data_15193_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15193
_Entry.PDB_ID 2KAO
_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 20
_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 3 3 PHE HA H 3 4.650 4.523 0.127 1
1 4 . 1 1 1 A 3 3 PHE C C 3 174.500 173.396 1.104 1
1 5 . 1 1 1 A 3 3 PHE CA C 3 57.800 60.068 -2.268 1
1 6 . 1 1 1 A 3 3 PHE CB C 3 39.600 38.151 1.449 1
1 7 . 1 1 1 A 4 4 CYS H H 4 8.270 8.636 -0.366 1
1 8 . 1 1 1 A 4 4 CYS HA H 4 4.380 5.269 -0.889 1
1 11 . 1 1 1 A 4 4 CYS C C 4 173.800 172.996 0.804 1
1 12 . 1 1 1 A 4 4 CYS CA C 4 58.100 58.736 -0.636 1
1 13 . 1 1 1 A 4 4 CYS CB C 4 28.100 31.271 -3.171 1
1 14 . 1 1 1 A 4 4 CYS N N 4 122.600 120.392 2.208 1
1 15 . 1 1 1 A 5 5 SER H H 5 8.250 8.961 -0.711 1
1 16 . 1 1 1 A 5 5 SER HA H 5 4.270 5.086 -0.816 1
1 19 . 1 1 1 A 5 5 SER C C 5 173.700 172.576 1.124 1
1 20 . 1 1 1 A 5 5 SER CA C 5 58.300 57.596 0.704 1
1 21 . 1 1 1 A 5 5 SER CB C 5 63.700 66.156 -2.456 1
1 22 . 1 1 1 A 5 5 SER N N 5 119.600 119.653 -0.053 1
1 23 . 1 1 1 A 6 6 PHE H H 6 8.010 8.620 -0.610 1
1 24 . 1 1 1 A 6 6 PHE HA H 6 4.560 5.704 -1.144 1
1 28 . 1 1 1 A 6 6 PHE C C 6 173.700 173.812 -0.112 1
1 29 . 1 1 1 A 6 6 PHE CA C 6 57.600 55.772 1.828 1
1 30 . 1 1 1 A 6 6 PHE CB C 6 39.700 42.635 -2.935 1
1 31 . 1 1 1 A 6 6 PHE N N 6 122.500 120.936 1.564 1
1 32 . 1 1 1 A 7 7 PHE H H 7 8.230 8.727 -0.497 1
1 33 . 1 1 1 A 7 7 PHE HA H 7 4.530 4.962 -0.432 1
1 36 . 1 1 1 A 7 7 PHE C C 7 175.800 174.305 1.495 1
1 37 . 1 1 1 A 7 7 PHE CA C 7 57.600 57.944 -0.344 1
1 38 . 1 1 1 A 7 7 PHE CB C 7 39.700 40.893 -1.193 1
1 39 . 1 1 1 A 7 7 PHE N N 7 123.000 120.186 2.814 1
1 40 . 1 1 1 A 8 8 GLY H H 8 7.870 8.543 -0.673 1
1 41 . 1 1 1 A 8 8 GLY HA2 H 8 3.800 4.080 -0.280 1
1 42 . 1 1 1 A 8 8 GLY HA3 H 8 3.750 4.112 -0.362 1
1 43 . 1 1 1 A 8 8 GLY C C 8 174.300 174.626 -0.326 1
1 44 . 1 1 1 A 8 8 GLY CA C 8 45.300 46.458 -1.158 1
1 45 . 1 1 1 A 8 8 GLY N N 8 111.200 112.351 -1.151 1
1 46 . 1 1 1 A 9 9 GLY H H 9 7.930 7.773 0.157 1
1 47 . 1 1 1 A 9 9 GLY HA2 H 9 3.920 4.285 -0.365 1
1 48 . 1 1 1 A 9 9 GLY HA3 H 9 3.850 4.298 -0.448 1
1 49 . 1 1 1 A 9 9 GLY C C 9 175.200 172.134 3.066 1
1 50 . 1 1 1 A 9 9 GLY CA C 9 45.100 46.163 -1.063 1
1 51 . 1 1 1 A 9 9 GLY N N 9 108.400 104.822 3.578 1
1 52 . 1 1 1 A 10 10 GLU H H 10 8.400 8.602 -0.202 1
1 53 . 1 1 1 A 10 10 GLU HA H 10 4.360 5.002 -0.642 1
1 58 . 1 1 1 A 10 10 GLU C C 10 178.400 176.991 1.409 1
1 59 . 1 1 1 A 10 10 GLU CA C 10 54.700 54.721 -0.021 1
1 60 . 1 1 1 A 10 10 GLU CB C 10 36.700 33.293 3.407 1
1 62 . 1 1 1 A 10 10 GLU N N 10 122.600 122.055 0.545 1
1 63 . 1 1 1 A 11 11 VAL H H 11 7.940 8.547 -0.607 1
1 64 . 1 1 1 A 11 11 VAL HA H 11 3.680 4.218 -0.538 1
1 72 . 1 1 1 A 11 11 VAL C C 11 176.600 176.362 0.238 1
1 73 . 1 1 1 A 11 11 VAL CA C 11 63.800 62.135 1.665 1
1 74 . 1 1 1 A 11 11 VAL CB C 11 31.200 31.951 -0.751 1
1 77 . 1 1 1 A 11 11 VAL N N 11 120.300 123.486 -3.186 1
1 78 . 1 1 1 A 12 12 PHE H H 12 7.730 8.474 -0.744 1
1 79 . 1 1 1 A 12 12 PHE HA H 12 5.200 4.415 0.785 1
1 83 . 1 1 1 A 12 12 PHE C C 12 177.100 177.252 -0.152 1
1 84 . 1 1 1 A 12 12 PHE CA C 12 55.700 59.794 -4.094 1
1 85 . 1 1 1 A 12 12 PHE CB C 12 38.200 37.938 0.262 1
1 86 . 1 1 1 A 12 12 PHE N N 12 113.700 121.128 -7.428 1
1 87 . 1 1 1 A 13 13 GLN H H 13 8.080 7.768 0.312 1
1 88 . 1 1 1 A 13 13 GLN HA H 13 3.270 3.506 -0.236 1
1 95 . 1 1 1 A 13 13 GLN C C 13 175.400 177.314 -1.914 1
1 96 . 1 1 1 A 13 13 GLN CA C 13 62.100 58.204 3.896 1
1 97 . 1 1 1 A 13 13 GLN CB C 13 27.100 27.795 -0.695 1
1 99 . 1 1 1 A 13 13 GLN N N 13 126.400 121.066 5.334 1
1 100 . 1 1 1 A 14 14 ASN H H 14 8.580 7.582 0.998 1
1 101 . 1 1 1 A 14 14 ASN HA H 14 5.010 4.997 0.013 1
1 106 . 1 1 1 A 14 14 ASN C C 14 173.000 175.567 -2.567 1
1 107 . 1 1 1 A 14 14 ASN CA C 14 51.500 54.356 -2.856 1
1 108 . 1 1 1 A 14 14 ASN CB C 14 37.900 39.408 -1.508 1
1 109 . 1 1 1 A 14 14 ASN N N 14 115.900 116.059 -0.159 1
1 111 . 1 1 1 A 15 15 HIS H H 15 6.070 7.551 -1.481 1
1 112 . 1 1 1 A 15 15 HIS HA H 15 4.370 4.701 -0.331 1
1 117 . 1 1 1 A 15 15 HIS C C 15 174.400 175.739 -1.339 1
1 118 . 1 1 1 A 15 15 HIS CA C 15 56.600 55.854 0.746 1
1 119 . 1 1 1 A 15 15 HIS CB C 15 33.400 29.578 3.822 1
1 120 . 1 1 1 A 15 15 HIS N N 15 120.500 118.221 2.279 1
1 121 . 1 1 1 A 16 16 PHE H H 16 8.880 8.417 0.463 1
1 122 . 1 1 1 A 16 16 PHE HA H 16 4.870 4.868 0.002 1
1 125 . 1 1 1 A 16 16 PHE C C 16 174.300 175.211 -0.911 1
1 126 . 1 1 1 A 16 16 PHE CA C 16 57.100 56.840 0.260 1
1 127 . 1 1 1 A 16 16 PHE CB C 16 39.700 39.861 -0.161 1
1 128 . 1 1 1 A 16 16 PHE N N 16 127.200 119.811 7.389 1
1 129 . 1 1 1 A 17 17 GLU H H 17 5.780 7.760 -1.980 1
1 130 . 1 1 1 A 17 17 GLU HA H 17 4.500 4.535 -0.035 1
1 135 . 1 1 1 A 17 17 GLU C C 17 174.300 174.276 0.024 1
1 136 . 1 1 1 A 17 17 GLU CA C 17 53.500 54.298 -0.798 1
1 137 . 1 1 1 A 17 17 GLU CB C 17 30.700 28.779 1.921 1
1 139 . 1 1 1 A 17 17 GLU N N 17 119.900 120.376 -0.476 1
1 140 . 1 1 1 A 18 18 PRO HA H 18 4.630 4.650 -0.020 1
1 147 . 1 1 1 A 18 18 PRO C C 18 178.100 175.801 2.299 1
1 148 . 1 1 1 A 18 18 PRO CA C 18 62.700 62.960 -0.260 1
1 149 . 1 1 1 A 18 18 PRO CB C 18 31.400 33.107 -1.707 1
1 152 . 1 1 1 A 19 19 GLY H H 19 8.820 8.251 0.569 1
1 153 . 1 1 1 A 19 19 GLY HA2 H 19 4.500 3.678 0.822 1
1 154 . 1 1 1 A 19 19 GLY HA3 H 19 3.630 3.974 -0.344 1
1 155 . 1 1 1 A 19 19 GLY C C 19 171.000 171.354 -0.354 1
1 156 . 1 1 1 A 19 19 GLY CA C 19 46.200 44.693 1.507 1
1 157 . 1 1 1 A 19 19 GLY N N 19 111.300 106.831 4.469 1
1 158 . 1 1 1 A 20 20 VAL H H 20 8.070 7.808 0.262 1
1 159 . 1 1 1 A 20 20 VAL HA H 20 4.750 4.924 -0.174 1
1 167 . 1 1 1 A 20 20 VAL C C 20 172.300 173.586 -1.286 1
1 168 . 1 1 1 A 20 20 VAL CA C 20 60.200 59.976 0.224 1
1 169 . 1 1 1 A 20 20 VAL CB C 20 36.100 35.381 0.719 1
1 172 . 1 1 1 A 20 20 VAL N N 20 120.700 119.131 1.569 1
1 173 . 1 1 1 A 21 21 TYR H H 21 9.560 8.653 0.907 1
1 174 . 1 1 1 A 21 21 TYR HA H 21 5.230 5.386 -0.156 1
1 177 . 1 1 1 A 21 21 TYR C C 21 175.600 175.094 0.506 1
1 178 . 1 1 1 A 21 21 TYR CA C 21 56.800 55.928 0.872 1
1 179 . 1 1 1 A 21 21 TYR CB C 21 39.200 42.041 -2.841 1
1 180 . 1 1 1 A 21 21 TYR N N 21 123.200 122.195 1.005 1
1 181 . 1 1 1 A 22 22 VAL H H 22 9.400 8.761 0.639 1
1 182 . 1 1 1 A 22 22 VAL HA H 22 4.950 4.916 0.034 1
1 190 . 1 1 1 A 22 22 VAL C C 22 174.000 174.327 -0.327 1
1 191 . 1 1 1 A 22 22 VAL CA C 22 57.100 59.263 -2.163 1
1 192 . 1 1 1 A 22 22 VAL CB C 22 33.900 36.005 -2.105 1
1 195 . 1 1 1 A 22 22 VAL N N 22 119.100 116.461 2.639 1
1 196 . 1 1 1 A 23 23 CYS H H 23 9.020 8.753 0.267 1
1 197 . 1 1 1 A 23 23 CYS HA H 23 4.260 4.684 -0.424 1
1 200 . 1 1 1 A 23 23 CYS C C 23 178.700 175.853 2.847 1
1 201 . 1 1 1 A 23 23 CYS CA C 23 60.600 59.252 1.348 1
1 202 . 1 1 1 A 23 23 CYS CB C 23 31.700 28.477 3.223 1
1 203 . 1 1 1 A 23 23 CYS N N 23 123.800 122.390 1.410 1
1 204 . 1 1 1 A 24 24 ALA H H 24 8.760 8.720 0.040 1
1 205 . 1 1 1 A 24 24 ALA HA H 24 3.840 4.077 -0.237 1
1 209 . 1 1 1 A 24 24 ALA C C 24 177.500 179.433 -1.933 1
1 210 . 1 1 1 A 24 24 ALA CA C 24 55.000 54.903 0.097 1
1 211 . 1 1 1 A 24 24 ALA CB C 24 18.700 18.414 0.286 1
1 212 . 1 1 1 A 24 24 ALA N N 24 131.900 128.837 3.063 1
1 213 . 1 1 1 A 25 25 LYS H H 25 9.200 7.684 1.516 1
1 214 . 1 1 1 A 25 25 LYS HA H 25 4.380 4.454 -0.074 1
1 222 . 1 1 1 A 25 25 LYS C C 25 178.100 178.783 -0.683 1
1 223 . 1 1 1 A 25 25 LYS CA C 25 57.900 58.474 -0.574 1
1 224 . 1 1 1 A 25 25 LYS CB C 25 33.500 33.434 0.066 1
1 228 . 1 1 1 A 25 25 LYS N N 25 120.000 117.449 2.551 1
1 229 . 1 1 1 A 26 26 CYS H H 26 8.730 7.980 0.750 1
1 230 . 1 1 1 A 26 26 CYS HA H 26 5.000 4.280 0.720 1
1 233 . 1 1 1 A 26 26 CYS C C 26 177.000 175.163 1.837 1
1 234 . 1 1 1 A 26 26 CYS CA C 26 59.400 62.211 -2.811 1
1 235 . 1 1 1 A 26 26 CYS CB C 26 32.900 27.404 5.496 1
1 236 . 1 1 1 A 26 26 CYS N N 26 120.900 118.185 2.715 1
1 237 . 1 1 1 A 27 27 SER H H 27 8.170 8.159 0.011 1
1 238 . 1 1 1 A 27 27 SER HA H 27 4.140 4.461 -0.321 1
1 241 . 1 1 1 A 27 27 SER C C 27 174.800 173.970 0.830 1
1 242 . 1 1 1 A 27 27 SER CA C 27 60.900 59.408 1.492 1
1 243 . 1 1 1 A 27 27 SER CB C 27 61.600 61.129 0.471 1
1 244 . 1 1 1 A 27 27 SER N N 27 115.800 115.535 0.265 1
1 245 . 1 1 1 A 28 28 TYR H H 28 9.010 7.877 1.133 1
1 246 . 1 1 1 A 28 28 TYR HA H 28 4.420 4.820 -0.400 1
1 249 . 1 1 1 A 28 28 TYR C C 28 176.600 175.026 1.574 1
1 250 . 1 1 1 A 28 28 TYR CA C 28 59.300 56.793 2.507 1
1 251 . 1 1 1 A 28 28 TYR CB C 28 39.600 39.153 0.447 1
1 252 . 1 1 1 A 28 28 TYR N N 28 127.100 122.690 4.410 1
1 253 . 1 1 1 A 29 29 GLU H H 29 7.730 8.691 -0.961 1
1 254 . 1 1 1 A 29 29 GLU HA H 29 3.670 4.649 -0.979 1
1 259 . 1 1 1 A 29 29 GLU C C 29 174.900 176.635 -1.735 1
1 260 . 1 1 1 A 29 29 GLU CA C 29 58.700 56.987 1.713 1
1 261 . 1 1 1 A 29 29 GLU CB C 29 29.800 29.932 -0.132 1
1 263 . 1 1 1 A 29 29 GLU N N 29 124.500 127.014 -2.514 1
1 264 . 1 1 1 A 30 30 LEU H H 30 7.940 8.895 -0.955 1
1 265 . 1 1 1 A 30 30 LEU HA H 30 4.140 5.001 -0.861 1
1 274 . 1 1 1 A 30 30 LEU C C 30 175.400 175.481 -0.081 1
1 275 . 1 1 1 A 30 30 LEU CA C 30 56.200 53.418 2.782 1
1 276 . 1 1 1 A 30 30 LEU CB C 30 46.700 45.370 1.330 1
1 277 . 1 1 1 A 30 30 LEU N N 30 121.800 121.479 0.321 1
1 278 . 1 1 1 A 31 31 PHE H H 31 7.880 8.700 -0.820 1
1 279 . 1 1 1 A 31 31 PHE HA H 31 4.720 4.689 0.031 1
1 282 . 1 1 1 A 31 31 PHE C C 31 174.600 173.750 0.850 1
1 283 . 1 1 1 A 31 31 PHE CA C 31 56.600 58.256 -1.656 1
1 284 . 1 1 1 A 31 31 PHE CB C 31 45.300 42.127 3.173 1
1 285 . 1 1 1 A 31 31 PHE N N 31 113.300 122.333 -9.033 1
1 286 . 1 1 1 A 32 32 SER H H 32 10.030 8.425 1.605 1
1 287 . 1 1 1 A 32 32 SER HA H 32 4.860 4.482 0.378 1
1 290 . 1 1 1 A 32 32 SER CA C 32 57.000 58.665 -1.665 1
1 291 . 1 1 1 A 32 32 SER CB C 32 63.700 63.468 0.232 1
1 292 . 1 1 1 A 32 32 SER N N 32 118.700 122.035 -3.335 1
1 293 . 1 1 1 A 33 33 SER H H 33 8.990 8.656 0.334 1
1 294 . 1 1 1 A 33 33 SER HA H 33 4.840 4.377 0.463 1
1 297 . 1 1 1 A 33 33 SER C C 33 177.300 175.126 2.174 1
1 298 . 1 1 1 A 33 33 SER CA C 33 63.700 60.090 3.610 1
1 299 . 1 1 1 A 33 33 SER CB C 33 63.700 63.300 0.400 1
1 300 . 1 1 1 A 33 33 SER N N 33 123.100 120.553 2.547 1
1 301 . 1 1 1 A 34 34 HIS HA H 34 4.710 4.682 0.028 1
1 304 . 1 1 1 A 34 34 HIS C C 34 175.800 176.562 -0.762 1
1 305 . 1 1 1 A 34 34 HIS CA C 34 57.900 57.091 0.809 1
1 306 . 1 1 1 A 34 34 HIS CB C 34 28.600 31.203 -2.603 1
1 307 . 1 1 1 A 35 35 SER H H 35 7.960 7.572 0.388 1
1 308 . 1 1 1 A 35 35 SER HA H 35 4.820 3.971 0.849 1
1 311 . 1 1 1 A 35 35 SER C C 35 173.200 173.824 -0.624 1
1 312 . 1 1 1 A 35 35 SER CA C 35 58.100 60.945 -2.845 1
1 313 . 1 1 1 A 35 35 SER CB C 35 65.300 62.844 2.456 1
1 314 . 1 1 1 A 35 35 SER N N 35 114.500 113.225 1.275 1
1 315 . 1 1 1 A 36 36 LYS H H 36 7.630 7.410 0.220 1
1 316 . 1 1 1 A 36 36 LYS HA H 36 4.890 4.658 0.232 1
1 322 . 1 1 1 A 36 36 LYS C C 36 176.100 174.047 2.053 1
1 323 . 1 1 1 A 36 36 LYS CA C 36 55.400 54.477 0.923 1
1 324 . 1 1 1 A 36 36 LYS CB C 36 35.400 36.424 -1.024 1
1 328 . 1 1 1 A 36 36 LYS N N 36 126.900 120.268 6.632 1
1 329 . 1 1 1 A 37 37 TYR H H 37 8.440 8.709 -0.269 1
1 330 . 1 1 1 A 37 37 TYR HA H 37 5.100 5.195 -0.095 1
1 333 . 1 1 1 A 37 37 TYR C C 37 172.800 174.950 -2.150 1
1 334 . 1 1 1 A 37 37 TYR CA C 37 55.400 56.877 -1.477 1
1 335 . 1 1 1 A 37 37 TYR CB C 37 41.000 43.226 -2.226 1
1 336 . 1 1 1 A 37 37 TYR N N 37 124.200 122.382 1.818 1
1 337 . 1 1 1 A 38 38 ALA H H 38 8.590 8.719 -0.129 1
1 338 . 1 1 1 A 38 38 ALA HA H 38 4.630 5.182 -0.552 1
1 342 . 1 1 1 A 38 38 ALA C C 38 175.900 176.779 -0.879 1
1 343 . 1 1 1 A 38 38 ALA CA C 38 52.500 50.815 1.685 1
1 344 . 1 1 1 A 38 38 ALA CB C 38 18.300 20.677 -2.377 1
1 345 . 1 1 1 A 38 38 ALA N N 38 125.100 124.739 0.361 1
1 346 . 1 1 1 A 39 39 HIS H H 39 8.080 8.951 -0.871 1
1 347 . 1 1 1 A 39 39 HIS HA H 39 4.620 4.991 -0.371 1
1 352 . 1 1 1 A 39 39 HIS C C 39 174.100 172.896 1.204 1
1 353 . 1 1 1 A 39 39 HIS CA C 39 57.000 56.267 0.733 1
1 354 . 1 1 1 A 39 39 HIS CB C 39 34.600 33.141 1.459 1
1 355 . 1 1 1 A 39 39 HIS N N 39 125.600 121.804 3.796 1
1 356 . 1 1 1 A 40 40 SER H H 40 6.860 8.172 -1.312 1
1 357 . 1 1 1 A 40 40 SER HA H 40 4.060 4.964 -0.904 1
1 360 . 1 1 1 A 40 40 SER C C 40 174.900 173.235 1.665 1
1 361 . 1 1 1 A 40 40 SER CA C 40 58.800 57.493 1.307 1
1 362 . 1 1 1 A 40 40 SER CB C 40 62.700 63.636 -0.936 1
1 363 . 1 1 1 A 40 40 SER N N 40 118.700 118.479 0.221 1
1 364 . 1 1 1 A 41 41 SER H H 41 9.140 8.911 0.229 1
1 365 . 1 1 1 A 41 41 SER HA H 41 4.480 5.079 -0.599 1
1 368 . 1 1 1 A 41 41 SER C C 41 173.600 172.105 1.495 1
1 369 . 1 1 1 A 41 41 SER CA C 41 57.800 56.527 1.273 1
1 370 . 1 1 1 A 41 41 SER CB C 41 63.600 65.395 -1.795 1
1 371 . 1 1 1 A 41 41 SER N N 41 122.500 119.519 2.981 1
1 372 . 1 1 1 A 42 42 PRO HA H 42 4.040 4.330 -0.290 1
1 379 . 1 1 1 A 42 42 PRO C C 42 174.900 176.558 -1.658 1
1 380 . 1 1 1 A 42 42 PRO CA C 42 63.700 62.371 1.329 1
1 381 . 1 1 1 A 42 42 PRO CB C 42 31.500 32.129 -0.629 1
1 384 . 1 1 1 A 43 43 TRP H H 43 6.590 7.940 -1.350 1
1 385 . 1 1 1 A 43 43 TRP HA H 43 4.850 4.106 0.744 1
1 394 . 1 1 1 A 43 43 TRP C C 43 174.100 175.010 -0.910 1
1 395 . 1 1 1 A 43 43 TRP CA C 43 57.300 57.682 -0.382 1
1 396 . 1 1 1 A 43 43 TRP CB C 43 29.500 27.630 1.870 1
1 397 . 1 1 1 A 43 43 TRP N N 43 113.900 116.982 -3.082 1
1 399 . 1 1 1 A 44 44 PRO HA H 44 3.810 4.838 -1.028 1
1 405 . 1 1 1 A 44 44 PRO C C 44 174.800 175.965 -1.165 1
1 406 . 1 1 1 A 44 44 PRO CA C 44 63.200 63.064 0.136 1
1 407 . 1 1 1 A 44 44 PRO CB C 44 32.200 31.973 0.227 1
1 410 . 1 1 1 A 45 45 ALA H H 45 7.850 8.502 -0.652 1
1 411 . 1 1 1 A 45 45 ALA HA H 45 5.260 4.605 0.655 1
1 415 . 1 1 1 A 45 45 ALA C C 45 174.800 175.392 -0.592 1
1 416 . 1 1 1 A 45 45 ALA CA C 45 50.100 51.158 -1.058 1
1 417 . 1 1 1 A 45 45 ALA CB C 45 20.800 23.072 -2.272 1
1 418 . 1 1 1 A 45 45 ALA N N 45 126.700 122.661 4.039 1
1 419 . 1 1 1 A 46 46 PHE H H 46 8.080 8.314 -0.234 1
1 420 . 1 1 1 A 46 46 PHE HA H 46 5.860 5.394 0.466 1
1 424 . 1 1 1 A 46 46 PHE C C 46 177.800 175.559 2.241 1
1 425 . 1 1 1 A 46 46 PHE CA C 46 54.800 55.474 -0.674 1
1 426 . 1 1 1 A 46 46 PHE CB C 46 44.500 42.229 2.271 1
1 427 . 1 1 1 A 46 46 PHE N N 46 115.600 115.573 0.027 1
1 428 . 1 1 1 A 47 47 THR H H 47 9.190 8.583 0.607 1
1 429 . 1 1 1 A 47 47 THR HA H 47 5.220 4.180 1.040 1
1 434 . 1 1 1 A 47 47 THR C C 47 175.000 174.787 0.213 1
1 435 . 1 1 1 A 47 47 THR CA C 47 63.000 66.107 -3.107 1
1 436 . 1 1 1 A 47 47 THR CB C 47 70.500 68.441 2.059 1
1 438 . 1 1 1 A 47 47 THR N N 47 109.900 115.431 -5.531 1
1 439 . 1 1 1 A 48 48 GLU H H 48 7.320 7.519 -0.199 1
1 440 . 1 1 1 A 48 48 GLU HA H 48 4.920 4.146 0.774 1
1 445 . 1 1 1 A 48 48 GLU C C 48 175.400 173.963 1.437 1
1 446 . 1 1 1 A 48 48 GLU CA C 48 55.200 54.274 0.926 1
1 447 . 1 1 1 A 48 48 GLU CB C 48 31.900 32.405 -0.505 1
1 449 . 1 1 1 A 48 48 GLU N N 48 115.400 118.039 -2.639 1
1 450 . 1 1 1 A 49 49 THR H H 49 8.150 7.886 0.264 1
1 451 . 1 1 1 A 49 49 THR HA H 49 4.090 4.677 -0.587 1
1 456 . 1 1 1 A 49 49 THR C C 49 175.800 174.975 0.825 1
1 457 . 1 1 1 A 49 49 THR CA C 49 60.000 59.379 0.621 1
1 458 . 1 1 1 A 49 49 THR CB C 49 70.400 72.206 -1.806 1
1 460 . 1 1 1 A 49 49 THR N N 49 111.400 108.160 3.240 1
1 461 . 1 1 1 A 50 50 ILE H H 50 7.720 8.999 -1.279 1
1 462 . 1 1 1 A 50 50 ILE HA H 50 3.630 3.728 -0.098 1
1 472 . 1 1 1 A 50 50 ILE C C 50 174.500 175.785 -1.285 1
1 473 . 1 1 1 A 50 50 ILE CA C 50 64.100 62.381 1.719 1
1 474 . 1 1 1 A 50 50 ILE CB C 50 38.700 38.110 0.590 1
1 478 . 1 1 1 A 50 50 ILE N N 50 121.700 121.355 0.345 1
1 479 . 1 1 1 A 51 51 HIS H H 51 7.400 7.982 -0.582 1
1 480 . 1 1 1 A 51 51 HIS HA H 51 5.300 4.208 1.092 1
