 A 15 15 LEU N N 30 120.511 118.939 1.572 1 1 36 . 16 1 1 A 16 16 GLY H H 31 8.886 8.385 0.501 1 1 37 . 16 1 1 A 16 16 GLY CA C 31 47.064 46.914 0.150 1 1 38 . 16 1 1 A 16 16 GLY N N 31 108.073 109.526 -1.453 1 1 39 . 16 1 1 A 17 17 LYS H H 32 7.854 7.408 0.446 1 1 40 . 16 1 1 A 17 17 LYS CA C 32 55.661 58.400 -2.739 1 1 41 . 16 1 1 A 17 17 LYS CB C 32 29.379 32.682 -3.303 1 1 42 . 16 1 1 A 17 17 LYS N N 32 110.952 121.473 -10.521 1 1 43 . 16 1 1 A 18 18 GLY H H 33 8.095 7.673 0.422 1 1 44 . 16 1 1 A 18 18 GLY CA C 33 44.893 59.324 -14.431 1 1 45 . 16 1 1 A 18 18 GLY N N 33 103.957 118.574 -14.617 1 1 46 . 16 1 1 A 19 19 PHE H H 34 7.887 8.048 -0.161 1 1 47 . 16 1 1 A 19 19 PHE CA C 34 61.146 59.025 2.121 1 1 48 . 16 1 1 A 19 19 PHE CB C 34 38.963 29.175 9.788 1 1 49 . 16 1 1 A 19 19 PHE N N 34 117.883 118.657 -0.774 1 1 50 . 16 1 1 A 20 20 GLY H H 35 7.696 8.084 -0.388 1 1 51 . 16 1 1 A 20 20 GLY CA C 35 45.189 54.925 -9.736 1 1 52 . 16 1 1 A 20 20 GLY N N 35 102.668 121.308 -18.640 1 1 53 . 16 1 1 A 21 21 ASP H H 36 9.284 7.644 1.640 1 1 54 . 16 1 1 A 21 21 ASP CA C 36 56.026 55.043 0.983 1 1 55 . 16 1 1 A 21 21 ASP CB C 36 40.543 18.436 22.107 1 1 56 . 16 1 1 A 21 21 ASP N N 36 129.289 120.226 9.063 1 1 57 . 16 1 1 A 22 22 HIS H H 37 9.058 7.964 1.094 1 1 58 . 16 1 1 A 22 22 HIS CA C 37 56.628 54.868 1.760 1 1 59 . 16 1 1 A 22 22 HIS CB C 37 29.941 19.037 10.904 1 1 60 . 16 1 1 A 22 22 HIS N N 37 116.742 120.013 -3.271 1 1 61 . 16 1 1 A 23 23 ILE H H 38 6.449 7.837 -1.388 1 1 62 . 16 1 1 A 23 23 ILE CA C 38 59.183 59.272 -0.089 1 1 63 . 16 1 1 A 23 23 ILE CB C 38 39.408 63.498 -24.090 1 1 64 . 16 1 1 A 23 23 ILE N N 38 124.704 112.176 12.528 1 1 65 . 16 1 1 A 24 24 HIS H H 39 7.857 8.220 -0.363 1 1 66 . 16 1 1 A 24 24 HIS CA C 39 52.931 46.222 6.709 1 1 68 . 16 1 1 A 24 24 HIS N N 39 124.600 110.087 14.513 1 1 69 . 16 1 1 A 25 25 TRP H H 40 8.032 8.080 -0.048 1 1 71 . 16 1 1 A 25 25 TRP CA C 40 57.058 52.634 4.424 1 1 72 . 16 1 1 A 25 25 TRP CB C 40 30.411 42.045 -11.634 1 1 73 . 16 1 1 A 25 25 TRP N N 40 130.002 122.087 7.915 1 1 76 . 16 1 1 A 26 26 ARG CA C 41 54.500 62.844 -8.344 1 1 77 . 16 1 1 A 26 26 ARG CB C 41 35.055 32.595 2.460 1 1 78 . 16 1 1 A 26 26 ARG N N 41 122.005 140.099 -18.094 1 1 79 . 16 1 1 A 27 27 THR H H 42 8.562 8.293 0.269 1 1 80 . 16 1 1 A 27 27 THR CA C 42 61.294 53.693 7.601 1 1 81 . 16 1 1 A 27 27 THR CB C 42 70.325 44.250 26.075 1 1 82 . 16 1 1 A 27 27 THR N N 42 111.261 122.061 -10.800 1 1 83 . 16 1 1 A 28 28 LEU H H 43 8.994 8.609 0.385 1 1 84 . 16 1 1 A 28 28 LEU CA C 43 59.121 53.379 5.742 1 1 85 . 16 1 1 A 28 28 LEU CB C 43 41.515 34.783 6.732 1 1 86 . 16 1 1 A 28 28 LEU N N 43 121.976 125.652 -3.676 1 1 87 . 16 1 1 A 29 29 GLU H H 44 8.759 8.345 0.414 1 1 88 . 16 1 1 A 29 29 GLU CA C 44 59.928 60.215 -0.287 1 1 89 . 16 1 1 A 29 29 GLU CB C 44 29.342 35.789 -6.447 1 1 90 . 16 1 1 A 29 29 GLU N N 44 116.492 122.435 -5.943 1 1 91 . 16 1 1 A 30 30 ASP H H 45 7.692 8.601 -0.909 1 1 92 . 16 1 1 A 30 30 ASP CA C 45 57.131 61.002 -3.871 1 1 93 . 16 1 1 A 30 30 ASP CB C 45 40.093 39.954 0.139 1 1 94 . 16 1 1 A 30 30 ASP N N 45 119.105 125.697 -6.592 1 1 95 . 16 1 1 A 31 31 GLY H H 46 9.224 9.067 0.157 1 1 96 . 16 1 1 A 31 31 GLY CA C 46 47.426 60.446 -13.020 1 1 97 . 16 1 1 A 31 31 GLY N N 46 111.508 128.340 -16.832 1 1 98 . 16 1 1 A 32 32 LYS H H 47 8.691 8.636 0.055 1 1 99 . 16 1 1 A 32 32 LYS CA C 47 60.968 53.291 7.677 1 1 100 . 16 1 1 A 32 32 LYS CB C 47 32.534 29.599 2.935 1 1 101 . 16 1 1 A 32 32 LYS N N 47 121.519 120.692 0.827 1 1 102 . 16 1 1 A 33 33 LYS H H 48 7.234 7.915 -0.681 1 1 103 . 16 1 1 A 33 33 LYS CA C 48 59.734 55.102 4.632 1 1 104 . 16 1 1 A 33 33 LYS CB C 48 32.349 33.583 -1.234 1 1 105 . 16 1 1 A 33 33 LYS N N 48 119.937 124.295 -4.358 1 1 106 . 16 1 1 A 34 34 GLU H H 49 8.179 8.614 -0.435 1 1 107 . 16 1 1 A 34 34 GLU CA C 49 58.911 59.989 -1.078 1 1 108 . 16 1 1 A 34 34 GLU CB C 49 29.393 62.286 -32.893 1 1 109 . 16 1 1 A 34 34 GLU N N 49 121.748 116.400 5.348 1 1 110 . 16 1 1 A 35 35 ALA H H 50 9.142 8.656 0.486 1 1 111 . 16 1 1 A 35 35 ALA CA C 50 56.068 60.541 -4.473 1 1 112 . 16 1 1 A 35 35 ALA CB C 50 19.504 28.629 -9.125 1 1 113 . 16 1 1 A 35 35 ALA N N 50 125.093 126.031 -0.938 1 1 114 . 16 1 1 A 36 36 ALA H H 51 7.548 7.211 0.337 1 1 115 . 16 1 1 A 36 36 ALA CA C 51 54.765 59.652 -4.887 1 1 116 . 16 1 1 A 36 36 ALA CB C 51 18.095 26.131 -8.036 1 1 117 . 16 1 1 A 36 36 ALA N N 51 118.057 118.563 -0.506 1 1 118 . 16 1 1 A 37 37 ALA H H 52 7.517 8.933 -1.416 1 1 119 . 16 1 1 A 37 37 ALA CA C 52 54.200 46.288 7.912 1 1 121 . 16 1 1 A 37 37 ALA N N 52 118.541 114.017 4.524 1 1 122 . 16 1 1 A 38 38 SER H H 53 8.330 8.107 0.223 1 1 123 . 16 1 1 A 38 38 SER CA C 53 59.095 54.211 4.884 1 1 124 . 16 1 1 A 38 38 SER CB C 53 65.540 18.202 47.338 1 1 125 . 16 1 1 A 38 38 SER N N 53 110.905 123.303 -12.398 1 1 126 . 16 1 1 A 39 39 GLY H H 54 8.454 7.818 0.636 1 1 127 . 16 1 1 A 39 39 GLY CA C 54 46.559 60.234 -13.675 1 1 128 . 16 1 1 A 39 39 GLY N N 54 112.427 115.859 -3.432 1 1 129 . 16 1 1 A 40 40 LEU H H 55 7.580 8.051 -0.471 1 1 130 . 16 1 1 A 40 40 LEU CA C 55 51.891 59.165 -7.274 1 1 131 . 16 1 1 A 40 40 LEU CB C 55 43.061 32.333 10.728 1 1 132 . 16 1 1 A 40 40 LEU N N 55 121.312 119.296 2.016 1 1 133 . 16 1 1 A 41 41 PRO CA C 56 61.426 55.034 6.392 1 1 134 . 16 1 1 A 41 41 PRO CB C 56 32.878 18.088 14.790 1 1 135 . 16 1 1 A 42 42 LEU H H 57 8.447 8.182 0.265 1 1 136 . 16 1 1 A 42 42 LEU CA C 57 55.025 57.773 -2.748 1 1 137 . 16 1 1 A 42 42 LEU CB C 57 44.360 40.700 3.660 1 1 138 . 16 1 1 A 42 42 LEU N N 57 116.186 118.965 -2.779 1 1 139 . 16 1 1 A 43 43 MET H H 58 8.610 8.248 0.362 1 1 140 . 16 1 1 A 43 43 MET CA C 58 54.951 61.301 -6.350 1 1 141 . 16 1 1 A 43 43 MET CB C 58 34.319 31.289 3.030 1 1 142 . 16 1 1 A 43 43 MET N N 58 124.827 120.141 4.686 1 1 144 . 16 1 1 A 44 44 VAL CA C 59 60.237 65.154 -4.917 1 1 145 . 16 1 1 A 44 44 VAL CB C 59 34.052 31.116 2.936 1 1 146 . 16 1 1 A 44 44 VAL N N 59 125.176 132.660 -7.484 1 1 147 . 16 1 1 A 45 45 ILE H H 60 8.512 8.552 -0.040 1 1 148 . 16 1 1 A 45 45 ILE CA C 60 60.138 58.968 1.170 1 1 149 . 16 1 1 A 45 45 ILE CB C 60 40.622 32.801 7.821 1 1 150 . 16 1 1 A 45 45 ILE N N 60 125.614 116.360 9.254 1 1 151 . 16 1 1 A 46 46 ILE H H 61 9.528 8.776 0.752 1 1 152 . 16 1 1 A 46 46 ILE CA C 61 61.356 61.195 0.161 1 1 153 . 16 1 1 A 46 46 ILE CB C 61 39.017 39.505 -0.488 1 1 154 . 16 1 1 A 46 46 ILE N N 61 130.237 121.018 9.219 1 1 155 . 16 1 1 A 47 47 HIS H H 62 8.926 8.341 0.585 1 1 156 . 16 1 1 A 47 47 HIS CA C 62 54.153 54.840 -0.687 1 1 157 . 16 1 1 A 47 47 HIS CB C 62 35.638 18.338 17.300 1 1 158 . 16 1 1 A 47 47 HIS N N 62 121.634 120.953 0.681 1 1 159 . 16 1 1 A 48 48 LYS H H 63 7.798 8.260 -0.462 1 1 160 . 16 1 1 A 48 48 LYS CA C 63 52.412 58.535 -6.123 1 1 161 . 16 1 1 A 48 48 LYS CB C 63 33.666 29.628 4.038 1 1 162 . 16 1 1 A 48 48 LYS N N 63 116.188 119.409 -3.221 1 1 163 . 16 1 1 A 49 49 SER H H 64 10.807 8.808 1.999 1 1 164 . 16 1 1 A 49 49 SER CA C 64 60.779 60.242 0.537 1 1 165 . 16 1 1 A 49 49 SER CB C 64 62.612 61.944 0.668 1 1 166 . 16 1 1 A 49 49 SER N N 64 121.963 115.660 6.303 1 1 167 . 16 1 1 A 50 50 TRP H H 65 6.564 7.692 -1.128 1 1 169 . 16 1 1 A 50 50 TRP CA C 65 54.246 66.405 -12.159 1 1 170 . 16 1 1 A 50 50 TRP CB C 65 29.500 69.002 -39.502 1 1 171 . 16 1 1 A 50 50 TRP N N 65 115.717 116.539 -0.822 1 1 173 . 16 1 1 A 51 51 CYS H H 66 6.689 7.496 -0.807 1 1 174 . 16 1 1 A 51 51 CYS CA C 66 60.195 58.864 1.331 1 1 175 . 16 1 1 A 51 51 CYS CB C 66 30.909 29.087 1.822 1 1 176 . 16 1 1 A 51 51 CYS N N 66 125.894 119.157 6.737 1 1 177 . 16 1 1 A 52 52 GLY H H 67 9.301 7.893 1.408 1 1 178 . 16 1 1 A 52 52 GLY CA C 67 47.510 63.248 -15.738 1 1 179 . 16 1 1 A 52 52 GLY N N 67 119.542 121.802 -2.260 1 1 180 . 16 1 1 A 53 53 ALA H H 68 9.861 8.406 1.455 1 1 181 . 16 1 1 A 53 53 ALA CA C 68 55.404 61.136 -5.732 1 1 182 . 16 1 1 A 53 53 ALA CB C 68 18.521 63.088 -44.567 1 1 183 . 16 1 1 A 53 53 ALA N N 68 133.080 118.269 14.811 1 1 184 . 16 1 1 A 54 54 CYS H H 69 9.891 7.305 2.586 1 1 185 . 16 1 1 A 54 54 CYS CA C 69 64.497 58.875 5.622 1 1 186 . 16 1 1 A 54 54 CYS CB C 69 29.057 30.046 -0.989 1 1 187 . 16 1 1 A 54 54 CYS N N 69 127.404 122.575 4.829 1 1 188 . 16 1 1 A 55 55 LYS H H 70 8.059 8.144 -0.085 1 1 189 . 16 1 1 A 55 55 LYS CA C 70 59.840 57.536 2.304 1 1 190 . 16 1 1 A 55 55 LYS CB C 70 32.942 41.482 -8.540 1 1 191 . 16 1 1 A 55 55 LYS N N 70 118.141 120.702 -2.561 1 1 192 . 16 1 1 A 56 56 ALA H H 71 7.517 7.812 -0.295 1 1 193 . 16 1 1 A 56 56 ALA CA C 71 53.989 60.798 -6.809 1 1 194 . 16 1 1 A 56 56 ALA CB C 71 18.501 63.178 -44.677 1 1 195 . 16 1 1 A 56 56 ALA N N 71 118.540 115.560 2.980 1 1 196 . 16 1 1 A 57 57 LEU H H 72 7.351 8.535 -1.184 1 1 197 . 16 1 1 A 57 57 LEU CA C 72 56.998 58.051 -1.053 1 1 198 . 16 1 1 A 57 57 LEU CB C 72 42.256 28.374 13.882 1 1 199 . 16 1 1 A 57 57 LEU N N 72 117.293 118.454 -1.161 1 1 200 . 16 1 1 A 58 58 LYS H H 73 7.101 7.658 -0.557 1 1 201 . 16 1 1 A 58 58 LYS CA C 73 62.302 54.135 8.167 1 1 202 . 16 1 1 A 58 58 LYS CB C 73 30.098 39.812 -9.714 1 1 203 . 16 1 1 A 58 58 LYS N N 73 115.956 117.006 -1.050 1 1 204 . 16 1 1 A 59 59 PRO CA C 74 65.581 56.653 8.928 1 1 205 . 16 1 1 A 59 59 PRO CB C 74 30.726 40.655 -9.929 1 1 206 . 16 1 1 A 60 60 LYS H H 75 6.694 8.525 -1.831 1 1 207 . 16 1 1 A 60 60 LYS CA C 75 58.353 59.264 -0.911 1 1 208 . 16 1 1 A 60 60 LYS CB C 75 32.606 34.750 -2.144 1 1 209 . 16 1 1 A 60 60 LYS N N 75 115.897 120.114 -4.217 1 1 210 . 16 1 1 A 61 61 PHE H H 76 8.285 8.343 -0.058 1 1 211 . 16 1 1 A 61 61 PHE CA C 76 60.241 52.762 7.479 1 1 212 . 16 1 1 A 61 61 PHE CB C 76 41.785 36.583 5.202 1 1 213 . 16 1 1 A 61 61 PHE N N 76 120.489 126.955 -6.466 1 1 214 . 16 1 1 A 62 62 ALA H H 77 9.036 8.869 0.167 1 1 215 . 16 1 1 A 62 62 ALA CA C 77 55.215 60.742 -5.527 1 1 216 . 16 1 1 A 62 62 ALA CB C 77 19.141 35.758 -16.617 1 1 217 . 16 1 1 A 62 62 ALA N N 77 119.890 118.271 1.619 1 1 218 . 16 1 1 A 63 63 GLU H H 78 7.541 9.059 -1.518 1 1 219 . 16 1 1 A 63 63 GLU CA C 78 55.965 52.356 3.609 1 1 220 . 16 1 1 A 63 63 GLU CB C 78 29.630 40.587 -10.957 1 1 221 . 16 1 1 A 63 63 GLU N N 78 111.511 126.235 -14.724 1 1 222 . 16 1 1 A 64 64 SER H H 79 6.861 8.452 -1.591 1 1 223 . 16 1 1 A 64 64 SER CA C 79 57.323 54.108 3.215 1 1 224 . 16 1 1 A 64 64 SER CB C 79 63.306 44.463 18.843 1 1 225 . 16 1 1 A 64 64 SER N N 79 111.856 128.362 -16.506 1 1 226 . 16 1 1 A 65 65 THR H H 80 9.169 8.624 0.545 1 1 227 . 16 1 1 A 65 65 THR CA C 80 65.335 54.493 10.842 1 1 228 . 16 1 1 A 65 65 THR CB C 80 68.216 33.276 34.940 1 1 229 . 16 1 1 A 65 65 THR N N 80 129.658 126.027 3.631 1 1 230 . 16 1 1 A 66 66 GLU H H 81 8.354 8.688 -0.334 1 1 231 . 16 1 1 A 66 66 GLU CA C 81 60.236 57.644 2.592 1 1 232 . 16 1 1 A 66 66 GLU CB C 81 30.136 40.474 -10.338 1 1 233 . 16 1 1 A 66 66 GLU N N 81 123.573 127.000 -3.427 1 1 234 . 16 1 1 A 67 67 ILE H H 82 7.922 8.051 -0.129 1 1 235 . 16 1 1 A 67 67 ILE CA C 82 66.084 59.307 6.777 1 1 236 . 16 1 1 A 67 67 ILE CB C 82 37.806 29.609 8.197 1 1 237 . 16 1 1 A 67 67 ILE N N 82 119.503 118.635 0.868 1 1 238 . 16 1 1 A 68 68 SER H H 83 7.214 8.297 -1.083 1 1 239 . 16 1 1 A 68 68 SER CA C 83 63.512 55.356 8.156 1 1 240 . 16 1 1 A 68 68 SER CB C 83 62.330 30.451 31.879 1 1 241 . 16 1 1 A 68 68 SER N N 83 112.464 120.422 -7.958 1 1 242 . 16 1 1 A 69 69 GLU H H 84 8.224 8.560 -0.336 1 1 243 . 16 1 1 A 69 69 GLU CA C 84 59.597 53.025 6.572 1 1 244 . 16 1 1 A 69 69 GLU CB C 84 29.640 30.903 -1.263 1 1 245 . 16 1 1 A 69 69 GLU N N 84 120.267 127.293 -7.026 1 1 247 . 16 1 1 A 70 70 LEU CA C 85 57.423 64.136 -6.713 1 1 248 . 