1 484 . 1 1 1 A 51 51 HIS C C 51 175.500 174.517 0.983 1
1 485 . 1 1 1 A 51 51 HIS CA C 51 51.800 56.759 -4.959 1
1 486 . 1 1 1 A 51 51 HIS CB C 51 29.700 27.953 1.747 1
1 487 . 1 1 1 A 51 51 HIS N N 51 115.500 120.252 -4.752 1
1 488 . 1 1 1 A 52 52 PRO HA H 52 4.350 4.362 -0.012 1
1 495 . 1 1 1 A 52 52 PRO C C 52 176.900 175.746 1.154 1
1 496 . 1 1 1 A 52 52 PRO CA C 52 64.800 62.747 2.053 1
1 497 . 1 1 1 A 52 52 PRO CB C 52 31.300 32.482 -1.182 1
1 500 . 1 1 1 A 53 53 ASP H H 53 8.070 8.296 -0.226 1
1 501 . 1 1 1 A 53 53 ASP HA H 53 4.760 4.597 0.163 1
1 504 . 1 1 1 A 53 53 ASP C C 53 176.900 176.309 0.591 1
1 505 . 1 1 1 A 53 53 ASP CA C 53 52.100 53.704 -1.604 1
1 506 . 1 1 1 A 53 53 ASP CB C 53 39.700 40.367 -0.667 1
1 507 . 1 1 1 A 53 53 ASP N N 53 114.300 120.530 -6.230 1
1 508 . 1 1 1 A 54 54 SER H H 54 7.720 8.125 -0.405 1
1 509 . 1 1 1 A 54 54 SER HA H 54 4.040 4.604 -0.564 1
1 512 . 1 1 1 A 54 54 SER C C 54 173.200 174.174 -0.974 1
1 513 . 1 1 1 A 54 54 SER CA C 54 64.100 58.757 5.343 1
1 514 . 1 1 1 A 54 54 SER CB C 54 64.200 64.034 0.166 1
1 515 . 1 1 1 A 54 54 SER N N 54 116.300 114.249 2.051 1
1 516 . 1 1 1 A 55 55 VAL H H 55 7.360 7.332 0.028 1
1 517 . 1 1 1 A 55 55 VAL HA H 55 5.280 4.812 0.468 1
1 525 . 1 1 1 A 55 55 VAL C C 55 175.700 174.235 1.465 1
1 526 . 1 1 1 A 55 55 VAL CA C 55 57.300 59.774 -2.474 1
1 527 . 1 1 1 A 55 55 VAL CB C 55 34.800 34.497 0.303 1
1 530 . 1 1 1 A 55 55 VAL N N 55 105.200 116.503 -11.303 1
1 531 . 1 1 1 A 56 56 THR H H 56 8.780 8.424 0.356 1
1 532 . 1 1 1 A 56 56 THR HA H 56 4.530 5.125 -0.595 1
1 537 . 1 1 1 A 56 56 THR C C 56 173.800 172.867 0.933 1
1 538 . 1 1 1 A 56 56 THR CA C 56 60.500 60.206 0.294 1
1 539 . 1 1 1 A 56 56 THR CB C 56 70.400 71.793 -1.393 1
1 541 . 1 1 1 A 56 56 THR N N 56 116.000 116.053 -0.053 1
1 542 . 1 1 1 A 57 57 LYS H H 57 8.610 8.914 -0.304 1
1 543 . 1 1 1 A 57 57 LYS HA H 57 5.490 5.225 0.265 1
1 550 . 1 1 1 A 57 57 LYS C C 57 176.000 174.742 1.258 1
1 551 . 1 1 1 A 57 57 LYS CA C 57 54.600 54.133 0.467 1
1 552 . 1 1 1 A 57 57 LYS CB C 57 36.000 36.955 -0.955 1
1 556 . 1 1 1 A 57 57 LYS N N 57 121.900 124.638 -2.738 1
1 557 . 1 1 1 A 58 58 CYS H H 58 8.610 9.012 -0.402 1
1 558 . 1 1 1 A 58 58 CYS HA H 58 5.100 5.021 0.079 1
1 561 . 1 1 1 A 58 58 CYS CA C 58 55.200 56.467 -1.267 1
1 562 . 1 1 1 A 58 58 CYS CB C 58 29.700 30.666 -0.966 1
1 563 . 1 1 1 A 58 58 CYS N N 58 120.600 117.527 3.073 1
1 564 . 1 1 1 A 59 59 PRO HA H 59 4.590 4.476 0.114 1
1 571 . 1 1 1 A 59 59 PRO C C 59 176.600 176.740 -0.140 1
1 572 . 1 1 1 A 59 59 PRO CA C 59 63.700 62.340 1.360 1
1 573 . 1 1 1 A 59 59 PRO CB C 59 32.100 31.989 0.111 1
1 576 . 1 1 1 A 60 60 GLU H H 60 8.630 8.241 0.389 1
1 577 . 1 1 1 A 60 60 GLU HA H 60 4.450 4.471 -0.021 1
1 582 . 1 1 1 A 60 60 GLU C C 60 176.900 177.310 -0.410 1
1 583 . 1 1 1 A 60 60 GLU CA C 60 55.700 56.328 -0.628 1
1 584 . 1 1 1 A 60 60 GLU CB C 60 30.500 30.325 0.175 1
1 586 . 1 1 1 A 60 60 GLU N N 60 123.900 121.328 2.572 1
1 587 . 1 1 1 A 61 61 LYS H H 61 8.780 8.482 0.298 1
1 588 . 1 1 1 A 61 61 LYS HA H 61 3.930 4.519 -0.589 1
1 596 . 1 1 1 A 61 61 LYS C C 61 177.100 177.373 -0.273 1
1 597 . 1 1 1 A 61 61 LYS CA C 61 58.300 57.281 1.019 1
1 598 . 1 1 1 A 61 61 LYS CB C 61 31.900 33.902 -2.002 1
1 602 . 1 1 1 A 61 61 LYS N N 61 127.000 120.110 6.890 1
1 603 . 1 1 1 A 62 62 ASN H H 62 8.870 8.243 0.627 1
1 604 . 1 1 1 A 62 62 ASN HA H 62 4.520 4.699 -0.179 1
1 609 . 1 1 1 A 62 62 ASN C C 62 174.400 175.389 -0.989 1
1 610 . 1 1 1 A 62 62 ASN CA C 62 54.000 53.073 0.927 1
1 611 . 1 1 1 A 62 62 ASN CB C 62 38.000 37.971 0.029 1
1 612 . 1 1 1 A 62 62 ASN N N 62 117.000 116.415 0.585 1
1 613 . 1 1 1 A 63 63 ARG H H 63 7.430 7.600 -0.170 1
1 614 . 1 1 1 A 63 63 ARG HA H 63 4.810 4.778 0.032 1
1 622 . 1 1 1 A 63 63 ARG C C 63 172.300 174.317 -2.017 1
1 623 . 1 1 1 A 63 63 ARG CA C 63 53.800 53.684 0.116 1
1 624 . 1 1 1 A 63 63 ARG CB C 63 31.300 30.893 0.407 1
1 627 . 1 1 1 A 63 63 ARG N N 63 119.200 119.667 -0.467 1
1 629 . 1 1 1 A 64 64 PRO HA H 64 4.350 4.498 -0.148 1
1 636 . 1 1 1 A 64 64 PRO C C 64 176.900 175.946 0.954 1
1 637 . 1 1 1 A 64 64 PRO CA C 64 64.200 63.004 1.196 1
1 638 . 1 1 1 A 64 64 PRO CB C 64 31.800 29.976 1.824 1
1 641 . 1 1 1 A 65 65 GLU H H 65 9.210 8.561 0.649 1
1 642 . 1 1 1 A 65 65 GLU HA H 65 4.280 4.441 -0.161 1
1 647 . 1 1 1 A 65 65 GLU C C 65 174.300 174.903 -0.603 1
1 648 . 1 1 1 A 65 65 GLU CA C 65 56.600 55.838 0.762 1
1 649 . 1 1 1 A 65 65 GLU CB C 65 28.200 31.365 -3.165 1
1 651 . 1 1 1 A 65 65 GLU N N 65 117.000 119.556 -2.556 1
1 652 . 1 1 1 A 66 66 ALA H H 66 8.040 7.065 0.975 1
1 653 . 1 1 1 A 66 66 ALA HA H 66 5.230 4.070 1.160 1
1 657 . 1 1 1 A 66 66 ALA C C 66 174.900 175.081 -0.181 1
1 658 . 1 1 1 A 66 66 ALA CA C 66 50.300 51.061 -0.761 1
1 659 . 1 1 1 A 66 66 ALA CB C 66 22.200 21.591 0.609 1
1 660 . 1 1 1 A 66 66 ALA N N 66 124.800 119.794 5.006 1
1 661 . 1 1 1 A 67 67 LEU H H 67 8.710 7.963 0.747 1
1 662 . 1 1 1 A 67 67 LEU HA H 67 4.800 5.210 -0.410 1
1 672 . 1 1 1 A 67 67 LEU C C 67 177.200 175.198 2.002 1
1 673 . 1 1 1 A 67 67 LEU CA C 67 52.800 52.410 0.390 1
1 674 . 1 1 1 A 67 67 LEU CB C 67 43.200 46.151 -2.951 1
1 678 . 1 1 1 A 67 67 LEU N N 67 120.400 114.959 5.441 1
1 679 . 1 1 1 A 68 68 LYS H H 68 9.180 8.844 0.336 1
1 680 . 1 1 1 A 68 68 LYS HA H 68 4.050 4.550 -0.500 1
1 689 . 1 1 1 A 68 68 LYS C C 68 176.900 174.918 1.982 1
1 690 . 1 1 1 A 68 68 LYS CA C 68 57.100 54.203 2.897 1
1 691 . 1 1 1 A 68 68 LYS CB C 68 32.600 35.359 -2.759 1
1 695 . 1 1 1 A 68 68 LYS N N 68 125.300 118.574 6.726 1
1 696 . 1 1 1 A 69 69 VAL H H 69 8.150 8.796 -0.646 1
1 697 . 1 1 1 A 69 69 VAL HA H 69 5.240 4.897 0.343 1
1 705 . 1 1 1 A 69 69 VAL C C 69 174.900 174.496 0.404 1
1 706 . 1 1 1 A 69 69 VAL CA C 69 59.900 60.627 -0.727 1
1 707 . 1 1 1 A 69 69 VAL CB C 69 34.700 35.097 -0.397 1
1 710 . 1 1 1 A 69 69 VAL N N 69 121.600 122.103 -0.503 1
1 711 . 1 1 1 A 70 70 SER H H 70 8.610 8.800 -0.190 1
1 712 . 1 1 1 A 70 70 SER HA H 70 5.210 5.057 0.153 1
1 715 . 1 1 1 A 70 70 SER C C 70 171.900 172.538 -0.638 1
1 716 . 1 1 1 A 70 70 SER CA C 70 56.600 56.800 -0.200 1
1 717 . 1 1 1 A 70 70 SER CB C 70 65.600 66.163 -0.563 1
1 718 . 1 1 1 A 70 70 SER N N 70 120.600 119.329 1.271 1
1 719 . 1 1 1 A 71 71 CYS H H 71 9.280 8.483 0.797 1
1 720 . 1 1 1 A 71 71 CYS HA H 71 4.130 4.578 -0.448 1
1 723 . 1 1 1 A 71 71 CYS C C 71 178.600 175.325 3.275 1
1 724 . 1 1 1 A 71 71 CYS CA C 71 61.600 58.062 3.538 1
1 725 . 1 1 1 A 71 71 CYS CB C 71 31.300 26.979 4.321 1
1 726 . 1 1 1 A 71 71 CYS N N 71 126.700 122.300 4.400 1
1 727 . 1 1 1 A 72 72 GLY H H 72 9.140 8.188 0.952 1
1 728 . 1 1 1 A 72 72 GLY HA2 H 72 3.760 3.870 -0.110 1
1 729 . 1 1 1 A 72 72 GLY HA3 H 72 3.670 3.871 -0.201 1
1 730 . 1 1 1 A 72 72 GLY C C 72 172.500 175.953 -3.453 1
1 731 . 1 1 1 A 72 72 GLY CA C 72 46.200 47.289 -1.089 1
1 732 . 1 1 1 A 72 72 GLY N N 72 120.100 113.720 6.380 1
1 733 . 1 1 1 A 73 73 LYS H H 73 9.090 8.002 1.088 1
1 734 . 1 1 1 A 73 73 LYS HA H 73 4.210 4.044 0.166 1
1 742 . 1 1 1 A 73 73 LYS C C 73 177.600 178.326 -0.726 1
1 743 . 1 1 1 A 73 73 LYS CA C 73 56.600 59.068 -2.468 1
1 744 . 1 1 1 A 73 73 LYS CB C 73 32.700 32.144 0.556 1
1 748 . 1 1 1 A 73 73 LYS N N 73 124.400 120.916 3.484 1
1 749 . 1 1 1 A 74 74 CYS H H 74 8.590 7.570 1.020 1
1 750 . 1 1 1 A 74 74 CYS HA H 74 4.910 4.541 0.369 1
1 753 . 1 1 1 A 74 74 CYS C C 74 177.400 175.455 1.945 1
1 754 . 1 1 1 A 74 74 CYS CA C 74 58.900 58.692 0.208 1
1 755 . 1 1 1 A 74 74 CYS CB C 74 33.300 28.939 4.361 1
1 756 . 1 1 1 A 74 74 CYS N N 74 119.700 114.438 5.262 1
1 757 . 1 1 1 A 75 75 GLY H H 75 7.760 8.522 -0.762 1
1 758 . 1 1 1 A 75 75 GLY HA2 H 75 4.210 3.959 0.251 1
1 759 . 1 1 1 A 75 75 GLY HA3 H 75 3.750 3.961 -0.211 1
1 760 . 1 1 1 A 75 75 GLY C C 75 174.000 174.073 -0.073 1
1 761 . 1 1 1 A 75 75 GLY CA C 75 46.100 46.515 -0.415 1
1 762 . 1 1 1 A 75 75 GLY N N 75 113.000 110.593 2.407 1
1 763 . 1 1 1 A 76 76 ASN H H 76 9.050 7.908 1.142 1
1 764 . 1 1 1 A 76 76 ASN HA H 76 4.500 5.081 -0.581 1
1 769 . 1 1 1 A 76 76 ASN C C 76 178.700 174.136 4.564 1
1 770 . 1 1 1 A 76 76 ASN CA C 76 54.700 51.554 3.146 1
1 771 . 1 1 1 A 76 76 ASN CB C 76 39.800 40.580 -0.780 1
1 772 . 1 1 1 A 76 76 ASN N N 76 123.700 118.817 4.883 1
1 774 . 1 1 1 A 77 77 GLY H H 77 8.660 8.447 0.213 1
1 775 . 1 1 1 A 77 77 GLY HA2 H 77 3.970 4.160 -0.190 1
1 776 . 1 1 1 A 77 77 GLY HA3 H 77 3.710 4.163 -0.453 1
1 777 . 1 1 1 A 77 77 GLY C C 77 173.800 174.317 -0.517 1
1 778 . 1 1 1 A 77 77 GLY CA C 77 47.300 45.622 1.678 1
1 779 . 1 1 1 A 77 77 GLY N N 77 115.600 108.171 7.429 1
1 780 . 1 1 1 A 78 78 LEU H H 78 8.600 8.435 0.165 1
1 781 . 1 1 1 A 78 78 LEU HA H 78 4.810 4.465 0.345 1
1 791 . 1 1 1 A 78 78 LEU C C 78 173.800 176.531 -2.731 1
1 792 . 1 1 1 A 78 78 LEU CA C 78 54.900 53.751 1.149 1
1 793 . 1 1 1 A 78 78 LEU CB C 78 45.000 43.657 1.343 1
1 797 . 1 1 1 A 78 78 LEU N N 78 122.700 119.236 3.464 1
1 798 . 1 1 1 A 79 79 GLY H H 79 7.100 7.534 -0.434 1
1 799 . 1 1 1 A 79 79 GLY HA2 H 79 4.650 4.182 0.468 1
1 800 . 1 1 1 A 79 79 GLY HA3 H 79 3.020 4.253 -1.233 1
1 801 . 1 1 1 A 79 79 GLY C C 79 173.000 172.806 0.194 1
1 802 . 1 1 1 A 79 79 GLY CA C 79 44.900 44.103 0.797 1
1 803 . 1 1 1 A 79 79 GLY N N 79 102.400 107.872 -5.472 1
1 804 . 1 1 1 A 80 80 HIS H H 80 8.580 9.116 -0.536 1
1 805 . 1 1 1 A 80 80 HIS HA H 80 5.470 5.347 0.123 1
1 810 . 1 1 1 A 80 80 HIS C C 80 172.300 173.807 -1.507 1
1 811 . 1 1 1 A 80 80 HIS CA C 80 55.000 54.506 0.494 1
1 812 . 1 1 1 A 80 80 HIS CB C 80 34.500 34.515 -0.015 1
1 813 . 1 1 1 A 80 80 HIS N N 80 122.400 119.055 3.345 1
1 814 . 1 1 1 A 81 81 GLU H H 81 9.260 9.120 0.140 1
1 815 . 1 1 1 A 81 81 GLU HA H 81 4.100 4.407 -0.307 1
1 820 . 1 1 1 A 81 81 GLU C C 81 174.300 175.165 -0.865 1
1 821 . 1 1 1 A 81 81 GLU CA C 81 54.700 55.481 -0.781 1
1 822 . 1 1 1 A 81 81 GLU CB C 81 31.600 31.559 0.041 1
1 824 . 1 1 1 A 81 81 GLU N N 81 123.700 121.031 2.669 1
1 825 . 1 1 1 A 82 82 PHE H H 82 9.150 9.050 0.100 1
1 826 . 1 1 1 A 82 82 PHE HA H 82 5.080 4.694 0.386 1
1 830 . 1 1 1 A 82 82 PHE C C 82 174.300 174.562 -0.262 1
1 831 . 1 1 1 A 82 82 PHE CA C 82 56.700 58.768 -2.068 1
1 832 . 1 1 1 A 82 82 PHE CB C 82 38.800 39.409 -0.609 1
1 833 . 1 1 1 A 82 82 PHE N N 82 126.900 128.512 -1.612 1
1 834 . 1 1 1 A 83 83 LEU H H 83 8.280 8.595 -0.315 1
1 835 . 1 1 1 A 83 83 LEU HA H 83 4.100 4.750 -0.650 1
1 845 . 1 1 1 A 83 83 LEU C C 83 176.200 175.175 1.025 1
1 846 . 1 1 1 A 83 83 LEU CA C 83 55.500 52.977 2.523 1
1 847 . 1 1 1 A 83 83 LEU CB C 83 42.000 44.610 -2.610 1
1 849 . 1 1 1 A 83 83 LEU N N 83 126.900 126.780 0.120 1
1 850 . 1 1 1 A 84 84 ASN H H 84 9.260 8.766 0.494 1
1 851 . 1 1 1 A 84 84 ASN HA H 84 4.290 4.408 -0.118 1
1 856 . 1 1 1 A 84 84 ASN C C 84 174.400 174.337 0.063 1
1 857 . 1 1 1 A 84 84 ASN CA C 84 54.800 54.721 0.079 1
1 858 . 1 1 1 A 84 84 ASN CB C 84 37.900 36.896 1.004 1
1 859 . 1 1 1 A 84 84 ASN N N 84 116.900 118.423 -1.523 1
1 861 . 1 1 1 A 85 85 ASP H H 85 7.140 8.140 -1.000 1
1 862 . 1 1 1 A 85 85 ASP HA H 85 5.200 4.999 0.201 1
1 865 . 1 1 1 A 85 85 ASP C C 85 176.000 176.424 -0.424 1
1 866 . 1 1 1 A 85 85 ASP CA C 85 53.800 55.440 -1.640 1
1 867 . 1 1 1 A 85 85 ASP CB C 85 45.500 44.065 1.435 1
1 868 . 1 1 1 A 85 85 ASP N N 85 117.200 118.142 -0.942 1
1 869 . 1 1 1 A 86 86 GLY H H 86 8.230 8.032 0.198 1
1 870 . 1 1 1 A 86 86 GLY HA2 H 86 4.140 4.468 -0.328 1
1 871 . 1 1 1 A 86 86 GLY HA3 H 86 3.280 4.475 -1.195 1
1 872 . 1 1 1 A 86 86 GLY C C 86 171.700 174.026 -2.326 1
1 873 . 1 1 1 A 86 86 GLY CA C 86 44.600 46.772 -2.172 1
1 874 . 1 1 1 A 86 86 GLY N N 86 107.600 106.365 1.235 1
1 875 . 1 1 1 A 87 87 PRO HA H 87 4.190 4.310 -0.120 1
1 882 . 1 1 1 A 87 87 PRO C C 87 177.000 178.926 -1.926 1
1 883 . 1 1 1 A 87 87 PRO CA C 87 65.200 65.265 -0.065 1
1 884 . 1 1 1 A 87 87 PRO CB C 87 31.700 31.708 -0.008 1
1 887 . 1 1 1 A 88 88 LYS H H 88 7.310 8.272 -0.962 1
1 888 . 1 1 1 A 88 88 LYS HA H 88 4.480 4.332 0.148 1
1 897 . 1 1 1 A 88 88 LYS C C 88 175.700 177.505 -1.805 1
1 898 . 1 1 1 A 88 88 LYS CA C 88 53.700 58.641 -4.941 1
1 899 . 1 1 1 A 88 88 LYS CB C 88 34.900 32.869 2.031 1
1 903 . 1 1 1 A 88 88 LYS N N 88 116.200 116.752 -0.552 1
1 904 . 1 1 1 A 89 89 ARG H H 89 8.320 7.649 0.671 1
1 905 . 1 1 1 A 89 89 ARG HA H 89 4.010 4.379 -0.369 1
1 912 . 1 1 1 A 89 89 ARG C C 89 177.500 177.831 -0.331 1
1 913 . 1 1 1 A 89 89 ARG CA C 89 57.900 56.727 1.173 1
1 914 . 1 1 1 A 89 89 ARG CB C 89 32.100 31.054 1.046 1
1 917 . 1 1 1 A 89 89 ARG N N 89 122.200 119.087 3.113 1
1 919 . 1 1 1 A 90 90 GLY H H 90 8.950 8.717 0.233 1
1 920 . 1 1 1 A 90 90 GLY HA2 H 90 4.240 3.893 0.347 1
1 921 . 1 1 1 A 90 90 GLY HA3 H 90 3.850 3.899 -0.049 1
1 922 . 1 1 1 A 90 90 GLY C C 90 175.000 174.375 0.625 1
1 923 . 1 1 1 A 90 90 GLY CA C 90 45.100 45.894 -0.794 1
1 924 . 1 1 1 A 90 90 GLY N N 90 115.100 110.732 4.368 1
1 925 . 1 1 1 A 91 91 GLN H H 91 8.120 7.512 0.608 1
1 926 . 1 1 1 A 91 91 GLN HA H 91 4.580 4.187 0.393 1
1 933 . 1 1 1 A 91 91 GLN C C 91 177.000 176.087 0.913 1
1 934 . 1 1 1 A 91 91 GLN CA C 91 55.900 56.227 -0.327 1
1 935 . 1 1 1 A 91 91 GLN CB C 91 31.000 29.315 1.685 1
1 937 . 1 1 1 A 91 91 GLN N N 91 120.900 119.939 0.961 1
1 938 . 1 1 1 A 92 92 SER H H 92 9.210 8.707 0.503 1
1 939 . 1 1 1 A 92 92 SER HA H 92 4.820 4.243 0.577 1
1 942 . 1 1 1 A 92 92 SER C C 92 171.600 172.619 -1.019 1
1 943 . 1 1 1 A 92 92 SER CA C 92 57.700 58.901 -1.201 1
1 944 . 1 1 1 A 92 92 SER CB C 92 65.200 62.385 2.815 1
1 945 . 1 1 1 A 92 92 SER N N 92 120.900 117.449 3.451 1
1 946 . 1 1 1 A 93 93 ARG H H 93 7.820 8.325 -0.505 1
1 947 . 1 1 1 A 93 93 ARG HA H 93 4.950 5.111 -0.161 1
1 952 . 1 1 1 A 93 93 ARG C C 93 176.400 174.736 1.664 1
1 953 . 1 1 1 A 93 93 ARG CA C 93 55.200 54.654 0.546 1
1 954 . 1 1 1 A 93 93 ARG CB C 93 34.600 32.823 1.777 1
1 957 . 1 1 1 A 93 93 ARG N N 93 117.800 123.649 -5.849 1
1 958 . 1 1 1 A 94 94 PHE H H 94 9.860 8.904 0.956 1
1 959 . 1 1 1 A 94 94 PHE HA H 94 4.780 4.558 0.222 1
1 962 . 1 1 1 A 94 94 PHE C C 94 176.400 174.698 1.702 1
1 963 . 1 1 1 A 94 94 PHE CA C 94 58.300 58.837 -0.537 1
1 964 . 1 1 1 A 94 94 PHE CB C 94 38.500 39.478 -0.978 1
1 965 . 1 1 1 A 94 94 PHE N N 94 127.100 120.058 7.042 1
1 966 . 1 1 1 A 95 95 CYS H H 95 9.190 8.341 0.849 1
1 967 . 1 1 1 A 95 95 CYS HA H 95 4.810 4.772 0.038 1
1 970 . 1 1 1 A 95 95 CYS CA C 95 57.300 57.394 -0.094 1
1 971 . 1 1 1 A 95 95 CYS CB C 95 28.700 30.414 -1.714 1
1 972 . 1 1 1 A 95 95 CYS N N 95 128.200 124.180 4.020 1
1 973 . 1 1 1 A 96 96 ILE H H 96 7.510 8.966 -1.456 1
1 974 . 1 1 1 A 96 96 ILE HA H 96 4.620 5.284 -0.664 1
1 983 . 1 1 1 A 96 96 ILE C C 96 173.700 174.768 -1.068 1
1 984 . 1 1 1 A 96 96 ILE CA C 96 55.800 59.052 -3.252 1
1 985 . 1 1 1 A 96 96 ILE CB C 96 39.900 41.799 -1.899 1
1 989 . 1 1 1 A 96 96 ILE N N 96 130.700 128.980 1.720 1
1 990 . 1 1 1 A 97 97 PHE H H 97 8.040 9.020 -0.980 1
1 991 . 1 1 1 A 97 97 PHE HA H 97 4.920 4.885 0.035 1
1 994 . 1 1 1 A 97 97 PHE C C 97 178.800 177.182 1.618 1
1 995 . 1 1 1 A 97 97 PHE CA C 97 57.500 58.177 -0.677 1
1 996 . 1 1 1 A 97 97 PHE CB C 97 38.400 40.036 -1.636 1
1 997 . 1 1 1 A 97 97 PHE N N 97 122.400 125.939 -3.539 1
1 998 . 1 1 1 A 98 98 SER HA H 98 4.380 4.335 0.045 1
1 1001 . 1 1 1 A 98 98 SER C C 98 176.400 176.206 0.194 1
1 1002 . 1 1 1 A 98 98 SER CA C 98 64.900 60.642 4.258 1
1 1003 . 1 1 1 A 98 98 SER CB C 98 63.600 63.446 0.154 1
1 1004 . 1 1 1 A 99 99 SER H H 99 9.360 8.206 1.154 1
1 1005 . 1 1 1 A 99 99 SER HA H 99 4.300 4.381 -0.081 1
1 1008 . 1 1 1 A 99 99 SER C C 99 175.800 176.577 -0.777 1
1 1009 . 1 1 1 A 99 99 SER CA C 99 60.200 60.740 -0.540 1
1 1010 . 1 1 1 A 99 99 SER CB C 99 62.700 63.044 -0.344 1