16 1 1 A 70 70 LEU CB C 85 42.942 31.937 11.005 1 1 249 . 16 1 1 A 70 70 LEU N N 85 119.797 141.192 -21.395 1 1 250 . 16 1 1 A 71 71 SER H H 86 8.580 7.919 0.661 1 1 251 . 16 1 1 A 71 71 SER CA C 86 62.310 57.041 5.269 1 1 252 . 16 1 1 A 71 71 SER CB C 86 62.306 29.471 32.835 1 1 253 . 16 1 1 A 71 71 SER N N 86 114.965 116.534 -1.569 1 1 254 . 16 1 1 A 72 72 HIS H H 87 7.189 8.188 -0.999 1 1 255 . 16 1 1 A 72 72 HIS CA C 87 57.593 53.152 4.441 1 1 256 . 16 1 1 A 72 72 HIS CB C 87 28.816 43.369 -14.553 1 1 257 . 16 1 1 A 72 72 HIS N N 87 119.159 118.871 0.288 1 1 258 . 16 1 1 A 73 73 ASN H H 88 8.148 9.080 -0.932 1 1 261 . 16 1 1 A 73 73 ASN CA C 88 52.994 58.426 -5.432 1 1 262 . 16 1 1 A 73 73 ASN CB C 88 38.894 29.065 9.829 1 1 263 . 16 1 1 A 73 73 ASN N N 88 116.602 123.953 -7.351 1 1 265 . 16 1 1 A 74 74 PHE H H 89 7.623 8.095 -0.472 1 1 266 . 16 1 1 A 74 74 PHE CA C 89 56.882 57.297 -0.415 1 1 267 . 16 1 1 A 74 74 PHE CB C 89 44.873 40.378 4.495 1 1 268 . 16 1 1 A 74 74 PHE N N 89 114.645 119.120 -4.475 1 1 269 . 16 1 1 A 75 75 VAL H H 90 8.952 7.483 1.469 1 1 270 . 16 1 1 A 75 75 VAL CA C 90 63.301 59.726 3.575 1 1 271 . 16 1 1 A 75 75 VAL CB C 90 31.213 38.076 -6.863 1 1 272 . 16 1 1 A 75 75 VAL N N 90 120.004 116.625 3.379 1 1 273 . 16 1 1 A 76 76 MET H H 91 7.486 7.940 -0.454 1 1 274 . 16 1 1 A 76 76 MET CA C 91 53.528 55.956 -2.428 1 1 275 . 16 1 1 A 76 76 MET CB C 91 30.717 63.205 -32.488 1 1 276 . 16 1 1 A 76 76 MET N N 91 129.189 115.323 13.866 1 1 278 . 16 1 1 A 77 77 VAL CA C 92 60.953 64.252 -3.299 1 1 279 . 16 1 1 A 77 77 VAL CB C 92 37.090 32.070 5.020 1 1 280 . 16 1 1 A 77 77 VAL N N 92 122.955 139.179 -16.224 1 1 281 . 16 1 1 A 78 78 ASN H H 93 10.248 7.340 2.908 1 1 283 . 16 1 1 A 78 78 ASN CA C 93 52.125 53.340 -1.215 1 1 284 . 16 1 1 A 78 78 ASN CB C 93 41.857 42.308 -0.451 1 1 285 . 16 1 1 A 78 78 ASN N N 93 126.507 116.855 9.652 1 1 287 . 16 1 1 A 79 79 LEU H H 94 9.104 7.591 1.513 1 1 288 . 16 1 1 A 79 79 LEU CA C 94 52.410 45.218 7.192 1 1 290 . 16 1 1 A 79 79 LEU N N 94 123.073 108.284 14.789 1 1 291 . 16 1 1 A 80 80 GLU H H 95 9.161 7.305 1.856 1 1 292 . 16 1 1 A 80 80 GLU CA C 95 53.391 44.965 8.426 1 1 294 . 16 1 1 A 80 80 GLU N N 95 125.765 104.220 21.545 1 1 295 . 16 1 1 A 81 81 ASP H H 96 8.107 6.886 1.221 1 1 296 . 16 1 1 A 81 81 ASP CA C 96 57.563 56.389 1.174 1 1 297 . 16 1 1 A 81 81 ASP CB C 96 38.605 40.246 -1.641 1 1 298 . 16 1 1 A 81 81 ASP N N 96 126.380 114.988 11.392 1 1 299 . 16 1 1 A 82 82 GLU H H 97 8.836 8.762 0.074 1 1 300 . 16 1 1 A 82 82 GLU CA C 97 58.555 57.146 1.409 1 1 301 . 16 1 1 A 82 82 GLU CB C 97 28.422 41.178 -12.756 1 1 302 . 16 1 1 A 82 82 GLU N N 97 123.966 115.555 8.411 1 1 304 . 16 1 1 A 83 83 GLU CA C 98 56.619 62.476 -5.857 1 1 305 . 16 1 1 A 83 83 GLU CB C 98 30.722 32.587 -1.865 1 1 306 . 16 1 1 A 83 83 GLU N N 98 118.069 140.773 -22.704 1 1 307 . 16 1 1 A 84 84 GLU H H 99 7.298 8.171 -0.873 1 1 308 . 16 1 1 A 84 84 GLU CA C 99 54.482 54.077 0.405 1 1 309 . 16 1 1 A 84 84 GLU CB C 99 29.535 33.664 -4.129 1 1 310 . 16 1 1 A 84 84 GLU N N 99 119.571 121.561 -1.990 1 1 311 . 16 1 1 A 85 85 PRO CA C 100 62.512 61.663 0.849 1 1 312 . 16 1 1 A 85 85 PRO CB C 100 32.805 38.462 -5.657 1 1 313 . 16 1 1 A 86 86 LYS H H 101 8.640 8.538 0.102 1 1 314 . 16 1 1 A 86 86 LYS CA C 101 55.615 53.891 1.724 1 1 315 . 16 1 1 A 86 86 LYS CB C 101 31.117 45.105 -13.988 1 1 316 . 16 1 1 A 86 86 LYS N N 101 122.999 121.758 1.241 1 1 317 . 16 1 1 A 87 87 ASP H H 102 7.395 8.394 -0.999 1 1 318 . 16 1 1 A 87 87 ASP CA C 102 54.233 58.275 -4.042 1 1 319 . 16 1 1 A 87 87 ASP CB C 102 42.084 40.469 1.615 1 1 320 . 16 1 1 A 87 87 ASP N N 102 119.006 122.879 -3.873 1 1 321 . 16 1 1 A 88 88 GLU H H 103 9.217 9.016 0.201 1 1 322 . 16 1 1 A 88 88 GLU CA C 103 58.996 53.742 5.254 1 1 323 . 16 1 1 A 88 88 GLU CB C 103 29.226 45.902 -16.676 1 1 324 . 16 1 1 A 88 88 GLU N N 103 127.412 124.341 3.071 1 1 325 . 16 1 1 A 89 89 ASP H H 104 9.043 8.890 0.153 1 1 326 . 16 1 1 A 89 89 ASP CA C 104 56.138 52.349 3.789 1 1 327 . 16 1 1 A 89 89 ASP CB C 104 39.487 41.337 -1.850 1 1 328 . 16 1 1 A 89 89 ASP N N 104 121.056 122.690 -1.634 1 1 330 . 16 1 1 A 90 90 PHE CA C 105 58.124 62.974 -4.850 1 1 331 . 16 1 1 A 90 90 PHE CB C 105 38.909 30.887 8.022 1 1 332 . 16 1 1 A 90 90 PHE N N 105 111.473 141.028 -29.555 1 1 333 . 16 1 1 A 91 91 SER H H 106 7.907 8.492 -0.585 1 1 334 . 16 1 1 A 91 91 SER CA C 106 55.565 58.097 -2.532 1 1 335 . 16 1 1 A 91 91 SER CB C 106 63.139 65.287 -2.148 1 1 336 . 16 1 1 A 91 91 SER N N 106 115.544 114.118 1.426 1 1 337 . 16 1 1 A 92 92 PRO CA C 107 65.329 45.250 20.079 1 1 339 . 16 1 1 A 93 93 ASP H H 108 9.095 7.548 1.547 1 1 340 . 16 1 1 A 93 93 ASP CA C 108 52.726 55.113 -2.387 1 1 341 . 16 1 1 A 93 93 ASP CB C 108 40.551 33.091 7.460 1 1 342 . 16 1 1 A 93 93 ASP N N 108 115.482 119.769 -4.287 1 1 343 . 16 1 1 A 94 94 GLY H H 109 6.947 8.451 -1.504 1 1 344 . 16 1 1 A 94 94 GLY CA C 109 44.385 63.111 -18.726 1 1 345 . 16 1 1 A 94 94 GLY N N 109 106.691 125.995 -19.304 1 1 346 . 16 1 1 A 95 95 GLY H H 110 8.423 8.445 -0.022 1 1 347 . 16 1 1 A 95 95 GLY CA C 110 45.873 52.817 -6.944 1 1 348 . 16 1 1 A 95 95 GLY N N 110 107.178 125.106 -17.928 1 1 350 . 16 1 1 A 96 96 TYR CA C 111 55.619 63.297 -7.678 1 1 351 . 16 1 1 A 96 96 TYR CB C 111 38.312 30.396 7.916 1 1 352 . 16 1 1 A 96 96 TYR N N 111 116.246 137.056 -20.810 1 1 353 . 16 1 1 A 97 97 ILE H H 112 7.878 9.254 -1.376 1 1 354 . 16 1 1 A 97 97 ILE CA C 112 58.650 58.507 0.143 1 1 355 . 16 1 1 A 97 97 ILE N N 112 113.713 120.488 -6.775 1 1 356 . 16 1 1 A 98 98 PRO CA C 113 62.337 60.819 1.518 1 1 357 . 16 1 1 A 98 98 PRO CB C 113 34.315 36.282 -1.967 1 1 358 . 16 1 1 A 99 99 ARG H H 114 8.514 8.197 0.317 1 1 359 . 16 1 1 A 99 99 ARG CA C 114 54.460 58.743 -4.283 1 1 360 . 16 1 1 A 99 99 ARG CB C 114 34.399 41.077 -6.678 1 1 361 . 16 1 1 A 99 99 ARG N N 114 117.550 122.215 -4.665 1 1 362 . 16 1 1 A 100 100 ILE H H 115 8.819 9.438 -0.619 1 1 363 . 16 1 1 A 100 100 ILE CA C 115 60.937 51.877 9.060 1 1 364 . 16 1 1 A 100 100 ILE CB C 115 39.021 36.632 2.389 1 1 365 . 16 1 1 A 100 100 ILE N N 115 122.056 122.229 -0.173 1 1 366 . 16 1 1 A 101 101 LEU H H 116 8.692 8.256 0.436 1 1 367 . 16 1 1 A 101 101 LEU CA C 116 52.377 59.366 -6.989 1 1 368 . 16 1 1 A 101 101 LEU CB C 116 46.493 29.382 17.111 1 1 369 . 16 1 1 A 101 101 LEU N N 116 127.243 125.111 2.132 1 1 370 . 16 1 1 A 102 102 PHE H H 117 9.004 7.968 1.036 1 1 371 . 16 1 1 A 102 102 PHE CA C 117 57.076 53.925 3.151 1 1 372 . 16 1 1 A 102 102 PHE CB C 117 42.048 39.089 2.959 1 1 373 . 16 1 1 A 102 102 PHE N N 117 116.784 116.282 0.502 1 1 374 . 16 1 1 A 103 103 LEU H H 118 9.303 8.930 0.373 1 1 375 . 16 1 1 A 103 103 LEU CA C 118 53.487 44.582 8.905 1 1 377 . 16 1 1 A 103 103 LEU N N 118 124.741 107.735 17.006 1 1 378 . 16 1 1 A 104 104 ASP H H 119 8.351 8.388 -0.037 1 1 379 . 16 1 1 A 104 104 ASP CA C 119 52.555 50.257 2.298 1 1 380 . 16 1 1 A 104 104 ASP CB C 119 39.406 41.650 -2.244 1 1 381 . 16 1 1 A 104 104 ASP N N 119 117.539 120.575 -3.036 1 1 382 . 16 1 1 A 105 105 PRO CA C 120 65.106 64.244 0.862 1 1 383 . 16 1 1 A 105 105 PRO CB C 120 31.459 32.033 -0.574 1 1 384 . 16 1 1 A 106 106 SER H H 121 8.229 8.461 -0.232 1 1 385 . 16 1 1 A 106 106 SER CA C 121 58.891 57.613 1.278 1 1 386 . 16 1 1 A 106 106 SER CB C 121 64.061 64.766 -0.705 1 1 387 . 16 1 1 A 106 106 SER N N 121 111.546 112.574 -1.028 1 1 388 . 16 1 1 A 107 107 GLY H H 122 8.970 8.091 0.879 1 1 389 . 16 1 1 A 107 107 GLY CA C 122 45.417 57.866 -12.449 1 1 390 . 16 1 1 A 107 107 GLY N N 122 111.616 121.503 -9.887 1 1 391 . 16 1 1 A 108 108 LYS H H 123 7.405 8.239 -0.834 1 1 392 . 16 1 1 A 108 108 LYS CA C 123 54.729 59.388 -4.659 1 1 393 . 16 1 1 A 108 108 LYS CB C 123 32.929 32.264 0.665 1 1 394 . 16 1 1 A 108 108 LYS N N 123 120.930 121.411 -0.481 1 1 395 . 16 1 1 A 109 109 VAL H H 124 8.875 8.287 0.588 1 1 396 . 16 1 1 A 109 109 VAL CA C 124 64.103 58.572 5.531 1 1 397 . 16 1 1 A 109 109 VAL CB C 124 32.249 38.528 -6.279 1 1 398 . 16 1 1 A 109 109 VAL N N 124 126.925 115.829 11.096 1 1 399 . 16 1 1 A 110 110 HIS H H 125 8.911 8.328 0.583 1 1 400 . 16 1 1 A 110 110 HIS CA C 125 54.469 57.978 -3.509 1 1 401 . 16 1 1 A 110 110 HIS CB C 125 28.893 41.414 -12.521 1 1 402 . 16 1 1 A 110 110 HIS N N 125 127.112 121.940 5.172 1 1 403 . 16 1 1 A 111 111 PRO CA C 126 63.311 56.360 6.951 1 1 404 . 16 1 1 A 111 111 PRO CB C 126 32.232 38.458 -6.226 1 1 405 . 16 1 1 A 112 112 GLU H H 127 10.959 9.057 1.902 1 1 406 . 16 1 1 A 112 112 GLU CA C 127 57.439 61.139 -3.700 1 1 407 . 16 1 1 A 112 112 GLU CB C 127 27.174 30.707 -3.533 1 1 408 . 16 1 1 A 112 112 GLU N N 127 123.144 126.116 -2.972 1 1 409 . 16 1 1 A 113 113 ILE H H 128 7.493 8.455 -0.962 1 1 410 . 16 1 1 A 113 113 ILE CA C 128 61.518 58.512 3.006 1 1 411 . 16 1 1 A 113 113 ILE CB C 128 35.365 66.434 -31.069 1 1 412 . 16 1 1 A 113 113 ILE N N 128 123.479 121.572 1.907 1 1 413 . 16 1 1 A 114 114 ILE H H 129 8.300 9.119 -0.819 1 1 414 . 16 1 1 A 114 114 ILE CA C 129 59.109 54.706 4.403 1 1 415 . 16 1 1 A 114 114 ILE CB C 129 42.309 18.721 23.588 1 1 416 . 16 1 1 A 114 114 ILE N N 129 123.439 128.977 -5.538 1 1 417 . 16 1 1 A 115 115 ASN H H 130 8.622 8.094 0.528 1 1 420 . 16 1 1 A 115 115 ASN CA C 130 51.381 59.607 -8.226 1 1 421 . 16 1 1 A 115 115 ASN CB C 130 35.215 29.693 5.522 1 1 422 . 16 1 1 A 115 115 ASN N N 130 114.712 119.064 -4.352 1 1 424 . 16 1 1 A 116 116 GLU H H 131 8.463 7.864 0.599 1 1 425 . 16 1 1 A 116 116 GLU CA C 131 58.882 58.959 -0.077 1 1 426 . 16 1 1 A 116 116 GLU CB C 131 29.606 28.518 1.088 1 1 427 . 16 1 1 A 116 116 GLU N N 131 127.900 119.076 8.824 1 1 428 . 16 1 1 A 117 117 ASN H H 132 7.545 7.856 -0.311 1 1 431 . 16 1 1 A 117 117 ASN CA C 132 52.960 65.514 -12.554 1 1 432 . 16 1 1 A 117 117 ASN CB C 132 39.777 31.444 8.333 1 1 433 . 16 1 1 A 117 117 ASN N N 132 113.958 115.780 -1.822 1 1 435 . 16 1 1 A 118 118 GLY H H 133 7.109 7.417 -0.308 1 1 436 . 16 1 1 A 118 118 GLY CA C 133 44.662 64.829 -20.167 1 1 437 . 16 1 1 A 118 118 GLY N N 133 107.288 122.116 -14.828 1 1 438 . 16 1 1 A 119 119 ASN H H 134 8.795 8.552 0.243 1 1 441 . 16 1 1 A 119 119 ASN CA C 134 50.277 58.299 -8.022 1 1 442 . 16 1 1 A 119 119 ASN CB C 134 40.102 28.127 11.975 1 1 443 . 16 1 1 A 119 119 ASN N N 134 122.889 119.761 3.128 1 1 445 . 16 1 1 A 120 120 PRO CA C 135 64.320 46.721 17.599 1 1 447 . 16 1 1 A 121 121 SER H H 136 8.260 7.725 0.535 1 1 448 . 16 1 1 A 121 121 SER CA C 136 60.199 58.504 1.695 1 1 449 . 16 1 1 A 121 121 SER CB C 136 63.228 33.203 30.025 1 1 450 . 16 1 1 A 121 121 SER N N 136 113.554 119.675 -6.121 1 1 451 . 16 1 1 A 122 122 TYR H H 137 7.580 8.381 -0.801 1 1 452 . 16 1 1 A 122 122 TYR CA C 137 54.584 58.365 -3.781 1 1 453 . 16 1 1 A 122 122 TYR CB C 137 38.872 31.583 7.289 1 1 454 . 16 1 1 A 122 122 TYR N N 137 119.864 117.832 2.032 1 1 455 . 16 1 1 A 123 123 LYS H H 138 9.556 7.724 1.832 1 1 456 . 16 1 1 A 123 123 LYS CA C 138 60.415 59.176 1.239 1 1 457 . 16 1 1 A 123 123 LYS CB C 138 31.945 29.898 2.047 1 1 458 . 16 1 1 A 123 123 LYS N N 138 123.955 119.907 4.048 1 1 459 . 16 1 1 A 124 124 TYR H H 139 8.486 7.567 0.919 1 1 460 . 16 1 1 A 124 124 TYR CA C 139 56.009 54.604 1.405 1 1 461 . 16 1 1 A 124 124 TYR CB C 139 37.666 17.990 19.676 1 1 462 . 16 1 1 A 124 124 TYR N N 139 113.738 121.073 -7.335 1 1 463 . 16 1 1 A 125 125 PHE H H 140 7.562 7.642 -0.080 1 1 464 . 16 1 1 A 125 125 PHE CA C 140 56.561 58.073 -1.512 1 1 465 . 16 1 1 A 125 125 PHE CB C 140 40.897 28.307 12.590 1 1 466 . 16 1 1 A 125 125 PHE N N 140 122.592 117.463 5.129 1 1 467 . 16 1 1 A 126 126 TYR H H 141 8.133 7.967 0.166 1 1 468 . 