1 1011 . 1 1 1 A 99 99 SER N N 99 114.100 117.175 -3.075 1
1 1012 . 1 1 1 A 100 100 SER H H 100 8.150 8.024 0.126 1
1 1013 . 1 1 1 A 100 100 SER HA H 100 4.630 4.428 0.202 1
1 1016 . 1 1 1 A 100 100 SER C C 100 173.500 174.217 -0.717 1
1 1017 . 1 1 1 A 100 100 SER CA C 100 60.400 60.838 -0.438 1
1 1018 . 1 1 1 A 100 100 SER CB C 100 63.600 63.995 -0.395 1
1 1019 . 1 1 1 A 100 100 SER N N 100 118.700 114.960 3.740 1
1 1020 . 1 1 1 A 101 101 LEU H H 101 8.100 7.748 0.352 1
1 1021 . 1 1 1 A 101 101 LEU HA H 101 5.570 4.767 0.803 1
1 1031 . 1 1 1 A 101 101 LEU C C 101 176.000 174.372 1.628 1
1 1032 . 1 1 1 A 101 101 LEU CA C 101 53.400 54.024 -0.624 1
1 1033 . 1 1 1 A 101 101 LEU CB C 101 46.700 44.561 2.139 1
1 1036 . 1 1 1 A 101 101 LEU N N 101 122.000 116.612 5.388 1
1 1037 . 1 1 1 A 102 102 LYS H H 102 8.950 8.429 0.521 1
1 1038 . 1 1 1 A 102 102 LYS HA H 102 4.710 5.146 -0.436 1
1 1045 . 1 1 1 A 102 102 LYS C C 102 174.400 174.803 -0.403 1
1 1046 . 1 1 1 A 102 102 LYS CA C 102 55.400 54.469 0.931 1
1 1047 . 1 1 1 A 102 102 LYS CB C 102 36.500 35.970 0.530 1
1 1051 . 1 1 1 A 102 102 LYS N N 102 119.500 120.174 -0.674 1
1 1052 . 1 1 1 A 103 103 PHE H H 103 9.010 8.783 0.227 1
1 1053 . 1 1 1 A 103 103 PHE HA H 103 4.750 4.908 -0.158 1
1 1056 . 1 1 1 A 103 103 PHE C C 103 173.900 173.413 0.487 1
1 1057 . 1 1 1 A 103 103 PHE CA C 103 57.100 55.120 1.980 1
1 1058 . 1 1 1 A 103 103 PHE CB C 103 41.300 41.790 -0.490 1
1 1059 . 1 1 1 A 103 103 PHE N N 103 124.500 122.890 1.610 1
1 1060 . 1 1 1 A 104 104 VAL H H 104 8.550 8.691 -0.141 1
1 1061 . 1 1 1 A 104 104 VAL HA H 104 4.140 4.612 -0.472 1
1 1069 . 1 1 1 A 104 104 VAL C C 104 172.800 173.606 -0.806 1
1 1070 . 1 1 1 A 104 104 VAL CA C 104 58.800 58.517 0.283 1
1 1071 . 1 1 1 A 104 104 VAL CB C 104 32.300 32.970 -0.670 1
1 1074 . 1 1 1 A 104 104 VAL N N 104 132.000 127.921 4.079 1
1 1075 . 1 1 1 A 105 105 PRO HA H 105 4.110 4.270 -0.160 1
1 1082 . 1 1 1 A 105 105 PRO C C 105 176.400 176.654 -0.254 1
1 1083 . 1 1 1 A 105 105 PRO CA C 105 62.400 62.352 0.048 1
1 1084 . 1 1 1 A 105 105 PRO CB C 105 32.400 31.829 0.571 1
1 1087 . 1 1 1 A 106 106 LYS H H 106 7.900 8.362 -0.462 1
1 1088 . 1 1 1 A 106 106 LYS HA H 106 4.170 4.349 -0.179 1
1 1096 . 1 1 1 A 106 106 LYS C C 106 176.900 177.812 -0.912 1
1 1097 . 1 1 1 A 106 106 LYS CA C 106 56.700 55.847 0.853 1
1 1098 . 1 1 1 A 106 106 LYS CB C 106 33.500 34.178 -0.678 1
1 1102 . 1 1 1 A 106 106 LYS N N 106 123.200 121.127 2.073 1
1 1103 . 1 1 1 A 107 107 GLY H H 107 8.740 8.589 0.151 1
1 1104 . 1 1 1 A 107 107 GLY HA2 H 107 3.930 3.726 0.204 1
1 1105 . 1 1 1 A 107 107 GLY HA3 H 107 3.960 3.732 0.228 1
1 1106 . 1 1 1 A 107 107 GLY C C 107 174.000 175.777 -1.777 1
1 1107 . 1 1 1 A 107 107 GLY CA C 107 45.000 47.004 -2.004 1
1 1108 . 1 1 1 A 107 107 GLY N N 107 113.500 109.968 3.532 1
1 1109 . 1 1 1 A 108 108 LYS H H 108 8.240 7.938 0.302 1
1 1110 . 1 1 1 A 108 108 LYS HA H 108 4.290 4.367 -0.077 1
1 1118 . 1 1 1 A 108 108 LYS C C 108 176.700 176.989 -0.289 1
1 1119 . 1 1 1 A 108 108 LYS CA C 108 56.000 57.176 -1.176 1
1 1120 . 1 1 1 A 108 108 LYS CB C 108 32.700 33.977 -1.277 1
1 1124 . 1 1 1 A 108 108 LYS N N 108 121.500 121.981 -0.481 1
1 1125 . 1 1 1 A 109 109 GLU H H 109 8.650 8.064 0.586 1
1 1126 . 1 1 1 A 109 109 GLU HA H 109 4.180 4.588 -0.408 1
1 1131 . 1 1 1 A 109 109 GLU C C 109 176.500 176.220 0.280 1
1 1132 . 1 1 1 A 109 109 GLU CA C 109 56.600 58.041 -1.441 1
1 1133 . 1 1 1 A 109 109 GLU CB C 109 29.900 31.573 -1.673 1
1 1135 . 1 1 1 A 109 109 GLU N N 109 122.800 118.035 4.765 1
1 1136 . 1 1 1 A 110 110 ALA H H 110 8.400 7.815 0.585 1
1 1137 . 1 1 1 A 110 110 ALA HA H 110 4.190 3.963 0.227 1
1 1141 . 1 1 1 A 110 110 ALA CA C 110 52.500 54.222 -1.722 1
1 1142 . 1 1 1 A 110 110 ALA CB C 110 19.000 18.026 0.974 1
1 1143 . 1 1 1 A 110 110 ALA N N 110 126.100 122.045 4.055 1
1 1144 . 1 1 1 A 111 111 ALA H H 111 8.240 8.714 -0.474 1
1 1145 . 1 1 1 A 111 111 ALA HA H 111 4.220 3.982 0.238 1
1 1149 . 1 1 1 A 111 111 ALA C C 111 177.800 177.004 0.796 1
1 1150 . 1 1 1 A 111 111 ALA CA C 111 52.600 54.268 -1.668 1
1 1151 . 1 1 1 A 111 111 ALA CB C 111 19.000 18.139 0.861 1
1 1152 . 1 1 1 A 111 111 ALA N N 111 123.800 119.616 4.184 1
1 1153 . 1 1 1 A 112 112 ALA H H 112 8.220 8.784 -0.564 1
1 1154 . 1 1 1 A 112 112 ALA HA H 112 4.250 3.946 0.304 1
1 1158 . 1 1 1 A 112 112 ALA C C 112 178.100 176.263 1.837 1
1 1159 . 1 1 1 A 112 112 ALA CA C 112 52.600 52.896 -0.296 1
1 1160 . 1 1 1 A 112 112 ALA CB C 112 19.100 17.574 1.526 1
1 1161 . 1 1 1 A 112 112 ALA N N 112 123.600 119.840 3.760 1
1 1162 . 1 1 1 A 113 113 SER H H 113 8.200 7.651 0.549 1
1 1163 . 1 1 1 A 113 113 SER HA H 113 4.360 5.022 -0.662 1
1 1166 . 1 1 1 A 113 113 SER C C 113 174.800 172.579 2.221 1
1 1167 . 1 1 1 A 113 113 SER CA C 113 58.300 57.665 0.635 1
1 1168 . 1 1 1 A 113 113 SER CB C 113 63.500 65.681 -2.181 1
1 1169 . 1 1 1 A 113 113 SER N N 113 115.400 108.919 6.481 1
1 1170 . 1 1 1 A 114 114 GLN H H 114 8.320 8.599 -0.279 1
1 1171 . 1 1 1 A 114 114 GLN HA H 114 4.290 4.809 -0.519 1
1 1178 . 1 1 1 A 114 114 GLN C C 114 176.500 175.255 1.245 1
1 1179 . 1 1 1 A 114 114 GLN CA C 114 55.900 55.666 0.234 1
1 1180 . 1 1 1 A 114 114 GLN CB C 114 29.300 30.598 -1.298 1
1 1182 . 1 1 1 A 114 114 GLN N N 114 122.500 122.150 0.350 1
1 1183 . 1 1 1 A 115 115 GLY H H 115 8.370 8.655 -0.285 1
1 1184 . 1 1 1 A 115 115 GLY HA2 H 115 3.850 4.131 -0.281 1
1 1185 . 1 1 1 A 115 115 GLY HA3 H 115 3.850 4.179 -0.329 1
1 1186 . 1 1 1 A 115 115 GLY C C 115 173.900 171.961 1.939 1
1 1187 . 1 1 1 A 115 115 GLY CA C 115 45.400 45.477 -0.077 1
1 1188 . 1 1 1 A 115 115 GLY N N 115 110.000 109.064 0.936 1
1 1189 . 1 1 1 A 116 116 HIS H H 116 8.290 8.640 -0.350 1
1 1190 . 1 1 1 A 116 116 HIS HA H 116 4.620 5.111 -0.491 1
1 1195 . 1 1 1 A 116 116 HIS C C 116 174.600 172.061 2.539 1
1 1196 . 1 1 1 A 116 116 HIS CA C 116 55.500 54.773 0.727 1
1 1197 . 1 1 1 A 116 116 HIS CB C 116 29.100 31.887 -2.787 1
1 1198 . 1 1 1 A 116 116 HIS N N 116 119.100 117.700 1.400 1
1 1199 . 1 1 1 A 117 117 LEU H H 117 8.220 8.834 -0.614 1
1 1200 . 1 1 1 A 117 117 LEU HA H 117 4.240 4.954 -0.714 1
1 1210 . 1 1 1 A 117 117 LEU C C 117 174.600 174.612 -0.012 1
1 1211 . 1 1 1 A 117 117 LEU CA C 117 55.100 54.458 0.642 1
1 1212 . 1 1 1 A 117 117 LEU CB C 117 42.300 45.972 -3.672 1
1 1216 . 1 1 1 A 117 117 LEU N N 117 124.100 121.833 2.267 1
1 1217 . 1 1 1 A 118 118 GLU H H 118 8.350 8.957 -0.607 1
1 1218 . 1 1 1 A 118 118 GLU HA H 118 4.160 5.153 -0.993 1
1 1223 . 1 1 1 A 118 118 GLU C C 118 176.000 174.723 1.277 1
1 1224 . 1 1 1 A 118 118 GLU CA C 118 56.300 55.365 0.935 1
1 1225 . 1 1 1 A 118 118 GLU CB C 118 30.300 33.613 -3.313 1
1 1227 . 1 1 1 A 118 118 GLU N N 118 122.300 123.975 -1.675 1
1 1228 . 1 1 1 A 119 119 HIS H H 119 8.410 8.653 -0.243 1
1 1229 . 1 1 1 A 119 119 HIS HA H 119 4.570 5.351 -0.781 1
1 1232 . 1 1 1 A 119 119 HIS C C 119 174.500 173.387 1.113 1
1 1233 . 1 1 1 A 119 119 HIS CA C 119 55.400 54.831 0.569 1
1 1234 . 1 1 1 A 119 119 HIS CB C 119 29.400 31.957 -2.557 1
1 1235 . 1 1 1 A 119 119 HIS N N 119 120.500 116.951 3.549 1
1 1236 . 1 1 1 A 120 120 HIS H H 120 8.530 8.816 -0.286 1
1 1237 . 1 1 1 A 120 120 HIS HA H 120 4.640 4.982 -0.342 1
1 1240 . 1 1 1 A 120 120 HIS C C 120 174.400 173.182 1.218 1
1 1241 . 1 1 1 A 120 120 HIS CA C 120 57.900 56.208 1.692 1
1 1242 . 1 1 1 A 120 120 HIS CB C 120 29.400 33.170 -3.770 1
1 1 . 2 1 1 A 3 3 PHE HA H 3 4.650 4.582 0.068 1
1 4 . 2 1 1 A 3 3 PHE C C 3 174.500 173.251 1.249 1
1 5 . 2 1 1 A 3 3 PHE CA C 3 57.800 59.101 -1.301 1
1 6 . 2 1 1 A 3 3 PHE CB C 3 39.600 38.393 1.207 1
1 7 . 2 1 1 A 4 4 CYS H H 4 8.270 8.293 -0.023 1
1 8 . 2 1 1 A 4 4 CYS HA H 4 4.380 5.084 -0.704 1
1 11 . 2 1 1 A 4 4 CYS C C 4 173.800 172.815 0.985 1
1 12 . 2 1 1 A 4 4 CYS CA C 4 58.100 59.014 -0.914 1
1 13 . 2 1 1 A 4 4 CYS CB C 4 28.100 29.963 -1.863 1
1 14 . 2 1 1 A 4 4 CYS N N 4 122.600 122.443 0.157 1
1 15 . 2 1 1 A 5 5 SER H H 5 8.250 8.785 -0.535 1
1 16 . 2 1 1 A 5 5 SER HA H 5 4.270 5.144 -0.874 1
1 19 . 2 1 1 A 5 5 SER C C 5 173.700 172.791 0.909 1
1 20 . 2 1 1 A 5 5 SER CA C 5 58.300 57.704 0.596 1
1 21 . 2 1 1 A 5 5 SER CB C 5 63.700 66.390 -2.690 1
1 22 . 2 1 1 A 5 5 SER N N 5 119.600 121.062 -1.462 1
1 23 . 2 1 1 A 6 6 PHE H H 6 8.010 8.904 -0.894 1
1 24 . 2 1 1 A 6 6 PHE HA H 6 4.560 5.678 -1.118 1
1 28 . 2 1 1 A 6 6 PHE C C 6 173.700 174.660 -0.960 1
1 29 . 2 1 1 A 6 6 PHE CA C 6 57.600 55.497 2.103 1
1 30 . 2 1 1 A 6 6 PHE CB C 6 39.700 42.515 -2.815 1
1 31 . 2 1 1 A 6 6 PHE N N 6 122.500 122.087 0.413 1
1 32 . 2 1 1 A 7 7 PHE H H 7 8.230 8.596 -0.366 1
1 33 . 2 1 1 A 7 7 PHE HA H 7 4.530 4.673 -0.143 1
1 36 . 2 1 1 A 7 7 PHE C C 7 175.800 175.033 0.767 1
1 37 . 2 1 1 A 7 7 PHE CA C 7 57.600 56.404 1.196 1
1 38 . 2 1 1 A 7 7 PHE CB C 7 39.700 38.599 1.101 1
1 39 . 2 1 1 A 7 7 PHE N N 7 123.000 116.559 6.441 1
1 40 . 2 1 1 A 8 8 GLY H H 8 7.870 7.629 0.241 1
1 41 . 2 1 1 A 8 8 GLY HA2 H 8 3.800 4.104 -0.304 1
1 42 . 2 1 1 A 8 8 GLY HA3 H 8 3.750 4.182 -0.432 1
1 43 . 2 1 1 A 8 8 GLY C C 8 174.300 174.960 -0.660 1
1 44 . 2 1 1 A 8 8 GLY CA C 8 45.300 45.675 -0.375 1
1 45 . 2 1 1 A 8 8 GLY N N 8 111.200 107.210 3.990 1
1 46 . 2 1 1 A 9 9 GLY H H 9 7.930 8.551 -0.621 1
1 47 . 2 1 1 A 9 9 GLY HA2 H 9 3.920 3.861 0.059 1
1 48 . 2 1 1 A 9 9 GLY HA3 H 9 3.850 3.884 -0.034 1
1 49 . 2 1 1 A 9 9 GLY C C 9 175.200 173.856 1.344 1
1 50 . 2 1 1 A 9 9 GLY CA C 9 45.100 47.038 -1.938 1
1 51 . 2 1 1 A 9 9 GLY N N 9 108.400 107.920 0.480 1
1 52 . 2 1 1 A 10 10 GLU H H 10 8.400 8.184 0.216 1
1 53 . 2 1 1 A 10 10 GLU HA H 10 4.360 4.861 -0.501 1
1 58 . 2 1 1 A 10 10 GLU C C 10 178.400 176.042 2.358 1
1 59 . 2 1 1 A 10 10 GLU CA C 10 54.700 54.621 0.079 1
1 60 . 2 1 1 A 10 10 GLU CB C 10 36.700 33.462 3.238 1
1 62 . 2 1 1 A 10 10 GLU N N 10 122.600 119.295 3.305 1
1 63 . 2 1 1 A 11 11 VAL H H 11 7.940 8.562 -0.622 1
1 64 . 2 1 1 A 11 11 VAL HA H 11 3.680 4.298 -0.618 1
1 72 . 2 1 1 A 11 11 VAL C C 11 176.600 175.727 0.873 1
1 73 . 2 1 1 A 11 11 VAL CA C 11 63.800 61.045 2.755 1
1 74 . 2 1 1 A 11 11 VAL CB C 11 31.200 33.423 -2.223 1
1 77 . 2 1 1 A 11 11 VAL N N 11 120.300 121.587 -1.287 1
1 78 . 2 1 1 A 12 12 PHE H H 12 7.730 8.365 -0.635 1
1 79 . 2 1 1 A 12 12 PHE HA H 12 5.200 3.316 1.884 1
1 83 . 2 1 1 A 12 12 PHE C C 12 177.100 177.213 -0.113 1
1 84 . 2 1 1 A 12 12 PHE CA C 12 55.700 59.382 -3.682 1
1 85 . 2 1 1 A 12 12 PHE CB C 12 38.200 37.813 0.387 1
1 86 . 2 1 1 A 12 12 PHE N N 12 113.700 120.202 -6.502 1
1 87 . 2 1 1 A 13 13 GLN H H 13 8.080 7.603 0.477 1
1 88 . 2 1 1 A 13 13 GLN HA H 13 3.270 3.604 -0.334 1
1 95 . 2 1 1 A 13 13 GLN C C 13 175.400 177.349 -1.949 1
1 96 . 2 1 1 A 13 13 GLN CA C 13 62.100 58.479 3.621 1
1 97 . 2 1 1 A 13 13 GLN CB C 13 27.100 28.026 -0.926 1
1 99 . 2 1 1 A 13 13 GLN N N 13 126.400 119.663 6.737 1
1 100 . 2 1 1 A 14 14 ASN H H 14 8.580 7.593 0.987 1
1 101 . 2 1 1 A 14 14 ASN HA H 14 5.010 4.783 0.227 1
1 106 . 2 1 1 A 14 14 ASN C C 14 173.000 175.758 -2.758 1
1 107 . 2 1 1 A 14 14 ASN CA C 14 51.500 53.599 -2.099 1
1 108 . 2 1 1 A 14 14 ASN CB C 14 37.900 38.779 -0.879 1
1 109 . 2 1 1 A 14 14 ASN N N 14 115.900 115.898 0.002 1
1 111 . 2 1 1 A 15 15 HIS H H 15 6.070 7.813 -1.743 1
1 112 . 2 1 1 A 15 15 HIS HA H 15 4.370 4.552 -0.182 1
1 117 . 2 1 1 A 15 15 HIS C C 15 174.400 175.876 -1.476 1
1 118 . 2 1 1 A 15 15 HIS CA C 15 56.600 56.755 -0.155 1
1 119 . 2 1 1 A 15 15 HIS CB C 15 33.400 29.918 3.482 1
1 120 . 2 1 1 A 15 15 HIS N N 15 120.500 119.129 1.371 1
1 121 . 2 1 1 A 16 16 PHE H H 16 8.880 8.308 0.572 1
1 122 . 2 1 1 A 16 16 PHE HA H 16 4.870 4.677 0.193 1
1 125 . 2 1 1 A 16 16 PHE C C 16 174.300 175.805 -1.505 1
1 126 . 2 1 1 A 16 16 PHE CA C 16 57.100 57.367 -0.267 1
1 127 . 2 1 1 A 16 16 PHE CB C 16 39.700 40.124 -0.424 1
1 128 . 2 1 1 A 16 16 PHE N N 16 127.200 120.650 6.550 1
1 129 . 2 1 1 A 17 17 GLU H H 17 5.780 7.346 -1.566 1
1 130 . 2 1 1 A 17 17 GLU HA H 17 4.500 4.354 0.146 1
1 135 . 2 1 1 A 17 17 GLU C C 17 174.300 174.491 -0.191 1
1 136 . 2 1 1 A 17 17 GLU CA C 17 53.500 54.745 -1.245 1
1 137 . 2 1 1 A 17 17 GLU CB C 17 30.700 28.182 2.518 1
1 139 . 2 1 1 A 17 17 GLU N N 17 119.900 121.968 -2.068 1
1 140 . 2 1 1 A 18 18 PRO HA H 18 4.630 4.583 0.047 1
1 147 . 2 1 1 A 18 18 PRO C C 18 178.100 176.011 2.089 1
1 148 . 2 1 1 A 18 18 PRO CA C 18 62.700 62.462 0.238 1
1 149 . 2 1 1 A 18 18 PRO CB C 18 31.400 33.105 -1.705 1
1 152 . 2 1 1 A 19 19 GLY H H 19 8.820 8.380 0.440 1
1 153 . 2 1 1 A 19 19 GLY HA2 H 19 4.500 4.362 0.138 1
1 154 . 2 1 1 A 19 19 GLY HA3 H 19 3.630 4.588 -0.958 1
1 155 . 2 1 1 A 19 19 GLY C C 19 171.000 171.858 -0.858 1
1 156 . 2 1 1 A 19 19 GLY CA C 19 46.200 45.839 0.361 1
1 157 . 2 1 1 A 19 19 GLY N N 19 111.300 106.378 4.922 1
1 158 . 2 1 1 A 20 20 VAL H H 20 8.070 8.454 -0.384 1
1 159 . 2 1 1 A 20 20 VAL HA H 20 4.750 4.938 -0.188 1
1 167 . 2 1 1 A 20 20 VAL C C 20 172.300 173.456 -1.156 1
1 168 . 2 1 1 A 20 20 VAL CA C 20 60.200 59.996 0.204 1
1 169 . 2 1 1 A 20 20 VAL CB C 20 36.100 35.842 0.258 1
1 172 . 2 1 1 A 20 20 VAL N N 20 120.700 119.829 0.871 1
1 173 . 2 1 1 A 21 21 TYR H H 21 9.560 8.476 1.084 1
1 174 . 2 1 1 A 21 21 TYR HA H 21 5.230 4.928 0.302 1
1 177 . 2 1 1 A 21 21 TYR C C 21 175.600 174.417 1.183 1
1 178 . 2 1 1 A 21 21 TYR CA C 21 56.800 56.446 0.354 1
1 179 . 2 1 1 A 21 21 TYR CB C 21 39.200 41.943 -2.743 1
1 180 . 2 1 1 A 21 21 TYR N N 21 123.200 123.448 -0.248 1
1 181 . 2 1 1 A 22 22 VAL H H 22 9.400 8.262 1.138 1
1 182 . 2 1 1 A 22 22 VAL HA H 22 4.950 4.761 0.189 1
1 190 . 2 1 1 A 22 22 VAL C C 22 174.000 174.020 -0.020 1
1 191 . 2 1 1 A 22 22 VAL CA C 22 57.100 59.034 -1.934 1
1 192 . 2 1 1 A 22 22 VAL CB C 22 33.900 35.935 -2.035 1
1 195 . 2 1 1 A 22 22 VAL N N 22 119.100 119.305 -0.205 1
1 196 . 2 1 1 A 23 23 CYS H H 23 9.020 8.694 0.326 1
1 197 . 2 1 1 A 23 23 CYS HA H 23 4.260 4.560 -0.300 1
1 200 . 2 1 1 A 23 23 CYS C C 23 178.700 175.609 3.091 1
1 201 . 2 1 1 A 23 23 CYS CA C 23 60.600 59.111 1.489 1
1 202 . 2 1 1 A 23 23 CYS CB C 23 31.700 28.557 3.143 1
1 203 . 2 1 1 A 23 23 CYS N N 23 123.800 122.356 1.444 1
1 204 . 2 1 1 A 24 24 ALA H H 24 8.760 8.587 0.173 1
1 205 . 2 1 1 A 24 24 ALA HA H 24 3.840 3.966 -0.126 1
1 209 . 2 1 1 A 24 24 ALA C C 24 177.500 178.405 -0.905 1
1 210 . 2 1 1 A 24 24 ALA CA C 24 55.000 54.589 0.411 1
1 211 . 2 1 1 A 24 24 ALA CB C 24 18.700 18.366 0.334 1
1 212 . 2 1 1 A 24 24 ALA N N 24 131.900 128.958 2.942 1
1 213 . 2 1 1 A 25 25 LYS H H 25 9.200 7.812 1.388 1
1 214 . 2 1 1 A 25 25 LYS HA H 25 4.380 4.451 -0.071 1
1 222 . 2 1 1 A 25 25 LYS C C 25 178.100 178.692 -0.592 1
1 223 . 2 1 1 A 25 25 LYS CA C 25 57.900 57.559 0.341 1
1 224 . 2 1 1 A 25 25 LYS CB C 25 33.500 33.794 -0.294 1
1 228 . 2 1 1 A 25 25 LYS N N 25 120.000 115.219 4.781 1
1 229 . 2 1 1 A 26 26 CYS H H 26 8.730 7.947 0.783 1
1 230 . 2 1 1 A 26 26 CYS HA H 26 5.000 4.228 0.772 1
1 233 . 2 1 1 A 26 26 CYS C C 26 177.000 175.133 1.867 1
1 234 . 2 1 1 A 26 26 CYS CA C 26 59.400 62.184 -2.784 1
1 235 . 2 1 1 A 26 26 CYS CB C 26 32.900 27.425 5.475 1
1 236 . 2 1 1 A 26 26 CYS N N 26 120.900 117.735 3.165 1
1 237 . 2 1 1 A 27 27 SER H H 27 8.170 8.107 0.063 1
1 238 . 2 1 1 A 27 27 SER HA H 27 4.140 4.269 -0.129 1
1 241 . 2 1 1 A 27 27 SER C C 27 174.800 173.930 0.870 1
1 242 . 2 1 1 A 27 27 SER CA C 27 60.900 59.370 1.530 1
1 243 . 2 1 1 A 27 27 SER CB C 27 61.600 61.097 0.503 1
1 244 . 2 1 1 A 27 27 SER N N 27 115.800 115.497 0.303 1
1 245 . 2 1 1 A 28 28 TYR H H 28 9.010 7.825 1.185 1
1 246 . 2 1 1 A 28 28 TYR HA H 28 4.420 4.789 -0.369 1
1 249 . 2 1 1 A 28 28 TYR C C 28 176.600 174.965 1.635 1
1 250 . 2 1 1 A 28 28 TYR CA C 28 59.300 56.758 2.542 1
1 251 . 2 1 1 A 28 28 TYR CB C 28 39.600 39.150 0.450 1