16 1 1 A 126 126 TYR CA C 141 57.326 58.660 -1.334 1 1 469 . 16 1 1 A 126 126 TYR CB C 141 41.768 29.894 11.874 1 1 470 . 16 1 1 A 126 126 TYR N N 141 129.225 119.948 9.277 1 1 471 . 16 1 1 A 127 127 VAL H H 142 8.081 7.773 0.308 1 1 472 . 16 1 1 A 127 127 VAL CA C 142 61.414 57.791 3.623 1 1 473 . 16 1 1 A 127 127 VAL CB C 142 34.245 31.398 2.847 1 1 474 . 16 1 1 A 127 127 VAL N N 142 112.892 118.680 -5.788 1 1 475 . 16 1 1 A 128 128 SER H H 143 7.362 8.104 -0.742 1 1 476 . 16 1 1 A 128 128 SER CA C 143 55.028 57.654 -2.626 1 1 477 . 16 1 1 A 128 128 SER CB C 143 67.261 41.566 25.695 1 1 478 . 16 1 1 A 128 128 SER N N 143 112.848 120.314 -7.466 1 1 479 . 16 1 1 A 129 129 ALA H H 144 9.331 7.121 2.210 1 1 480 . 16 1 1 A 129 129 ALA CA C 144 55.568 63.084 -7.516 1 1 481 . 16 1 1 A 129 129 ALA CB C 144 18.005 68.517 -50.512 1 1 482 . 16 1 1 A 129 129 ALA N N 144 124.250 108.136 16.114 1 1 483 . 16 1 1 A 130 130 GLU H H 145 9.152 8.960 0.192 1 1 484 . 16 1 1 A 130 130 GLU CA C 145 60.626 45.387 15.239 1 1 486 . 16 1 1 A 130 130 GLU N N 145 116.980 114.369 2.611 1 1 487 . 16 1 1 A 131 131 GLN H H 146 7.621 8.217 -0.596 1 1 490 . 16 1 1 A 131 131 GLN CA C 146 58.552 55.724 2.828 1 1 491 . 16 1 1 A 131 131 GLN CB C 146 29.038 39.364 -10.326 1 1 492 . 16 1 1 A 131 131 GLN N N 146 117.565 113.812 3.753 1 1 494 . 16 1 1 A 132 132 VAL H H 147 7.780 7.567 0.213 1 1 495 . 16 1 1 A 132 132 VAL CA C 147 66.928 54.798 12.130 1 1 496 . 16 1 1 A 132 132 VAL CB C 147 31.324 18.414 12.910 1 1 497 . 16 1 1 A 132 132 VAL N N 147 121.486 119.652 1.834 1 1 498 . 16 1 1 A 133 133 VAL H H 148 8.609 8.076 0.533 1 1 499 . 16 1 1 A 133 133 VAL CA C 148 67.053 60.766 6.287 1 1 500 . 16 1 1 A 133 133 VAL CB C 148 31.927 37.541 -5.614 1 1 501 . 16 1 1 A 133 133 VAL N N 148 119.560 114.264 5.296 1 1 502 . 16 1 1 A 134 134 GLN H H 149 7.365 6.868 0.497 1 1 505 . 16 1 1 A 134 134 GLN CA C 149 59.382 55.662 3.720 1 1 506 . 16 1 1 A 134 134 GLN CB C 149 27.860 30.969 -3.109 1 1 507 . 16 1 1 A 134 134 GLN N N 149 117.080 120.769 -3.689 1 1 509 . 16 1 1 A 135 135 GLY H H 150 8.085 8.392 -0.307 1 1 510 . 16 1 1 A 135 135 GLY CA C 150 47.499 55.265 -7.766 1 1 511 . 16 1 1 A 135 135 GLY N N 150 107.849 117.935 -10.086 1 1 512 . 16 1 1 A 136 136 MET H H 151 8.593 8.738 -0.145 1 1 513 . 16 1 1 A 136 136 MET CA C 151 59.730 55.174 4.556 1 1 514 . 16 1 1 A 136 136 MET CB C 151 35.435 34.618 0.817 1 1 515 . 16 1 1 A 136 136 MET N N 151 119.390 124.719 -5.329 1 1 516 . 16 1 1 A 137 137 LYS H H 152 8.591 8.664 -0.073 1 1 517 . 16 1 1 A 137 137 LYS CA C 152 60.659 59.476 1.183 1 1 518 . 16 1 1 A 137 137 LYS CB C 152 32.617 28.126 4.491 1 1 519 . 16 1 1 A 137 137 LYS N N 152 119.226 120.941 -1.715 1 1 520 . 16 1 1 A 138 138 GLU H H 153 7.870 8.487 -0.617 1 1 521 . 16 1 1 A 138 138 GLU CA C 153 59.134 55.994 3.140 1 1 522 . 16 1 1 A 138 138 GLU CB C 153 28.879 44.768 -15.889 1 1 523 . 16 1 1 A 138 138 GLU N N 153 120.709 117.103 3.606 1 1 524 . 16 1 1 A 139 139 ALA H H 154 8.493 7.993 0.500 1 1 525 . 16 1 1 A 139 139 ALA CA C 154 55.450 55.325 0.125 1 1 526 . 16 1 1 A 139 139 ALA CB C 154 18.695 30.397 -11.702 1 1 527 . 16 1 1 A 139 139 ALA N N 154 120.598 116.537 4.061 1 1 528 . 16 1 1 A 140 140 GLN H H 155 8.582 7.744 0.838 1 1 531 . 16 1 1 A 140 140 GLN CA C 155 59.239 54.860 4.379 1 1 532 . 16 1 1 A 140 140 GLN CB C 155 28.027 39.416 -11.389 1 1 533 . 16 1 1 A 140 140 GLN N N 155 116.438 120.345 -3.907 1 1 535 . 16 1 1 A 141 141 GLU H H 156 7.563 8.137 -0.574 1 1 536 . 16 1 1 A 141 141 GLU CA C 156 58.896 54.213 4.683 1 1 537 . 16 1 1 A 141 141 GLU CB C 156 29.885 33.428 -3.543 1 1 538 . 16 1 1 A 141 141 GLU N N 156 118.759 122.523 -3.764 1 1 1 . 17 1 1 A 7 7 HIS CA C 22 56.307 53.865 2.442 1 1 2 . 17 1 1 A 7 7 HIS CB C 22 30.341 30.959 -0.618 1 1 3 . 17 1 1 A 8 8 MET H H 23 8.449 8.242 0.207 1 1 4 . 17 1 1 A 8 8 MET CA C 23 55.742 62.006 -6.264 1 1 5 . 17 1 1 A 8 8 MET CB C 23 32.842 39.819 -6.977 1 1 6 . 17 1 1 A 8 8 MET N N 23 122.176 123.108 -0.932 1 1 7 . 17 1 1 A 9 9 SER H H 24 8.428 7.096 1.332 1 1 8 . 17 1 1 A 9 9 SER CA C 24 58.412 54.183 4.229 1 1 9 . 17 1 1 A 9 9 SER CB C 24 63.900 27.500 36.400 1 1 10 . 17 1 1 A 9 9 SER N N 24 116.789 117.105 -0.316 1 1 11 . 17 1 1 A 10 10 ASP H H 25 8.382 7.130 1.252 1 1 12 . 17 1 1 A 10 10 ASP CA C 25 54.487 56.471 -1.984 1 1 13 . 17 1 1 A 10 10 ASP CB C 25 41.285 30.675 10.610 1 1 14 . 17 1 1 A 10 10 ASP N N 25 122.384 117.668 4.716 1 1 15 . 17 1 1 A 11 11 GLY H H 26 8.363 7.579 0.784 1 1 16 . 17 1 1 A 11 11 GLY CA C 26 45.546 58.178 -12.632 1 1 17 . 17 1 1 A 11 11 GLY N N 26 108.671 120.568 -11.897 1 1 18 . 17 1 1 A 12 12 HIS H H 27 8.350 7.483 0.867 1 1 19 . 17 1 1 A 12 12 HIS CA C 27 56.103 63.309 -7.206 1 1 20 . 17 1 1 A 12 12 HIS CB C 27 29.813 67.763 -37.950 1 1 21 . 17 1 1 A 12 12 HIS N N 27 118.814 112.145 6.669 1 1 22 . 17 1 1 A 13 13 ASN H H 28 8.505 8.821 -0.316 1 1 25 . 17 1 1 A 13 13 ASN CA C 28 53.482 57.563 -4.081 1 1 26 . 17 1 1 A 13 13 ASN CB C 28 39.386 41.465 -2.079 1 1 27 . 17 1 1 A 13 13 ASN N N 28 119.523 124.629 -5.106 1 1 29 . 17 1 1 A 14 14 GLY H H 29 8.743 8.310 0.433 1 1 30 . 17 1 1 A 14 14 GLY CA C 29 45.534 59.675 -14.141 1 1 31 . 17 1 1 A 14 14 GLY N N 29 110.136 120.627 -10.491 1 1 32 . 17 1 1 A 15 15 LEU H H 30 8.466 8.125 0.341 1 1 33 . 17 1 1 A 15 15 LEU CA C 30 56.146 56.816 -0.670 1 1 34 . 17 1 1 A 15 15 LEU CB C 30 42.864 40.432 2.432 1 1 35 . 17 1 1 A 15 15 LEU N N 30 120.511 119.311 1.200 1 1 36 . 17 1 1 A 16 16 GLY H H 31 8.886 8.631 0.255 1 1 37 . 17 1 1 A 16 16 GLY CA C 31 47.064 47.056 0.008 1 1 38 . 17 1 1 A 16 16 GLY N N 31 108.073 109.038 -0.965 1 1 39 . 17 1 1 A 17 17 LYS H H 32 7.854 8.291 -0.437 1 1 40 . 17 1 1 A 17 17 LYS CA C 32 55.661 58.782 -3.121 1 1 41 . 17 1 1 A 17 17 LYS CB C 32 29.379 32.337 -2.958 1 1 42 . 17 1 1 A 17 17 LYS N N 32 110.952 121.723 -10.771 1 1 43 . 17 1 1 A 18 18 GLY H H 33 8.095 7.625 0.470 1 1 44 . 17 1 1 A 18 18 GLY CA C 33 44.893 59.222 -14.329 1 1 45 . 17 1 1 A 18 18 GLY N N 33 103.957 118.960 -15.003 1 1 46 . 17 1 1 A 19 19 PHE H H 34 7.887 7.636 0.251 1 1 47 . 17 1 1 A 19 19 PHE CA C 34 61.146 58.776 2.370 1 1 48 . 17 1 1 A 19 19 PHE CB C 34 38.963 29.574 9.389 1 1 49 . 17 1 1 A 19 19 PHE N N 34 117.883 118.741 -0.858 1 1 50 . 17 1 1 A 20 20 GLY H H 35 7.696 8.316 -0.620 1 1 51 . 17 1 1 A 20 20 GLY CA C 35 45.189 54.822 -9.633 1 1 52 . 17 1 1 A 20 20 GLY N N 35 102.668 121.505 -18.837 1 1 53 . 17 1 1 A 21 21 ASP H H 36 9.284 7.613 1.671 1 1 54 . 17 1 1 A 21 21 ASP CA C 36 56.026 54.968 1.058 1 1 55 . 17 1 1 A 21 21 ASP CB C 36 40.543 18.349 22.194 1 1 56 . 17 1 1 A 21 21 ASP N N 36 129.289 119.897 9.392 1 1 57 . 17 1 1 A 22 22 HIS H H 37 9.058 8.261 0.797 1 1 58 . 17 1 1 A 22 22 HIS CA C 37 56.628 55.235 1.393 1 1 59 . 17 1 1 A 22 22 HIS CB C 37 29.941 18.622 11.319 1 1 60 . 17 1 1 A 22 22 HIS N N 37 116.742 120.827 -4.085 1 1 61 . 17 1 1 A 23 23 ILE H H 38 6.449 7.376 -0.927 1 1 62 . 17 1 1 A 23 23 ILE CA C 38 59.183 59.029 0.154 1 1 63 . 17 1 1 A 23 23 ILE CB C 38 39.408 63.627 -24.219 1 1 64 . 17 1 1 A 23 23 ILE N N 38 124.704 112.205 12.499 1 1 65 . 17 1 1 A 24 24 HIS H H 39 7.857 8.131 -0.274 1 1 66 . 17 1 1 A 24 24 HIS CA C 39 52.931 45.780 7.151 1 1 68 . 17 1 1 A 24 24 HIS N N 39 124.600 110.208 14.392 1 1 69 . 17 1 1 A 25 25 TRP H H 40 8.032 7.704 0.328 1 1 71 . 17 1 1 A 25 25 TRP CA C 40 57.058 53.136 3.922 1 1 72 . 17 1 1 A 25 25 TRP CB C 40 30.411 42.207 -11.796 1 1 73 . 17 1 1 A 25 25 TRP N N 40 130.002 119.216 10.786 1 1 76 . 17 1 1 A 26 26 ARG CA C 41 54.500 62.171 -7.671 1 1 77 . 17 1 1 A 26 26 ARG CB C 41 35.055 32.603 2.452 1 1 78 . 17 1 1 A 26 26 ARG N N 41 122.005 136.262 -14.257 1 1 79 . 17 1 1 A 27 27 THR H H 42 8.562 7.972 0.590 1 1 80 . 17 1 1 A 27 27 THR CA C 42 61.294 53.001 8.293 1 1 81 . 17 1 1 A 27 27 THR CB C 42 70.325 45.359 24.966 1 1 82 . 17 1 1 A 27 27 THR N N 42 111.261 121.541 -10.280 1 1 83 . 17 1 1 A 28 28 LEU H H 43 8.994 8.634 0.360 1 1 84 . 17 1 1 A 28 28 LEU CA C 43 59.121 53.701 5.420 1 1 85 . 17 1 1 A 28 28 LEU CB C 43 41.515 35.323 6.192 1 1 86 . 17 1 1 A 28 28 LEU N N 43 121.976 125.051 -3.075 1 1 87 . 17 1 1 A 29 29 GLU H H 44 8.759 8.788 -0.029 1 1 88 . 17 1 1 A 29 29 GLU CA C 44 59.928 61.032 -1.104 1 1 89 . 17 1 1 A 29 29 GLU CB C 44 29.342 35.231 -5.889 1 1 90 . 17 1 1 A 29 29 GLU N N 44 116.492 121.006 -4.514 1 1 91 . 17 1 1 A 30 30 ASP H H 45 7.692 9.404 -1.712 1 1 92 . 17 1 1 A 30 30 ASP CA C 45 57.131 60.263 -3.132 1 1 93 . 17 1 1 A 30 30 ASP CB C 45 40.093 39.649 0.444 1 1 94 . 17 1 1 A 30 30 ASP N N 45 119.105 127.319 -8.214 1 1 95 . 17 1 1 A 31 31 GLY H H 46 9.224 8.951 0.273 1 1 96 . 17 1 1 A 31 31 GLY CA C 46 47.426 59.993 -12.567 1 1 97 . 17 1 1 A 31 31 GLY N N 46 111.508 128.018 -16.510 1 1 98 . 17 1 1 A 32 32 LYS H H 47 8.691 9.313 -0.622 1 1 99 . 17 1 1 A 32 32 LYS CA C 47 60.968 54.558 6.410 1 1 100 . 17 1 1 A 32 32 LYS CB C 47 32.534 31.897 0.637 1 1 101 . 17 1 1 A 32 32 LYS N N 47 121.519 124.121 -2.602 1 1 102 . 17 1 1 A 33 33 LYS H H 48 7.234 8.343 -1.109 1 1 103 . 17 1 1 A 33 33 LYS CA C 48 59.734 54.632 5.102 1 1 104 . 17 1 1 A 33 33 LYS CB C 48 32.349 35.654 -3.305 1 1 105 . 17 1 1 A 33 33 LYS N N 48 119.937 123.206 -3.269 1 1 106 . 17 1 1 A 34 34 GLU H H 49 8.179 8.592 -0.413 1 1 107 . 17 1 1 A 34 34 GLU CA C 49 58.911 60.593 -1.682 1 1 108 . 17 1 1 A 34 34 GLU CB C 49 29.393 61.751 -32.358 1 1 109 . 17 1 1 A 34 34 GLU N N 49 121.748 112.689 9.059 1 1 110 . 17 1 1 A 35 35 ALA H H 50 9.142 7.980 1.162 1 1 111 . 17 1 1 A 35 35 ALA CA C 50 56.068 56.925 -0.857 1 1 112 . 17 1 1 A 35 35 ALA CB C 50 19.504 28.723 -9.219 1 1 113 . 17 1 1 A 35 35 ALA N N 50 125.093 123.037 2.056 1 1 114 . 17 1 1 A 36 36 ALA H H 51 7.548 9.271 -1.723 1 1 115 . 17 1 1 A 36 36 ALA CA C 51 54.765 58.328 -3.563 1 1 116 . 17 1 1 A 36 36 ALA CB C 51 18.095 28.944 -10.849 1 1 117 . 17 1 1 A 36 36 ALA N N 51 118.057 121.975 -3.918 1 1 118 . 17 1 1 A 37 37 ALA H H 52 7.517 8.748 -1.231 1 1 119 . 17 1 1 A 37 37 ALA CA C 52 54.200 46.434 7.766 1 1 121 . 17 1 1 A 37 37 ALA N N 52 118.541 115.566 2.975 1 1 122 . 17 1 1 A 38 38 SER H H 53 8.330 7.979 0.351 1 1 123 . 17 1 1 A 38 38 SER CA C 53 59.095 53.985 5.110 1 1 124 . 17 1 1 A 38 38 SER CB C 53 65.540 17.907 47.633 1 1 125 . 17 1 1 A 38 38 SER N N 53 110.905 124.182 -13.277 1 1 126 . 17 1 1 A 39 39 GLY H H 54 8.454 7.389 1.065 1 1 127 . 17 1 1 A 39 39 GLY CA C 54 46.559 60.067 -13.508 1 1 128 . 17 1 1 A 39 39 GLY N N 54 112.427 115.828 -3.401 1 1 129 . 17 1 1 A 40 40 LEU H H 55 7.580 8.071 -0.491 1 1 130 . 17 1 1 A 40 40 LEU CA C 55 51.891 59.097 -7.206 1 1 131 . 17 1 1 A 40 40 LEU CB C 55 43.061 32.273 10.788 1 1 132 . 17 1 1 A 40 40 LEU N N 55 121.312 121.499 -0.187 1 1 133 . 17 1 1 A 41 41 PRO CA C 56 61.426 54.356 7.070 1 1 134 . 17 1 1 A 41 41 PRO CB C 56 32.878 18.277 14.601 1 1 135 . 17 1 1 A 42 42 LEU H H 57 8.447 7.863 0.584 1 1 136 . 17 1 1 A 42 42 LEU CA C 57 55.025 57.449 -2.424 1 1 137 . 17 1 1 A 42 42 LEU CB C 57 44.360 40.327 4.033 1 1 138 . 17 1 1 A 42 42 LEU N N 57 116.186 118.422 -2.236 1 1 139 . 17 1 1 A 43 43 MET H H 58 8.610 7.706 0.904 1 1 140 . 17 1 1 A 43 43 MET CA C 58 54.951 61.496 -6.545 1 1 141 . 17 1 1 A 43 43 MET CB C 58 34.319 30.880 3.439 1 1 142 . 17 1 1 A 43 43 MET N N 58 124.827 119.724 5.103 1 1 144 . 17 1 1 A 44 44 VAL CA C 59 60.237 64.915 -4.678 1 1 145 . 17 1 1 A 44 44 VAL CB C 59 34.052 31.517 2.535 1 1 146 . 17 1 1 A 44 44 VAL N N 59 125.176 132.783 -7.607 1 1 147 . 17 1 1 A 45 45 ILE H H 60 8.512 8.536 -0.024 1 1 148 . 17 1 1 A 45 45 ILE CA C 60 60.138 58.912 1.226 1 1 149 . 17 1 1 A 45 45 ILE CB C 60 40.622 32.596 8.026 1 1 150 . 17 1 1 A 45 45 ILE N N 60 125.614 116.586 9.028 1 1 151 . 