1 252 . 2 1 1 A 28 28 TYR N N 28 127.100 122.643 4.457 1
1 253 . 2 1 1 A 29 29 GLU H H 29 7.730 8.612 -0.882 1
1 254 . 2 1 1 A 29 29 GLU HA H 29 3.670 4.567 -0.897 1
1 259 . 2 1 1 A 29 29 GLU C C 29 174.900 176.626 -1.726 1
1 260 . 2 1 1 A 29 29 GLU CA C 29 58.700 56.922 1.778 1
1 261 . 2 1 1 A 29 29 GLU CB C 29 29.800 30.034 -0.234 1
1 263 . 2 1 1 A 29 29 GLU N N 29 124.500 127.352 -2.852 1
1 264 . 2 1 1 A 30 30 LEU H H 30 7.940 8.922 -0.982 1
1 265 . 2 1 1 A 30 30 LEU HA H 30 4.140 4.965 -0.825 1
1 274 . 2 1 1 A 30 30 LEU C C 30 175.400 175.501 -0.101 1
1 275 . 2 1 1 A 30 30 LEU CA C 30 56.200 53.505 2.695 1
1 276 . 2 1 1 A 30 30 LEU CB C 30 46.700 45.526 1.174 1
1 277 . 2 1 1 A 30 30 LEU N N 30 121.800 121.474 0.326 1
1 278 . 2 1 1 A 31 31 PHE H H 31 7.880 8.643 -0.763 1
1 279 . 2 1 1 A 31 31 PHE HA H 31 4.720 4.815 -0.095 1
1 282 . 2 1 1 A 31 31 PHE C C 31 174.600 173.072 1.528 1
1 283 . 2 1 1 A 31 31 PHE CA C 31 56.600 58.148 -1.548 1
1 284 . 2 1 1 A 31 31 PHE CB C 31 45.300 41.768 3.532 1
1 285 . 2 1 1 A 31 31 PHE N N 31 113.300 122.411 -9.111 1
1 286 . 2 1 1 A 32 32 SER H H 32 10.030 7.265 2.765 1
1 287 . 2 1 1 A 32 32 SER HA H 32 4.860 4.577 0.283 1
1 290 . 2 1 1 A 32 32 SER CA C 32 57.000 55.687 1.313 1
1 291 . 2 1 1 A 32 32 SER CB C 32 63.700 66.304 -2.604 1
1 292 . 2 1 1 A 32 32 SER N N 32 118.700 120.952 -2.252 1
1 293 . 2 1 1 A 33 33 SER H H 33 8.990 8.482 0.508 1
1 294 . 2 1 1 A 33 33 SER HA H 33 4.840 4.092 0.748 1
1 297 . 2 1 1 A 33 33 SER C C 33 177.300 175.756 1.544 1
1 298 . 2 1 1 A 33 33 SER CA C 33 63.700 59.772 3.928 1
1 299 . 2 1 1 A 33 33 SER CB C 33 63.700 63.075 0.625 1
1 300 . 2 1 1 A 33 33 SER N N 33 123.100 118.938 4.162 1
1 301 . 2 1 1 A 34 34 HIS HA H 34 4.710 4.395 0.315 1
1 304 . 2 1 1 A 34 34 HIS C C 34 175.800 177.220 -1.420 1
1 305 . 2 1 1 A 34 34 HIS CA C 34 57.900 58.831 -0.931 1
1 306 . 2 1 1 A 34 34 HIS CB C 34 28.600 29.336 -0.736 1
1 307 . 2 1 1 A 35 35 SER H H 35 7.960 7.524 0.436 1
1 308 . 2 1 1 A 35 35 SER HA H 35 4.820 4.266 0.554 1
1 311 . 2 1 1 A 35 35 SER C C 35 173.200 174.667 -1.467 1
1 312 . 2 1 1 A 35 35 SER CA C 35 58.100 60.956 -2.856 1
1 313 . 2 1 1 A 35 35 SER CB C 35 65.300 62.482 2.818 1
1 314 . 2 1 1 A 35 35 SER N N 35 114.500 113.251 1.249 1
1 315 . 2 1 1 A 36 36 LYS H H 36 7.630 7.595 0.035 1
1 316 . 2 1 1 A 36 36 LYS HA H 36 4.890 4.960 -0.070 1
1 322 . 2 1 1 A 36 36 LYS C C 36 176.100 175.229 0.871 1
1 323 . 2 1 1 A 36 36 LYS CA C 36 55.400 55.324 0.076 1
1 324 . 2 1 1 A 36 36 LYS CB C 36 35.400 34.507 0.893 1
1 328 . 2 1 1 A 36 36 LYS N N 36 126.900 122.447 4.453 1
1 329 . 2 1 1 A 37 37 TYR H H 37 8.440 8.554 -0.114 1
1 330 . 2 1 1 A 37 37 TYR HA H 37 5.100 5.662 -0.562 1
1 333 . 2 1 1 A 37 37 TYR C C 37 172.800 173.244 -0.444 1
1 334 . 2 1 1 A 37 37 TYR CA C 37 55.400 55.229 0.171 1
1 335 . 2 1 1 A 37 37 TYR CB C 37 41.000 41.380 -0.380 1
1 336 . 2 1 1 A 37 37 TYR N N 37 124.200 120.835 3.365 1
1 337 . 2 1 1 A 38 38 ALA H H 38 8.590 8.518 0.072 1
1 338 . 2 1 1 A 38 38 ALA HA H 38 4.630 4.679 -0.049 1
1 342 . 2 1 1 A 38 38 ALA C C 38 175.900 177.216 -1.316 1
1 343 . 2 1 1 A 38 38 ALA CA C 38 52.500 51.891 0.609 1
1 344 . 2 1 1 A 38 38 ALA CB C 38 18.300 19.526 -1.226 1
1 345 . 2 1 1 A 38 38 ALA N N 38 125.100 123.061 2.039 1
1 346 . 2 1 1 A 39 39 HIS H H 39 8.080 8.577 -0.497 1
1 347 . 2 1 1 A 39 39 HIS HA H 39 4.620 5.055 -0.435 1
1 352 . 2 1 1 A 39 39 HIS C C 39 174.100 172.505 1.595 1
1 353 . 2 1 1 A 39 39 HIS CA C 39 57.000 56.073 0.927 1
1 354 . 2 1 1 A 39 39 HIS CB C 39 34.600 33.575 1.025 1
1 355 . 2 1 1 A 39 39 HIS N N 39 125.600 121.812 3.788 1
1 356 . 2 1 1 A 40 40 SER H H 40 6.860 8.228 -1.368 1
1 357 . 2 1 1 A 40 40 SER HA H 40 4.060 4.824 -0.764 1
1 360 . 2 1 1 A 40 40 SER C C 40 174.900 173.278 1.622 1
1 361 . 2 1 1 A 40 40 SER CA C 40 58.800 57.363 1.437 1
1 362 . 2 1 1 A 40 40 SER CB C 40 62.700 63.888 -1.188 1
1 363 . 2 1 1 A 40 40 SER N N 40 118.700 122.501 -3.801 1
1 364 . 2 1 1 A 41 41 SER H H 41 9.140 8.696 0.444 1
1 365 . 2 1 1 A 41 41 SER HA H 41 4.480 4.771 -0.291 1
1 368 . 2 1 1 A 41 41 SER C C 41 173.600 171.331 2.269 1
1 369 . 2 1 1 A 41 41 SER CA C 41 57.800 56.864 0.936 1
1 370 . 2 1 1 A 41 41 SER CB C 41 63.600 66.567 -2.967 1
1 371 . 2 1 1 A 41 41 SER N N 41 122.500 120.654 1.846 1
1 372 . 2 1 1 A 42 42 PRO HA H 42 4.040 4.120 -0.080 1
1 379 . 2 1 1 A 42 42 PRO C C 42 174.900 176.729 -1.829 1
1 380 . 2 1 1 A 42 42 PRO CA C 42 63.700 63.276 0.424 1
1 381 . 2 1 1 A 42 42 PRO CB C 42 31.500 31.823 -0.323 1
1 384 . 2 1 1 A 43 43 TRP H H 43 6.590 7.906 -1.316 1
1 385 . 2 1 1 A 43 43 TRP HA H 43 4.850 4.149 0.701 1
1 394 . 2 1 1 A 43 43 TRP C C 43 174.100 174.954 -0.854 1
1 395 . 2 1 1 A 43 43 TRP CA C 43 57.300 57.685 -0.385 1
1 396 . 2 1 1 A 43 43 TRP CB C 43 29.500 27.458 2.042 1
1 397 . 2 1 1 A 43 43 TRP N N 43 113.900 117.484 -3.584 1
1 399 . 2 1 1 A 44 44 PRO HA H 44 3.810 4.593 -0.783 1
1 405 . 2 1 1 A 44 44 PRO C C 44 174.800 175.383 -0.583 1
1 406 . 2 1 1 A 44 44 PRO CA C 44 63.200 62.453 0.747 1
1 407 . 2 1 1 A 44 44 PRO CB C 44 32.200 32.728 -0.528 1
1 410 . 2 1 1 A 45 45 ALA H H 45 7.850 8.007 -0.157 1
1 411 . 2 1 1 A 45 45 ALA HA H 45 5.260 4.465 0.795 1
1 415 . 2 1 1 A 45 45 ALA C C 45 174.800 175.433 -0.633 1
1 416 . 2 1 1 A 45 45 ALA CA C 45 50.100 50.248 -0.148 1
1 417 . 2 1 1 A 45 45 ALA CB C 45 20.800 22.982 -2.182 1
1 418 . 2 1 1 A 45 45 ALA N N 45 126.700 120.650 6.050 1
1 419 . 2 1 1 A 46 46 PHE H H 46 8.080 8.128 -0.048 1
1 420 . 2 1 1 A 46 46 PHE HA H 46 5.860 5.180 0.680 1
1 424 . 2 1 1 A 46 46 PHE C C 46 177.800 175.998 1.802 1
1 425 . 2 1 1 A 46 46 PHE CA C 46 54.800 57.231 -2.431 1
1 426 . 2 1 1 A 46 46 PHE CB C 46 44.500 41.721 2.779 1
1 427 . 2 1 1 A 46 46 PHE N N 46 115.600 115.203 0.397 1
1 428 . 2 1 1 A 47 47 THR H H 47 9.190 9.131 0.059 1
1 429 . 2 1 1 A 47 47 THR HA H 47 5.220 4.517 0.703 1
1 434 . 2 1 1 A 47 47 THR C C 47 175.000 174.689 0.311 1
1 435 . 2 1 1 A 47 47 THR CA C 47 63.000 66.193 -3.193 1
1 436 . 2 1 1 A 47 47 THR CB C 47 70.500 68.532 1.968 1
1 438 . 2 1 1 A 47 47 THR N N 47 109.900 118.045 -8.145 1
1 439 . 2 1 1 A 48 48 GLU H H 48 7.320 7.911 -0.591 1
1 440 . 2 1 1 A 48 48 GLU HA H 48 4.920 4.852 0.068 1
1 445 . 2 1 1 A 48 48 GLU C C 48 175.400 175.380 0.020 1
1 446 . 2 1 1 A 48 48 GLU CA C 48 55.200 54.938 0.262 1
1 447 . 2 1 1 A 48 48 GLU CB C 48 31.900 32.717 -0.817 1
1 449 . 2 1 1 A 48 48 GLU N N 48 115.400 118.828 -3.428 1
1 450 . 2 1 1 A 49 49 THR H H 49 8.150 8.328 -0.178 1
1 451 . 2 1 1 A 49 49 THR HA H 49 4.090 5.093 -1.003 1
1 456 . 2 1 1 A 49 49 THR C C 49 175.800 175.241 0.559 1
1 457 . 2 1 1 A 49 49 THR CA C 49 60.000 60.263 -0.263 1
1 458 . 2 1 1 A 49 49 THR CB C 49 70.400 71.582 -1.182 1
1 460 . 2 1 1 A 49 49 THR N N 49 111.400 110.872 0.528 1
1 461 . 2 1 1 A 50 50 ILE H H 50 7.720 8.776 -1.056 1
1 462 . 2 1 1 A 50 50 ILE HA H 50 3.630 4.036 -0.406 1
1 472 . 2 1 1 A 50 50 ILE C C 50 174.500 176.296 -1.796 1
1 473 . 2 1 1 A 50 50 ILE CA C 50 64.100 62.636 1.464 1
1 474 . 2 1 1 A 50 50 ILE CB C 50 38.700 38.683 0.017 1
1 478 . 2 1 1 A 50 50 ILE N N 50 121.700 123.023 -1.323 1
1 479 . 2 1 1 A 51 51 HIS H H 51 7.400 7.963 -0.563 1
1 480 . 2 1 1 A 51 51 HIS HA H 51 5.300 4.978 0.322 1
1 484 . 2 1 1 A 51 51 HIS C C 51 175.500 173.238 2.262 1
1 485 . 2 1 1 A 51 51 HIS CA C 51 51.800 53.409 -1.609 1
1 486 . 2 1 1 A 51 51 HIS CB C 51 29.700 30.092 -0.392 1
1 487 . 2 1 1 A 51 51 HIS N N 51 115.500 120.515 -5.015 1
1 488 . 2 1 1 A 52 52 PRO HA H 52 4.350 4.233 0.117 1
1 495 . 2 1 1 A 52 52 PRO C C 52 176.900 178.284 -1.384 1
1 496 . 2 1 1 A 52 52 PRO CA C 52 64.800 65.662 -0.862 1
1 497 . 2 1 1 A 52 52 PRO CB C 52 31.300 31.734 -0.434 1
1 500 . 2 1 1 A 53 53 ASP H H 53 8.070 9.138 -1.068 1
1 501 . 2 1 1 A 53 53 ASP HA H 53 4.760 4.459 0.301 1
1 504 . 2 1 1 A 53 53 ASP C C 53 176.900 177.272 -0.372 1
1 505 . 2 1 1 A 53 53 ASP CA C 53 52.100 55.974 -3.874 1
1 506 . 2 1 1 A 53 53 ASP CB C 53 39.700 39.424 0.276 1
1 507 . 2 1 1 A 53 53 ASP N N 53 114.300 117.639 -3.339 1
1 508 . 2 1 1 A 54 54 SER H H 54 7.720 8.072 -0.352 1
1 509 . 2 1 1 A 54 54 SER HA H 54 4.040 4.465 -0.425 1
1 512 . 2 1 1 A 54 54 SER C C 54 173.200 174.085 -0.885 1
1 513 . 2 1 1 A 54 54 SER CA C 54 64.100 59.452 4.648 1
1 514 . 2 1 1 A 54 54 SER CB C 54 64.200 63.813 0.387 1
1 515 . 2 1 1 A 54 54 SER N N 54 116.300 113.994 2.306 1
1 516 . 2 1 1 A 55 55 VAL H H 55 7.360 7.599 -0.239 1
1 517 . 2 1 1 A 55 55 VAL HA H 55 5.280 4.927 0.353 1
1 525 . 2 1 1 A 55 55 VAL C C 55 175.700 173.879 1.821 1
1 526 . 2 1 1 A 55 55 VAL CA C 55 57.300 59.479 -2.179 1
1 527 . 2 1 1 A 55 55 VAL CB C 55 34.800 35.805 -1.005 1
1 530 . 2 1 1 A 55 55 VAL N N 55 105.200 115.861 -10.661 1
1 531 . 2 1 1 A 56 56 THR H H 56 8.780 8.812 -0.032 1
1 532 . 2 1 1 A 56 56 THR HA H 56 4.530 5.144 -0.614 1
1 537 . 2 1 1 A 56 56 THR C C 56 173.800 173.188 0.612 1
1 538 . 2 1 1 A 56 56 THR CA C 56 60.500 59.483 1.017 1
1 539 . 2 1 1 A 56 56 THR CB C 56 70.400 71.602 -1.202 1
1 541 . 2 1 1 A 56 56 THR N N 56 116.000 117.262 -1.262 1
1 542 . 2 1 1 A 57 57 LYS H H 57 8.610 8.952 -0.342 1
1 543 . 2 1 1 A 57 57 LYS HA H 57 5.490 5.368 0.122 1
1 550 . 2 1 1 A 57 57 LYS C C 57 176.000 174.799 1.201 1
1 551 . 2 1 1 A 57 57 LYS CA C 57 54.600 54.053 0.547 1
1 552 . 2 1 1 A 57 57 LYS CB C 57 36.000 36.684 -0.684 1
1 556 . 2 1 1 A 57 57 LYS N N 57 121.900 124.736 -2.836 1
1 557 . 2 1 1 A 58 58 CYS H H 58 8.610 8.997 -0.387 1
1 558 . 2 1 1 A 58 58 CYS HA H 58 5.100 5.069 0.031 1
1 561 . 2 1 1 A 58 58 CYS CA C 58 55.200 56.490 -1.290 1
1 562 . 2 1 1 A 58 58 CYS CB C 58 29.700 30.680 -0.980 1
1 563 . 2 1 1 A 58 58 CYS N N 58 120.600 117.599 3.001 1
1 564 . 2 1 1 A 59 59 PRO HA H 59 4.590 4.545 0.045 1
1 571 . 2 1 1 A 59 59 PRO C C 59 176.600 176.740 -0.140 1
1 572 . 2 1 1 A 59 59 PRO CA C 59 63.700 62.411 1.289 1
1 573 . 2 1 1 A 59 59 PRO CB C 59 32.100 32.258 -0.158 1
1 576 . 2 1 1 A 60 60 GLU H H 60 8.630 8.043 0.587 1
1 577 . 2 1 1 A 60 60 GLU HA H 60 4.450 4.471 -0.021 1
1 582 . 2 1 1 A 60 60 GLU C C 60 176.900 176.982 -0.082 1
1 583 . 2 1 1 A 60 60 GLU CA C 60 55.700 56.426 -0.726 1
1 584 . 2 1 1 A 60 60 GLU CB C 60 30.500 30.440 0.060 1
1 586 . 2 1 1 A 60 60 GLU N N 60 123.900 121.060 2.840 1
1 587 . 2 1 1 A 61 61 LYS H H 61 8.780 8.940 -0.160 1
1 588 . 2 1 1 A 61 61 LYS HA H 61 3.930 4.449 -0.519 1
1 596 . 2 1 1 A 61 61 LYS C C 61 177.100 177.330 -0.230 1
1 597 . 2 1 1 A 61 61 LYS CA C 61 58.300 56.892 1.408 1
1 598 . 2 1 1 A 61 61 LYS CB C 61 31.900 34.559 -2.659 1
1 602 . 2 1 1 A 61 61 LYS N N 61 127.000 123.496 3.504 1
1 603 . 2 1 1 A 62 62 ASN H H 62 8.870 8.287 0.583 1
1 604 . 2 1 1 A 62 62 ASN HA H 62 4.520 4.945 -0.425 1
1 609 . 2 1 1 A 62 62 ASN C C 62 174.400 175.130 -0.730 1
1 610 . 2 1 1 A 62 62 ASN CA C 62 54.000 52.341 1.659 1
1 611 . 2 1 1 A 62 62 ASN CB C 62 38.000 39.666 -1.666 1
1 612 . 2 1 1 A 62 62 ASN N N 62 117.000 113.084 3.916 1
1 613 . 2 1 1 A 63 63 ARG H H 63 7.430 7.801 -0.371 1
1 614 . 2 1 1 A 63 63 ARG HA H 63 4.810 4.801 0.009 1
1 622 . 2 1 1 A 63 63 ARG C C 63 172.300 174.136 -1.836 1
1 623 . 2 1 1 A 63 63 ARG CA C 63 53.800 53.600 0.200 1
1 624 . 2 1 1 A 63 63 ARG CB C 63 31.300 30.961 0.339 1
1 627 . 2 1 1 A 63 63 ARG N N 63 119.200 119.415 -0.215 1
1 629 . 2 1 1 A 64 64 PRO HA H 64 4.350 4.527 -0.177 1
1 636 . 2 1 1 A 64 64 PRO C C 64 176.900 175.953 0.947 1
1 637 . 2 1 1 A 64 64 PRO CA C 64 64.200 62.887 1.313 1
1 638 . 2 1 1 A 64 64 PRO CB C 64 31.800 29.776 2.024 1
1 641 . 2 1 1 A 65 65 GLU H H 65 9.210 8.626 0.584 1
1 642 . 2 1 1 A 65 65 GLU HA H 65 4.280 4.424 -0.144 1
1 647 . 2 1 1 A 65 65 GLU C C 65 174.300 174.987 -0.687 1
1 648 . 2 1 1 A 65 65 GLU CA C 65 56.600 55.892 0.708 1
1 649 . 2 1 1 A 65 65 GLU CB C 65 28.200 31.363 -3.163 1
1 651 . 2 1 1 A 65 65 GLU N N 65 117.000 120.161 -3.161 1
1 652 . 2 1 1 A 66 66 ALA H H 66 8.040 7.074 0.966 1
1 653 . 2 1 1 A 66 66 ALA HA H 66 5.230 4.182 1.048 1
1 657 . 2 1 1 A 66 66 ALA C C 66 174.900 174.915 -0.015 1
1 658 . 2 1 1 A 66 66 ALA CA C 66 50.300 51.404 -1.104 1
1 659 . 2 1 1 A 66 66 ALA CB C 66 22.200 22.299 -0.099 1
1 660 . 2 1 1 A 66 66 ALA N N 66 124.800 120.496 4.304 1
1 661 . 2 1 1 A 67 67 LEU H H 67 8.710 8.205 0.505 1
1 662 . 2 1 1 A 67 67 LEU HA H 67 4.800 4.933 -0.133 1
1 672 . 2 1 1 A 67 67 LEU C C 67 177.200 175.626 1.574 1
1 673 . 2 1 1 A 67 67 LEU CA C 67 52.800 53.383 -0.583 1
1 674 . 2 1 1 A 67 67 LEU CB C 67 43.200 45.931 -2.731 1
1 678 . 2 1 1 A 67 67 LEU N N 67 120.400 118.805 1.595 1
1 679 . 2 1 1 A 68 68 LYS H H 68 9.180 8.855 0.325 1
1 680 . 2 1 1 A 68 68 LYS HA H 68 4.050 4.345 -0.295 1
1 689 . 2 1 1 A 68 68 LYS C C 68 176.900 175.691 1.209 1
1 690 . 2 1 1 A 68 68 LYS CA C 68 57.100 55.530 1.570 1
1 691 . 2 1 1 A 68 68 LYS CB C 68 32.600 33.971 -1.371 1
1 695 . 2 1 1 A 68 68 LYS N N 68 125.300 122.929 2.371 1
1 696 . 2 1 1 A 69 69 VAL H H 69 8.150 8.415 -0.265 1
1 697 . 2 1 1 A 69 69 VAL HA H 69 5.240 4.909 0.331 1
1 705 . 2 1 1 A 69 69 VAL C C 69 174.900 174.367 0.533 1
1 706 . 2 1 1 A 69 69 VAL CA C 69 59.900 60.365 -0.465 1
1 707 . 2 1 1 A 69 69 VAL CB C 69 34.700 35.775 -1.075 1
1 710 . 2 1 1 A 69 69 VAL N N 69 121.600 122.297 -0.697 1
1 711 . 2 1 1 A 70 70 SER H H 70 8.610 8.935 -0.325 1
1 712 . 2 1 1 A 70 70 SER HA H 70 5.210 5.074 0.136 1
1 715 . 2 1 1 A 70 70 SER C C 70 171.900 172.498 -0.598 1
1 716 . 2 1 1 A 70 70 SER CA C 70 56.600 56.980 -0.380 1
1 717 . 2 1 1 A 70 70 SER CB C 70 65.600 66.439 -0.839 1
1 718 . 2 1 1 A 70 70 SER N N 70 120.600 118.906 1.694 1
1 719 . 2 1 1 A 71 71 CYS H H 71 9.280 8.534 0.746 1
1 720 . 2 1 1 A 71 71 CYS HA H 71 4.130 4.593 -0.463 1
1 723 . 2 1 1 A 71 71 CYS C C 71 178.600 175.289 3.311 1
1 724 . 2 1 1 A 71 71 CYS CA C 71 61.600 58.154 3.446 1
1 725 . 2 1 1 A 71 71 CYS CB C 71 31.300 26.781 4.519 1
1 726 . 2 1 1 A 71 71 CYS N N 71 126.700 122.339 4.361 1
1 727 . 2 1 1 A 72 72 GLY H H 72 9.140 8.215 0.925 1
1 728 . 2 1 1 A 72 72 GLY HA2 H 72 3.760 3.868 -0.108 1
1 729 . 2 1 1 A 72 72 GLY HA3 H 72 3.670 3.871 -0.201 1
1 730 . 2 1 1 A 72 72 GLY C C 72 172.500 176.001 -3.501 1
1 731 . 2 1 1 A 72 72 GLY CA C 72 46.200 47.217 -1.017 1
1 732 . 2 1 1 A 72 72 GLY N N 72 120.100 113.733 6.367 1
1 733 . 2 1 1 A 73 73 LYS H H 73 9.090 8.003 1.087 1
1 734 . 2 1 1 A 73 73 LYS HA H 73 4.210 4.030 0.180 1
1 742 . 2 1 1 A 73 73 LYS C C 73 177.600 178.296 -0.696 1
1 743 . 2 1 1 A 73 73 LYS CA C 73 56.600 59.094 -2.494 1
1 744 . 2 1 1 A 73 73 LYS CB C 73 32.700 32.080 0.620 1
1 748 . 2 1 1 A 73 73 LYS N N 73 124.400 120.901 3.499 1
1 749 . 2 1 1 A 74 74 CYS H H 74 8.590 7.628 0.962 1
1 750 . 2 1 1 A 74 74 CYS HA H 74 4.910 4.578 0.332 1
1 753 . 2 1 1 A 74 74 CYS C C 74 177.400 175.374 2.026 1
1 754 . 2 1 1 A 74 74 CYS CA C 74 58.900 58.884 0.016 1
1 755 . 2 1 1 A 74 74 CYS CB C 74 33.300 29.748 3.552 1
1 756 . 2 1 1 A 74 74 CYS N N 74 119.700 114.561 5.139 1
1 757 . 2 1 1 A 75 75 GLY H H 75 7.760 8.768 -1.008 1
1 758 . 2 1 1 A 75 75 GLY HA2 H 75 4.210 3.969 0.241 1
1 759 . 2 1 1 A 75 75 GLY HA3 H 75 3.750 3.972 -0.222 1
1 760 . 2 1 1 A 75 75 GLY C C 75 174.000 174.192 -0.192 1
1 761 . 2 1 1 A 75 75 GLY CA C 75 46.100 46.534 -0.434 1
1 762 . 2 1 1 A 75 75 GLY N N 75 113.000 111.039 1.961 1
1 763 . 2 1 1 A 76 76 ASN H H 76 9.050 7.802 1.248 1
1 764 . 2 1 1 A 76 76 ASN HA H 76 4.500 5.129 -0.629 1
1 769 . 2 1 1 A 76 76 ASN C C 76 178.700 174.116 4.584 1
1 770 . 2 1 1 A 76 76 ASN CA C 76 54.700 51.572 3.128 1
1 771 . 2 1 1 A 76 76 ASN CB C 76 39.800 40.608 -0.808 1
1 772 . 2 1 1 A 76 76 ASN N N 76 123.700 118.527 5.173 1
1 774 . 2 1 1 A 77 77 GLY H H 77 8.660 8.536 0.124 1
1 775 . 2 1 1 A 77 77 GLY HA2 H 77 3.970 4.260 -0.290 1
1 776 . 2 1 1 A 77 77 GLY HA3 H 77 3.710 4.273 -0.563 1