17 1 1 A 46 46 ILE H H 61 9.528 8.784 0.744 1 1 152 . 17 1 1 A 46 46 ILE CA C 61 61.356 61.500 -0.144 1 1 153 . 17 1 1 A 46 46 ILE CB C 61 39.017 39.514 -0.497 1 1 154 . 17 1 1 A 46 46 ILE N N 61 130.237 121.080 9.157 1 1 155 . 17 1 1 A 47 47 HIS H H 62 8.926 8.431 0.495 1 1 156 . 17 1 1 A 47 47 HIS CA C 62 54.153 54.916 -0.763 1 1 157 . 17 1 1 A 47 47 HIS CB C 62 35.638 18.380 17.258 1 1 158 . 17 1 1 A 47 47 HIS N N 62 121.634 121.321 0.313 1 1 159 . 17 1 1 A 48 48 LYS H H 63 7.798 8.516 -0.718 1 1 160 . 17 1 1 A 48 48 LYS CA C 63 52.412 58.619 -6.207 1 1 161 . 17 1 1 A 48 48 LYS CB C 63 33.666 29.596 4.070 1 1 162 . 17 1 1 A 48 48 LYS N N 63 116.188 119.475 -3.287 1 1 163 . 17 1 1 A 49 49 SER H H 64 10.807 8.957 1.850 1 1 164 . 17 1 1 A 49 49 SER CA C 64 60.779 60.377 0.402 1 1 165 . 17 1 1 A 49 49 SER CB C 64 62.612 62.295 0.317 1 1 166 . 17 1 1 A 49 49 SER N N 64 121.963 115.769 6.194 1 1 167 . 17 1 1 A 50 50 TRP H H 65 6.564 7.783 -1.219 1 1 169 . 17 1 1 A 50 50 TRP CA C 65 54.246 66.481 -12.235 1 1 170 . 17 1 1 A 50 50 TRP CB C 65 29.500 69.019 -39.519 1 1 171 . 17 1 1 A 50 50 TRP N N 65 115.717 116.577 -0.860 1 1 173 . 17 1 1 A 51 51 CYS H H 66 6.689 7.484 -0.795 1 1 174 . 17 1 1 A 51 51 CYS CA C 66 60.195 58.847 1.348 1 1 175 . 17 1 1 A 51 51 CYS CB C 66 30.909 29.116 1.793 1 1 176 . 17 1 1 A 51 51 CYS N N 66 125.894 119.277 6.617 1 1 177 . 17 1 1 A 52 52 GLY H H 67 9.301 7.871 1.430 1 1 178 . 17 1 1 A 52 52 GLY CA C 67 47.510 63.379 -15.869 1 1 179 . 17 1 1 A 52 52 GLY N N 67 119.542 121.609 -2.067 1 1 180 . 17 1 1 A 53 53 ALA H H 68 9.861 8.293 1.568 1 1 181 . 17 1 1 A 53 53 ALA CA C 68 55.404 61.139 -5.735 1 1 182 . 17 1 1 A 53 53 ALA CB C 68 18.521 63.179 -44.658 1 1 183 . 17 1 1 A 53 53 ALA N N 68 133.080 117.153 15.927 1 1 184 . 17 1 1 A 54 54 CYS H H 69 9.891 7.531 2.360 1 1 185 . 17 1 1 A 54 54 CYS CA C 69 64.497 57.163 7.334 1 1 186 . 17 1 1 A 54 54 CYS CB C 69 29.057 30.216 -1.159 1 1 187 . 17 1 1 A 54 54 CYS N N 69 127.404 119.443 7.961 1 1 188 . 17 1 1 A 55 55 LYS H H 70 8.059 8.108 -0.049 1 1 189 . 17 1 1 A 55 55 LYS CA C 70 59.840 57.900 1.940 1 1 190 . 17 1 1 A 55 55 LYS CB C 70 32.942 41.817 -8.875 1 1 191 . 17 1 1 A 55 55 LYS N N 70 118.141 122.118 -3.977 1 1 192 . 17 1 1 A 56 56 ALA H H 71 7.517 8.179 -0.662 1 1 193 . 17 1 1 A 56 56 ALA CA C 71 53.989 61.439 -7.450 1 1 194 . 17 1 1 A 56 56 ALA CB C 71 18.501 62.649 -44.148 1 1 195 . 17 1 1 A 56 56 ALA N N 71 118.540 113.474 5.066 1 1 196 . 17 1 1 A 57 57 LEU H H 72 7.351 7.599 -0.248 1 1 197 . 17 1 1 A 57 57 LEU CA C 72 56.998 58.392 -1.394 1 1 198 . 17 1 1 A 57 57 LEU CB C 72 42.256 29.346 12.910 1 1 199 . 17 1 1 A 57 57 LEU N N 72 117.293 118.429 -1.136 1 1 200 . 17 1 1 A 58 58 LYS H H 73 7.101 8.029 -0.928 1 1 201 . 17 1 1 A 58 58 LYS CA C 73 62.302 54.354 7.948 1 1 202 . 17 1 1 A 58 58 LYS CB C 73 30.098 37.934 -7.836 1 1 203 . 17 1 1 A 58 58 LYS N N 73 115.956 114.626 1.330 1 1 204 . 17 1 1 A 59 59 PRO CA C 74 65.581 56.645 8.936 1 1 205 . 17 1 1 A 59 59 PRO CB C 74 30.726 40.671 -9.945 1 1 206 . 17 1 1 A 60 60 LYS H H 75 6.694 8.538 -1.844 1 1 207 . 17 1 1 A 60 60 LYS CA C 75 58.353 59.874 -1.521 1 1 208 . 17 1 1 A 60 60 LYS CB C 75 32.606 35.921 -3.315 1 1 209 . 17 1 1 A 60 60 LYS N N 75 115.897 119.753 -3.856 1 1 210 . 17 1 1 A 61 61 PHE H H 76 8.285 8.241 0.044 1 1 211 . 17 1 1 A 61 61 PHE CA C 76 60.241 53.691 6.550 1 1 212 . 17 1 1 A 61 61 PHE CB C 76 41.785 36.818 4.967 1 1 213 . 17 1 1 A 61 61 PHE N N 76 120.489 125.311 -4.822 1 1 214 . 17 1 1 A 62 62 ALA H H 77 9.036 8.878 0.158 1 1 215 . 17 1 1 A 62 62 ALA CA C 77 55.215 61.628 -6.413 1 1 216 . 17 1 1 A 62 62 ALA CB C 77 19.141 34.584 -15.443 1 1 217 . 17 1 1 A 62 62 ALA N N 77 119.890 119.644 0.246 1 1 218 . 17 1 1 A 63 63 GLU H H 78 7.541 9.251 -1.710 1 1 219 . 17 1 1 A 63 63 GLU CA C 78 55.965 52.168 3.797 1 1 220 . 17 1 1 A 63 63 GLU CB C 78 29.630 41.284 -11.654 1 1 221 . 17 1 1 A 63 63 GLU N N 78 111.511 127.562 -16.051 1 1 222 . 17 1 1 A 64 64 SER H H 79 6.861 9.038 -2.177 1 1 223 . 17 1 1 A 64 64 SER CA C 79 57.323 52.646 4.677 1 1 224 . 17 1 1 A 64 64 SER CB C 79 63.306 46.227 17.079 1 1 225 . 17 1 1 A 64 64 SER N N 79 111.856 121.151 -9.295 1 1 226 . 17 1 1 A 65 65 THR H H 80 9.169 8.471 0.698 1 1 227 . 17 1 1 A 65 65 THR CA C 80 65.335 54.513 10.822 1 1 228 . 17 1 1 A 65 65 THR CB C 80 68.216 33.207 35.009 1 1 229 . 17 1 1 A 65 65 THR N N 80 129.658 117.913 11.745 1 1 230 . 17 1 1 A 66 66 GLU H H 81 8.354 9.078 -0.724 1 1 231 . 17 1 1 A 66 66 GLU CA C 81 60.236 56.645 3.591 1 1 232 . 17 1 1 A 66 66 GLU CB C 81 30.136 39.850 -9.714 1 1 233 . 17 1 1 A 66 66 GLU N N 81 123.573 120.870 2.703 1 1 234 . 17 1 1 A 67 67 ILE H H 82 7.922 8.577 -0.655 1 1 235 . 17 1 1 A 67 67 ILE CA C 82 66.084 59.724 6.360 1 1 236 . 17 1 1 A 67 67 ILE CB C 82 37.806 29.112 8.694 1 1 237 . 17 1 1 A 67 67 ILE N N 82 119.503 120.387 -0.884 1 1 238 . 17 1 1 A 68 68 SER H H 83 7.214 7.997 -0.783 1 1 239 . 17 1 1 A 68 68 SER CA C 83 63.512 58.112 5.400 1 1 240 . 17 1 1 A 68 68 SER CB C 83 62.330 30.277 32.053 1 1 241 . 17 1 1 A 68 68 SER N N 83 112.464 116.331 -3.867 1 1 242 . 17 1 1 A 69 69 GLU H H 84 8.224 7.930 0.294 1 1 243 . 17 1 1 A 69 69 GLU CA C 84 59.597 57.233 2.364 1 1 244 . 17 1 1 A 69 69 GLU CB C 84 29.640 28.197 1.443 1 1 245 . 17 1 1 A 69 69 GLU N N 84 120.267 118.944 1.323 1 1 247 . 17 1 1 A 70 70 LEU CA C 85 57.423 64.999 -7.576 1 1 248 . 17 1 1 A 70 70 LEU CB C 85 42.942 32.146 10.796 1 1 249 . 17 1 1 A 70 70 LEU N N 85 119.797 139.425 -19.628 1 1 250 . 17 1 1 A 71 71 SER H H 86 8.580 8.183 0.397 1 1 251 . 17 1 1 A 71 71 SER CA C 86 62.310 57.784 4.526 1 1 252 . 17 1 1 A 71 71 SER CB C 86 62.306 29.212 33.094 1 1 253 . 17 1 1 A 71 71 SER N N 86 114.965 116.488 -1.523 1 1 254 . 17 1 1 A 72 72 HIS H H 87 7.189 7.707 -0.518 1 1 255 . 17 1 1 A 72 72 HIS CA C 87 57.593 52.688 4.905 1 1 256 . 17 1 1 A 72 72 HIS CB C 87 28.816 42.992 -14.176 1 1 257 . 17 1 1 A 72 72 HIS N N 87 119.159 118.722 0.437 1 1 258 . 17 1 1 A 73 73 ASN H H 88 8.148 8.919 -0.771 1 1 261 . 17 1 1 A 73 73 ASN CA C 88 52.994 58.733 -5.739 1 1 262 . 17 1 1 A 73 73 ASN CB C 88 38.894 29.190 9.704 1 1 263 . 17 1 1 A 73 73 ASN N N 88 116.602 122.641 -6.039 1 1 265 . 17 1 1 A 74 74 PHE H H 89 7.623 7.810 -0.187 1 1 266 . 17 1 1 A 74 74 PHE CA C 89 56.882 57.020 -0.138 1 1 267 . 17 1 1 A 74 74 PHE CB C 89 44.873 40.273 4.600 1 1 268 . 17 1 1 A 74 74 PHE N N 89 114.645 118.746 -4.101 1 1 269 . 17 1 1 A 75 75 VAL H H 90 8.952 6.967 1.985 1 1 270 . 17 1 1 A 75 75 VAL CA C 90 63.301 57.980 5.321 1 1 271 . 17 1 1 A 75 75 VAL CB C 90 31.213 38.705 -7.492 1 1 272 . 17 1 1 A 75 75 VAL N N 90 120.004 116.252 3.752 1 1 273 . 17 1 1 A 76 76 MET H H 91 7.486 8.824 -1.338 1 1 274 . 17 1 1 A 76 76 MET CA C 91 53.528 55.815 -2.287 1 1 275 . 17 1 1 A 76 76 MET CB C 91 30.717 63.199 -32.482 1 1 276 . 17 1 1 A 76 76 MET N N 91 129.189 116.424 12.765 1 1 278 . 17 1 1 A 77 77 VAL CA C 92 60.953 63.822 -2.869 1 1 279 . 17 1 1 A 77 77 VAL CB C 92 37.090 32.191 4.899 1 1 280 . 17 1 1 A 77 77 VAL N N 92 122.955 135.851 -12.896 1 1 281 . 17 1 1 A 78 78 ASN H H 93 10.248 8.315 1.933 1 1 283 . 17 1 1 A 78 78 ASN CA C 93 52.125 55.552 -3.427 1 1 284 . 17 1 1 A 78 78 ASN CB C 93 41.857 43.573 -1.716 1 1 285 . 17 1 1 A 78 78 ASN N N 93 126.507 119.612 6.895 1 1 287 . 17 1 1 A 79 79 LEU H H 94 9.104 7.942 1.162 1 1 288 . 17 1 1 A 79 79 LEU CA C 94 52.410 44.706 7.704 1 1 290 . 17 1 1 A 79 79 LEU N N 94 123.073 106.148 16.925 1 1 291 . 17 1 1 A 80 80 GLU H H 95 9.161 8.216 0.945 1 1 292 . 17 1 1 A 80 80 GLU CA C 95 53.391 45.639 7.752 1 1 294 . 17 1 1 A 80 80 GLU N N 95 125.765 111.362 14.403 1 1 295 . 17 1 1 A 81 81 ASP H H 96 8.107 7.796 0.311 1 1 296 . 17 1 1 A 81 81 ASP CA C 96 57.563 55.443 2.120 1 1 297 . 17 1 1 A 81 81 ASP CB C 96 38.605 42.008 -3.403 1 1 298 . 17 1 1 A 81 81 ASP N N 96 126.380 117.566 8.814 1 1 299 . 17 1 1 A 82 82 GLU H H 97 8.836 8.934 -0.098 1 1 300 . 17 1 1 A 82 82 GLU CA C 97 58.555 57.297 1.258 1 1 301 . 17 1 1 A 82 82 GLU CB C 97 28.422 40.641 -12.219 1 1 302 . 17 1 1 A 82 82 GLU N N 97 123.966 116.541 7.425 1 1 304 . 17 1 1 A 83 83 GLU CA C 98 56.619 62.439 -5.820 1 1 305 . 17 1 1 A 83 83 GLU CB C 98 30.722 32.700 -1.978 1 1 306 . 17 1 1 A 83 83 GLU N N 98 118.069 143.355 -25.286 1 1 307 . 17 1 1 A 84 84 GLU H H 99 7.298 8.292 -0.994 1 1 308 . 17 1 1 A 84 84 GLU CA C 99 54.482 54.517 -0.035 1 1 309 . 17 1 1 A 84 84 GLU CB C 99 29.535 34.282 -4.747 1 1 310 . 17 1 1 A 84 84 GLU N N 99 119.571 121.462 -1.891 1 1 311 . 17 1 1 A 85 85 PRO CA C 100 62.512 59.330 3.182 1 1 312 . 17 1 1 A 85 85 PRO CB C 100 32.805 39.381 -6.576 1 1 313 . 17 1 1 A 86 86 LYS H H 101 8.640 8.596 0.044 1 1 314 . 17 1 1 A 86 86 LYS CA C 101 55.615 53.585 2.030 1 1 315 . 17 1 1 A 86 86 LYS CB C 101 31.117 43.905 -12.788 1 1 316 . 17 1 1 A 86 86 LYS N N 101 122.999 118.340 4.659 1 1 317 . 17 1 1 A 87 87 ASP H H 102 7.395 8.229 -0.834 1 1 318 . 17 1 1 A 87 87 ASP CA C 102 54.233 57.219 -2.986 1 1 319 . 17 1 1 A 87 87 ASP CB C 102 42.084 41.328 0.756 1 1 320 . 17 1 1 A 87 87 ASP N N 102 119.006 121.058 -2.052 1 1 321 . 17 1 1 A 88 88 GLU H H 103 9.217 8.658 0.559 1 1 322 . 17 1 1 A 88 88 GLU CA C 103 58.996 53.812 5.184 1 1 323 . 17 1 1 A 88 88 GLU CB C 103 29.226 44.500 -15.274 1 1 324 . 17 1 1 A 88 88 GLU N N 103 127.412 118.424 8.988 1 1 325 . 17 1 1 A 89 89 ASP H H 104 9.043 8.311 0.732 1 1 326 . 17 1 1 A 89 89 ASP CA C 104 56.138 52.528 3.610 1 1 327 . 17 1 1 A 89 89 ASP CB C 104 39.487 40.188 -0.701 1 1 328 . 17 1 1 A 89 89 ASP N N 104 121.056 119.439 1.617 1 1 330 . 17 1 1 A 90 90 PHE CA C 105 58.124 62.682 -4.558 1 1 331 . 17 1 1 A 90 90 PHE CB C 105 38.909 30.423 8.486 1 1 332 . 17 1 1 A 90 90 PHE N N 105 111.473 138.832 -27.359 1 1 333 . 17 1 1 A 91 91 SER H H 106 7.907 7.958 -0.051 1 1 334 . 17 1 1 A 91 91 SER CA C 106 55.565 58.315 -2.750 1 1 335 . 17 1 1 A 91 91 SER CB C 106 63.139 65.875 -2.736 1 1 336 . 17 1 1 A 91 91 SER N N 106 115.544 114.794 0.750 1 1 337 . 17 1 1 A 92 92 PRO CA C 107 65.329 45.348 19.981 1 1 339 . 17 1 1 A 93 93 ASP H H 108 9.095 7.478 1.617 1 1 340 . 17 1 1 A 93 93 ASP CA C 108 52.726 55.052 -2.326 1 1 341 . 17 1 1 A 93 93 ASP CB C 108 40.551 33.141 7.410 1 1 342 . 17 1 1 A 93 93 ASP N N 108 115.482 120.488 -5.006 1 1 343 . 17 1 1 A 94 94 GLY H H 109 6.947 7.726 -0.779 1 1 344 . 17 1 1 A 94 94 GLY CA C 109 44.385 63.596 -19.211 1 1 345 . 17 1 1 A 94 94 GLY N N 109 106.691 122.694 -16.003 1 1 346 . 17 1 1 A 95 95 GLY H H 110 8.423 8.495 -0.072 1 1 347 . 17 1 1 A 95 95 GLY CA C 110 45.873 53.771 -7.898 1 1 348 . 17 1 1 A 95 95 GLY N N 110 107.178 122.226 -15.048 1 1 350 . 17 1 1 A 96 96 TYR CA C 111 55.619 63.365 -7.746 1 1 351 . 17 1 1 A 96 96 TYR CB C 111 38.312 30.368 7.944 1 1 352 . 17 1 1 A 96 96 TYR N N 111 116.246 138.979 -22.733 1 1 353 . 17 1 1 A 97 97 ILE H H 112 7.878 9.260 -1.382 1 1 354 . 17 1 1 A 97 97 ILE CA C 112 58.650 57.953 0.697 1 1 355 . 17 1 1 A 97 97 ILE N N 112 113.713 117.140 -3.427 1 1 356 . 17 1 1 A 98 98 PRO CA C 113 62.337 60.753 1.584 1 1 357 . 17 1 1 A 98 98 PRO CB C 113 34.315 36.930 -2.615 1 1 358 . 17 1 1 A 99 99 ARG H H 114 8.514 8.264 0.250 1 1 359 . 17 1 1 A 99 99 ARG CA C 114 54.460 59.508 -5.048 1 1 360 . 17 1 1 A 99 99 ARG CB C 114 34.399 39.373 -4.974 1 1 361 . 17 1 1 A 99 99 ARG N N 114 117.550 126.760 -9.210 1 1 362 . 17 1 1 A 100 100 ILE H H 115 8.819 9.363 -0.544 1 1 363 . 17 1 1 A 100 100 ILE CA C 115 60.937 57.052 3.885 1 1 364 . 17 1 1 A 100 100 ILE CB C 115 39.021 38.703 0.318 1 1 365 . 17 1 1 A 100 100 ILE N N 115 122.056 120.995 1.061 1 1 366 . 17 1 1 A 101 101 LEU H H 116 8.692 8.080 0.612 1 1 367 . 17 1 1 A 101 101 LEU CA C 116 52.377 57.727 -5.350 1 1 368 . 17 1 1 A 101 101 LEU CB C 116 46.493 27.911 18.582 1 1 369 . 17 1 1 A 101 101 LEU N N 116 127.243 117.386 9.857 1 1 370 . 17 1 1 A 102 102 PHE H H 117 9.004 8.375 0.629 1 1 371 . 17 1 1 A 102 102 PHE CA C 117 57.076 54.276 2.800 1 1 372 . 17 1 1 A 102 102 PHE CB C 117 42.048 41.133 0.915 1 1 373 . 17 1 1 A 102 102 PHE N N 117 116.784 114.995 1.789 1 1 374 . 17 1 1 A 103 103 LEU H H 118 9.303 7.868 1.435 1 1 375 . 17 1 1 A 103 103 LEU CA C 118 53.487 44.538 8.949 1 1 377 . 17 1 1 A 103 103 LEU N N 118 124.741 107.801 16.940 1 1 378 . 17 1 1 A 104 104 ASP H H 119 8.351 8.477 -0.126 1 1 379 . 17 1 1 A 104 104 ASP CA C 119 52.555 51.650 0.905 1 1 380 . 17 1 1 A 104 104 ASP CB C 119 39.406 38.804 0.602 1 1 381 . 17 1 1 A 104 104 ASP N N 119 117.539 116.520 1.019 1 1 382 . 17 1 1 A 105 105 PRO CA C 120 65.106 62.831 2.275 1 1 383 . 17 1 1 A 105 105 PRO CB C 120 31.459 29.697 1.762 1 1 384 . 17 1 1 A 106 106 SER H H 121 8.229 8.287 -0.058 1 1 385 . 17 1 1 A 106 106 SER CA C 121 58.891 57.297 1.594 1 1 386 . 17 1 1 A 106 106 SER CB C 121 64.061 63.871 0.190 1 1 387 . 17 1 1 A 106 106 SER N N 121 111.546 115.570 -4.024 1 1 388 . 17 1 1 A 107 107 GLY H H 122 8.970 7.957 1.013 1 1 389 . 17 1 1 A 107 107 GLY CA C 122 45.417 59.171 -13.754 1 1 390 . 17 1 1 A 107 107 GLY N N 122 111.616 121.507 -9.891 1 1 391 . 17 1 1 A 108 108 LYS H H 123 7.405 7.788 -0.383 1 1 392 . 17 1 1 A 108 108 LYS CA C 123 54.729 58.639 -3.910 1 1 393 . 17 1 1 A 108 108 LYS CB C 123 32.929 31.180 1.749 1 1 394 . 17 1 1 A 108 108 LYS N N 123 120.930 117.294 3.636 1 1 395 . 17 1 1 A 109 109 VAL H H 124 8.875 8.574 0.301 1 1 396 . 17 1 1 A 109 109 VAL CA C 124 64.103 60.448 3.655 1 1 397 . 17 1 1 A 109 109 VAL CB C 124 32.249 38.043 -5.794 1 1 398 . 17 1 1 A 109 109 VAL N N 124 126.925 119.641 7.284 1 1 399 . 17 1 1 A 110 110 HIS H H 125 8.911 7.901 1.010 1 1 400 . 17 1 1 A 110 110 HIS CA C 125 54.469 57.586 -3.117 1 1 401 . 17 1 1 A 110 110 HIS CB C 125 28.893 39.457 -10.564 1 1 402 . 17 1 1 A 110 110 HIS N N 125 127.112 121.266 5.846 1 1 403 . 17 1 1 A 111 111 PRO CA C 126 63.311 54.850 8.461 1 1 404 . 17 1 1 A 111 111 PRO CB C 126 32.232 41.422 -9.190 1 1 405 . 17 1 1 A 112 112 GLU H H 127 10.959 8.380 2.579 1 1 406 . 17 1 1 A 112 112 GLU CA C 127 57.439 61.065 -3.626 1 1 407 . 17 1 1 A 112 112 GLU CB C 127 27.174 33.635 -6.461 1 1 408 . 17 1 1 A 112 112 GLU N N 127 123.144 115.879 7.265 1 1 409 . 17 1 1 A 113 113 ILE H H 128 7.493 8.553 -1.060 1 1 410 . 17 1 1 A 113 113 ILE CA C 128 61.518 58.244 3.274 1 1 411 . 17 1 1 A 113 113 ILE CB C 128 35.365 64.957 -29.592 1 1 412 . 17 1 1 A 113 113 ILE N N 128 123.479 119.302 4.177 1 1 413 . 17 1 1 A 114 114 ILE H H 129 8.300 8.825 -0.525 1 1 414 . 17 1 1 A 114 114 ILE CA C 129 59.109 55.298 3.811 1 1 415 . 17 1 1 A 114 114 ILE CB C 129 42.309 18.292 24.017 1 1 416 . 17 1 1 A 114 114 ILE N N 129 123.439 127.735 -4.296 1 1 417 . 17 1 1 A 115 115 ASN H H 130 8.622 8.345 0.277 1 1 420 . 17 1 1 A 115 115 ASN CA C 130 51.381 60.135 -8.754 1 1 421 . 17 1 1 A 115 115 ASN CB C 130 35.215 29.537 5.678 1 1 422 . 17 1 1 A 115 115 ASN N N 130 114.712 118.308 -3.596 1 1 424 . 17 1 1 A 116 116 GLU H H 131 8.463 8.237 0.226 1 1 425 . 17 1 1 A 116 116 GLU CA C 131 58.882 58.687 0.195 1 1 426 . 17 1 1 A 116 116 GLU CB C 131 29.606 28.493 1.113 1 1 427 . 17 1 1 A 116 116 GLU N N 131 127.900 118.537 9.363 1 1 428 . 17 1 1 A 117 117 ASN H H 132 7.545 7.785 -0.240 1 1 431 . 17 1 1 A 117 117 ASN CA C 132 52.960 64.582 -11.622 1 1 432 . 17 1 1 A 117 117 ASN CB C 132 39.777 31.232 8.545 1 1 433 . 17 1 1 A 117 117 ASN N N 132 113.958 119.628 -5.670 1 1 435 . 17 1 1 A 118 118 GLY H H 133 7.109 7.936 -0.827 1 1 436 . 17 1 1 A 118 118 GLY CA C 133 44.662 64.729 -20.067 1 1 437 . 17 1 1 A 118 118 GLY N N 133 107.288 119.684 -12.396 1 1 438 . 17 1 1 A 119 119 ASN H H 134 8.795 8.657 0.138 1 1 441 . 17 1 1 A 119 119 ASN CA C 134 50.277 58.286 -8.009 1 1 442 . 17 1 1 A 119 119 ASN CB C 134 40.102 28.146 11.956 1 1 443 . 17 1 1 A 119 119 ASN N N 134 122.889 120.027 2.862 1 1 445 . 17 1 1 A 120 120 PRO CA C 135 64.320 46.881 17.439 1 1 447 . 17 1 1 A 121 121 SER H H 136 8.260 7.822 0.438 1 1 448 . 17 1 1 A 121 121 SER CA C 136 60.199 58.388 1.811 1 1 449 . 17 1 1 A 121 121 SER CB C 136 63.228 32.690 30.538 1 1 450 . 17 1 1 A 121 121 SER N N 136 113.554 120.650 -7.096 1 1 451 . 17 1 1 A 122 122 TYR H H 137 7.580 8.519 -0.939 1 1 452 . 17 1 1 A 122 122 TYR CA C 137 54.584 58.432 -3.848 1 1 453 . 17 1 1 A 122 122 TYR CB C 137 38.872 31.259 7.613 1 1 454 . 17 1 1 A 122 122 TYR N N 137 119.864 118.119 1.745 1 1 455 . 17 1 1 A 123 123 LYS H H 138 9.556 7.796 1.760 1 1 456 . 17 1 1 A 123 123 LYS CA C 138 60.415 58.793 1.622 1 1 457 . 17 1 1 A 123 123 LYS CB C 138 31.945 30.310 1.635 1 1 458 . 17 1 1 A 123 123 LYS N N 138 123.955 119.045 4.910 1 1 459 . 17 1 1 A 124 124 TYR H H 139 8.486 7.776 0.710 1 1 460 . 17 1 1 A 124 124 TYR CA C 139 56.009 54.799 1.210 1 1 461 . 17 1 1 A 124 124 TYR CB C 139 37.666 18.000 19.666 1 1 462 . 17 1 1 A 124 124 TYR N N 139 113.738 122.574 -8.836 1 1 463 . 17 1 1 A 125 125 PHE H H 140 7.562 8.489 -0.927 1 1 464 . 17 1 1 A 125 125 PHE CA C 140 56.561 58.396 -1.835 1 1 465 . 17 1 1 A 125 125 PHE CB C 140 40.897 27.767 13.130 1 1 466 . 17 1 1 A 125 125 PHE N N 140 122.592 115.240 7.352 1 1 467 . 17 1 1 A 126 126 TYR H H 141 8.133 8.302 -0.169 1 1 468 . 17 1 1 A 126 126 TYR CA C 141 57.326 56.996 0.330 1 1 469 . 17 1 1 A 126 126 TYR CB C 141 41.768 31.311 10.457 1 1 470 . 17 1 1 A 126 126 TYR N N 141 129.225 117.094 12.131 1 1 471 . 17 1 1 A 127 127 VAL H H 142 8.081 7.791 0.290 1 1 472 . 17 1 1 A 127 127 VAL CA C 142 61.414 58.155 3.259 1 1 473 . 17 1 1 A 127 127 VAL CB C 142 34.245 29.730 4.515 1 1 474 . 17 1 1 A 127 127 VAL N N 142 112.892 119.443 -6.551 1 1 475 . 17 1 1 A 128 128 SER H H 143 7.362 7.915 -0.553 1 1 476 . 17 1 1 A 128 128 SER CA C 143 55.028 56.298 -1.270 1 1 477 . 17 1 1 A 128 128 SER CB C 143 67.261 41.957 25.304 1 1 478 . 17 1 1 A 128 128 SER N N 143 112.848 118.862 -6.014 1 1 479 . 17 1 1 A 129 129 ALA H H 144 9.331 7.608 1.723 1 1 480 . 17 1 1 A 129 129 ALA CA C 144 55.568 63.610 -8.042 1 1 481 . 17 1 1 A 129 129 ALA CB C 144 18.005 68.391 -50.386 1 1 482 . 17 1 1 A 129 129 ALA N N 144 124.250 110.293 13.957 1 1 483 . 17 1 1 A 130 130 GLU H H 145 9.152 8.737 0.415 1 1 484 . 17 1 1 A 130 130 GLU CA C 145 60.626 45.791 14.835 1 1 486 . 17 1 1 A 130 130 GLU N N 145 116.980 113.235 3.745 1 1 487 . 17 1 1 A 131 131 GLN H H 146 7.621 8.697 -1.076 1 1 490 . 17 1 1 A 131 131 GLN CA C 146 58.552 53.573 4.979 1 1 491 . 17 1 1 A 131 131 GLN CB C 146 29.038 41.531 -12.493 1 1 492 . 17 1 1 A 131 131 GLN N N 146 117.565 126.107 -8.542 1 1 494 . 17 1 1 A 132 132 VAL H H 147 7.780 8.019 -0.239 1 1 495 . 17 1 1 A 132 132 VAL CA C 147 66.928 54.617 12.311 1 1 496 . 17 1 1 A 132 132 VAL CB C 147 31.324 18.445 12.879 1 1 497 . 17 1 1 A 132 132 VAL N N 147 121.486 122.229 -0.743 1 1 498 . 17 1 1 A 133 133 VAL H H 148 8.609 8.222 0.387 1 1 499 . 17 1 1 A 133 133 VAL CA C 148 67.053 60.828 6.225 1 1 500 . 17 1 1 A 133 133 VAL CB C 148 31.927 37.451 -5.524 1 1 501 . 17 1 1 A 133 133 VAL N N 148 119.560 114.226 5.334 1 1 502 . 17 1 1 A 134 134 GLN H H 149 7.365 6.785 0.580 1 1 505 . 17 1 1 A 134 134 GLN CA C 149 59.382 55.697 3.685 1 1 506 . 17 1 1 A 134 134 GLN CB C 149 27.860 30.979 -3.119 1 1 507 . 17 1 1 A 134 134 GLN N N 149 117.080 120.412 -3.332 1 1 509 . 17 1 1 A 135 135 GLY H H 150 8.085 8.195 -0.110 1 1 510 . 17 1 1 A 135 135 GLY CA C 150 47.499 56.251 -8.752 1 1 511 . 17 1 1 A 135 135 GLY N N 150 107.849 120.390 -12.541 1 1 512 . 17 1 1 A 136 136 MET H H 151 8.593 8.791 -0.198 1 1 513 . 17 1 1 A 136 136 MET CA C 151 59.730 58.397 1.333 1 1 514 . 17 1 1 A 136 136 MET CB C 151 35.435 31.210 4.225 1 1 515 . 17 1 1 A 136 136 MET N N 151 119.390 118.182 1.208 1 1 516 . 17 1 1 A 137 137 LYS H H 152 8.591 8.879 -0.288 1 1 517 . 17 1 1 A 137 137 LYS CA C 152 60.659 58.684 1.975 1 1 518 . 17 1 1 A 137 137 LYS CB C 152 32.617 30.253 2.364 1 1 519 . 17 1 1 A 137 137 LYS N N 152 119.226 120.471 -1.245 1 1 520 . 17 1 1 A 138 138 GLU H H 153 7.870 7.835 0.035 1 1 521 . 17 1 1 A 138 138 GLU CA C 153 59.134 53.725 5.409 1 1 522 . 17 1 1 A 138 138 GLU CB C 153 28.879 45.944 -17.065 1 1 523 . 17 1 1 A 138 138 GLU N N 153 120.709 113.942 6.767 1 1 524 . 17 1 1 A 139 139 ALA H H 154 8.493 8.602 -0.109 1 1 525 . 17 1 1 A 139 139 ALA CA C 154 55.450 54.199 1.251 1 1 526 . 17 1 1 A 139 139 ALA CB C 154 18.695 32.282 -13.587 1 1 527 . 17 1 1 A 139 139 ALA N N 154 120.598 118.326 2.272 1 1 528 . 17 1 1 A 140 140 GLN H H 155 8.582 9.083 -0.501 1 1 531 . 17 1 1 A 140 140 GLN CA C 155 59.239 54.931 4.308 1 1 532 . 17 1 1 A 140 140 GLN CB C 155 28.027 39.719 -11.692 1 1 533 . 17 1 1 A 140 140 GLN N N 155 116.438 119.931 -3.493 1 1 535 . 17 1 1 A 141 141 GLU H H 156 7.563 8.397 -0.834 1 1 536 . 17 1 1 A 141 141 GLU CA C 156 58.896 57.894 1.002 1 1 537 . 17 1 1 A 141 141 GLU CB C 156 29.885 32.447 -2.562 1 1 538 . 17 1 1 A 141 141 GLU N N 156 118.759 127.143 -8.384 1 1 1 . 18 1 1 A 7 7 HIS CA C 22 56.307 54.222 2.085 1 1 2 . 18 1 1 A 7 7 HIS CB C 22 30.341 31.065 -0.724 1 1 3 . 18 1 1 A 8 8 MET H H 23 8.449 8.150 0.299 1 1 4 . 18 1 1 A 8 8 MET CA C 23 55.742 61.824 -6.082 1 1 5 . 18 1 1 A 8 8 MET CB C 23 32.842 39.411 -6.569 1 1 6 . 18 1 1 A 8 8 MET N N 23 122.176 123.183 -1.007 1 1 7 . 18 1 1 A 9 9 SER H H 24 8.428 6.705 1.723 1 1 8 . 18 1 1 A 9 9 SER CA C 24 58.412 54.337 4.075 1 1 9 . 18 1 1 A 9 9 SER CB C 24 63.900 28.086 35.814 1 1 10 . 18 1 1 A 9 9 SER N N 24 116.789 116.939 -0.150 1 1 11 . 18 1 1 A 10 10 ASP H H 25 8.382 7.216 1.166 1 1 12 . 18 1 1 A 10 10 ASP CA C 25 54.487 56.568 -2.081 1 1 13 . 18 1 1 A 10 10 ASP CB C 25 41.285 31.164 10.121 1 1 14 . 18 1 1 A 10 10 ASP N N 25 122.384 118.199 4.185 1 1 15 . 18 1 1 A 11 11 GLY H H 26 8.363 7.497 0.866 1 1 16 . 18 1 1 A 11 11 GLY CA C 26 45.546 58.142 -12.596 1 1 17 . 18 1 1 A 11 11 GLY N N 26 108.671 120.640 -11.969 1 1 18 . 18 1 1 A 12 12 HIS H H 27 8.350 7.469 0.881 1 1 19 . 18 1 1 A 12 12 HIS CA C 27 56.103 63.098 -6.995 1 1 20 . 18 1 1 A 12 12 HIS CB C 27 29.813 68.174 -38.361 1 1 21 . 18 1 1 A 12 12 HIS N N 27 118.814 111.071 7.743 1 1 22 . 18 1 1 A 13 13 ASN H H 28 8.505 8.832 -0.327 1 1 25 . 18 1 1 A 13 13 ASN CA C 28 53.482 58.172 -4.690 1 1 26 . 18 1 1 A 13 13 ASN CB C 28 39.386 42.186 -2.800 1 1 27 . 18 1 1 A 13 13 ASN N N 28 119.523 125.765 -6.242 1 1 29 . 18 1 1 A 14 14 GLY H H 29 8.743 8.317 0.426 1 1 30 . 18 1 1 A 14 14 GLY CA C 29 45.534 59.580 -14.046 1 1 31 . 18 1 1 A 14 14 GLY N N 29 110.136 119.381 -9.245 1 1 32 . 18 1 1 A 15 15 LEU H H 30 8.466 8.195 0.271 1 1 33 . 18 1 1 A 15 15 LEU CA C 30 56.146 56.685 -0.539 1 1 34 . 18 1 1 A 15 15 LEU CB C 30 42.864 40.584 2.280 1 1 35 . 18 1 1 A 15 15 LEU N N 30 120.511 119.546 0.965 1 1 36 . 18 1 1 A 16 16 GLY H H 31 8.886 8.377 0.509 1 1 37 . 18 1 1 A 16 16 GLY CA C 31 47.064 46.999 0.065 1 1 38 . 18 1 1 A 16 16 GLY N N 31 108.073 107.539 0.534 1 1 39 . 18 1 1 A 17 17 LYS H H 32 7.854 8.090 -0.236 1 1 40 . 18 1 1 A 17 17 LYS CA C 32 55.661 58.484 -2.823 1 1 41 . 18 1 1 A 17 17 LYS CB C 32 29.379 32.371 -2.992 1 1 42 . 18 1 1 A 17 17 LYS N N 32 110.952 121.509 -10.557 1 1 43 . 18 1 1 A 18 18 GLY H H 33 8.095 7.872 0.223 1 1 44 . 18 1 1 A 18 18 GLY CA C 33 44.893 59.082 -14.189 1 1 45 . 18 1 1 A 18 18 GLY N N 33 103.957 118.023 -14.066 1 1 46 . 18 1 1 A 19 19 PHE H H 34 7.887 7.420 0.467 1 1 47 . 18 1 1 A 19 19 PHE CA C 34 61.146 58.611 2.535 1 1 48 . 18 1 1 A 19 19 PHE CB C 34 38.963 29.779 9.184 1 1 49 . 18 1 1 A 19 19 PHE N N 34 117.883 119.282 -1.399 1 1 50 . 