1 777 . 2 1 1 A 77 77 GLY C C 77 173.800 174.321 -0.521 1
1 778 . 2 1 1 A 77 77 GLY CA C 77 47.300 45.666 1.634 1
1 779 . 2 1 1 A 77 77 GLY N N 77 115.600 107.784 7.816 1
1 780 . 2 1 1 A 78 78 LEU H H 78 8.600 8.472 0.128 1
1 781 . 2 1 1 A 78 78 LEU HA H 78 4.810 4.912 -0.102 1
1 791 . 2 1 1 A 78 78 LEU C C 78 173.800 176.706 -2.906 1
1 792 . 2 1 1 A 78 78 LEU CA C 78 54.900 54.250 0.650 1
1 793 . 2 1 1 A 78 78 LEU CB C 78 45.000 43.988 1.012 1
1 797 . 2 1 1 A 78 78 LEU N N 78 122.700 119.335 3.365 1
1 798 . 2 1 1 A 79 79 GLY H H 79 7.100 7.633 -0.533 1
1 799 . 2 1 1 A 79 79 GLY HA2 H 79 4.650 4.062 0.588 1
1 800 . 2 1 1 A 79 79 GLY HA3 H 79 3.020 4.093 -1.073 1
1 801 . 2 1 1 A 79 79 GLY C C 79 173.000 172.605 0.395 1
1 802 . 2 1 1 A 79 79 GLY CA C 79 44.900 44.053 0.847 1
1 803 . 2 1 1 A 79 79 GLY N N 79 102.400 107.975 -5.575 1
1 804 . 2 1 1 A 80 80 HIS H H 80 8.580 8.585 -0.005 1
1 805 . 2 1 1 A 80 80 HIS HA H 80 5.470 5.403 0.067 1
1 810 . 2 1 1 A 80 80 HIS C C 80 172.300 174.037 -1.737 1
1 811 . 2 1 1 A 80 80 HIS CA C 80 55.000 54.523 0.477 1
1 812 . 2 1 1 A 80 80 HIS CB C 80 34.500 34.519 -0.019 1
1 813 . 2 1 1 A 80 80 HIS N N 80 122.400 119.336 3.064 1
1 814 . 2 1 1 A 81 81 GLU H H 81 9.260 9.413 -0.153 1
1 815 . 2 1 1 A 81 81 GLU HA H 81 4.100 5.245 -1.145 1
1 820 . 2 1 1 A 81 81 GLU C C 81 174.300 174.926 -0.626 1
1 821 . 2 1 1 A 81 81 GLU CA C 81 54.700 55.618 -0.918 1
1 822 . 2 1 1 A 81 81 GLU CB C 81 31.600 33.103 -1.503 1
1 824 . 2 1 1 A 81 81 GLU N N 81 123.700 121.050 2.650 1
1 825 . 2 1 1 A 82 82 PHE H H 82 9.150 9.224 -0.074 1
1 826 . 2 1 1 A 82 82 PHE HA H 82 5.080 4.769 0.311 1
1 830 . 2 1 1 A 82 82 PHE C C 82 174.300 174.534 -0.234 1
1 831 . 2 1 1 A 82 82 PHE CA C 82 56.700 56.348 0.352 1
1 832 . 2 1 1 A 82 82 PHE CB C 82 38.800 38.485 0.315 1
1 833 . 2 1 1 A 82 82 PHE N N 82 126.900 129.248 -2.348 1
1 834 . 2 1 1 A 83 83 LEU H H 83 8.280 8.291 -0.011 1
1 835 . 2 1 1 A 83 83 LEU HA H 83 4.100 4.736 -0.636 1
1 845 . 2 1 1 A 83 83 LEU C C 83 176.200 177.268 -1.068 1
1 846 . 2 1 1 A 83 83 LEU CA C 83 55.500 53.640 1.860 1
1 847 . 2 1 1 A 83 83 LEU CB C 83 42.000 43.737 -1.737 1
1 849 . 2 1 1 A 83 83 LEU N N 83 126.900 126.083 0.817 1
1 850 . 2 1 1 A 84 84 ASN H H 84 9.260 9.040 0.220 1
1 851 . 2 1 1 A 84 84 ASN HA H 84 4.290 4.457 -0.167 1
1 856 . 2 1 1 A 84 84 ASN C C 84 174.400 174.988 -0.588 1
1 857 . 2 1 1 A 84 84 ASN CA C 84 54.800 54.417 0.383 1
1 858 . 2 1 1 A 84 84 ASN CB C 84 37.900 38.463 -0.563 1
1 859 . 2 1 1 A 84 84 ASN N N 84 116.900 119.890 -2.990 1
1 861 . 2 1 1 A 85 85 ASP H H 85 7.140 8.040 -0.900 1
1 862 . 2 1 1 A 85 85 ASP HA H 85 5.200 4.928 0.272 1
1 865 . 2 1 1 A 85 85 ASP C C 85 176.000 176.238 -0.238 1
1 866 . 2 1 1 A 85 85 ASP CA C 85 53.800 54.898 -1.098 1
1 867 . 2 1 1 A 85 85 ASP CB C 85 45.500 43.025 2.475 1
1 868 . 2 1 1 A 85 85 ASP N N 85 117.200 118.867 -1.667 1
1 869 . 2 1 1 A 86 86 GLY H H 86 8.230 8.014 0.216 1
1 870 . 2 1 1 A 86 86 GLY HA2 H 86 4.140 4.488 -0.348 1
1 871 . 2 1 1 A 86 86 GLY HA3 H 86 3.280 4.492 -1.212 1
1 872 . 2 1 1 A 86 86 GLY C C 86 171.700 173.561 -1.861 1
1 873 . 2 1 1 A 86 86 GLY CA C 86 44.600 46.086 -1.486 1
1 874 . 2 1 1 A 86 86 GLY N N 86 107.600 106.283 1.317 1
1 875 . 2 1 1 A 87 87 PRO HA H 87 4.190 4.345 -0.155 1
1 882 . 2 1 1 A 87 87 PRO C C 87 177.000 178.352 -1.352 1
1 883 . 2 1 1 A 87 87 PRO CA C 87 65.200 64.644 0.556 1
1 884 . 2 1 1 A 87 87 PRO CB C 87 31.700 32.193 -0.493 1
1 887 . 2 1 1 A 88 88 LYS H H 88 7.310 8.182 -0.872 1
1 888 . 2 1 1 A 88 88 LYS HA H 88 4.480 4.345 0.135 1
1 897 . 2 1 1 A 88 88 LYS C C 88 175.700 177.484 -1.784 1
1 898 . 2 1 1 A 88 88 LYS CA C 88 53.700 58.691 -4.991 1
1 899 . 2 1 1 A 88 88 LYS CB C 88 34.900 32.767 2.133 1
1 903 . 2 1 1 A 88 88 LYS N N 88 116.200 116.913 -0.713 1
1 904 . 2 1 1 A 89 89 ARG H H 89 8.320 7.668 0.652 1
1 905 . 2 1 1 A 89 89 ARG HA H 89 4.010 4.389 -0.379 1
1 912 . 2 1 1 A 89 89 ARG C C 89 177.500 177.773 -0.273 1
1 913 . 2 1 1 A 89 89 ARG CA C 89 57.900 56.719 1.181 1
1 914 . 2 1 1 A 89 89 ARG CB C 89 32.100 31.059 1.041 1
1 917 . 2 1 1 A 89 89 ARG N N 89 122.200 119.423 2.777 1
1 919 . 2 1 1 A 90 90 GLY H H 90 8.950 8.653 0.297 1
1 920 . 2 1 1 A 90 90 GLY HA2 H 90 4.240 3.940 0.300 1
1 921 . 2 1 1 A 90 90 GLY HA3 H 90 3.850 3.943 -0.093 1
1 922 . 2 1 1 A 90 90 GLY C C 90 175.000 174.210 0.790 1
1 923 . 2 1 1 A 90 90 GLY CA C 90 45.100 45.338 -0.238 1
1 924 . 2 1 1 A 90 90 GLY N N 90 115.100 111.674 3.426 1
1 925 . 2 1 1 A 91 91 GLN H H 91 8.120 7.658 0.462 1
1 926 . 2 1 1 A 91 91 GLN HA H 91 4.580 4.296 0.284 1
1 933 . 2 1 1 A 91 91 GLN C C 91 177.000 175.157 1.843 1
1 934 . 2 1 1 A 91 91 GLN CA C 91 55.900 56.811 -0.911 1
1 935 . 2 1 1 A 91 91 GLN CB C 91 31.000 29.672 1.328 1
1 937 . 2 1 1 A 91 91 GLN N N 91 120.900 120.653 0.247 1
1 938 . 2 1 1 A 92 92 SER H H 92 9.210 8.894 0.316 1
1 939 . 2 1 1 A 92 92 SER HA H 92 4.820 5.068 -0.248 1
1 942 . 2 1 1 A 92 92 SER C C 92 171.600 172.784 -1.184 1
1 943 . 2 1 1 A 92 92 SER CA C 92 57.700 57.948 -0.248 1
1 944 . 2 1 1 A 92 92 SER CB C 92 65.200 66.124 -0.924 1
1 945 . 2 1 1 A 92 92 SER N N 92 120.900 116.336 4.564 1
1 946 . 2 1 1 A 93 93 ARG H H 93 7.820 8.956 -1.136 1
1 947 . 2 1 1 A 93 93 ARG HA H 93 4.950 4.946 0.004 1
1 952 . 2 1 1 A 93 93 ARG C C 93 176.400 174.550 1.850 1
1 953 . 2 1 1 A 93 93 ARG CA C 93 55.200 55.242 -0.042 1
1 954 . 2 1 1 A 93 93 ARG CB C 93 34.600 31.166 3.434 1
1 957 . 2 1 1 A 93 93 ARG N N 93 117.800 125.828 -8.028 1
1 958 . 2 1 1 A 94 94 PHE H H 94 9.860 9.084 0.776 1
1 959 . 2 1 1 A 94 94 PHE HA H 94 4.780 5.430 -0.650 1
1 962 . 2 1 1 A 94 94 PHE C C 94 176.400 173.591 2.809 1
1 963 . 2 1 1 A 94 94 PHE CA C 94 58.300 55.916 2.384 1
1 964 . 2 1 1 A 94 94 PHE CB C 94 38.500 40.923 -2.423 1
1 965 . 2 1 1 A 94 94 PHE N N 94 127.100 124.948 2.152 1
1 966 . 2 1 1 A 95 95 CYS H H 95 9.190 8.884 0.306 1
1 967 . 2 1 1 A 95 95 CYS HA H 95 4.810 4.718 0.092 1
1 970 . 2 1 1 A 95 95 CYS CA C 95 57.300 57.057 0.243 1
1 971 . 2 1 1 A 95 95 CYS CB C 95 28.700 29.043 -0.343 1
1 972 . 2 1 1 A 95 95 CYS N N 95 128.200 126.338 1.862 1
1 973 . 2 1 1 A 96 96 ILE H H 96 7.510 8.646 -1.136 1
1 974 . 2 1 1 A 96 96 ILE HA H 96 4.620 4.559 0.061 1
1 983 . 2 1 1 A 96 96 ILE C C 96 173.700 175.234 -1.534 1
1 984 . 2 1 1 A 96 96 ILE CA C 96 55.800 58.862 -3.062 1
1 985 . 2 1 1 A 96 96 ILE CB C 96 39.900 40.709 -0.809 1
1 989 . 2 1 1 A 96 96 ILE N N 96 130.700 129.153 1.547 1
1 990 . 2 1 1 A 97 97 PHE H H 97 8.040 8.720 -0.680 1
1 991 . 2 1 1 A 97 97 PHE HA H 97 4.920 4.539 0.381 1
1 994 . 2 1 1 A 97 97 PHE C C 97 178.800 177.389 1.411 1
1 995 . 2 1 1 A 97 97 PHE CA C 97 57.500 58.393 -0.893 1
1 996 . 2 1 1 A 97 97 PHE CB C 97 38.400 39.828 -1.428 1
1 997 . 2 1 1 A 97 97 PHE N N 97 122.400 126.164 -3.764 1
1 998 . 2 1 1 A 98 98 SER HA H 98 4.380 4.260 0.120 1
1 1001 . 2 1 1 A 98 98 SER C C 98 176.400 175.824 0.576 1
1 1002 . 2 1 1 A 98 98 SER CA C 98 64.900 60.787 4.113 1
1 1003 . 2 1 1 A 98 98 SER CB C 98 63.600 62.643 0.957 1
1 1004 . 2 1 1 A 99 99 SER H H 99 9.360 7.926 1.434 1
1 1005 . 2 1 1 A 99 99 SER HA H 99 4.300 4.237 0.063 1
1 1008 . 2 1 1 A 99 99 SER C C 99 175.800 176.846 -1.046 1
1 1009 . 2 1 1 A 99 99 SER CA C 99 60.200 60.623 -0.423 1
1 1010 . 2 1 1 A 99 99 SER CB C 99 62.700 62.962 -0.262 1
1 1011 . 2 1 1 A 99 99 SER N N 99 114.100 117.107 -3.007 1
1 1012 . 2 1 1 A 100 100 SER H H 100 8.150 7.845 0.305 1
1 1013 . 2 1 1 A 100 100 SER HA H 100 4.630 4.342 0.288 1
1 1016 . 2 1 1 A 100 100 SER C C 100 173.500 173.585 -0.085 1
1 1017 . 2 1 1 A 100 100 SER CA C 100 60.400 61.056 -0.656 1
1 1018 . 2 1 1 A 100 100 SER CB C 100 63.600 63.945 -0.345 1
1 1019 . 2 1 1 A 100 100 SER N N 100 118.700 114.625 4.075 1
1 1020 . 2 1 1 A 101 101 LEU H H 101 8.100 7.613 0.487 1
1 1021 . 2 1 1 A 101 101 LEU HA H 101 5.570 4.838 0.732 1
1 1031 . 2 1 1 A 101 101 LEU C C 101 176.000 174.932 1.068 1
1 1032 . 2 1 1 A 101 101 LEU CA C 101 53.400 53.209 0.191 1
1 1033 . 2 1 1 A 101 101 LEU CB C 101 46.700 46.838 -0.138 1
1 1036 . 2 1 1 A 101 101 LEU N N 101 122.000 119.575 2.425 1
1 1037 . 2 1 1 A 102 102 LYS H H 102 8.950 8.395 0.555 1
1 1038 . 2 1 1 A 102 102 LYS HA H 102 4.710 4.987 -0.277 1
1 1045 . 2 1 1 A 102 102 LYS C C 102 174.400 174.701 -0.301 1
1 1046 . 2 1 1 A 102 102 LYS CA C 102 55.400 54.174 1.226 1
1 1047 . 2 1 1 A 102 102 LYS CB C 102 36.500 35.947 0.553 1
1 1051 . 2 1 1 A 102 102 LYS N N 102 119.500 119.751 -0.251 1
1 1052 . 2 1 1 A 103 103 PHE H H 103 9.010 8.978 0.032 1
1 1053 . 2 1 1 A 103 103 PHE HA H 103 4.750 5.416 -0.666 1
1 1056 . 2 1 1 A 103 103 PHE C C 103 173.900 173.267 0.633 1
1 1057 . 2 1 1 A 103 103 PHE CA C 103 57.100 56.148 0.952 1
1 1058 . 2 1 1 A 103 103 PHE CB C 103 41.300 42.095 -0.795 1
1 1059 . 2 1 1 A 103 103 PHE N N 103 124.500 123.770 0.730 1
1 1060 . 2 1 1 A 104 104 VAL H H 104 8.550 8.924 -0.374 1
1 1061 . 2 1 1 A 104 104 VAL HA H 104 4.140 4.923 -0.783 1
1 1069 . 2 1 1 A 104 104 VAL C C 104 172.800 173.986 -1.186 1
1 1070 . 2 1 1 A 104 104 VAL CA C 104 58.800 58.958 -0.158 1
1 1071 . 2 1 1 A 104 104 VAL CB C 104 32.300 33.409 -1.109 1
1 1074 . 2 1 1 A 104 104 VAL N N 104 132.000 127.834 4.166 1
1 1075 . 2 1 1 A 105 105 PRO HA H 105 4.110 4.913 -0.803 1
1 1082 . 2 1 1 A 105 105 PRO C C 105 176.400 175.389 1.011 1
1 1083 . 2 1 1 A 105 105 PRO CA C 105 62.400 62.927 -0.527 1
1 1084 . 2 1 1 A 105 105 PRO CB C 105 32.400 32.686 -0.286 1
1 1087 . 2 1 1 A 106 106 LYS H H 106 7.900 8.841 -0.941 1
1 1088 . 2 1 1 A 106 106 LYS HA H 106 4.170 4.860 -0.690 1
1 1096 . 2 1 1 A 106 106 LYS C C 106 176.900 175.103 1.797 1
1 1097 . 2 1 1 A 106 106 LYS CA C 106 56.700 54.614 2.086 1
1 1098 . 2 1 1 A 106 106 LYS CB C 106 33.500 34.985 -1.485 1
1 1102 . 2 1 1 A 106 106 LYS N N 106 123.200 122.131 1.069 1
1 1103 . 2 1 1 A 107 107 GLY H H 107 8.740 8.336 0.404 1
1 1104 . 2 1 1 A 107 107 GLY HA2 H 107 3.930 4.123 -0.193 1
1 1105 . 2 1 1 A 107 107 GLY HA3 H 107 3.960 4.138 -0.178 1
1 1106 . 2 1 1 A 107 107 GLY C C 107 174.000 174.782 -0.782 1
1 1107 . 2 1 1 A 107 107 GLY CA C 107 45.000 45.691 -0.691 1
1 1108 . 2 1 1 A 107 107 GLY N N 107 113.500 107.789 5.711 1
1 1109 . 2 1 1 A 108 108 LYS H H 108 8.240 8.254 -0.014 1
1 1110 . 2 1 1 A 108 108 LYS HA H 108 4.290 4.193 0.097 1
1 1118 . 2 1 1 A 108 108 LYS C C 108 176.700 178.613 -1.913 1
1 1119 . 2 1 1 A 108 108 LYS CA C 108 56.000 58.286 -2.286 1
1 1120 . 2 1 1 A 108 108 LYS CB C 108 32.700 32.962 -0.262 1
1 1124 . 2 1 1 A 108 108 LYS N N 108 121.500 120.157 1.343 1
1 1125 . 2 1 1 A 109 109 GLU H H 109 8.650 8.166 0.484 1
1 1126 . 2 1 1 A 109 109 GLU HA H 109 4.180 4.082 0.098 1
1 1131 . 2 1 1 A 109 109 GLU C C 109 176.500 176.268 0.232 1
1 1132 . 2 1 1 A 109 109 GLU CA C 109 56.600 59.403 -2.803 1
1 1133 . 2 1 1 A 109 109 GLU CB C 109 29.900 29.352 0.548 1
1 1135 . 2 1 1 A 109 109 GLU N N 109 122.800 119.189 3.611 1
1 1136 . 2 1 1 A 110 110 ALA H H 110 8.400 7.936 0.464 1
1 1137 . 2 1 1 A 110 110 ALA HA H 110 4.190 4.059 0.131 1
1 1141 . 2 1 1 A 110 110 ALA CA C 110 52.500 53.388 -0.888 1
1 1142 . 2 1 1 A 110 110 ALA CB C 110 19.000 17.264 1.736 1
1 1143 . 2 1 1 A 110 110 ALA N N 110 126.100 121.183 4.917 1
1 1144 . 2 1 1 A 111 111 ALA H H 111 8.240 8.280 -0.040 1
1 1145 . 2 1 1 A 111 111 ALA HA H 111 4.220 4.061 0.159 1
1 1149 . 2 1 1 A 111 111 ALA C C 111 177.800 176.933 0.867 1
1 1150 . 2 1 1 A 111 111 ALA CA C 111 52.600 54.767 -2.167 1
1 1151 . 2 1 1 A 111 111 ALA CB C 111 19.000 18.181 0.819 1
1 1152 . 2 1 1 A 111 111 ALA N N 111 123.800 111.348 12.452 1
1 1153 . 2 1 1 A 112 112 ALA H H 112 8.220 8.557 -0.337 1
1 1154 . 2 1 1 A 112 112 ALA HA H 112 4.250 4.095 0.155 1
1 1158 . 2 1 1 A 112 112 ALA C C 112 178.100 176.590 1.510 1
1 1159 . 2 1 1 A 112 112 ALA CA C 112 52.600 52.688 -0.088 1
1 1160 . 2 1 1 A 112 112 ALA CB C 112 19.100 17.770 1.330 1
1 1161 . 2 1 1 A 112 112 ALA N N 112 123.600 119.390 4.210 1
1 1162 . 2 1 1 A 113 113 SER H H 113 8.200 7.952 0.248 1
1 1163 . 2 1 1 A 113 113 SER HA H 113 4.360 4.887 -0.527 1
1 1166 . 2 1 1 A 113 113 SER C C 113 174.800 173.381 1.419 1
1 1167 . 2 1 1 A 113 113 SER CA C 113 58.300 56.701 1.599 1
1 1168 . 2 1 1 A 113 113 SER CB C 113 63.500 62.938 0.562 1
1 1169 . 2 1 1 A 113 113 SER N N 113 115.400 114.057 1.343 1
1 1170 . 2 1 1 A 114 114 GLN H H 114 8.320 8.863 -0.543 1
1 1171 . 2 1 1 A 114 114 GLN HA H 114 4.290 4.649 -0.359 1
1 1178 . 2 1 1 A 114 114 GLN C C 114 176.500 175.348 1.152 1
1 1179 . 2 1 1 A 114 114 GLN CA C 114 55.900 55.443 0.457 1
1 1180 . 2 1 1 A 114 114 GLN CB C 114 29.300 29.722 -0.422 1
1 1182 . 2 1 1 A 114 114 GLN N N 114 122.500 124.021 -1.521 1
1 1183 . 2 1 1 A 115 115 GLY H H 115 8.370 8.464 -0.094 1
1 1184 . 2 1 1 A 115 115 GLY HA2 H 115 3.850 4.183 -0.333 1
1 1185 . 2 1 1 A 115 115 GLY HA3 H 115 3.850 4.222 -0.372 1
1 1186 . 2 1 1 A 115 115 GLY C C 115 173.900 172.036 1.864 1
1 1187 . 2 1 1 A 115 115 GLY CA C 115 45.400 46.058 -0.658 1
1 1188 . 2 1 1 A 115 115 GLY N N 115 110.000 111.461 -1.461 1
1 1189 . 2 1 1 A 116 116 HIS H H 116 8.290 8.815 -0.525 1
1 1190 . 2 1 1 A 116 116 HIS HA H 116 4.620 5.121 -0.501 1
1 1195 . 2 1 1 A 116 116 HIS C C 116 174.600 172.374 2.226 1
1 1196 . 2 1 1 A 116 116 HIS CA C 116 55.500 54.697 0.803 1
1 1197 . 2 1 1 A 116 116 HIS CB C 116 29.100 31.458 -2.358 1
1 1198 . 2 1 1 A 116 116 HIS N N 116 119.100 118.799 0.301 1
1 1199 . 2 1 1 A 117 117 LEU H H 117 8.220 8.562 -0.342 1
1 1200 . 2 1 1 A 117 117 LEU HA H 117 4.240 4.746 -0.506 1
1 1210 . 2 1 1 A 117 117 LEU C C 117 174.600 174.840 -0.240 1
1 1211 . 2 1 1 A 117 117 LEU CA C 117 55.100 54.685 0.415 1
1 1212 . 2 1 1 A 117 117 LEU CB C 117 42.300 44.827 -2.527 1
1 1216 . 2 1 1 A 117 117 LEU N N 117 124.100 121.207 2.893 1
1 1217 . 2 1 1 A 118 118 GLU H H 118 8.350 8.755 -0.405 1
1 1218 . 2 1 1 A 118 118 GLU HA H 118 4.160 4.916 -0.756 1
1 1223 . 2 1 1 A 118 118 GLU C C 118 176.000 174.167 1.833 1
1 1224 . 2 1 1 A 118 118 GLU CA C 118 56.300 55.011 1.289 1
1 1225 . 2 1 1 A 118 118 GLU CB C 118 30.300 32.984 -2.684 1
1 1227 . 2 1 1 A 118 118 GLU N N 118 122.300 122.523 -0.223 1
1 1228 . 2 1 1 A 119 119 HIS H H 119 8.410 8.322 0.088 1
1 1229 . 2 1 1 A 119 119 HIS HA H 119 4.570 4.789 -0.219 1
1 1232 . 2 1 1 A 119 119 HIS C C 119 174.500 175.681 -1.181 1
1 1233 . 2 1 1 A 119 119 HIS CA C 119 55.400 55.021 0.379 1
1 1234 . 2 1 1 A 119 119 HIS CB C 119 29.400 31.366 -1.966 1
1 1235 . 2 1 1 A 119 119 HIS N N 119 120.500 119.266 1.234 1
1 1236 . 2 1 1 A 120 120 HIS H H 120 8.530 8.876 -0.346 1
1 1237 . 2 1 1 A 120 120 HIS HA H 120 4.640 4.493 0.147 1
1 1240 . 2 1 1 A 120 120 HIS C C 120 174.400 175.428 -1.028 1
1 1241 . 2 1 1 A 120 120 HIS CA C 120 57.900 57.666 0.234 1
1 1242 . 2 1 1 A 120 120 HIS CB C 120 29.400 30.994 -1.594 1
1 1 . 3 1 1 A 3 3 PHE HA H 3 4.650 5.288 -0.638 1
1 4 . 3 1 1 A 3 3 PHE C C 3 174.500 172.874 1.626 1
1 5 . 3 1 1 A 3 3 PHE CA C 3 57.800 56.561 1.239 1
1 6 . 3 1 1 A 3 3 PHE CB C 3 39.600 40.974 -1.374 1
1 7 . 3 1 1 A 4 4 CYS H H 4 8.270 8.775 -0.505 1
1 8 . 3 1 1 A 4 4 CYS HA H 4 4.380 5.107 -0.727 1
1 11 . 3 1 1 A 4 4 CYS C C 4 173.800 172.700 1.100 1
1 12 . 3 1 1 A 4 4 CYS CA C 4 58.100 59.024 -0.924 1
1 13 . 3 1 1 A 4 4 CYS CB C 4 28.100 29.620 -1.520 1
1 14 . 3 1 1 A 4 4 CYS N N 4 122.600 118.183 4.417 1
1 15 . 3 1 1 A 5 5 SER H H 5 8.250 8.932 -0.682 1
1 16 . 3 1 1 A 5 5 SER HA H 5 4.270 5.099 -0.829 1
1 19 . 3 1 1 A 5 5 SER C C 5 173.700 172.880 0.820 1
1 20 . 3 1 1 A 5 5 SER CA C 5 58.300 57.975 0.325 1
1 21 . 3 1 1 A 5 5 SER CB C 5 63.700 65.706 -2.006 1
1 22 . 3 1 1 A 5 5 SER N N 5 119.600 120.016 -0.416 1
1 23 . 3 1 1 A 6 6 PHE H H 6 8.010 8.465 -0.455 1
1 24 . 3 1 1 A 6 6 PHE HA H 6 4.560 5.221 -0.661 1
1 28 . 3 1 1 A 6 6 PHE C C 6 173.700 172.965 0.735 1
1 29 . 3 1 1 A 6 6 PHE CA C 6 57.600 55.471 2.129 1