18 1 1 A 20 20 GLY H H 35 7.696 8.321 -0.625 1 1 51 . 18 1 1 A 20 20 GLY CA C 35 45.189 54.776 -9.587 1 1 52 . 18 1 1 A 20 20 GLY N N 35 102.668 121.240 -18.572 1 1 53 . 18 1 1 A 21 21 ASP H H 36 9.284 7.675 1.609 1 1 54 . 18 1 1 A 21 21 ASP CA C 36 56.026 54.935 1.091 1 1 55 . 18 1 1 A 21 21 ASP CB C 36 40.543 18.478 22.065 1 1 56 . 18 1 1 A 21 21 ASP N N 36 129.289 120.375 8.914 1 1 57 . 18 1 1 A 22 22 HIS H H 37 9.058 7.928 1.130 1 1 58 . 18 1 1 A 22 22 HIS CA C 37 56.628 55.237 1.391 1 1 59 . 18 1 1 A 22 22 HIS CB C 37 29.941 18.662 11.279 1 1 60 . 18 1 1 A 22 22 HIS N N 37 116.742 120.744 -4.002 1 1 61 . 18 1 1 A 23 23 ILE H H 38 6.449 7.419 -0.970 1 1 62 . 18 1 1 A 23 23 ILE CA C 38 59.183 59.222 -0.039 1 1 63 . 18 1 1 A 23 23 ILE CB C 38 39.408 63.358 -23.950 1 1 64 . 18 1 1 A 23 23 ILE N N 38 124.704 113.600 11.104 1 1 65 . 18 1 1 A 24 24 HIS H H 39 7.857 8.202 -0.345 1 1 66 . 18 1 1 A 24 24 HIS CA C 39 52.931 46.001 6.930 1 1 68 . 18 1 1 A 24 24 HIS N N 39 124.600 110.299 14.301 1 1 69 . 18 1 1 A 25 25 TRP H H 40 8.032 7.550 0.482 1 1 71 . 18 1 1 A 25 25 TRP CA C 40 57.058 51.923 5.135 1 1 72 . 18 1 1 A 25 25 TRP CB C 40 30.411 41.802 -11.391 1 1 73 . 18 1 1 A 25 25 TRP N N 40 130.002 117.882 12.120 1 1 76 . 18 1 1 A 26 26 ARG CA C 41 54.500 61.962 -7.462 1 1 77 . 18 1 1 A 26 26 ARG CB C 41 35.055 33.016 2.039 1 1 78 . 18 1 1 A 26 26 ARG N N 41 122.005 138.834 -16.829 1 1 79 . 18 1 1 A 27 27 THR H H 42 8.562 7.875 0.687 1 1 80 . 18 1 1 A 27 27 THR CA C 42 61.294 52.719 8.575 1 1 81 . 18 1 1 A 27 27 THR CB C 42 70.325 46.160 24.165 1 1 82 . 18 1 1 A 27 27 THR N N 42 111.261 115.906 -4.645 1 1 83 . 18 1 1 A 28 28 LEU H H 43 8.994 9.145 -0.151 1 1 84 . 18 1 1 A 28 28 LEU CA C 43 59.121 54.173 4.948 1 1 85 . 18 1 1 A 28 28 LEU CB C 43 41.515 34.342 7.173 1 1 86 . 18 1 1 A 28 28 LEU N N 43 121.976 121.697 0.279 1 1 87 . 18 1 1 A 29 29 GLU H H 44 8.759 9.072 -0.313 1 1 88 . 18 1 1 A 29 29 GLU CA C 44 59.928 60.727 -0.799 1 1 89 . 18 1 1 A 29 29 GLU CB C 44 29.342 32.059 -2.717 1 1 90 . 18 1 1 A 29 29 GLU N N 44 116.492 123.095 -6.603 1 1 91 . 18 1 1 A 30 30 ASP H H 45 7.692 8.414 -0.722 1 1 92 . 18 1 1 A 30 30 ASP CA C 45 57.131 62.398 -5.267 1 1 93 . 18 1 1 A 30 30 ASP CB C 45 40.093 37.800 2.293 1 1 94 . 18 1 1 A 30 30 ASP N N 45 119.105 128.427 -9.322 1 1 95 . 18 1 1 A 31 31 GLY H H 46 9.224 8.309 0.915 1 1 96 . 18 1 1 A 31 31 GLY CA C 46 47.426 59.715 -12.289 1 1 97 . 18 1 1 A 31 31 GLY N N 46 111.508 127.916 -16.408 1 1 98 . 18 1 1 A 32 32 LYS H H 47 8.691 8.587 0.104 1 1 99 . 18 1 1 A 32 32 LYS CA C 47 60.968 54.448 6.520 1 1 100 . 18 1 1 A 32 32 LYS CB C 47 32.534 31.767 0.767 1 1 101 . 18 1 1 A 32 32 LYS N N 47 121.519 123.530 -2.011 1 1 102 . 18 1 1 A 33 33 LYS H H 48 7.234 8.294 -1.060 1 1 103 . 18 1 1 A 33 33 LYS CA C 48 59.734 54.421 5.313 1 1 104 . 18 1 1 A 33 33 LYS CB C 48 32.349 35.708 -3.359 1 1 105 . 18 1 1 A 33 33 LYS N N 48 119.937 123.585 -3.648 1 1 106 . 18 1 1 A 34 34 GLU H H 49 8.179 8.556 -0.377 1 1 107 . 18 1 1 A 34 34 GLU CA C 49 58.911 60.308 -1.397 1 1 108 . 18 1 1 A 34 34 GLU CB C 49 29.393 61.798 -32.405 1 1 109 . 18 1 1 A 34 34 GLU N N 49 121.748 113.668 8.080 1 1 110 . 18 1 1 A 35 35 ALA H H 50 9.142 7.878 1.264 1 1 111 . 18 1 1 A 35 35 ALA CA C 50 56.068 58.529 -2.461 1 1 112 . 18 1 1 A 35 35 ALA CB C 50 19.504 29.345 -9.841 1 1 113 . 18 1 1 A 35 35 ALA N N 50 125.093 123.281 1.812 1 1 114 . 18 1 1 A 36 36 ALA H H 51 7.548 8.607 -1.059 1 1 115 . 18 1 1 A 36 36 ALA CA C 51 54.765 57.307 -2.542 1 1 116 . 18 1 1 A 36 36 ALA CB C 51 18.095 31.170 -13.075 1 1 117 . 18 1 1 A 36 36 ALA N N 51 118.057 124.366 -6.309 1 1 118 . 18 1 1 A 37 37 ALA H H 52 7.517 8.724 -1.207 1 1 119 . 18 1 1 A 37 37 ALA CA C 52 54.200 46.041 8.159 1 1 121 . 18 1 1 A 37 37 ALA N N 52 118.541 115.686 2.855 1 1 122 . 18 1 1 A 38 38 SER H H 53 8.330 8.237 0.093 1 1 123 . 18 1 1 A 38 38 SER CA C 53 59.095 54.271 4.824 1 1 124 . 18 1 1 A 38 38 SER CB C 53 65.540 18.481 47.059 1 1 125 . 18 1 1 A 38 38 SER N N 53 110.905 124.413 -13.508 1 1 126 . 18 1 1 A 39 39 GLY H H 54 8.454 7.447 1.007 1 1 127 . 18 1 1 A 39 39 GLY CA C 54 46.559 61.313 -14.754 1 1 128 . 18 1 1 A 39 39 GLY N N 54 112.427 115.644 -3.217 1 1 129 . 18 1 1 A 40 40 LEU H H 55 7.580 8.017 -0.437 1 1 130 . 18 1 1 A 40 40 LEU CA C 55 51.891 58.919 -7.028 1 1 131 . 18 1 1 A 40 40 LEU CB C 55 43.061 31.875 11.186 1 1 132 . 18 1 1 A 40 40 LEU N N 55 121.312 118.448 2.864 1 1 133 . 18 1 1 A 41 41 PRO CA C 56 61.426 54.696 6.730 1 1 134 . 18 1 1 A 41 41 PRO CB C 56 32.878 18.388 14.490 1 1 135 . 18 1 1 A 42 42 LEU H H 57 8.447 7.428 1.019 1 1 136 . 18 1 1 A 42 42 LEU CA C 57 55.025 58.043 -3.018 1 1 137 . 18 1 1 A 42 42 LEU CB C 57 44.360 40.833 3.527 1 1 138 . 18 1 1 A 42 42 LEU N N 57 116.186 117.181 -0.995 1 1 139 . 18 1 1 A 43 43 MET H H 58 8.610 7.744 0.866 1 1 140 . 18 1 1 A 43 43 MET CA C 58 54.951 61.506 -6.555 1 1 141 . 18 1 1 A 43 43 MET CB C 58 34.319 30.695 3.624 1 1 142 . 18 1 1 A 43 43 MET N N 58 124.827 118.991 5.836 1 1 144 . 18 1 1 A 44 44 VAL CA C 59 60.237 65.125 -4.888 1 1 145 . 18 1 1 A 44 44 VAL CB C 59 34.052 31.052 3.000 1 1 146 . 18 1 1 A 44 44 VAL N N 59 125.176 132.569 -7.393 1 1 147 . 18 1 1 A 45 45 ILE H H 60 8.512 8.524 -0.012 1 1 148 . 18 1 1 A 45 45 ILE CA C 60 60.138 58.935 1.203 1 1 149 . 18 1 1 A 45 45 ILE CB C 60 40.622 32.747 7.875 1 1 150 . 18 1 1 A 45 45 ILE N N 60 125.614 116.339 9.275 1 1 151 . 18 1 1 A 46 46 ILE H H 61 9.528 8.808 0.720 1 1 152 . 18 1 1 A 46 46 ILE CA C 61 61.356 61.229 0.127 1 1 153 . 18 1 1 A 46 46 ILE CB C 61 39.017 39.666 -0.649 1 1 154 . 18 1 1 A 46 46 ILE N N 61 130.237 121.142 9.095 1 1 155 . 18 1 1 A 47 47 HIS H H 62 8.926 8.414 0.512 1 1 156 . 18 1 1 A 47 47 HIS CA C 62 54.153 55.070 -0.917 1 1 157 . 18 1 1 A 47 47 HIS CB C 62 35.638 18.400 17.238 1 1 158 . 18 1 1 A 47 47 HIS N N 62 121.634 121.006 0.628 1 1 159 . 18 1 1 A 48 48 LYS H H 63 7.798 8.288 -0.490 1 1 160 . 18 1 1 A 48 48 LYS CA C 63 52.412 58.649 -6.237 1 1 161 . 18 1 1 A 48 48 LYS CB C 63 33.666 29.642 4.024 1 1 162 . 18 1 1 A 48 48 LYS N N 63 116.188 119.750 -3.562 1 1 163 . 18 1 1 A 49 49 SER H H 64 10.807 8.997 1.810 1 1 164 . 18 1 1 A 49 49 SER CA C 64 60.779 60.196 0.583 1 1 165 . 18 1 1 A 49 49 SER CB C 64 62.612 62.079 0.533 1 1 166 . 18 1 1 A 49 49 SER N N 64 121.963 115.805 6.158 1 1 167 . 18 1 1 A 50 50 TRP H H 65 6.564 7.865 -1.301 1 1 169 . 18 1 1 A 50 50 TRP CA C 65 54.246 65.964 -11.718 1 1 170 . 18 1 1 A 50 50 TRP CB C 65 29.500 68.318 -38.818 1 1 171 . 18 1 1 A 50 50 TRP N N 65 115.717 114.485 1.232 1 1 173 . 18 1 1 A 51 51 CYS H H 66 6.689 8.016 -1.327 1 1 174 . 18 1 1 A 51 51 CYS CA C 66 60.195 59.158 1.037 1 1 175 . 18 1 1 A 51 51 CYS CB C 66 30.909 29.097 1.812 1 1 176 . 18 1 1 A 51 51 CYS N N 66 125.894 120.110 5.784 1 1 177 . 18 1 1 A 52 52 GLY H H 67 9.301 8.109 1.192 1 1 178 . 18 1 1 A 52 52 GLY CA C 67 47.510 63.182 -15.672 1 1 179 . 18 1 1 A 52 52 GLY N N 67 119.542 121.723 -2.181 1 1 180 . 18 1 1 A 53 53 ALA H H 68 9.861 8.240 1.621 1 1 181 . 18 1 1 A 53 53 ALA CA C 68 55.404 60.942 -5.538 1 1 182 . 18 1 1 A 53 53 ALA CB C 68 18.521 63.183 -44.662 1 1 183 . 18 1 1 A 53 53 ALA N N 68 133.080 117.990 15.090 1 1 184 . 18 1 1 A 54 54 CYS H H 69 9.891 7.962 1.929 1 1 185 . 18 1 1 A 54 54 CYS CA C 69 64.497 58.952 5.545 1 1 186 . 18 1 1 A 54 54 CYS CB C 69 29.057 30.513 -1.456 1 1 187 . 18 1 1 A 54 54 CYS N N 69 127.404 118.319 9.085 1 1 188 . 18 1 1 A 55 55 LYS H H 70 8.059 7.979 0.080 1 1 189 . 18 1 1 A 55 55 LYS CA C 70 59.840 58.108 1.732 1 1 190 . 18 1 1 A 55 55 LYS CB C 70 32.942 41.566 -8.624 1 1 191 . 18 1 1 A 55 55 LYS N N 70 118.141 121.969 -3.828 1 1 192 . 18 1 1 A 56 56 ALA H H 71 7.517 7.966 -0.449 1 1 193 . 18 1 1 A 56 56 ALA CA C 71 53.989 60.815 -6.826 1 1 194 . 18 1 1 A 56 56 ALA CB C 71 18.501 62.971 -44.470 1 1 195 . 18 1 1 A 56 56 ALA N N 71 118.540 114.134 4.406 1 1 196 . 18 1 1 A 57 57 LEU H H 72 7.351 8.500 -1.149 1 1 197 . 18 1 1 A 57 57 LEU CA C 72 56.998 58.240 -1.242 1 1 198 . 18 1 1 A 57 57 LEU CB C 72 42.256 28.311 13.945 1 1 199 . 18 1 1 A 57 57 LEU N N 72 117.293 118.549 -1.256 1 1 200 . 18 1 1 A 58 58 LYS H H 73 7.101 8.683 -1.582 1 1 201 . 18 1 1 A 58 58 LYS CA C 73 62.302 53.925 8.377 1 1 202 . 18 1 1 A 58 58 LYS CB C 73 30.098 39.316 -9.218 1 1 203 . 18 1 1 A 58 58 LYS N N 73 115.956 115.979 -0.023 1 1 204 . 18 1 1 A 59 59 PRO CA C 74 65.581 56.566 9.015 1 1 205 . 18 1 1 A 59 59 PRO CB C 74 30.726 43.598 -12.872 1 1 206 . 18 1 1 A 60 60 LYS H H 75 6.694 8.391 -1.697 1 1 207 . 18 1 1 A 60 60 LYS CA C 75 58.353 59.790 -1.437 1 1 208 . 18 1 1 A 60 60 LYS CB C 75 32.606 34.498 -1.892 1 1 209 . 18 1 1 A 60 60 LYS N N 75 115.897 120.169 -4.272 1 1 210 . 18 1 1 A 61 61 PHE H H 76 8.285 8.446 -0.161 1 1 211 . 18 1 1 A 61 61 PHE CA C 76 60.241 53.740 6.501 1 1 212 . 18 1 1 A 61 61 PHE CB C 76 41.785 36.626 5.159 1 1 213 . 18 1 1 A 61 61 PHE N N 76 120.489 127.409 -6.920 1 1 214 . 18 1 1 A 62 62 ALA H H 77 9.036 8.873 0.163 1 1 215 . 18 1 1 A 62 62 ALA CA C 77 55.215 60.797 -5.582 1 1 216 . 18 1 1 A 62 62 ALA CB C 77 19.141 35.966 -16.825 1 1 217 . 18 1 1 A 62 62 ALA N N 77 119.890 119.663 0.227 1 1 218 . 18 1 1 A 63 63 GLU H H 78 7.541 9.173 -1.632 1 1 219 . 18 1 1 A 63 63 GLU CA C 78 55.965 52.094 3.871 1 1 220 . 18 1 1 A 63 63 GLU CB C 78 29.630 41.382 -11.752 1 1 221 . 18 1 1 A 63 63 GLU N N 78 111.511 125.941 -14.430 1 1 222 . 18 1 1 A 64 64 SER H H 79 6.861 8.657 -1.796 1 1 223 . 18 1 1 A 64 64 SER CA C 79 57.323 52.677 4.646 1 1 224 . 18 1 1 A 64 64 SER CB C 79 63.306 46.141 17.165 1 1 225 . 18 1 1 A 64 64 SER N N 79 111.856 121.328 -9.472 1 1 226 . 18 1 1 A 65 65 THR H H 80 9.169 8.362 0.807 1 1 227 . 18 1 1 A 65 65 THR CA C 80 65.335 54.648 10.687 1 1 228 . 18 1 1 A 65 65 THR CB C 80 68.216 33.690 34.526 1 1 229 . 18 1 1 A 65 65 THR N N 80 129.658 117.835 11.823 1 1 230 . 18 1 1 A 66 66 GLU H H 81 8.354 8.997 -0.643 1 1 231 . 18 1 1 A 66 66 GLU CA C 81 60.236 56.755 3.481 1 1 232 . 18 1 1 A 66 66 GLU CB C 81 30.136 39.767 -9.631 1 1 233 . 18 1 1 A 66 66 GLU N N 81 123.573 120.742 2.831 1 1 234 . 18 1 1 A 67 67 ILE H H 82 7.922 8.537 -0.615 1 1 235 . 18 1 1 A 67 67 ILE CA C 82 66.084 59.441 6.643 1 1 236 . 18 1 1 A 67 67 ILE CB C 82 37.806 29.375 8.431 1 1 237 . 18 1 1 A 67 67 ILE N N 82 119.503 119.836 -0.333 1 1 238 . 18 1 1 A 68 68 SER H H 83 7.214 8.524 -1.310 1 1 239 . 18 1 1 A 68 68 SER CA C 83 63.512 58.737 4.775 1 1 240 . 18 1 1 A 68 68 SER CB C 83 62.330 30.265 32.065 1 1 241 . 18 1 1 A 68 68 SER N N 83 112.464 117.983 -5.519 1 1 242 . 18 1 1 A 69 69 GLU H H 84 8.224 7.574 0.650 1 1 243 . 18 1 1 A 69 69 GLU CA C 84 59.597 56.795 2.802 1 1 244 . 18 1 1 A 69 69 GLU CB C 84 29.640 27.919 1.721 1 1 245 . 18 1 1 A 69 69 GLU N N 84 120.267 117.771 2.496 1 1 247 . 18 1 1 A 70 70 LEU CA C 85 57.423 65.074 -7.651 1 1 248 . 18 1 1 A 70 70 LEU CB C 85 42.942 32.168 10.774 1 1 249 . 18 1 1 A 70 70 LEU N N 85 119.797 135.352 -15.555 1 1 250 . 18 1 1 A 71 71 SER H H 86 8.580 8.224 0.356 1 1 251 . 18 1 1 A 71 71 SER CA C 86 62.310 57.521 4.789 1 1 252 . 18 1 1 A 71 71 SER CB C 86 62.306 31.229 31.077 1 1 253 . 18 1 1 A 71 71 SER N N 86 114.965 118.784 -3.819 1 1 254 . 18 1 1 A 72 72 HIS H H 87 7.189 8.089 -0.900 1 1 255 . 18 1 1 A 72 72 HIS CA C 87 57.593 52.873 4.720 1 1 256 . 18 1 1 A 72 72 HIS CB C 87 28.816 43.360 -14.544 1 1 257 . 18 1 1 A 72 72 HIS N N 87 119.159 118.317 0.842 1 1 258 . 18 1 1 A 73 73 ASN H H 88 8.148 8.805 -0.657 1 1 261 . 18 1 1 A 73 73 ASN CA C 88 52.994 58.734 -5.740 1 1 262 . 18 1 1 A 73 73 ASN CB C 88 38.894 29.067 9.827 1 1 263 . 18 1 1 A 73 73 ASN N N 88 116.602 120.618 -4.016 1 1 265 . 