1 30 . 3 1 1 A 6 6 PHE CB C 6 39.700 42.817 -3.117 1
1 31 . 3 1 1 A 6 6 PHE N N 6 122.500 119.503 2.997 1
1 32 . 3 1 1 A 7 7 PHE H H 7 8.230 8.669 -0.439 1
1 33 . 3 1 1 A 7 7 PHE HA H 7 4.530 5.348 -0.818 1
1 36 . 3 1 1 A 7 7 PHE C C 7 175.800 174.048 1.752 1
1 37 . 3 1 1 A 7 7 PHE CA C 7 57.600 56.176 1.424 1
1 38 . 3 1 1 A 7 7 PHE CB C 7 39.700 40.918 -1.218 1
1 39 . 3 1 1 A 7 7 PHE N N 7 123.000 115.417 7.583 1
1 40 . 3 1 1 A 8 8 GLY H H 8 7.870 8.719 -0.849 1
1 41 . 3 1 1 A 8 8 GLY HA2 H 8 3.800 4.326 -0.526 1
1 42 . 3 1 1 A 8 8 GLY HA3 H 8 3.750 4.369 -0.619 1
1 43 . 3 1 1 A 8 8 GLY C C 8 174.300 174.072 0.228 1
1 44 . 3 1 1 A 8 8 GLY CA C 8 45.300 45.875 -0.575 1
1 45 . 3 1 1 A 8 8 GLY N N 8 111.200 107.482 3.718 1
1 46 . 3 1 1 A 9 9 GLY H H 9 7.930 8.244 -0.314 1
1 47 . 3 1 1 A 9 9 GLY HA2 H 9 3.920 4.158 -0.238 1
1 48 . 3 1 1 A 9 9 GLY HA3 H 9 3.850 4.164 -0.314 1
1 49 . 3 1 1 A 9 9 GLY C C 9 175.200 172.325 2.875 1
1 50 . 3 1 1 A 9 9 GLY CA C 9 45.100 45.731 -0.631 1
1 51 . 3 1 1 A 9 9 GLY N N 9 108.400 107.753 0.647 1
1 52 . 3 1 1 A 10 10 GLU H H 10 8.400 9.010 -0.610 1
1 53 . 3 1 1 A 10 10 GLU HA H 10 4.360 4.981 -0.621 1
1 58 . 3 1 1 A 10 10 GLU C C 10 178.400 176.001 2.399 1
1 59 . 3 1 1 A 10 10 GLU CA C 10 54.700 54.723 -0.023 1
1 60 . 3 1 1 A 10 10 GLU CB C 10 36.700 33.409 3.291 1
1 62 . 3 1 1 A 10 10 GLU N N 10 122.600 124.018 -1.418 1
1 63 . 3 1 1 A 11 11 VAL H H 11 7.940 8.882 -0.942 1
1 64 . 3 1 1 A 11 11 VAL HA H 11 3.680 4.798 -1.118 1
1 72 . 3 1 1 A 11 11 VAL C C 11 176.600 175.765 0.835 1
1 73 . 3 1 1 A 11 11 VAL CA C 11 63.800 61.564 2.236 1
1 74 . 3 1 1 A 11 11 VAL CB C 11 31.200 32.860 -1.660 1
1 77 . 3 1 1 A 11 11 VAL N N 11 120.300 122.731 -2.431 1
1 78 . 3 1 1 A 12 12 PHE H H 12 7.730 7.856 -0.126 1
1 79 . 3 1 1 A 12 12 PHE HA H 12 5.200 4.491 0.709 1
1 83 . 3 1 1 A 12 12 PHE C C 12 177.100 175.867 1.233 1
1 84 . 3 1 1 A 12 12 PHE CA C 12 55.700 58.166 -2.466 1
1 85 . 3 1 1 A 12 12 PHE CB C 12 38.200 38.628 -0.428 1
1 86 . 3 1 1 A 12 12 PHE N N 12 113.700 122.053 -8.353 1
1 87 . 3 1 1 A 13 13 GLN H H 13 8.080 7.792 0.288 1
1 88 . 3 1 1 A 13 13 GLN HA H 13 3.270 4.500 -1.230 1
1 95 . 3 1 1 A 13 13 GLN C C 13 175.400 177.231 -1.831 1
1 96 . 3 1 1 A 13 13 GLN CA C 13 62.100 56.393 5.707 1
1 97 . 3 1 1 A 13 13 GLN CB C 13 27.100 30.272 -3.172 1
1 99 . 3 1 1 A 13 13 GLN N N 13 126.400 118.469 7.931 1
1 100 . 3 1 1 A 14 14 ASN H H 14 8.580 7.766 0.814 1
1 101 . 3 1 1 A 14 14 ASN HA H 14 5.010 4.906 0.104 1
1 106 . 3 1 1 A 14 14 ASN C C 14 173.000 175.050 -2.050 1
1 107 . 3 1 1 A 14 14 ASN CA C 14 51.500 53.372 -1.872 1
1 108 . 3 1 1 A 14 14 ASN CB C 14 37.900 38.832 -0.932 1
1 109 . 3 1 1 A 14 14 ASN N N 14 115.900 116.331 -0.431 1
1 111 . 3 1 1 A 15 15 HIS H H 15 6.070 7.790 -1.720 1
1 112 . 3 1 1 A 15 15 HIS HA H 15 4.370 4.345 0.025 1
1 117 . 3 1 1 A 15 15 HIS C C 15 174.400 174.886 -0.486 1
1 118 . 3 1 1 A 15 15 HIS CA C 15 56.600 56.011 0.589 1
1 119 . 3 1 1 A 15 15 HIS CB C 15 33.400 29.917 3.483 1
1 120 . 3 1 1 A 15 15 HIS N N 15 120.500 117.296 3.204 1
1 121 . 3 1 1 A 16 16 PHE H H 16 8.880 8.871 0.009 1
1 122 . 3 1 1 A 16 16 PHE HA H 16 4.870 4.600 0.270 1
1 125 . 3 1 1 A 16 16 PHE C C 16 174.300 175.444 -1.144 1
1 126 . 3 1 1 A 16 16 PHE CA C 16 57.100 56.791 0.309 1
1 127 . 3 1 1 A 16 16 PHE CB C 16 39.700 39.375 0.325 1
1 128 . 3 1 1 A 16 16 PHE N N 16 127.200 125.442 1.758 1
1 129 . 3 1 1 A 17 17 GLU H H 17 5.780 7.359 -1.579 1
1 130 . 3 1 1 A 17 17 GLU HA H 17 4.500 4.521 -0.021 1
1 135 . 3 1 1 A 17 17 GLU C C 17 174.300 174.231 0.069 1
1 136 . 3 1 1 A 17 17 GLU CA C 17 53.500 54.335 -0.835 1
1 137 . 3 1 1 A 17 17 GLU CB C 17 30.700 28.853 1.847 1
1 139 . 3 1 1 A 17 17 GLU N N 17 119.900 120.290 -0.390 1
1 140 . 3 1 1 A 18 18 PRO HA H 18 4.630 4.424 0.206 1
1 147 . 3 1 1 A 18 18 PRO C C 18 178.100 175.695 2.405 1
1 148 . 3 1 1 A 18 18 PRO CA C 18 62.700 62.812 -0.112 1
1 149 . 3 1 1 A 18 18 PRO CB C 18 31.400 33.010 -1.610 1
1 152 . 3 1 1 A 19 19 GLY H H 19 8.820 8.156 0.664 1
1 153 . 3 1 1 A 19 19 GLY HA2 H 19 4.500 3.708 0.792 1
1 154 . 3 1 1 A 19 19 GLY HA3 H 19 3.630 3.956 -0.326 1
1 155 . 3 1 1 A 19 19 GLY C C 19 171.000 171.508 -0.508 1
1 156 . 3 1 1 A 19 19 GLY CA C 19 46.200 44.605 1.595 1
1 157 . 3 1 1 A 19 19 GLY N N 19 111.300 106.743 4.557 1
1 158 . 3 1 1 A 20 20 VAL H H 20 8.070 7.926 0.144 1
1 159 . 3 1 1 A 20 20 VAL HA H 20 4.750 4.970 -0.220 1
1 167 . 3 1 1 A 20 20 VAL C C 20 172.300 173.820 -1.520 1
1 168 . 3 1 1 A 20 20 VAL CA C 20 60.200 60.100 0.100 1
1 169 . 3 1 1 A 20 20 VAL CB C 20 36.100 35.764 0.336 1
1 172 . 3 1 1 A 20 20 VAL N N 20 120.700 118.943 1.757 1
1 173 . 3 1 1 A 21 21 TYR H H 21 9.560 8.643 0.917 1
1 174 . 3 1 1 A 21 21 TYR HA H 21 5.230 5.472 -0.242 1
1 177 . 3 1 1 A 21 21 TYR C C 21 175.600 175.295 0.305 1
1 178 . 3 1 1 A 21 21 TYR CA C 21 56.800 56.133 0.667 1
1 179 . 3 1 1 A 21 21 TYR CB C 21 39.200 41.315 -2.115 1
1 180 . 3 1 1 A 21 21 TYR N N 21 123.200 121.908 1.292 1
1 181 . 3 1 1 A 22 22 VAL H H 22 9.400 8.939 0.461 1
1 182 . 3 1 1 A 22 22 VAL HA H 22 4.950 5.306 -0.356 1
1 190 . 3 1 1 A 22 22 VAL C C 22 174.000 174.567 -0.567 1
1 191 . 3 1 1 A 22 22 VAL CA C 22 57.100 59.124 -2.024 1
1 192 . 3 1 1 A 22 22 VAL CB C 22 33.900 35.594 -1.694 1
1 195 . 3 1 1 A 22 22 VAL N N 22 119.100 116.835 2.265 1
1 196 . 3 1 1 A 23 23 CYS H H 23 9.020 8.625 0.395 1
1 197 . 3 1 1 A 23 23 CYS HA H 23 4.260 4.657 -0.397 1
1 200 . 3 1 1 A 23 23 CYS C C 23 178.700 175.935 2.765 1
1 201 . 3 1 1 A 23 23 CYS CA C 23 60.600 59.386 1.214 1
1 202 . 3 1 1 A 23 23 CYS CB C 23 31.700 28.453 3.247 1
1 203 . 3 1 1 A 23 23 CYS N N 23 123.800 122.414 1.386 1
1 204 . 3 1 1 A 24 24 ALA H H 24 8.760 8.698 0.062 1
1 205 . 3 1 1 A 24 24 ALA HA H 24 3.840 4.082 -0.242 1
1 209 . 3 1 1 A 24 24 ALA C C 24 177.500 179.097 -1.597 1
1 210 . 3 1 1 A 24 24 ALA CA C 24 55.000 54.986 0.014 1
1 211 . 3 1 1 A 24 24 ALA CB C 24 18.700 18.360 0.340 1
1 212 . 3 1 1 A 24 24 ALA N N 24 131.900 128.933 2.967 1
1 213 . 3 1 1 A 25 25 LYS H H 25 9.200 7.763 1.437 1
1 214 . 3 1 1 A 25 25 LYS HA H 25 4.380 4.464 -0.084 1
1 222 . 3 1 1 A 25 25 LYS C C 25 178.100 178.923 -0.823 1
1 223 . 3 1 1 A 25 25 LYS CA C 25 57.900 58.435 -0.535 1
1 224 . 3 1 1 A 25 25 LYS CB C 25 33.500 33.394 0.106 1
1 228 . 3 1 1 A 25 25 LYS N N 25 120.000 116.660 3.340 1
1 229 . 3 1 1 A 26 26 CYS H H 26 8.730 8.001 0.729 1
1 230 . 3 1 1 A 26 26 CYS HA H 26 5.000 4.320 0.680 1
1 233 . 3 1 1 A 26 26 CYS C C 26 177.000 175.178 1.822 1
1 234 . 3 1 1 A 26 26 CYS CA C 26 59.400 62.182 -2.782 1
1 235 . 3 1 1 A 26 26 CYS CB C 26 32.900 27.753 5.147 1
1 236 . 3 1 1 A 26 26 CYS N N 26 120.900 118.158 2.742 1
1 237 . 3 1 1 A 27 27 SER H H 27 8.170 8.170 0.000 1
1 238 . 3 1 1 A 27 27 SER HA H 27 4.140 4.428 -0.288 1
1 241 . 3 1 1 A 27 27 SER C C 27 174.800 173.873 0.927 1
1 242 . 3 1 1 A 27 27 SER CA C 27 60.900 59.413 1.487 1
1 243 . 3 1 1 A 27 27 SER CB C 27 61.600 61.120 0.480 1
1 244 . 3 1 1 A 27 27 SER N N 27 115.800 115.527 0.273 1
1 245 . 3 1 1 A 28 28 TYR H H 28 9.010 7.924 1.086 1
1 246 . 3 1 1 A 28 28 TYR HA H 28 4.420 4.830 -0.410 1
1 249 . 3 1 1 A 28 28 TYR C C 28 176.600 174.898 1.702 1
1 250 . 3 1 1 A 28 28 TYR CA C 28 59.300 57.270 2.030 1
1 251 . 3 1 1 A 28 28 TYR CB C 28 39.600 39.513 0.087 1
1 252 . 3 1 1 A 28 28 TYR N N 28 127.100 123.091 4.009 1
1 253 . 3 1 1 A 29 29 GLU H H 29 7.730 8.886 -1.156 1
1 254 . 3 1 1 A 29 29 GLU HA H 29 3.670 5.060 -1.390 1
1 259 . 3 1 1 A 29 29 GLU C C 29 174.900 176.584 -1.684 1
1 260 . 3 1 1 A 29 29 GLU CA C 29 58.700 56.843 1.857 1
1 261 . 3 1 1 A 29 29 GLU CB C 29 29.800 30.200 -0.400 1
1 263 . 3 1 1 A 29 29 GLU N N 29 124.500 126.264 -1.764 1
1 264 . 3 1 1 A 30 30 LEU H H 30 7.940 8.892 -0.952 1
1 265 . 3 1 1 A 30 30 LEU HA H 30 4.140 5.120 -0.980 1
1 274 . 3 1 1 A 30 30 LEU C C 30 175.400 175.620 -0.220 1
1 275 . 3 1 1 A 30 30 LEU CA C 30 56.200 53.535 2.665 1
1 276 . 3 1 1 A 30 30 LEU CB C 30 46.700 45.358 1.342 1
1 277 . 3 1 1 A 30 30 LEU N N 30 121.800 121.548 0.252 1
1 278 . 3 1 1 A 31 31 PHE H H 31 7.880 8.751 -0.871 1
1 279 . 3 1 1 A 31 31 PHE HA H 31 4.720 4.704 0.016 1
1 282 . 3 1 1 A 31 31 PHE C C 31 174.600 174.222 0.378 1
1 283 . 3 1 1 A 31 31 PHE CA C 31 56.600 58.034 -1.434 1
1 284 . 3 1 1 A 31 31 PHE CB C 31 45.300 42.079 3.221 1
1 285 . 3 1 1 A 31 31 PHE N N 31 113.300 122.599 -9.299 1
1 286 . 3 1 1 A 32 32 SER H H 32 10.030 8.354 1.676 1
1 287 . 3 1 1 A 32 32 SER HA H 32 4.860 4.735 0.125 1
1 290 . 3 1 1 A 32 32 SER CA C 32 57.000 57.104 -0.104 1
1 291 . 3 1 1 A 32 32 SER CB C 32 63.700 65.166 -1.466 1
1 292 . 3 1 1 A 32 32 SER N N 32 118.700 117.807 0.893 1
1 293 . 3 1 1 A 33 33 SER H H 33 8.990 8.899 0.091 1
1 294 . 3 1 1 A 33 33 SER HA H 33 4.840 4.477 0.363 1
1 297 . 3 1 1 A 33 33 SER C C 33 177.300 175.487 1.813 1
1 298 . 3 1 1 A 33 33 SER CA C 33 63.700 60.656 3.044 1
1 299 . 3 1 1 A 33 33 SER CB C 33 63.700 63.634 0.066 1
1 300 . 3 1 1 A 33 33 SER N N 33 123.100 117.213 5.887 1
1 301 . 3 1 1 A 34 34 HIS HA H 34 4.710 4.571 0.139 1
1 304 . 3 1 1 A 34 34 HIS C C 34 175.800 176.987 -1.187 1
1 305 . 3 1 1 A 34 34 HIS CA C 34 57.900 58.617 -0.717 1
1 306 . 3 1 1 A 34 34 HIS CB C 34 28.600 29.698 -1.098 1
1 307 . 3 1 1 A 35 35 SER H H 35 7.960 7.617 0.343 1
1 308 . 3 1 1 A 35 35 SER HA H 35 4.820 4.027 0.793 1
1 311 . 3 1 1 A 35 35 SER C C 35 173.200 174.059 -0.859 1
1 312 . 3 1 1 A 35 35 SER CA C 35 58.100 60.193 -2.093 1
1 313 . 3 1 1 A 35 35 SER CB C 35 65.300 62.721 2.579 1
1 314 . 3 1 1 A 35 35 SER N N 35 114.500 113.144 1.356 1
1 315 . 3 1 1 A 36 36 LYS H H 36 7.630 7.658 -0.028 1
1 316 . 3 1 1 A 36 36 LYS HA H 36 4.890 4.821 0.069 1
1 322 . 3 1 1 A 36 36 LYS C C 36 176.100 173.980 2.120 1
1 323 . 3 1 1 A 36 36 LYS CA C 36 55.400 54.412 0.988 1
1 324 . 3 1 1 A 36 36 LYS CB C 36 35.400 36.145 -0.745 1
1 328 . 3 1 1 A 36 36 LYS N N 36 126.900 117.870 9.030 1
1 329 . 3 1 1 A 37 37 TYR H H 37 8.440 8.781 -0.341 1
1 330 . 3 1 1 A 37 37 TYR HA H 37 5.100 5.249 -0.149 1
1 333 . 3 1 1 A 37 37 TYR C C 37 172.800 174.554 -1.754 1
1 334 . 3 1 1 A 37 37 TYR CA C 37 55.400 56.657 -1.257 1
1 335 . 3 1 1 A 37 37 TYR CB C 37 41.000 43.527 -2.527 1
1 336 . 3 1 1 A 37 37 TYR N N 37 124.200 118.655 5.545 1
1 337 . 3 1 1 A 38 38 ALA H H 38 8.590 8.812 -0.222 1
1 338 . 3 1 1 A 38 38 ALA HA H 38 4.630 4.863 -0.233 1
1 342 . 3 1 1 A 38 38 ALA C C 38 175.900 176.666 -0.766 1
1 343 . 3 1 1 A 38 38 ALA CA C 38 52.500 51.119 1.381 1
1 344 . 3 1 1 A 38 38 ALA CB C 38 18.300 19.502 -1.202 1
1 345 . 3 1 1 A 38 38 ALA N N 38 125.100 124.649 0.451 1
1 346 . 3 1 1 A 39 39 HIS H H 39 8.080 9.224 -1.144 1
1 347 . 3 1 1 A 39 39 HIS HA H 39 4.620 5.124 -0.504 1
1 352 . 3 1 1 A 39 39 HIS C C 39 174.100 174.558 -0.458 1
1 353 . 3 1 1 A 39 39 HIS CA C 39 57.000 55.878 1.122 1
1 354 . 3 1 1 A 39 39 HIS CB C 39 34.600 32.313 2.287 1
1 355 . 3 1 1 A 39 39 HIS N N 39 125.600 123.327 2.273 1
1 356 . 3 1 1 A 40 40 SER H H 40 6.860 8.726 -1.866 1
1 357 . 3 1 1 A 40 40 SER HA H 40 4.060 4.877 -0.817 1
1 360 . 3 1 1 A 40 40 SER C C 40 174.900 173.166 1.734 1
1 361 . 3 1 1 A 40 40 SER CA C 40 58.800 57.508 1.292 1
1 362 . 3 1 1 A 40 40 SER CB C 40 62.700 63.803 -1.103 1
1 363 . 3 1 1 A 40 40 SER N N 40 118.700 117.218 1.482 1
1 364 . 3 1 1 A 41 41 SER H H 41 9.140 8.859 0.281 1
1 365 . 3 1 1 A 41 41 SER HA H 41 4.480 4.993 -0.513 1
1 368 . 3 1 1 A 41 41 SER C C 41 173.600 171.334 2.266 1
1 369 . 3 1 1 A 41 41 SER CA C 41 57.800 56.637 1.163 1
1 370 . 3 1 1 A 41 41 SER CB C 41 63.600 65.337 -1.737 1
1 371 . 3 1 1 A 41 41 SER N N 41 122.500 120.073 2.427 1
1 372 . 3 1 1 A 42 42 PRO HA H 42 4.040 4.128 -0.088 1
1 379 . 3 1 1 A 42 42 PRO C C 42 174.900 176.720 -1.820 1
1 380 . 3 1 1 A 42 42 PRO CA C 42 63.700 63.277 0.423 1
1 381 . 3 1 1 A 42 42 PRO CB C 42 31.500 31.815 -0.315 1
1 384 . 3 1 1 A 43 43 TRP H H 43 6.590 7.905 -1.315 1
1 385 . 3 1 1 A 43 43 TRP HA H 43 4.850 4.135 0.715 1
1 394 . 3 1 1 A 43 43 TRP C C 43 174.100 174.969 -0.869 1
1 395 . 3 1 1 A 43 43 TRP CA C 43 57.300 57.668 -0.368 1
1 396 . 3 1 1 A 43 43 TRP CB C 43 29.500 27.512 1.988 1
1 397 . 3 1 1 A 43 43 TRP N N 43 113.900 117.477 -3.577 1
1 399 . 3 1 1 A 44 44 PRO HA H 44 3.810 4.653 -0.843 1
1 405 . 3 1 1 A 44 44 PRO C C 44 174.800 175.437 -0.637 1
1 406 . 3 1 1 A 44 44 PRO CA C 44 63.200 62.579 0.621 1
1 407 . 3 1 1 A 44 44 PRO CB C 44 32.200 33.067 -0.867 1
1 410 . 3 1 1 A 45 45 ALA H H 45 7.850 8.311 -0.461 1
1 411 . 3 1 1 A 45 45 ALA HA H 45 5.260 4.606 0.654 1
1 415 . 3 1 1 A 45 45 ALA C C 45 174.800 175.384 -0.584 1
1 416 . 3 1 1 A 45 45 ALA CA C 45 50.100 51.129 -1.029 1
1 417 . 3 1 1 A 45 45 ALA CB C 45 20.800 22.889 -2.089 1
1 418 . 3 1 1 A 45 45 ALA N N 45 126.700 119.769 6.931 1
1 419 . 3 1 1 A 46 46 PHE H H 46 8.080 8.925 -0.845 1
1 420 . 3 1 1 A 46 46 PHE HA H 46 5.860 5.059 0.801 1
1 424 . 3 1 1 A 46 46 PHE C C 46 177.800 175.990 1.810 1
1 425 . 3 1 1 A 46 46 PHE CA C 46 54.800 56.930 -2.130 1
1 426 . 3 1 1 A 46 46 PHE CB C 46 44.500 41.740 2.760 1
1 427 . 3 1 1 A 46 46 PHE N N 46 115.600 117.020 -1.420 1
1 428 . 3 1 1 A 47 47 THR H H 47 9.190 8.397 0.793 1
1 429 . 3 1 1 A 47 47 THR HA H 47 5.220 4.929 0.291 1
1 434 . 3 1 1 A 47 47 THR C C 47 175.000 174.695 0.305 1
1 435 . 3 1 1 A 47 47 THR CA C 47 63.000 62.361 0.639 1
1 436 . 3 1 1 A 47 47 THR CB C 47 70.500 69.764 0.736 1
1 438 . 3 1 1 A 47 47 THR N N 47 109.900 112.781 -2.881 1
1 439 . 3 1 1 A 48 48 GLU H H 48 7.320 7.427 -0.107 1
1 440 . 3 1 1 A 48 48 GLU HA H 48 4.920 4.615 0.305 1
1 445 . 3 1 1 A 48 48 GLU C C 48 175.400 173.957 1.443 1
1 446 . 3 1 1 A 48 48 GLU CA C 48 55.200 54.398 0.802 1
1 447 . 3 1 1 A 48 48 GLU CB C 48 31.900 32.505 -0.605 1
1 449 . 3 1 1 A 48 48 GLU N N 48 115.400 118.668 -3.268 1
1 450 . 3 1 1 A 49 49 THR H H 49 8.150 8.176 -0.026 1
1 451 . 3 1 1 A 49 49 THR HA H 49 4.090 4.576 -0.486 1
1 456 . 3 1 1 A 49 49 THR C C 49 175.800 175.752 0.048 1
1 457 . 3 1 1 A 49 49 THR CA C 49 60.000 59.103 0.897 1
1 458 . 3 1 1 A 49 49 THR CB C 49 70.400 71.431 -1.031 1
1 460 . 3 1 1 A 49 49 THR N N 49 111.400 108.507 2.893 1
1 461 . 3 1 1 A 50 50 ILE H H 50 7.720 7.844 -0.124 1
1 462 . 3 1 1 A 50 50 ILE HA H 50 3.630 4.098 -0.468 1
1 472 . 3 1 1 A 50 50 ILE C C 50 174.500 176.552 -2.052 1
1 473 . 3 1 1 A 50 50 ILE CA C 50 64.100 63.789 0.311 1
1 474 . 3 1 1 A 50 50 ILE CB C 50 38.700 38.003 0.697 1
1 478 . 3 1 1 A 50 50 ILE N N 50 121.700 121.745 -0.045 1
1 479 . 3 1 1 A 51 51 HIS H H 51 7.400 7.835 -0.435 1
1 480 . 3 1 1 A 51 51 HIS HA H 51 5.300 4.974 0.326 1
1 484 . 3 1 1 A 51 51 HIS C C 51 175.500 174.744 0.756 1
1 485 . 3 1 1 A 51 51 HIS CA C 51 51.800 53.954 -2.154 1
1 486 . 3 1 1 A 51 51 HIS CB C 51 29.700 33.552 -3.852 1
1 487 . 3 1 1 A 51 51 HIS N N 51 115.500 118.117 -2.617 1
1 488 . 3 1 1 A 52 52 PRO HA H 52 4.350 4.203 0.147 1
1 495 . 3 1 1 A 52 52 PRO C C 52 176.900 178.087 -1.187 1
1 496 . 3 1 1 A 52 52 PRO CA C 52 64.800 65.440 -0.640 1
1 497 . 3 1 1 A 52 52 PRO CB C 52 31.300 31.725 -0.425 1
1 500 . 3 1 1 A 53 53 ASP H H 53 8.070 8.858 -0.788 1
1 501 . 3 1 1 A 53 53 ASP HA H 53 4.760 4.435 0.325 1
1 504 . 3 1 1 A 53 53 ASP C C 53 176.900 177.565 -0.665 1
1 505 . 3 1 1 A 53 53 ASP CA C 53 52.100 55.644 -3.544 1
1 506 . 3 1 1 A 53 53 ASP CB C 53 39.700 39.237 0.463 1
1 507 . 3 1 1 A 53 53 ASP N N 53 114.300 117.386 -3.086 1
1 508 . 3 1 1 A 54 54 SER H H 54 7.720 8.008 -0.288 1
1 509 . 3 1 1 A 54 54 SER HA H 54 4.040 4.371 -0.331 1
1 512 . 3 1 1 A 54 54 SER C C 54 173.200 174.336 -1.136 1
1 513 . 3 1 1 A 54 54 SER CA C 54 64.100 60.525 3.575 1
1 514 . 3 1 1 A 54 54 SER CB C 54 64.200 63.394 0.806 1
1 515 . 3 1 1 A 54 54 SER N N 54 116.300 114.753 1.547 1
1 516 . 3 1 1 A 55 55 VAL H H 55 7.360 7.208 0.152 1
1 517 . 3 1 1 A 55 55 VAL HA H 55 5.280 4.544 0.736 1
1 525 . 3 1 1 A 55 55 VAL C C 55 175.700 173.504 2.196 1
1 526 . 3 1 1 A 55 55 VAL CA C 55 57.300 59.582 -2.282 1
1 527 . 3 1 1 A 55 55 VAL CB C 55 34.800 34.636 0.164 1
1 530 . 3 1 1 A 55 55 VAL N N 55 105.200 115.021 -9.821 1
1 531 . 3 1 1 A 56 56 THR H H 56 8.780 8.782 -0.002 1
1 532 . 3 1 1 A 56 56 THR HA H 56 4.530 5.167 -0.637 1
1 537 . 3 1 1 A 56 56 THR C C 56 173.800 173.330 0.470 1
1 538 . 3 1 1 A 56 56 THR CA C 56 60.500 59.657 0.843 1
1 539 . 3 1 1 A 56 56 THR CB C 56 70.400 71.469 -1.069 1
1 541 . 3 1 1 A 56 56 THR N N 56 116.000 117.363 -1.363 1
1 542 . 3 1 1 A 57 57 LYS H H 57 8.610 8.921 -0.311 1
1 543 . 3 1 1 A 57 57 LYS HA H 57 5.490 5.309 0.181 1
1 550 . 3 1 1 A 57 57 LYS C C 57 176.000 174.730 1.270 1
1 551 . 3 1 1 A 57 57 LYS CA C 57 54.600 54.050 0.550 1
1 552 . 3 1 1 A 57 57 LYS CB C 57 36.000 36.690 -0.690 1
1 556 . 3 1 1 A 57 57 LYS N N 57 121.900 124.777 -2.877 1
1 557 . 3 1 1 A 58 58 CYS H H 58 8.610 9.049 -0.439 1
1 558 . 3 1 1 A 58 58 CYS HA H 58 5.100 5.023 0.077 1
1 561 . 3 1 1 A 58 58 CYS CA C 58 55.200 56.482 -1.282 1
1 562 . 3 1 1 A 58 58 CYS CB C 58 29.700 30.701 -1.001 1
1 563 . 3 1 1 A 58 58 CYS N N 58 120.600 117.499 3.101 1
1 564 . 3 1 1 A 59 59 PRO HA H 59 4.590 4.507 0.083 1
1 571 . 3 1 1 A 59 59 PRO C C 59 176.600 176.864 -0.264 1
1 572 . 3 1 1 A 59 59 PRO CA C 59 63.700 62.331 1.369 1
1 573 . 3 1 1 A 59 59 PRO CB C 59 32.100 31.960 0.140 1
1 576 . 3 1 1 A 60 60 GLU H H 60 8.630 8.254 0.376 1
1 577 . 3 1 1 A 60 60 GLU HA H 60 4.450 4.510 -0.060 1
1 582 . 3 1 1 A 60 60 GLU C C 60 176.900 177.225 -0.325 1
1 583 . 3 1 1 A 60 60 GLU CA C 60 55.700 56.307 -0.607 1
1 584 . 3 1 1 A 60 60 GLU CB C 60 30.500 30.357 0.143 1
1 586 . 3 1 1 A 60 60 GLU N N 60 123.900 121.336 2.564 1
1 587 . 3 1 1 A 61 61 LYS H H 61 8.780 8.488 0.292 1
1 588 . 3 1 1 A 61 61 LYS HA H 61 3.930 4.475 -0.545 1
1 596 . 3 1 1 A 61 61 LYS C C 61 177.100 177.964 -0.864 1
1 597 . 3 1 1 A 61 61 LYS CA C 61 58.300 57.463 0.837 1
1 598 . 3 1 1 A 61 61 LYS CB C 61 31.900 33.778 -1.878 1
1 602 . 3 1 1 A 61 61 LYS N N 61 127.000 120.262 6.738 1
1 603 . 3 1 1 A 62 62 ASN H H 62 8.870 8.435 0.435 1
1 604 . 3 1 1 A 62 62 ASN HA H 62 4.520 4.616 -0.096 1
1 609 . 3 1 1 A 62 62 ASN C C 62 174.400 175.466 -1.066 1
1 610 . 3 1 1 A 62 62 ASN CA C 62 54.000 53.813 0.187 1
1 611 . 3 1 1 A 62 62 ASN CB C 62 38.000 37.540 0.460 1
1 612 . 3 1 1 A 62 62 ASN N N 62 117.000 116.954 0.046 1
1 613 . 3 1 1 A 63 63 ARG H H 63 7.430 7.701 -0.271 1
1 614 . 3 1 1 A 63 63 ARG HA H 63 4.810 4.788 0.022 1
1 622 . 3 1 1 A 63 63 ARG C C 63 172.300 174.335 -2.035 1
1 623 . 3 1 1 A 63 63 ARG CA C 63 53.800 53.712 0.088 1
1 624 . 3 1 1 A 63 63 ARG CB C 63 31.300 30.892 0.408 1
1 627 . 3 1 1 A 63 63 ARG N N 63 119.200 119.763 -0.563 1
1 629 . 3 1 1 A 64 64 PRO HA H 64 4.350 4.516 -0.166 1
1 636 . 3 1 1 A 64 64 PRO C C 64 176.900 175.950 0.950 1
1 637 . 3 1 1 A 64 64 PRO CA C 64 64.200 62.918 1.282 1
1 638 . 3 1 1 A 64 64 PRO CB C 64 31.800 29.853 1.947 1
1 641 . 3 1 1 A 65 65 GLU H H 65 9.210 8.637 0.573 1
1 642 . 3 1 1 A 65 65 GLU HA H 65 4.280 4.409 -0.129 1
1 647 . 3 1 1 A 65 65 GLU C C 65 174.300 175.035 -0.735 1
1 648 . 3 1 1 A 65 65 GLU CA C 65 56.600 55.898 0.702 1
1 649 . 3 1 1 A 65 65 GLU CB C 65 28.200 31.355 -3.155 1
1 651 . 3 1 1 A 65 65 GLU N N 65 117.000 119.811 -2.811 1
1 652 . 3 1 1 A 66 66 ALA H H 66 8.040 7.116 0.924 1
1 653 . 3 1 1 A 66 66 ALA HA H 66 5.230 4.250 0.980 1
1 657 . 3 1 1 A 66 66 ALA C C 66 174.900 174.982 -0.082 1
1 658 . 3 1 1 A 66 66 ALA CA C 66 50.300 51.326 -1.026 1
1 659 . 3 1 1 A 66 66 ALA CB C 66 22.200 22.408 -0.208 1
1 660 . 3 1 1 A 66 66 ALA N N 66 124.800 119.991 4.809 1
1 661 . 3 1 1 A 67 67 LEU H H 67 8.710 8.221 0.489 1
1 662 . 3 1 1 A 67 67 LEU HA H 67 4.800 4.971 -0.171 1
1 672 . 3 1 1 A 67 67 LEU C C 67 177.200 175.923 1.277 1
1 673 . 3 1 1 A 67 67 LEU CA C 67 52.800 53.574 -0.774 1
1 674 . 3 1 1 A 67 67 LEU CB C 67 43.200 45.344 -2.144 1
1 678 . 3 1 1 A 67 67 LEU N N 67 120.400 118.621 1.779 1
1 679 . 3 1 1 A 68 68 LYS H H 68 9.180 8.969 0.211 1
1 680 . 3 1 1 A 68 68 LYS HA H 68 4.050 4.301 -0.251 1
1 689 . 3 1 1 A 68 68 LYS C C 68 176.900 175.018 1.882 1
1 690 . 3 1 1 A 68 68 LYS CA C 68 57.100 54.286 2.814 1
1 691 . 3 1 1 A 68 68 LYS CB C 68 32.600 34.925 -2.325 1
1 695 . 3 1 1 A 68 68 LYS N N 68 125.300 119.459 5.841 1
1 696 . 3 1 1 A 69 69 VAL H H 69 8.150 8.781 -0.631 1
1 697 . 3 1 1 A 69 69 VAL HA H 69 5.240 4.775 0.465 1
1 705 . 3 1 1 A 69 69 VAL C C 69 174.900 174.774 0.126 1
1 706 . 3 1 1 A 69 69 VAL CA C 69 59.900 61.123 -1.223 1
1 707 . 3 1 1 A 69 69 VAL CB C 69 34.700 33.609 1.091 1
1 710 . 3 1 1 A 69 69 VAL N N 69 121.600 124.706 -3.106 1
1 711 . 3 1 1 A 70 70 SER H H 70 8.610 8.930 -0.320 1
1 712 . 3 1 1 A 70 70 SER HA H 70 5.210 5.043 0.167 1
1 715 . 3 1 1 A 70 70 SER C C 70 171.900 172.501 -0.601 1
1 716 . 3 1 1 A 70 70 SER CA C 70 56.600 56.917 -0.317 1
1 717 . 3 1 1 A 70 70 SER CB C 70 65.600 66.305 -0.705 1
1 718 . 3 1 1 A 70 70 SER N N 70 120.600 118.699 1.901 1
1 719 . 3 1 1 A 71 71 CYS H H 71 9.280 8.498 0.782 1
1 720 . 3 1 1 A 71 71 CYS HA H 71 4.130 4.553 -0.423 1
1 723 . 3 1 1 A 71 71 CYS C C 71 178.600 175.247 3.353 1
1 724 . 3 1 1 A 71 71 CYS CA C 71 61.600 58.009 3.591 1
1 725 . 3 1 1 A 71 71 CYS CB C 71 31.300 26.944 4.356 1
1 726 . 3 1 1 A 71 71 CYS N N 71 126.700 122.085 4.615 1
1 727 . 3 1 1 A 72 72 GLY H H 72 9.140 8.282 0.858 1
1 728 . 3 1 1 A 72 72 GLY HA2 H 72 3.760 3.877 -0.117 1
1 729 . 3 1 1 A 72 72 GLY HA3 H 72 3.670 3.881 -0.211 1
1 730 . 3 1 1 A 72 72 GLY C C 72 172.500 175.951 -3.451 1
1 731 . 3 1 1 A 72 72 GLY CA C 72 46.200 47.221 -1.021 1
1 732 . 3 1 1 A 72 72 GLY N N 72 120.100 113.871 6.229 1
1 733 . 3 1 1 A 73 73 LYS H H 73 9.090 8.021 1.069 1
1 734 . 3 1 1 A 73 73 LYS HA H 73 4.210 4.049 0.161 1
1 742 . 3 1 1 A 73 73 LYS C C 73 177.600 178.226 -0.626 1
1 743 . 3 1 1 A 73 73 LYS CA C 73 56.600 59.133 -2.533 1
1 744 . 3 1 1 A 73 73 LYS CB C 73 32.700 32.109 0.591 1
1 748 . 3 1 1 A 73 73 LYS N N 73 124.400 120.972 3.428 1
1 749 . 3 1 1 A 74 74 CYS H H 74 8.590 7.658 0.932 1
1 750 . 3 1 1 A 74 74 CYS HA H 74 4.910 4.629 0.281 1
1 753 . 3 1 1 A 74 74 CYS C C 74 177.400 175.541 1.859 1
1 754 . 3 1 1 A 74 74 CYS CA C 74 58.900 58.879 0.021 1
1 755 . 3 1 1 A 74 74 CYS CB C 74 33.300 29.758 3.542 1
1 756 . 3 1 1 A 74 74 CYS N N 74 119.700 114.558 5.142 1
1 757 . 3 1 1 A 75 75 GLY H H 75 7.760 8.682 -0.922 1
1 758 . 3 1 1 A 75 75 GLY HA2 H 75 4.210 3.968 0.242 1
1 759 . 3 1 1 A 75 75 GLY HA3 H 75 3.750 3.969 -0.219 1
1 760 . 3 1 1 A 75 75 GLY C C 75 174.000 174.123 -0.123 1
1 761 . 3 1 1 A 75 75 GLY CA C 75 46.100 46.459 -0.359 1
1 762 . 3 1 1 A 75 75 GLY N N 75 113.000 111.067 1.933 1
1 763 . 3 1 1 A 76 76 ASN H H 76 9.050 7.885 1.165 1
1 764 . 3 1 1 A 76 76 ASN HA H 76 4.500 5.080 -0.580 1
1 769 . 3 1 1 A 76 76 ASN C C 76 178.700 174.273 4.427 1
1 770 . 3 1 1 A 76 76 ASN CA C 76 54.700 51.554 3.146 1
1 771 . 3 1 1 A 76 76 ASN CB C 76 39.800 40.645 -0.845 1
1 772 . 3 1 1 A 76 76 ASN N N 76 123.700 118.994 4.706 1
1 774 . 3 1 1 A 77 77 GLY H H 77 8.660 8.540 0.120 1
1 775 . 3 1 1 A 77 77 GLY HA2 H 77 3.970 4.256 -0.286 1
1 776 . 3 1 1 A 77 77 GLY HA3 H 77 3.710 4.269 -0.559 1
1 777 . 3 1 1 A 77 77 GLY C C 77 173.800 174.484 -0.684 1
1 778 . 3 1 1 A 77 77 GLY CA C 77 47.300 45.674 1.626 1
1 779 . 3 1 1 A 77 77 GLY N N 77 115.600 108.245 7.355 1
1 780 . 3 1 1 A 78 78 LEU H H 78 8.600 8.588 0.012 1
1 781 . 3 1 1 A 78 78 LEU HA H 78 4.810 4.980 -0.170 1
1 791 . 3 1 1 A 78 78 LEU C C 78 173.800 176.990 -3.190 1
1 792 . 3 1 1 A 78 78 LEU CA C 78 54.900 54.362 0.538 1
1 793 . 3 1 1 A 78 78 LEU CB C 78 45.000 44.178 0.822 1
1 797 . 3 1 1 A 78 78 LEU N N 78 122.700 119.585 3.115 1
1 798 . 3 1 1 A 79 79 GLY H H 79 7.100 7.674 -0.574 1
1 799 . 3 1 1 A 79 79 GLY HA2 H 79 4.650 4.266 0.384 1
1 800 . 3 1 1 A 79 79 GLY HA3 H 79 3.020 4.349 -1.329 1
1 801 . 3 1 1 A 79 79 GLY C C 79 173.000 173.090 -0.090 1
1 802 . 3 1 1 A 79 79 GLY CA C 79 44.900 44.179 0.721 1
1 803 . 3 1 1 A 79 79 GLY N N 79 102.400 108.030 -5.630 1
1 804 . 3 1 1 A 80 80 HIS H H 80 8.580 8.638 -0.058 1
1 805 . 3 1 1 A 80 80 HIS HA H 80 5.470 5.187 0.283 1
1 810 . 3 1 1 A 80 80 HIS C C 80 172.300 173.588 -1.288 1
1 811 . 3 1 1 A 80 80 HIS CA C 80 55.000 54.269 0.731 1
1 812 . 3 1 1 A 80 80 HIS CB C 80 34.500 34.678 -0.178 1
1 813 . 3 1 1 A 80 80 HIS N N 80 122.400 118.282 4.118 1
1 814 . 3 1 1 A 81 81 GLU H H 81 9.260 9.041 0.219 1
1 815 . 3 1 1 A 81 81 GLU HA H 81 4.100 4.818 -0.718 1
1 820 . 3 1 1 A 81 81 GLU C C 81 174.300 174.667 -0.367 1
1 821 . 3 1 1 A 81 81 GLU CA C 81 54.700 55.334 -0.634 1
1 822 . 3 1 1 A 81 81 GLU CB C 81 31.600 32.273 -0.673 1
1 824 . 3 1 1 A 81 81 GLU N N 81 123.700 120.481 3.219 1
1 825 . 3 1 1 A 82 82 PHE H H 82 9.150 9.187 -0.037 1
1 826 . 3 1 1 A 82 82 PHE HA H 82 5.080 4.705 0.375 1
1 830 . 3 1 1 A 82 82 PHE C C 82 174.300 174.460 -0.160 1
1 831 . 3 1 1 A 82 82 PHE CA C 82 56.700 56.284 0.416 1
1 832 . 3 1 1 A 82 82 PHE CB C 82 38.800 38.450 0.350 1
1 833 . 3 1 1 A 82 82 PHE N N 82 126.900 129.144 -2.244 1
1 834 . 3 1 1 A 83 83 LEU H H 83 8.280 8.307 -0.027 1
1 835 . 3 1 1 A 83 83 LEU HA H 83 4.100 4.680 -0.580 1
1 845 . 3 1 1 A 83 83 LEU C C 83 176.200 177.203 -1.003 1
1 846 . 3 1 1 A 83 83 LEU CA C 83 55.500 53.571 1.929 1
1 847 . 3 1 1 A 83 83 LEU CB C 83 42.000 43.713 -1.713 1
1 849 . 3 1 1 A 83 83 LEU N N 83 126.900 126.162 0.738 1
1 850 . 3 1 1 A 84 84 ASN H H 84 9.260 9.009 0.251 1
1 851 . 3 1 1 A 84 84 ASN HA H 84 4.290 4.432 -0.142 1
1 856 . 3 1 1 A 84 84 ASN C C 84 174.400 174.939 -0.539 1
1 857 . 3 1 1 A 84 84 ASN CA C 84 54.800 54.389 0.411 1
1 858 . 3 1 1 A 84 84 ASN CB C 84 37.900 38.425 -0.525 1
1 859 . 3 1 1 A 84 84 ASN N N 84 116.900 119.851 -2.951 1
1 861 . 3 1 1 A 85 85 ASP H H 85 7.140 8.001 -0.861 1
1 862 . 3 1 1 A 85 85 ASP HA H 85 5.200 4.939 0.261 1
1 865 . 3 1 1 A 85 85 ASP C C 85 176.000 176.216 -0.216 1
1 866 . 3 1 1 A 85 85 ASP CA C 85 53.800 54.945 -1.145 1
1 867 . 3 1 1 A 85 85 ASP CB C 85 45.500 43.144 2.356 1
1 868 . 3 1 1 A 85 85 ASP N N 85 117.200 118.833 -1.633 1
1 869 . 3 1 1 A 86 86 GLY H H 86 8.230 7.967 0.263 1
1 870 . 3 1 1 A 86 86 GLY HA2 H 86 4.140 4.482 -0.342 1
1 871 . 3 1 1 A 86 86 GLY HA3 H 86 3.280 4.489 -1.209 1
1 872 . 3 1 1 A 86 86 GLY C C 86 171.700 173.482 -1.782 1
1 873 . 3 1 1 A 86 86 GLY CA C 86 44.600 46.078 -1.478 1
1 874 . 3 1 1 A 86 86 GLY N N 86 107.600 106.462 1.138 1
1 875 . 3 1 1 A 87 87 PRO HA H 87 4.190 4.343 -0.153 1
1 882 . 3 1 1 A 87 87 PRO C C 87 177.000 178.379 -1.379 1
1 883 . 3 1 1 A 87 87 PRO CA C 87 65.200 64.643 0.557 1
1 884 . 3 1 1 A 87 87 PRO CB C 87 31.700 32.187 -0.487 1
1 887 . 3 1 1 A 88 88 LYS H H 88 7.310 8.190 -0.880 1
1 888 . 3 1 1 A 88 88 LYS HA H 88 4.480 4.288 0.192 1
1 897 . 3 1 1 A 88 88 LYS C C 88 175.700 177.505 -1.805 1
1 898 . 3 1 1 A 88 88 LYS CA C 88 53.700 58.873 -5.173 1
1 899 . 3 1 1 A 88 88 LYS CB C 88 34.900 32.560 2.340 1
1 903 . 3 1 1 A 88 88 LYS N N 88 116.200 116.990 -0.790 1
1 904 . 3 1 1 A 89 89 ARG H H 89 8.320 7.675 0.645 1
1 905 . 3 1 1 A 89 89 ARG HA H 89 4.010 4.396 -0.386 1
1 912 . 3 1 1 A 89 89 ARG C C 89 177.500 177.778 -0.278 1
1 913 . 3 1 1 A 89 89 ARG CA C 89 57.900 56.774 1.126 1
1 914 . 3 1 1 A 89 89 ARG CB C 89 32.100 31.074 1.026 1
1 917 . 3 1 1 A 89 89 ARG N N 89 122.200 119.406 2.794 1
1 919 . 3 1 1 A 90 90 GLY H H 90 8.950 8.664 0.286 1
1 920 . 3 1 1 A 90 90 GLY HA2 H 90 4.240 3.948 0.292 1
1 921 . 3 1 1 A 90 90 GLY HA3 H 90 3.850 3.950 -0.100 1
1 922 . 3 1 1 A 90 90 GLY C C 90 175.000 174.226 0.774 1
1 923 . 3 1 1 A 90 90 GLY CA C 90 45.100 45.319 -0.219 1
1 924 . 3 1 1 A 90 90 GLY N N 90 115.100 111.687 3.413 1
1 925 . 3 1 1 A 91 91 GLN H H 91 8.120 7.677 0.443 1
1 926 . 3 1 1 A 91 91 GLN HA H 91 4.580 4.329 0.251 1
1 933 . 3 1 1 A 91 91 GLN C C 91 177.000 175.369 1.631 1
1 934 . 3 1 1 A 91 91 GLN CA C 91 55.900 56.845 -0.945 1
1 935 . 3 1 1 A 91 91 GLN CB C 91 31.000 29.610 1.390 1
1 937 . 3 1 1 A 91 91 GLN N N 91 120.900 120.674 0.226 1
1 938 . 3 1 1 A 92 92 SER H H 92 9.210 8.875 0.335 1
1 939 . 3 1 1 A 92 92 SER HA H 92 4.820 5.203 -0.383 1
1 942 . 3 1 1 A 92 92 SER C C 92 171.600 172.759 -1.159 1
1 943 . 3 1 1 A 92 92 SER CA C 92 57.700 57.907 -0.207 1
1 944 . 3 1 1 A 92 92 SER CB C 92 65.200 65.920 -0.720 1
1 945 . 3 1 1 A 92 92 SER N N 92 120.900 114.467 6.433 1
1 946 . 3 1 1 A 93 93 ARG H H 93 7.820 8.930 -1.110 1
1 947 . 3 1 1 A 93 93 ARG HA H 93 4.950 4.948 0.002 1
1 952 . 3 1 1 A 93 93 ARG C C 93 176.400 174.589 1.811 1
1 953 . 3 1 1 A 93 93 ARG CA C 93 55.200 55.148 0.052 1
1 954 . 3 1 1 A 93 93 ARG CB C 93 34.600 31.107 3.493 1
1 957 . 3 1 1 A 93 93 ARG N N 93 117.800 126.667 -8.867 1
1 958 . 3 1 1 A 94 94 PHE H H 94 9.860 9.120 0.740 1
1 959 . 3 1 1 A 94 94 PHE HA H 94 4.780 5.675 -0.895 1
1 962 . 3 1 1 A 94 94 PHE C C 94 176.400 173.729 2.671 1
1 963 . 3 1 1 A 94 94 PHE CA C 94 58.300 55.763 2.537 1
1 964 . 3 1 1 A 94 94 PHE CB C 94 38.500 41.538 -3.038 1
1 965 . 3 1 1 A 94 94 PHE N N 94 127.100 124.933 2.167 1
1 966 . 3 1 1 A 95 95 CYS H H 95 9.190 8.715 0.475 1
1 967 . 3 1 1 A 95 95 CYS HA H 95 4.810 4.856 -0.046 1
1 970 . 3 1 1 A 95 95 CYS CA C 95 57.300 57.601 -0.301 1
1 971 . 3 1 1 A 95 95 CYS CB C 95 28.700 28.306 0.394 1
1 972 . 3 1 1 A 95 95 CYS N N 95 128.200 127.778 0.422 1
1 973 . 3 1 1 A 96 96 ILE H H 96 7.510 9.063 -1.553 1
1 974 . 3 1 1 A 96 96 ILE HA H 96 4.620 4.862 -0.242 1
1 983 . 3 1 1 A 96 96 ILE C C 96 173.700 175.674 -1.974 1
1 984 . 3 1 1 A 96 96 ILE CA C 96 55.800 59.533 -3.733 1
1 985 . 3 1 1 A 96 96 ILE CB C 96 39.900 40.810 -0.910 1
1 989 . 3 1 1 A 96 96 ILE N N 96 130.700 129.974 0.726 1
1 990 . 3 1 1 A 97 97 PHE H H 97 8.040 8.950 -0.910 1
1 991 . 3 1 1 A 97 97 PHE HA H 97 4.920 4.863 0.057 1
1 994 . 3 1 1 A 97 97 PHE C C 97 178.800 176.974 1.826 1
1 995 . 3 1 1 A 97 97 PHE CA C 97 57.500 58.100 -0.600 1
1 996 . 3 1 1 A 97 97 PHE CB C 97 38.400 40.027 -1.627 1
1 997 . 3 1 1 A 97 97 PHE N N 97 122.400 127.454 -5.054 1
1 998 . 3 1 1 A 98 98 SER HA H 98 4.380 4.490 -0.110 1
1 1001 . 3 1 1 A 98 98 SER C C 98 176.400 175.930 0.470 1
1 1002 . 3 1 1 A 98 98 SER CA C 98 64.900 60.251 4.649 1
1 1003 . 3 1 1 A 98 98 SER CB C 98 63.600 63.905 -0.305 1
1 1004 . 3 1 1 A 99 99 SER H H 99 9.360 7.942 1.418 1
1 1005 . 3 1 1 A 99 99 SER HA H 99 4.300 4.292 0.008 1
1 1008 . 3 1 1 A 99 99 SER C C 99 175.800 176.841 -1.041 1
1 1009 . 3 1 1 A 99 99 SER CA C 99 60.200 60.724 -0.524 1
1 1010 . 3 1 1 A 99 99 SER CB C 99 62.700 63.138 -0.438 1
1 1011 . 3 1 1 A 99 99 SER N N 99 114.100 116.954 -2.854 1
1 1012 . 3 1 1 A 100 100 SER H H 100 8.150 8.152 -0.002 1
1 1013 . 3 1 1 A 100 100 SER HA H 100 4.630 4.374 0.256 1
1 1016 . 3 1 1 A 100 100 SER C C 100 173.500 174.133 -0.633 1
1 1017 . 3 1 1 A 100 100 SER CA C 100 60.400 60.975 -0.575 1
1 1018 . 3 1 1 A 100 100 SER CB C 100 63.600 63.946 -0.346 1
1 1019 . 3 1 1 A 100 100 SER N N 100 118.700 114.828 3.872 1
1 1020 . 3 1 1 A 101 101 LEU H H 101 8.100 7.873 0.227 1
1 1021 . 3 1 1 A 101 101 LEU HA H 101 5.570 5.007 0.563 1
1 1031 . 3 1 1 A 101 101 LEU C C 101 176.000 174.469 1.531 1
1 1032 . 3 1 1 A 101 101 LEU CA C 101 53.400 53.745 -0.345 1
1 1033 . 3 1 1 A 101 101 LEU CB C 101 46.700 44.800 1.900 1
1 1036 . 3 1 1 A 101 101 LEU N N 101 122.000 116.865 5.135 1
1 1037 . 3 1 1 A 102 102 LYS H H 102 8.950 8.540 0.410 1
1 1038 . 3 1 1 A 102 102 LYS HA H 102 4.710 5.072 -0.362 1
1 1045 . 3 1 1 A 102 102 LYS C C 102 174.400 175.046 -0.646 1
1 1046 . 3 1 1 A 102 102 LYS CA C 102 55.400 54.478 0.922 1
1 1047 . 3 1 1 A 102 102 LYS CB C 102 36.500 35.790 0.710 1
1 1051 . 3 1 1 A 102 102 LYS N N 102 119.500 118.945 0.555 1
1 1052 . 3 1 1 A 103 103 PHE H H 103 9.010 9.004 0.006 1