18 1 1 A 74 74 PHE H H 89 7.623 8.159 -0.536 1 1 266 . 18 1 1 A 74 74 PHE CA C 89 56.882 56.581 0.301 1 1 267 . 18 1 1 A 74 74 PHE CB C 89 44.873 40.714 4.159 1 1 268 . 18 1 1 A 74 74 PHE N N 89 114.645 119.796 -5.151 1 1 269 . 18 1 1 A 75 75 VAL H H 90 8.952 7.008 1.944 1 1 270 . 18 1 1 A 75 75 VAL CA C 90 63.301 56.905 6.396 1 1 271 . 18 1 1 A 75 75 VAL CB C 90 31.213 40.626 -9.413 1 1 272 . 18 1 1 A 75 75 VAL N N 90 120.004 112.535 7.469 1 1 273 . 18 1 1 A 76 76 MET H H 91 7.486 7.214 0.272 1 1 274 . 18 1 1 A 76 76 MET CA C 91 53.528 56.715 -3.187 1 1 275 . 18 1 1 A 76 76 MET CB C 91 30.717 64.479 -33.762 1 1 276 . 18 1 1 A 76 76 MET N N 91 129.189 116.103 13.086 1 1 278 . 18 1 1 A 77 77 VAL CA C 92 60.953 64.175 -3.222 1 1 279 . 18 1 1 A 77 77 VAL CB C 92 37.090 31.466 5.624 1 1 280 . 18 1 1 A 77 77 VAL N N 92 122.955 134.673 -11.718 1 1 281 . 18 1 1 A 78 78 ASN H H 93 10.248 8.287 1.961 1 1 283 . 18 1 1 A 78 78 ASN CA C 93 52.125 53.328 -1.203 1 1 284 . 18 1 1 A 78 78 ASN CB C 93 41.857 41.902 -0.045 1 1 285 . 18 1 1 A 78 78 ASN N N 93 126.507 117.746 8.761 1 1 287 . 18 1 1 A 79 79 LEU H H 94 9.104 7.728 1.376 1 1 288 . 18 1 1 A 79 79 LEU CA C 94 52.410 45.878 6.532 1 1 290 . 18 1 1 A 79 79 LEU N N 94 123.073 108.749 14.324 1 1 291 . 18 1 1 A 80 80 GLU H H 95 9.161 7.478 1.683 1 1 292 . 18 1 1 A 80 80 GLU CA C 95 53.391 45.670 7.721 1 1 294 . 18 1 1 A 80 80 GLU N N 95 125.765 105.451 20.314 1 1 295 . 18 1 1 A 81 81 ASP H H 96 8.107 7.684 0.423 1 1 296 . 18 1 1 A 81 81 ASP CA C 96 57.563 57.235 0.328 1 1 297 . 18 1 1 A 81 81 ASP CB C 96 38.605 40.610 -2.005 1 1 298 . 18 1 1 A 81 81 ASP N N 96 126.380 116.810 9.570 1 1 299 . 18 1 1 A 82 82 GLU H H 97 8.836 8.821 0.015 1 1 300 . 18 1 1 A 82 82 GLU CA C 97 58.555 57.506 1.049 1 1 301 . 18 1 1 A 82 82 GLU CB C 97 28.422 40.457 -12.035 1 1 302 . 18 1 1 A 82 82 GLU N N 97 123.966 114.575 9.391 1 1 304 . 18 1 1 A 83 83 GLU CA C 98 56.619 62.366 -5.747 1 1 305 . 18 1 1 A 83 83 GLU CB C 98 30.722 32.810 -2.088 1 1 306 . 18 1 1 A 83 83 GLU N N 98 118.069 144.031 -25.962 1 1 307 . 18 1 1 A 84 84 GLU H H 99 7.298 7.782 -0.484 1 1 308 . 18 1 1 A 84 84 GLU CA C 99 54.482 53.895 0.587 1 1 309 . 18 1 1 A 84 84 GLU CB C 99 29.535 33.578 -4.043 1 1 310 . 18 1 1 A 84 84 GLU N N 99 119.571 121.311 -1.740 1 1 311 . 18 1 1 A 85 85 PRO CA C 100 62.512 60.217 2.295 1 1 312 . 18 1 1 A 85 85 PRO CB C 100 32.805 38.265 -5.460 1 1 313 . 18 1 1 A 86 86 LYS H H 101 8.640 8.470 0.170 1 1 314 . 18 1 1 A 86 86 LYS CA C 101 55.615 53.305 2.310 1 1 315 . 18 1 1 A 86 86 LYS CB C 101 31.117 44.564 -13.447 1 1 316 . 18 1 1 A 86 86 LYS N N 101 122.999 128.765 -5.766 1 1 317 . 18 1 1 A 87 87 ASP H H 102 7.395 8.657 -1.262 1 1 318 . 18 1 1 A 87 87 ASP CA C 102 54.233 57.950 -3.717 1 1 319 . 18 1 1 A 87 87 ASP CB C 102 42.084 41.159 0.925 1 1 320 . 18 1 1 A 87 87 ASP N N 102 119.006 124.058 -5.052 1 1 321 . 18 1 1 A 88 88 GLU H H 103 9.217 8.848 0.369 1 1 322 . 18 1 1 A 88 88 GLU CA C 103 58.996 53.828 5.168 1 1 323 . 18 1 1 A 88 88 GLU CB C 103 29.226 45.087 -15.861 1 1 324 . 18 1 1 A 88 88 GLU N N 103 127.412 118.741 8.671 1 1 325 . 18 1 1 A 89 89 ASP H H 104 9.043 8.204 0.839 1 1 326 . 18 1 1 A 89 89 ASP CA C 104 56.138 52.620 3.518 1 1 327 . 18 1 1 A 89 89 ASP CB C 104 39.487 40.100 -0.613 1 1 328 . 18 1 1 A 89 89 ASP N N 104 121.056 119.322 1.734 1 1 330 . 18 1 1 A 90 90 PHE CA C 105 58.124 62.980 -4.856 1 1 331 . 18 1 1 A 90 90 PHE CB C 105 38.909 31.034 7.875 1 1 332 . 18 1 1 A 90 90 PHE N N 105 111.473 138.139 -26.666 1 1 333 . 18 1 1 A 91 91 SER H H 106 7.907 8.256 -0.349 1 1 334 . 18 1 1 A 91 91 SER CA C 106 55.565 58.330 -2.765 1 1 335 . 18 1 1 A 91 91 SER CB C 106 63.139 65.925 -2.786 1 1 336 . 18 1 1 A 91 91 SER N N 106 115.544 114.779 0.765 1 1 337 . 18 1 1 A 92 92 PRO CA C 107 65.329 45.535 19.794 1 1 339 . 18 1 1 A 93 93 ASP H H 108 9.095 7.486 1.609 1 1 340 . 18 1 1 A 93 93 ASP CA C 108 52.726 54.918 -2.192 1 1 341 . 18 1 1 A 93 93 ASP CB C 108 40.551 32.731 7.820 1 1 342 . 18 1 1 A 93 93 ASP N N 108 115.482 120.213 -4.731 1 1 343 . 18 1 1 A 94 94 GLY H H 109 6.947 7.748 -0.801 1 1 344 . 18 1 1 A 94 94 GLY CA C 109 44.385 63.214 -18.829 1 1 345 . 18 1 1 A 94 94 GLY N N 109 106.691 123.678 -16.987 1 1 346 . 18 1 1 A 95 95 GLY H H 110 8.423 8.396 0.027 1 1 347 . 18 1 1 A 95 95 GLY CA C 110 45.873 53.744 -7.871 1 1 348 . 18 1 1 A 95 95 GLY N N 110 107.178 127.123 -19.945 1 1 350 . 18 1 1 A 96 96 TYR CA C 111 55.619 63.309 -7.690 1 1 351 . 18 1 1 A 96 96 TYR CB C 111 38.312 30.137 8.175 1 1 352 . 18 1 1 A 96 96 TYR N N 111 116.246 141.815 -25.569 1 1 353 . 18 1 1 A 97 97 ILE H H 112 7.878 9.535 -1.657 1 1 354 . 18 1 1 A 97 97 ILE CA C 112 58.650 57.950 0.700 1 1 355 . 18 1 1 A 97 97 ILE N N 112 113.713 119.896 -6.183 1 1 356 . 18 1 1 A 98 98 PRO CA C 113 62.337 60.351 1.986 1 1 357 . 18 1 1 A 98 98 PRO CB C 113 34.315 37.613 -3.298 1 1 358 . 18 1 1 A 99 99 ARG H H 114 8.514 8.397 0.117 1 1 359 . 18 1 1 A 99 99 ARG CA C 114 54.460 58.929 -4.469 1 1 360 . 18 1 1 A 99 99 ARG CB C 114 34.399 38.176 -3.777 1 1 361 . 18 1 1 A 99 99 ARG N N 114 117.550 126.578 -9.028 1 1 362 . 18 1 1 A 100 100 ILE H H 115 8.819 8.696 0.123 1 1 363 . 18 1 1 A 100 100 ILE CA C 115 60.937 55.685 5.252 1 1 364 . 18 1 1 A 100 100 ILE CB C 115 39.021 39.823 -0.802 1 1 365 . 18 1 1 A 100 100 ILE N N 115 122.056 120.399 1.657 1 1 366 . 18 1 1 A 101 101 LEU H H 116 8.692 8.147 0.545 1 1 367 . 18 1 1 A 101 101 LEU CA C 116 52.377 58.420 -6.043 1 1 368 . 18 1 1 A 101 101 LEU CB C 116 46.493 29.252 17.241 1 1 369 . 18 1 1 A 101 101 LEU N N 116 127.243 118.535 8.708 1 1 370 . 18 1 1 A 102 102 PHE H H 117 9.004 8.192 0.812 1 1 371 . 18 1 1 A 102 102 PHE CA C 117 57.076 53.033 4.043 1 1 372 . 18 1 1 A 102 102 PHE CB C 117 42.048 38.698 3.350 1 1 373 . 18 1 1 A 102 102 PHE N N 117 116.784 117.047 -0.263 1 1 374 . 18 1 1 A 103 103 LEU H H 118 9.303 8.254 1.049 1 1 375 . 18 1 1 A 103 103 LEU CA C 118 53.487 46.980 6.507 1 1 377 . 18 1 1 A 103 103 LEU N N 118 124.741 108.599 16.142 1 1 378 . 18 1 1 A 104 104 ASP H H 119 8.351 7.843 0.508 1 1 379 . 18 1 1 A 104 104 ASP CA C 119 52.555 50.309 2.246 1 1 380 . 18 1 1 A 104 104 ASP CB C 119 39.406 42.365 -2.959 1 1 381 . 18 1 1 A 104 104 ASP N N 119 117.539 115.358 2.181 1 1 382 . 18 1 1 A 105 105 PRO CA C 120 65.106 63.018 2.088 1 1 383 . 18 1 1 A 105 105 PRO CB C 120 31.459 29.913 1.546 1 1 384 . 18 1 1 A 106 106 SER H H 121 8.229 8.179 0.050 1 1 385 . 18 1 1 A 106 106 SER CA C 121 58.891 57.234 1.657 1 1 386 . 18 1 1 A 106 106 SER CB C 121 64.061 63.878 0.183 1 1 387 . 18 1 1 A 106 106 SER N N 121 111.546 114.905 -3.359 1 1 388 . 18 1 1 A 107 107 GLY H H 122 8.970 8.129 0.841 1 1 389 . 18 1 1 A 107 107 GLY CA C 122 45.417 58.758 -13.341 1 1 390 . 18 1 1 A 107 107 GLY N N 122 111.616 120.387 -8.771 1 1 391 . 18 1 1 A 108 108 LYS H H 123 7.405 8.214 -0.809 1 1 392 . 18 1 1 A 108 108 LYS CA C 123 54.729 58.627 -3.898 1 1 393 . 18 1 1 A 108 108 LYS CB C 123 32.929 31.124 1.805 1 1 394 . 18 1 1 A 108 108 LYS N N 123 120.930 116.983 3.947 1 1 395 . 18 1 1 A 109 109 VAL H H 124 8.875 8.704 0.171 1 1 396 . 18 1 1 A 109 109 VAL CA C 124 64.103 61.048 3.055 1 1 397 . 18 1 1 A 109 109 VAL CB C 124 32.249 38.286 -6.037 1 1 398 . 18 1 1 A 109 109 VAL N N 124 126.925 119.912 7.013 1 1 399 . 18 1 1 A 110 110 HIS H H 125 8.911 8.036 0.875 1 1 400 . 18 1 1 A 110 110 HIS CA C 125 54.469 58.348 -3.879 1 1 401 . 18 1 1 A 110 110 HIS CB C 125 28.893 39.397 -10.504 1 1 402 . 18 1 1 A 110 110 HIS N N 125 127.112 122.780 4.332 1 1 403 . 18 1 1 A 111 111 PRO CA C 126 63.311 57.123 6.188 1 1 404 . 18 1 1 A 111 111 PRO CB C 126 32.232 40.966 -8.734 1 1 405 . 18 1 1 A 112 112 GLU H H 127 10.959 8.391 2.568 1 1 406 . 18 1 1 A 112 112 GLU CA C 127 57.439 61.230 -3.791 1 1 407 . 18 1 1 A 112 112 GLU CB C 127 27.174 33.755 -6.581 1 1 408 . 18 1 1 A 112 112 GLU N N 127 123.144 117.109 6.035 1 1 409 . 18 1 1 A 113 113 ILE H H 128 7.493 8.804 -1.311 1 1 410 . 18 1 1 A 113 113 ILE CA C 128 61.518 57.742 3.776 1 1 411 . 18 1 1 A 113 113 ILE CB C 128 35.365 64.887 -29.522 1 1 412 . 18 1 1 A 113 113 ILE N N 128 123.479 119.304 4.175 1 1 413 . 18 1 1 A 114 114 ILE H H 129 8.300 8.809 -0.509 1 1 414 . 18 1 1 A 114 114 ILE CA C 129 59.109 54.354 4.755 1 1 415 . 18 1 1 A 114 114 ILE CB C 129 42.309 18.350 23.959 1 1 416 . 18 1 1 A 114 114 ILE N N 129 123.439 126.210 -2.771 1 1 417 . 18 1 1 A 115 115 ASN H H 130 8.622 7.998 0.624 1 1 420 . 18 1 1 A 115 115 ASN CA C 130 51.381 59.321 -7.940 1 1 421 . 18 1 1 A 115 115 ASN CB C 130 35.215 29.527 5.688 1 1 422 . 18 1 1 A 115 115 ASN N N 130 114.712 119.021 -4.309 1 1 424 . 18 1 1 A 116 116 GLU H H 131 8.463 7.534 0.929 1 1 425 . 18 1 1 A 116 116 GLU CA C 131 58.882 58.701 0.181 1 1 426 . 18 1 1 A 116 116 GLU CB C 131 29.606 28.011 1.595 1 1 427 . 18 1 1 A 116 116 GLU N N 131 127.900 118.360 9.540 1 1 428 . 18 1 1 A 117 117 ASN H H 132 7.545 7.167 0.378 1 1 431 . 18 1 1 A 117 117 ASN CA C 132 52.960 65.501 -12.541 1 1 432 . 18 1 1 A 117 117 ASN CB C 132 39.777 31.581 8.196 1 1 433 . 18 1 1 A 117 117 ASN N N 132 113.958 116.171 -2.213 1 1 435 . 18 1 1 A 118 118 GLY H H 133 7.109 7.295 -0.186 1 1 436 . 18 1 1 A 118 118 GLY CA C 133 44.662 64.934 -20.272 1 1 437 . 18 1 1 A 118 118 GLY N N 133 107.288 122.162 -14.874 1 1 438 . 18 1 1 A 119 119 ASN H H 134 8.795 8.175 0.620 1 1 441 . 18 1 1 A 119 119 ASN CA C 134 50.277 57.773 -7.496 1 1 442 . 18 1 1 A 119 119 ASN CB C 134 40.102 27.524 12.578 1 1 443 . 18 1 1 A 119 119 ASN N N 134 122.889 119.653 3.236 1 1 445 . 18 1 1 A 120 120 PRO CA C 135 64.320 46.605 17.715 1 1 447 . 18 1 1 A 121 121 SER H H 136 8.260 7.974 0.286 1 1 448 . 18 1 1 A 121 121 SER CA C 136 60.199 58.289 1.910 1 1 449 . 18 1 1 A 121 121 SER CB C 136 63.228 32.232 30.996 1 1 450 . 18 1 1 A 121 121 SER N N 136 113.554 121.229 -7.675 1 1 451 . 18 1 1 A 122 122 TYR H H 137 7.580 8.340 -0.760 1 1 452 . 18 1 1 A 122 122 TYR CA C 137 54.584 58.377 -3.793 1 1 453 . 18 1 1 A 122 122 TYR CB C 137 38.872 31.449 7.423 1 1 454 . 18 1 1 A 122 122 TYR N N 137 119.864 118.117 1.747 1 1 455 . 18 1 1 A 123 123 LYS H H 138 9.556 8.071 1.485 1 1 456 . 18 1 1 A 123 123 LYS CA C 138 60.415 58.856 1.559 1 1 457 . 18 1 1 A 123 123 LYS CB C 138 31.945 29.729 2.216 1 1 458 . 18 1 1 A 123 123 LYS N N 138 123.955 119.411 4.544 1 1 459 . 18 1 1 A 124 124 TYR H H 139 8.486 7.536 0.950 1 1 460 . 18 1 1 A 124 124 TYR CA C 139 56.009 54.473 1.536 1 1 461 . 18 1 1 A 124 124 TYR CB C 139 37.666 17.971 19.695 1 1 462 . 18 1 1 A 124 124 TYR N N 139 113.738 121.890 -8.152 1 1 463 . 18 1 1 A 125 125 PHE H H 140 7.562 7.604 -0.042 1 1 464 . 18 1 1 A 125 125 PHE CA C 140 56.561 58.357 -1.796 1 1 465 . 18 1 1 A 125 125 PHE CB C 140 40.897 28.438 12.459 1 1 466 . 18 1 1 A 125 125 PHE N N 140 122.592 117.920 4.672 1 1 467 . 18 1 1 A 126 126 TYR H H 141 8.133 8.023 0.110 1 1 468 . 18 1 1 A 126 126 TYR CA C 141 57.326 57.879 -0.553 1 1 469 . 18 1 1 A 126 126 TYR CB C 141 41.768 31.668 10.100 1 1 470 . 18 1 1 A 126 126 TYR N N 141 129.225 119.787 9.438 1 1 471 . 18 1 1 A 127 127 VAL H H 142 8.081 7.650 0.431 1 1 472 . 18 1 1 A 127 127 VAL CA C 142 61.414 58.055 3.359 1 1 473 . 18 1 1 A 127 127 VAL CB C 142 34.245 29.993 4.252 1 1 474 . 18 1 1 A 127 127 VAL N N 142 112.892 118.156 -5.264 1 1 475 . 18 1 1 A 128 128 SER H H 143 7.362 7.999 -0.637 1 1 476 . 18 1 1 A 128 128 SER CA C 143 55.028 56.769 -1.741 1 1 477 . 18 1 1 A 128 128 SER CB C 143 67.261 42.650 24.611 1 1 478 . 18 1 1 A 128 128 SER N N 143 112.848 120.254 -7.406 1 1 479 . 18 1 1 A 129 129 ALA H H 144 9.331 8.173 1.158 1 1 480 . 18 1 1 A 129 129 ALA CA C 144 55.568 65.147 -9.579 1 1 481 . 18 1 1 A 129 129 ALA CB C 144 18.005 68.540 -50.535 1 1 482 . 18 1 1 A 129 129 ALA N N 144 124.250 111.087 13.163 1 1 483 . 18 1 1 A 130 130 GLU H H 145 9.152 8.133 1.019 1 1 484 . 18 1 1 A 130 130 GLU CA C 145 60.626 45.215 15.411 1 1 486 . 18 1 1 A 130 130 GLU N N 145 116.980 110.634 6.346 1 1 487 . 18 1 1 A 131 131 GLN H H 146 7.621 8.180 -0.559 1 1 490 . 18 1 1 A 131 131 GLN CA C 146 58.552 53.318 5.234 1 1 491 . 18 1 1 A 131 131 GLN CB C 146 29.038 41.972 -12.934 1 1 492 . 18 1 1 A 131 131 GLN N N 146 117.565 120.371 -2.806 1 1 494 . 18 1 1 A 132 132 VAL H H 147 7.780 7.872 -0.092 1 1 495 . 18 1 1 A 132 132 VAL CA C 147 66.928 54.252 12.676 1 1 496 . 18 1 1 A 132 132 VAL CB C 147 31.324 18.744 12.580 1 1 497 . 18 1 1 A 132 132 VAL N N 147 121.486 122.304 -0.818 1 1 498 . 18 1 1 A 133 133 VAL H H 148 8.609 7.975 0.634 1 1 499 . 18 1 1 A 133 133 VAL CA C 148 67.053 60.731 6.322 1 1 500 . 18 1 1 A 133 133 VAL CB C 148 31.927 37.546 -5.619 1 1 501 . 18 1 1 A 133 133 VAL N N 148 119.560 114.125 5.435 1 1 502 . 18 1 1 A 134 134 GLN H H 149 7.365 6.790 0.575 1 1 505 . 18 1 1 A 134 134 GLN CA C 149 59.382 55.381 4.001 1 1 506 . 18 1 1 A 134 134 GLN CB C 149 27.860 30.960 -3.100 1 1 507 . 18 1 1 A 134 134 GLN N N 149 117.080 120.566 -3.486 1 1 509 . 18 1 1 A 135 135 GLY H H 150 8.085 8.405 -0.320 1 1 510 . 18 1 1 A 135 135 GLY CA C 150 47.499 56.407 -8.908 1 1 511 . 18 1 1 A 135 135 GLY N N 150 107.849 120.309 -12.460 1 1 512 . 18 1 1 A 136 136 MET H H 151 8.593 8.556 0.037 1 1 513 . 18 1 1 A 136 136 MET CA C 151 59.730 55.551 4.179 1 1 514 . 18 1 1 A 136 136 MET CB C 151 35.435 33.880 1.555 1 1 515 . 18 1 1 A 136 136 MET N N 151 119.390 121.938 -2.548 1 1 516 . 18 1 1 A 137 137 LYS H H 152 8.591 9.012 -0.421 1 1 517 . 18 1 1 A 137 137 LYS CA C 152 60.659 56.151 4.508 1 1 518 . 18 1 1 A 137 137 LYS CB C 152 32.617 31.386 1.231 1 1 519 . 18 1 1 A 137 137 LYS N N 152 119.226 122.321 -3.095 1 1 520 . 18 1 1 A 138 138 GLU H H 153 7.870 8.655 -0.785 1 1 521 . 18 1 1 A 138 138 GLU CA C 153 59.134 54.343 4.791 1 1 522 . 18 1 1 A 138 138 GLU CB C 153 28.879 45.986 -17.107 1 1 523 . 18 1 1 A 138 138 GLU N N 153 120.709 121.140 -0.431 1 1 524 . 18 1 1 A 139 139 ALA H H 154 8.493 8.861 -0.368 1 1 525 . 18 1 1 A 139 139 ALA CA C 154 55.450 54.803 0.647 1 1 526 . 18 1 1 A 139 139 ALA CB C 154 18.695 31.902 -13.207 1 1 527 . 18 1 1 A 139 139 ALA N N 154 120.598 124.914 -4.316 1 1 528 . 18 1 1 A 140 140 GLN H H 155 8.582 8.658 -0.076 1 1 531 . 18 1 1 A 140 140 GLN CA C 155 59.239 55.748 3.491 1 1 532 . 18 1 1 A 140 140 GLN CB C 155 28.027 43.127 -15.100 1 1 533 . 18 1 1 A 140 140 GLN N N 155 116.438 121.724 -5.286 1 1 535 . 18 1 1 A 141 141 GLU H H 156 7.563 7.843 -0.280 1 1 536 . 18 1 1 A 141 141 GLU CA C 156 58.896 56.483 2.413 1 1 537 . 18 1 1 A 141 141 GLU CB C 156 29.885 31.127 -1.242 1 1 538 . 18 1 1 A 141 141 GLU N N 156 118.759 117.458 1.301 1 1 1 . 19 1 1 A 7 7 HIS CA C 22 56.307 54.096 2.211 1 1 2 . 19 1 1 A 7 7 HIS CB C 22 30.341 31.428 -1.087 1 1 3 . 19 1 1 A 8 8 MET H H 23 8.449 8.239 0.210 1 1 4 . 19 1 1 A 8 8 MET CA C 23 55.742 61.746 -6.004 1 1 5 . 19 1 1 A 8 8 MET CB C 23 32.842 39.546 -6.704 1 1 6 . 19 1 1 A 8 8 MET N N 23 122.176 122.867 -0.691 1 1 7 . 19 1 1 A 9 9 SER H H 24 8.428 6.730 1.698 1 1 8 . 19 1 1 A 9 9 SER CA C 24 58.412 54.274 4.138 1 1 9 . 19 1 1 A 9 9 SER CB C 24 63.900 27.957 35.943 1 1 10 . 19 1 1 A 9 9 SER N N 24 116.789 116.909 -0.120 1 1 11 . 19 1 1 A 10 10 ASP H H 25 8.382 7.161 1.221 1 1 12 . 19 1 1 A 10 10 ASP CA C 25 54.487 56.511 -2.024 1 1 13 . 19 1 1 A 10 10 ASP CB C 25 41.285 31.069 10.216 1 1 14 . 19 1 1 A 10 10 ASP N N 25 122.384 118.179 4.205 1 1 15 . 19 1 1 A 11 11 GLY H H 26 8.363 7.386 0.977 1 1 16 . 19 1 1 A 11 11 GLY CA C 26 45.546 58.374 -12.828 1 1 17 . 19 1 1 A 11 11 GLY N N 26 108.671 120.842 -12.171 1 1 18 . 19 1 1 A 12 12 HIS H H 27 8.350 6.984 1.366 1 1 19 . 19 1 1 A 12 12 HIS CA C 27 56.103 61.058 -4.955 1 1 20 . 19 1 1 A 12 12 HIS CB C 27 29.813 71.193 -41.380 1 1 21 . 19 1 1 A 12 12 HIS N N 27 118.814 109.033 9.781 1 1 22 . 19 1 1 A 13 13 ASN H H 28 8.505 8.634 -0.129 1 1 25 . 19 1 1 A 13 13 ASN CA C 28 53.482 57.402 -3.920 1 1 26 . 19 1 1 A 13 13 ASN CB C 28 39.386 42.642 -3.256 1 1 27 . 19 1 1 A 13 13 ASN N N 28 119.523 127.631 -8.108 1 1 29 . 19 1 1 A 14 14 GLY H H 29 8.743 8.292 0.451 1 1 30 . 19 1 1 A 14 14 GLY CA C 29 45.534 59.780 -14.246 1 1 31 . 19 1 1 A 14 14 GLY N N 29 110.136 119.296 -9.160 1 1 32 . 19 1 1 A 15 15 LEU H H 30 8.466 7.970 0.496 1 1 33 . 19 1 1 A 15 15 LEU CA C 30 56.146 56.708 -0.562 1 1 34 . 19 1 1 A 15 15 LEU CB C 30 42.864 40.427 2.437 1 1 35 . 19 1 1 A 15 15 LEU N N 30 120.511 118.902 1.609 1 1 36 . 19 1 1 A 16 16 GLY H H 31 8.886 8.406 0.480 1 1 37 . 19 1 1 A 16 16 GLY CA C 31 47.064 47.118 -0.054 1 1 38 . 19 1 1 A 16 16 GLY N N 31 108.073 109.545 -1.472 1 1 39 . 19 1 1 A 17 17 LYS H H 32 7.854 8.131 -0.277 1 1 40 . 19 1 1 A 17 17 LYS CA C 32 55.661 59.129 -3.468 1 1 41 . 19 1 1 A 17 17 LYS CB C 32 29.379 32.318 -2.939 1 1 42 . 19 1 1 A 17 17 LYS N N 32 110.952 119.830 -8.878 1 1 43 . 19 1 1 A 18 18 GLY H H 33 8.095 7.676 0.419 1 1 44 . 19 1 1 A 18 18 GLY CA C 33 44.893 59.550 -14.657 1 1 45 . 19 1 1 A 18 18 GLY N N 33 103.957 119.597 -15.640 1 1 46 . 19 1 1 A 19 19 PHE H H 34 7.887 8.156 -0.269 1 1 47 . 19 1 1 A 19 19 PHE CA C 34 61.146 58.910 2.236 1 1 48 . 19 1 1 A 19 19 PHE CB C 34 38.963 29.009 9.954 1 1 49 . 19 1 1 A 19 19 PHE N N 34 117.883 118.555 -0.672 1 1 50 . 19 1 1 A 20 20 GLY H H 35 7.696 7.794 -0.098 1 1 51 . 19 1 1 A 20 20 GLY CA C 35 45.189 54.877 -9.688 1 1 52 . 19 1 1 A 20 20 GLY N N 35 102.668 121.547 -18.879 1 1 53 . 19 1 1 A 21 21 ASP H H 36 9.284 7.600 1.684 1 1 54 . 19 1 1 A 21 21 ASP CA C 36 56.026 54.995 1.031 1 1 55 . 19 1 1 A 21 21 ASP CB C 36 40.543 18.279 22.264 1 1 56 . 19 1 1 A 21 21 ASP N N 36 129.289 120.440 8.849 1 1 57 . 19 1 1 A 22 22 HIS H H 37 9.058 7.808 1.250 1 1 58 . 19 1 1 A 22 22 HIS CA C 37 56.628 55.229 1.399 1 1 59 . 19 1 1 A 22 22 HIS CB C 37 29.941 18.788 11.153 1 1 60 . 19 1 1 A 22 22 HIS N N 37 116.742 120.767 -4.025 1 1 61 . 19 1 1 A 23 23 ILE H H 38 6.449 7.474 -1.025 1 1 62 . 19 1 1 A 23 23 ILE CA C 38 59.183 59.784 -0.601 1 1 63 . 19 1 1 A 23 23 ILE CB C 38 39.408 64.520 -25.112 1 1 64 . 19 1 1 A 23 23 ILE N N 38 124.704 110.382 14.322 1 1 65 . 19 1 1 A 24 24 HIS H H 39 7.857 8.586 -0.729 1 1 66 . 19 1 1 A 24 24 HIS CA C 39 52.931 46.342 6.589 1 1 68 . 19 1 1 A 24 24 HIS N N 39 124.600 111.365 13.235 1 1 69 . 19 1 1 A 25 25 TRP H H 40 8.032 7.536 0.496 1 1 71 . 19 1 1 A 25 25 TRP CA C 40 57.058 51.654 5.404 1 1 72 . 19 1 1 A 25 25 TRP CB C 40 30.411 43.105 -12.694 1 1 73 . 19 1 1 A 25 25 TRP N N 40 130.002 117.303 12.699 1 1 76 . 19 1 1 A 26 26 ARG CA C 41 54.500 62.273 -7.773 1 1 77 . 19 1 1 A 26 26 ARG CB C 41 35.055 33.056 1.999 1 1 78 . 19 1 1 A 26 26 ARG N N 41 122.005 136.509 -14.504 1 1 79 . 19 1 1 A 27 27 THR H H 42 8.562 7.955 0.607 1 1 80 . 19 1 1 A 27 27 THR CA C 42 61.294 52.491 8.803 1 1 81 . 19 1 1 A 27 27 THR CB C 42 70.325 46.026 24.299 1 1 82 . 19 1 1 A 27 27 THR N N 42 111.261 116.593 -5.332 1 1 83 . 19 1 1 A 28 28 LEU H H 43 8.994 8.860 0.134 1 1 84 . 19 1 1 A 28 28 LEU CA C 43 59.121 53.622 5.499 1 1 85 . 19 1 1 A 28 28 LEU CB C 43 41.515 34.962 6.553 1 1 86 . 19 1 1 A 28 28 LEU N N 43 121.976 120.732 1.244 1 1 87 . 19 1 1 A 29 29 GLU H H 44 8.759 8.969 -0.210 1 1 88 . 19 1 1 A 29 29 GLU CA C 44 59.928 61.672 -1.744 1 1 89 . 19 1 1 A 29 29 GLU CB C 44 29.342 34.538 -5.196 1 1 90 . 19 1 1 A 29 29 GLU N N 44 116.492 121.496 -5.004 1 1 91 . 19 1 1 A 30 30 ASP H H 45 7.692 9.323 -1.631 1 1 92 . 19 1 1 A 30 30 ASP CA C 45 57.131 60.485 -3.354 1 1 93 . 19 1 1 A 30 30 ASP CB C 45 40.093 37.982 2.111 1 1 94 . 19 1 1 A 30 30 ASP N N 45 119.105 128.249 -9.144 1 1 95 . 19 1 1 A 31 31 GLY H H 46 9.224 9.169 0.055 1 1 96 . 19 1 1 A 31 31 GLY CA C 46 47.426 60.360 -12.934 1 1 97 . 19 1 1 A 31 31 GLY N N 46 111.508 128.582 -17.074 1 1 98 . 19 1 1 A 32 32 LYS H H 47 8.691 8.588 0.103 1 1 99 . 19 1 1 A 32 32 LYS CA C 47 60.968 53.771 7.197 1 1 100 . 19 1 1 A 32 32 LYS CB C 47 32.534 31.280 1.254 1 1 101 . 19 1 1 A 32 32 LYS N N 47 121.519 123.022 -1.503 1 1 102 . 19 1 1 A 33 33 LYS H H 48 7.234 8.264 -1.030 1 1 103 . 19 1 1 A 33 33 LYS CA C 48 59.734 54.381 5.353 1 1 104 . 19 1 1 A 33 33 LYS CB C 48 32.349 35.721 -3.372 1 1 105 . 19 1 1 A 33 33 LYS N N 48 119.937 125.111 -5.174 1 1 106 . 19 1 1 A 34 34 GLU H H 49 8.179 8.447 -0.268 1 1 107 . 19 1 1 A 34 34 GLU CA C 49 58.911 60.501 -1.590 1 1 108 . 19 1 1 A 34 34 GLU CB C 49 29.393 61.473 -32.080 1 1 109 . 19 1 1 A 34 34 GLU N N 49 121.748 112.240 9.508 1 1 110 . 19 1 1 A 35 35 ALA H H 50 9.142 8.062 1.080 1 1 111 . 19 1 1 A 35 35 ALA CA C 50 56.068 57.728 -1.660 1 1 112 . 19 1 1 A 35 35 ALA CB C 50 19.504 29.645 -10.141 1 1 113 . 19 1 1 A 35 35 ALA N N 50 125.093 121.335 3.758 1 1 114 . 19 1 1 A 36 36 ALA H H 51 7.548 8.881 -1.333 1 1 115 . 19 1 1 A 36 36 ALA CA C 51 54.765 57.992 -3.227 1 1 116 . 19 1 1 A 36 36 ALA CB C 51 18.095 31.318 -13.223 1 1 117 . 19 1 1 A 36 36 ALA N N 51 118.057 119.025 -0.968 1 1 118 . 19 1 1 A 37 37 ALA H H 52 7.517 8.768 -1.251 1 1 119 . 19 1 1 A 37 37 ALA CA C 52 54.200 46.183 8.017 1 1 121 . 19 1 1 A 37 37 ALA N N 52 118.541 114.069 4.472 1 1 122 . 19 1 1 A 38 38 SER H H 53 8.330 8.303 0.027 1 1 123 . 19 1 1 A 38 38 SER CA C 53 59.095 54.323 4.772 1 1 124 . 19 1 1 A 38 38 SER CB C 53 65.540 18.491 47.049 1 1 125 . 19 1 1 A 38 38 SER N N 53 110.905 124.457 -13.552 1 1 126 . 19 1 1 A 39 39 GLY H H 54 8.454 7.484 0.970 1 1 127 . 19 1 1 A 39 39 GLY CA C 54 46.559 61.021 -14.462 1 1 128 . 19 1 1 A 39 39 GLY N N 54 112.427 116.075 -3.648 1 1 129 . 19 1 1 A 40 40 LEU H H 55 7.580 8.052 -0.472 1 1 130 . 19 1 1 A 40 40 LEU CA C 55 51.891 58.836 -6.945 1 1 131 . 19 1 1 A 40 40 LEU CB C 55 43.061 32.145 10.916 1 1 132 . 19 1 1 A 40 40 LEU N N 55 121.312 120.107 1.205 1 1 133 . 19 1 1 A 41 41 PRO CA C 56 61.426 54.344 7.082 1 1 134 . 19 1 1 A 41 41 PRO CB C 56 32.878 18.856 14.022 1 1 135 . 19 1 1 A 42 42 LEU H H 57 8.447 8.113 0.334 1 1 136 . 19 1 1 A 42 42 LEU CA C 57 55.025 58.485 -3.460 1 1 137 . 19 1 1 A 42 42 LEU CB C 57 44.360 41.375 2.985 1 1 138 . 19 1 1 A 42 42 LEU N N 57 116.186 120.869 -4.683 1 1 139 . 19 1 1 A 43 43 MET H H 58 8.610 7.696 0.914 1 1 140 . 19 1 1 A 43 43 MET CA C 58 54.951 59.326 -4.375 1 1 141 . 19 1 1 A 43 43 MET CB C 58 34.319 31.678 2.641 1 1 142 . 19 1 1 A 43 43 MET N N 58 124.827 116.753 8.074 1 1 144 . 19 1 1 A 44 44 VAL CA C 59 60.237 65.002 -4.765 1 1 145 . 19 1 1 A 44 44 VAL CB C 59 34.052 31.429 2.623 1 1 146 . 19 1 1 A 44 44 VAL N N 59 125.176 134.370 -9.194 1 1 147 . 19 1 1 A 45 45 ILE H H 60 8.512 8.049 0.463 1 1 148 . 19 1 1 A 45 45 ILE CA C 60 60.138 59.181 0.957 1 1 149 . 19 1 1 A 45 45 ILE CB C 60 40.622 32.981 7.641 1 1 150 . 19 1 1 A 45 45 ILE N N 60 125.614 118.583 7.031 1 1 151 . 19 1 1 A 46 46 ILE H H 61 9.528 8.451 1.077 1 1 152 . 19 1 1 A 46 46 ILE CA C 61 61.356 61.548 -0.192 1 1 153 . 19 1 1 A 46 46 ILE CB C 61 39.017 39.515 -0.498 1 1 154 . 19 1 1 A 46 46 ILE N N 61 130.237 120.754 9.483 1 1 155 . 19 1 1 A 47 47 HIS H H 62 8.926 7.933 0.993 1 1 156 . 19 1 1 A 47 47 HIS CA C 62 54.153 55.072 -0.919 1 1 157 . 19 1 1 A 47 47 HIS CB C 62 35.638 18.484 17.154 1 1 158 . 19 1 1 A 47 47 HIS N N 62 121.634 121.078 0.556 1 1 159 . 19 1 1 A 48 48 LYS H H 63 7.798 8.464 -0.666 1 1 160 . 19 1 1 A 48 48 LYS CA C 63 52.412 58.511 -6.099 1 1 161 . 19 1 1 A 48 48 LYS CB C 63 33.666 29.248 4.418 1 1 162 . 19 1 1 A 48 48 LYS N N 63 116.188 118.704 -2.516 1 1 163 . 19 1 1 A 49 49 SER H H 64 10.807 9.097 1.710 1 1 164 . 19 1 1 A 49 49 SER CA C 64 60.779 60.438 0.341 1 1 165 . 19 1 1 A 49 49 SER CB