1 1053 . 3 1 1 A 103 103 PHE HA H 103 4.750 5.054 -0.304 1
1 1056 . 3 1 1 A 103 103 PHE C C 103 173.900 173.427 0.473 1
1 1057 . 3 1 1 A 103 103 PHE CA C 103 57.100 55.387 1.713 1
1 1058 . 3 1 1 A 103 103 PHE CB C 103 41.300 41.930 -0.630 1
1 1059 . 3 1 1 A 103 103 PHE N N 103 124.500 123.478 1.022 1
1 1060 . 3 1 1 A 104 104 VAL H H 104 8.550 8.728 -0.178 1
1 1061 . 3 1 1 A 104 104 VAL HA H 104 4.140 4.670 -0.530 1
1 1069 . 3 1 1 A 104 104 VAL C C 104 172.800 173.610 -0.810 1
1 1070 . 3 1 1 A 104 104 VAL CA C 104 58.800 58.618 0.182 1
1 1071 . 3 1 1 A 104 104 VAL CB C 104 32.300 33.217 -0.917 1
1 1074 . 3 1 1 A 104 104 VAL N N 104 132.000 128.130 3.870 1
1 1075 . 3 1 1 A 105 105 PRO HA H 105 4.110 4.258 -0.148 1
1 1082 . 3 1 1 A 105 105 PRO C C 105 176.400 176.968 -0.568 1
1 1083 . 3 1 1 A 105 105 PRO CA C 105 62.400 62.384 0.016 1
1 1084 . 3 1 1 A 105 105 PRO CB C 105 32.400 31.944 0.456 1
1 1087 . 3 1 1 A 106 106 LYS H H 106 7.900 8.123 -0.223 1
1 1088 . 3 1 1 A 106 106 LYS HA H 106 4.170 4.265 -0.095 1
1 1096 . 3 1 1 A 106 106 LYS C C 106 176.900 176.761 0.139 1
1 1097 . 3 1 1 A 106 106 LYS CA C 106 56.700 56.711 -0.011 1
1 1098 . 3 1 1 A 106 106 LYS CB C 106 33.500 33.925 -0.425 1
1 1102 . 3 1 1 A 106 106 LYS N N 106 123.200 121.809 1.391 1
1 1103 . 3 1 1 A 107 107 GLY H H 107 8.740 8.355 0.385 1
1 1104 . 3 1 1 A 107 107 GLY HA2 H 107 3.930 4.141 -0.211 1
1 1105 . 3 1 1 A 107 107 GLY HA3 H 107 3.960 4.148 -0.188 1
1 1106 . 3 1 1 A 107 107 GLY C C 107 174.000 175.000 -1.000 1
1 1107 . 3 1 1 A 107 107 GLY CA C 107 45.000 45.236 -0.236 1
1 1108 . 3 1 1 A 107 107 GLY N N 107 113.500 109.158 4.342 1
1 1109 . 3 1 1 A 108 108 LYS H H 108 8.240 8.085 0.155 1
1 1110 . 3 1 1 A 108 108 LYS HA H 108 4.290 4.334 -0.044 1
1 1118 . 3 1 1 A 108 108 LYS C C 108 176.700 178.482 -1.782 1
1 1119 . 3 1 1 A 108 108 LYS CA C 108 56.000 58.089 -2.089 1
1 1120 . 3 1 1 A 108 108 LYS CB C 108 32.700 33.347 -0.647 1
1 1124 . 3 1 1 A 108 108 LYS N N 108 121.500 118.324 3.176 1
1 1125 . 3 1 1 A 109 109 GLU H H 109 8.650 7.861 0.789 1
1 1126 . 3 1 1 A 109 109 GLU HA H 109 4.180 4.120 0.060 1
1 1131 . 3 1 1 A 109 109 GLU C C 109 176.500 176.081 0.419 1
1 1132 . 3 1 1 A 109 109 GLU CA C 109 56.600 59.307 -2.707 1
1 1133 . 3 1 1 A 109 109 GLU CB C 109 29.900 29.566 0.334 1
1 1135 . 3 1 1 A 109 109 GLU N N 109 122.800 119.560 3.240 1
1 1136 . 3 1 1 A 110 110 ALA H H 110 8.400 7.814 0.586 1
1 1137 . 3 1 1 A 110 110 ALA HA H 110 4.190 4.115 0.075 1
1 1141 . 3 1 1 A 110 110 ALA CA C 110 52.500 54.003 -1.503 1
1 1142 . 3 1 1 A 110 110 ALA CB C 110 19.000 18.262 0.738 1
1 1143 . 3 1 1 A 110 110 ALA N N 110 126.100 121.294 4.806 1
1 1144 . 3 1 1 A 111 111 ALA H H 111 8.240 8.928 -0.688 1
1 1145 . 3 1 1 A 111 111 ALA HA H 111 4.220 3.921 0.299 1
1 1149 . 3 1 1 A 111 111 ALA C C 111 177.800 176.691 1.109 1
1 1150 . 3 1 1 A 111 111 ALA CA C 111 52.600 53.487 -0.887 1
1 1151 . 3 1 1 A 111 111 ALA CB C 111 19.000 17.572 1.428 1
1 1152 . 3 1 1 A 111 111 ALA N N 111 123.800 119.093 4.707 1
1 1153 . 3 1 1 A 112 112 ALA H H 112 8.220 8.331 -0.111 1
1 1154 . 3 1 1 A 112 112 ALA HA H 112 4.250 4.168 0.082 1
1 1158 . 3 1 1 A 112 112 ALA C C 112 178.100 176.596 1.504 1
1 1159 . 3 1 1 A 112 112 ALA CA C 112 52.600 54.230 -1.630 1
1 1160 . 3 1 1 A 112 112 ALA CB C 112 19.100 18.307 0.793 1
1 1161 . 3 1 1 A 112 112 ALA N N 112 123.600 112.580 11.020 1
1 1162 . 3 1 1 A 113 113 SER H H 113 8.200 8.578 -0.378 1
1 1163 . 3 1 1 A 113 113 SER HA H 113 4.360 5.228 -0.868 1
1 1166 . 3 1 1 A 113 113 SER C C 113 174.800 172.837 1.963 1
1 1167 . 3 1 1 A 113 113 SER CA C 113 58.300 58.003 0.297 1
1 1168 . 3 1 1 A 113 113 SER CB C 113 63.500 65.763 -2.263 1
1 1169 . 3 1 1 A 113 113 SER N N 113 115.400 113.180 2.220 1
1 1170 . 3 1 1 A 114 114 GLN H H 114 8.320 8.800 -0.480 1
1 1171 . 3 1 1 A 114 114 GLN HA H 114 4.290 4.679 -0.389 1
1 1178 . 3 1 1 A 114 114 GLN C C 114 176.500 175.738 0.762 1
1 1179 . 3 1 1 A 114 114 GLN CA C 114 55.900 55.444 0.456 1
1 1180 . 3 1 1 A 114 114 GLN CB C 114 29.300 30.719 -1.419 1
1 1182 . 3 1 1 A 114 114 GLN N N 114 122.500 126.995 -4.495 1
1 1183 . 3 1 1 A 115 115 GLY H H 115 8.370 8.529 -0.159 1
1 1184 . 3 1 1 A 115 115 GLY HA2 H 115 3.850 4.099 -0.249 1
1 1185 . 3 1 1 A 115 115 GLY HA3 H 115 3.850 4.153 -0.303 1
1 1186 . 3 1 1 A 115 115 GLY C C 115 173.900 171.577 2.323 1
1 1187 . 3 1 1 A 115 115 GLY CA C 115 45.400 44.127 1.273 1
1 1188 . 3 1 1 A 115 115 GLY N N 115 110.000 109.385 0.615 1
1 1189 . 3 1 1 A 116 116 HIS H H 116 8.290 8.377 -0.087 1
1 1190 . 3 1 1 A 116 116 HIS HA H 116 4.620 5.244 -0.624 1
1 1195 . 3 1 1 A 116 116 HIS C C 116 174.600 172.087 2.513 1
1 1196 . 3 1 1 A 116 116 HIS CA C 116 55.500 54.449 1.051 1
1 1197 . 3 1 1 A 116 116 HIS CB C 116 29.100 32.006 -2.906 1
1 1198 . 3 1 1 A 116 116 HIS N N 116 119.100 114.006 5.094 1
1 1199 . 3 1 1 A 117 117 LEU H H 117 8.220 8.444 -0.224 1
1 1200 . 3 1 1 A 117 117 LEU HA H 117 4.240 4.726 -0.486 1
1 1210 . 3 1 1 A 117 117 LEU C C 117 174.600 176.009 -1.409 1
1 1211 . 3 1 1 A 117 117 LEU CA C 117 55.100 53.862 1.238 1
1 1212 . 3 1 1 A 117 117 LEU CB C 117 42.300 43.689 -1.389 1
1 1216 . 3 1 1 A 117 117 LEU N N 117 124.100 120.517 3.583 1
1 1217 . 3 1 1 A 118 118 GLU H H 118 8.350 9.020 -0.670 1
1 1218 . 3 1 1 A 118 118 GLU HA H 118 4.160 5.108 -0.948 1
1 1223 . 3 1 1 A 118 118 GLU C C 118 176.000 174.465 1.535 1
1 1224 . 3 1 1 A 118 118 GLU CA C 118 56.300 55.024 1.276 1
1 1225 . 3 1 1 A 118 118 GLU CB C 118 30.300 33.144 -2.844 1
1 1227 . 3 1 1 A 118 118 GLU N N 118 122.300 118.442 3.858 1
1 1228 . 3 1 1 A 119 119 HIS H H 119 8.410 8.510 -0.100 1
1 1229 . 3 1 1 A 119 119 HIS HA H 119 4.570 5.753 -1.183 1
1 1232 . 3 1 1 A 119 119 HIS C C 119 174.500 172.855 1.645 1
1 1233 . 3 1 1 A 119 119 HIS CA C 119 55.400 53.864 1.536 1
1 1234 . 3 1 1 A 119 119 HIS CB C 119 29.400 33.410 -4.010 1
1 1235 . 3 1 1 A 119 119 HIS N N 119 120.500 115.802 4.698 1
1 1236 . 3 1 1 A 120 120 HIS H H 120 8.530 8.840 -0.310 1
1 1237 . 3 1 1 A 120 120 HIS HA H 120 4.640 4.952 -0.312 1
1 1240 . 3 1 1 A 120 120 HIS C C 120 174.400 173.750 0.650 1
1 1241 . 3 1 1 A 120 120 HIS CA C 120 57.900 55.038 2.862 1
1 1242 . 3 1 1 A 120 120 HIS CB C 120 29.400 32.121 -2.721 1
1 1 . 4 1 1 A 3 3 PHE HA H 3 4.650 4.741 -0.091 1
1 4 . 4 1 1 A 3 3 PHE C C 3 174.500 175.681 -1.181 1
1 5 . 4 1 1 A 3 3 PHE CA C 3 57.800 58.140 -0.340 1
1 6 . 4 1 1 A 3 3 PHE CB C 3 39.600 40.361 -0.761 1
1 7 . 4 1 1 A 4 4 CYS H H 4 8.270 8.758 -0.488 1
1 8 . 4 1 1 A 4 4 CYS HA H 4 4.380 4.126 0.254 1
1 11 . 4 1 1 A 4 4 CYS C C 4 173.800 174.002 -0.202 1
1 12 . 4 1 1 A 4 4 CYS CA C 4 58.100 59.953 -1.853 1
1 13 . 4 1 1 A 4 4 CYS CB C 4 28.100 26.617 1.483 1
1 14 . 4 1 1 A 4 4 CYS N N 4 122.600 117.003 5.597 1
1 15 . 4 1 1 A 5 5 SER H H 5 8.250 8.132 0.118 1
1 16 . 4 1 1 A 5 5 SER HA H 5 4.270 4.566 -0.296 1
1 19 . 4 1 1 A 5 5 SER C C 5 173.700 174.192 -0.492 1
1 20 . 4 1 1 A 5 5 SER CA C 5 58.300 56.762 1.538 1
1 21 . 4 1 1 A 5 5 SER CB C 5 63.700 61.502 2.198 1
1 22 . 4 1 1 A 5 5 SER N N 5 119.600 116.655 2.945 1
1 23 . 4 1 1 A 6 6 PHE H H 6 8.010 8.541 -0.531 1
1 24 . 4 1 1 A 6 6 PHE HA H 6 4.560 4.203 0.357 1
1 28 . 4 1 1 A 6 6 PHE C C 6 173.700 174.405 -0.705 1
1 29 . 4 1 1 A 6 6 PHE CA C 6 57.600 58.882 -1.282 1
1 30 . 4 1 1 A 6 6 PHE CB C 6 39.700 37.685 2.015 1
1 31 . 4 1 1 A 6 6 PHE N N 6 122.500 125.911 -3.411 1
1 32 . 4 1 1 A 7 7 PHE H H 7 8.230 7.954 0.276 1
1 33 . 4 1 1 A 7 7 PHE HA H 7 4.530 4.804 -0.274 1
1 36 . 4 1 1 A 7 7 PHE C C 7 175.800 175.458 0.342 1
1 37 . 4 1 1 A 7 7 PHE CA C 7 57.600 57.452 0.148 1
1 38 . 4 1 1 A 7 7 PHE CB C 7 39.700 39.928 -0.228 1
1 39 . 4 1 1 A 7 7 PHE N N 7 123.000 126.706 -3.706 1
1 40 . 4 1 1 A 8 8 GLY H H 8 7.870 7.531 0.339 1
1 41 . 4 1 1 A 8 8 GLY HA2 H 8 3.800 3.939 -0.139 1
1 42 . 4 1 1 A 8 8 GLY HA3 H 8 3.750 3.994 -0.244 1
1 43 . 4 1 1 A 8 8 GLY C C 8 174.300 174.335 -0.035 1
1 44 . 4 1 1 A 8 8 GLY CA C 8 45.300 45.162 0.138 1
1 45 . 4 1 1 A 8 8 GLY N N 8 111.200 106.353 4.847 1
1 46 . 4 1 1 A 9 9 GLY H H 9 7.930 8.064 -0.134 1
1 47 . 4 1 1 A 9 9 GLY HA2 H 9 3.920 3.907 0.013 1
1 48 . 4 1 1 A 9 9 GLY HA3 H 9 3.850 4.033 -0.183 1
1 49 . 4 1 1 A 9 9 GLY C C 9 175.200 171.889 3.311 1
1 50 . 4 1 1 A 9 9 GLY CA C 9 45.100 45.654 -0.554 1
1 51 . 4 1 1 A 9 9 GLY N N 9 108.400 107.755 0.645 1
1 52 . 4 1 1 A 10 10 GLU H H 10 8.400 8.283 0.117 1
1 53 . 4 1 1 A 10 10 GLU HA H 10 4.360 4.771 -0.411 1
1 58 . 4 1 1 A 10 10 GLU C C 10 178.400 175.825 2.575 1
1 59 . 4 1 1 A 10 10 GLU CA C 10 54.700 54.531 0.169 1
1 60 . 4 1 1 A 10 10 GLU CB C 10 36.700 33.121 3.579 1
1 62 . 4 1 1 A 10 10 GLU N N 10 122.600 123.013 -0.413 1
1 63 . 4 1 1 A 11 11 VAL H H 11 7.940 8.070 -0.130 1
1 64 . 4 1 1 A 11 11 VAL HA H 11 3.680 4.300 -0.620 1
1 72 . 4 1 1 A 11 11 VAL C C 11 176.600 176.434 0.166 1
1 73 . 4 1 1 A 11 11 VAL CA C 11 63.800 63.601 0.199 1
1 74 . 4 1 1 A 11 11 VAL CB C 11 31.200 32.799 -1.599 1
1 77 . 4 1 1 A 11 11 VAL N N 11 120.300 120.677 -0.377 1
1 78 . 4 1 1 A 12 12 PHE H H 12 7.730 6.782 0.948 1
1 79 . 4 1 1 A 12 12 PHE HA H 12 5.200 4.506 0.694 1
1 83 . 4 1 1 A 12 12 PHE C C 12 177.100 175.986 1.114 1
1 84 . 4 1 1 A 12 12 PHE CA C 12 55.700 56.352 -0.652 1
1 85 . 4 1 1 A 12 12 PHE CB C 12 38.200 38.917 -0.717 1
1 86 . 4 1 1 A 12 12 PHE N N 12 113.700 115.884 -2.184 1
1 87 . 4 1 1 A 13 13 GLN H H 13 8.080 7.598 0.482 1
1 88 . 4 1 1 A 13 13 GLN HA H 13 3.270 3.845 -0.575 1
1 95 . 4 1 1 A 13 13 GLN C C 13 175.400 176.786 -1.386 1
1 96 . 4 1 1 A 13 13 GLN CA C 13 62.100 58.752 3.348 1
1 97 . 4 1 1 A 13 13 GLN CB C 13 27.100 28.750 -1.650 1
1 99 . 4 1 1 A 13 13 GLN N N 13 126.400 120.308 6.092 1
1 100 . 4 1 1 A 14 14 ASN H H 14 8.580 8.072 0.508 1
1 101 . 4 1 1 A 14 14 ASN HA H 14 5.010 4.914 0.096 1
1 106 . 4 1 1 A 14 14 ASN C C 14 173.000 174.621 -1.621 1
1 107 . 4 1 1 A 14 14 ASN CA C 14 51.500 52.486 -0.986 1
1 108 . 4 1 1 A 14 14 ASN CB C 14 37.900 39.699 -1.799 1
1 109 . 4 1 1 A 14 14 ASN N N 14 115.900 116.011 -0.111 1
1 111 . 4 1 1 A 15 15 HIS H H 15 6.070 7.252 -1.182 1
1 112 . 4 1 1 A 15 15 HIS HA H 15 4.370 5.141 -0.771 1
1 117 . 4 1 1 A 15 15 HIS C C 15 174.400 173.993 0.407 1
1 118 . 4 1 1 A 15 15 HIS CA C 15 56.600 54.193 2.407 1
1 119 . 4 1 1 A 15 15 HIS CB C 15 33.400 31.304 2.096 1
1 120 . 4 1 1 A 15 15 HIS N N 15 120.500 116.507 3.993 1
1 121 . 4 1 1 A 16 16 PHE H H 16 8.880 8.925 -0.045 1
1 122 . 4 1 1 A 16 16 PHE HA H 16 4.870 4.735 0.135 1
1 125 . 4 1 1 A 16 16 PHE C C 16 174.300 174.636 -0.336 1
1 126 . 4 1 1 A 16 16 PHE CA C 16 57.100 56.636 0.464 1
1 127 . 4 1 1 A 16 16 PHE CB C 16 39.700 39.894 -0.194 1
1 128 . 4 1 1 A 16 16 PHE N N 16 127.200 126.598 0.602 1
1 129 . 4 1 1 A 17 17 GLU H H 17 5.780 7.583 -1.803 1
1 130 . 4 1 1 A 17 17 GLU HA H 17 4.500 4.833 -0.333 1
1 135 . 4 1 1 A 17 17 GLU C C 17 174.300 174.621 -0.321 1
1 136 . 4 1 1 A 17 17 GLU CA C 17 53.500 54.391 -0.891 1
1 137 . 4 1 1 A 17 17 GLU CB C 17 30.700 30.731 -0.031 1
1 139 . 4 1 1 A 17 17 GLU N N 17 119.900 118.035 1.865 1
1 140 . 4 1 1 A 18 18 PRO HA H 18 4.630 4.307 0.323 1
1 147 . 4 1 1 A 18 18 PRO C C 18 178.100 177.394 0.706 1
1 148 . 4 1 1 A 18 18 PRO CA C 18 62.700 63.869 -1.169 1
1 149 . 4 1 1 A 18 18 PRO CB C 18 31.400 31.379 0.021 1
1 152 . 4 1 1 A 19 19 GLY H H 19 8.820 8.657 0.163 1
1 153 . 4 1 1 A 19 19 GLY HA2 H 19 4.500 3.631 0.869 1
1 154 . 4 1 1 A 19 19 GLY HA3 H 19 3.630 3.761 -0.131 1
1 155 . 4 1 1 A 19 19 GLY C C 19 171.000 172.552 -1.552 1
1 156 . 4 1 1 A 19 19 GLY CA C 19 46.200 44.711 1.489 1
1 157 . 4 1 1 A 19 19 GLY N N 19 111.300 111.333 -0.033 1
1 158 . 4 1 1 A 20 20 VAL H H 20 8.070 7.982 0.088 1
1 159 . 4 1 1 A 20 20 VAL HA H 20 4.750 4.764 -0.014 1
1 167 . 4 1 1 A 20 20 VAL C C 20 172.300 172.978 -0.678 1
1 168 . 4 1 1 A 20 20 VAL CA C 20 60.200 60.154 0.046 1
1 169 . 4 1 1 A 20 20 VAL CB C 20 36.100 35.431 0.669 1
1 172 . 4 1 1 A 20 20 VAL N N 20 120.700 117.293 3.407 1
1 173 . 4 1 1 A 21 21 TYR H H 21 9.560 8.666 0.894 1
1 174 . 4 1 1 A 21 21 TYR HA H 21 5.230 5.412 -0.182 1
1 177 . 4 1 1 A 21 21 TYR C C 21 175.600 173.853 1.747 1
1 178 . 4 1 1 A 21 21 TYR CA C 21 56.800 56.260 0.540 1
1 179 . 4 1 1 A 21 21 TYR CB C 21 39.200 42.062 -2.862 1
1 180 . 4 1 1 A 21 21 TYR N N 21 123.200 125.793 -2.593 1
1 181 . 4 1 1 A 22 22 VAL H H 22 9.400 8.461 0.939 1
1 182 . 4 1 1 A 22 22 VAL HA H 22 4.950 4.544 0.406 1
1 190 . 4 1 1 A 22 22 VAL C C 22 174.000 173.834 0.166 1
1 191 . 4 1 1 A 22 22 VAL CA C 22 57.100 58.875 -1.775 1
1 192 . 4 1 1 A 22 22 VAL CB C 22 33.900 35.840 -1.940 1
1 195 . 4 1 1 A 22 22 VAL N N 22 119.100 121.249 -2.149 1
1 196 . 4 1 1 A 23 23 CYS H H 23 9.020 8.531 0.489 1
1 197 . 4 1 1 A 23 23 CYS HA H 23 4.260 4.829 -0.569 1
1 200 . 4 1 1 A 23 23 CYS C C 23 178.700 175.846 2.854 1
1 201 . 4 1 1 A 23 23 CYS CA C 23 60.600 58.964 1.636 1
1 202 . 4 1 1 A 23 23 CYS CB C 23 31.700 29.265 2.435 1
1 203 . 4 1 1 A 23 23 CYS N N 23 123.800 122.534 1.266 1
1 204 . 4 1 1 A 24 24 ALA H H 24 8.760 9.055 -0.295 1
1 205 . 4 1 1 A 24 24 ALA HA H 24 3.840 4.066 -0.226 1
1 209 . 4 1 1 A 24 24 ALA C C 24 177.500 179.078 -1.578 1
1 210 . 4 1 1 A 24 24 ALA CA C 24 55.000 54.736 0.264 1
1 211 . 4 1 1 A 24 24 ALA CB C 24 18.700 18.377 0.323 1
1 212 . 4 1 1 A 24 24 ALA N N 24 131.900 128.838 3.062 1
1 213 . 4 1 1 A 25 25 LYS H H 25 9.200 7.649 1.551 1
1 214 . 4 1 1 A 25 25 LYS HA H 25 4.380 4.334 0.046 1
1 222 . 4 1 1 A 25 25 LYS C C 25 178.100 179.111 -1.011 1
1 223 . 4 1 1 A 25 25 LYS CA C 25 57.900 58.295 -0.395 1
1 224 . 4 1 1 A 25 25 LYS CB C 25 33.500 33.333 0.167 1
1 228 . 4 1 1 A 25 25 LYS N N 25 120.000 116.850 3.150 1
1 229 . 4 1 1 A 26 26 CYS H H 26 8.730 8.000 0.730 1
1 230 . 4 1 1 A 26 26 CYS HA H 26 5.000 4.233 0.767 1
1 233 . 4 1 1 A 26 26 CYS C C 26 177.000 175.152 1.848 1
1 234 . 4 1 1 A 26 26 CYS CA C 26 59.400 62.824 -3.424 1
1 235 . 4 1 1 A 26 26 CYS CB C 26 32.900 27.643 5.257 1
1 236 . 4 1 1 A 26 26 CYS N N 26 120.900 117.963 2.937 1
1 237 . 4 1 1 A 27 27 SER H H 27 8.170 8.173 -0.003 1
1 238 . 4 1 1 A 27 27 SER HA H 27 4.140 4.419 -0.279 1
1 241 . 4 1 1 A 27 27 SER C C 27 174.800 174.030 0.770 1
1 242 . 4 1 1 A 27 27 SER CA C 27 60.900 59.242 1.658 1
1 243 . 4 1 1 A 27 27 SER CB C 27 61.600 61.080 0.520 1
1 244 . 4 1 1 A 27 27 SER N N 27 115.800 115.546 0.254 1
1 245 . 4 1 1 A 28 28 TYR H H 28 9.010 7.862 1.148 1
1 246 . 4 1 1 A 28 28 TYR HA H 28 4.420 4.724 -0.304 1
1 249 . 4 1 1 A 28 28 TYR C C 28 176.600 174.883 1.717 1
1 250 . 4 1 1 A 28 28 TYR CA C 28 59.300 56.472 2.828 1
1 251 . 4 1 1 A 28 28 TYR CB C 28 39.600 38.745 0.855 1
1 252 . 4 1 1 A 28 28 TYR N N 28 127.100 122.599 4.501 1
1 253 . 4 1 1 A 29 29 GLU H H 29 7.730 8.545 -0.815 1
1 254 . 4 1 1 A 29 29 GLU HA H 29 3.670 4.113 -0.443 1
1 259 . 4 1 1 A 29 29 GLU C C 29 174.900 176.489 -1.589 1
1 260 . 4 1 1 A 29 29 GLU CA C 29 58.700 57.278 1.422 1
1 261 . 4 1 1 A 29 29 GLU CB C 29 29.800 29.739 0.061 1
1 263 . 4 1 1 A 29 29 GLU N N 29 124.500 127.727 -3.227 1
1 264 . 4 1 1 A 30 30 LEU H H 30 7.940 8.707 -0.767 1
1 265 . 4 1 1 A 30 30 LEU HA H 30 4.140 4.933 -0.793 1
1 274 . 4 1 1 A 30 30 LEU C C 30 175.400 175.781 -0.381 1
1 275 . 4 1 1 A 30 30 LEU CA C 30 56.200 53.453 2.747 1
1 276 . 4 1 1 A 30 30 LEU CB C 30 46.700 45.310 1.390 1
1 277 . 4 1 1 A 30 30 LEU N N 30 121.800 121.338 0.462 1
1 278 . 4 1 1 A 31 31 PHE H H 31 7.880 8.731 -0.851 1
1 279 . 4 1 1 A 31 31 PHE HA H 31 4.720 5.093 -0.373 1
1 282 . 4 1 1 A 31 31 PHE C C 31 174.600 173.097 1.503 1
1 283 . 4 1 1 A 31 31 PHE CA C 31 56.600 57.958 -1.358 1
1 284 . 4 1 1 A 31 31 PHE CB C 31 45.300 42.909 2.391 1
1 285 . 4 1 1 A 31 31 PHE N N 31 113.300 123.348 -10.048 1
1 286 . 4 1 1 A 32 32 SER H H 32 10.030 7.993 2.037 1
1 287 . 4 1 1 A 32 32 SER HA H 32 4.860 4.649 0.211 1
1 290 . 4 1 1 A 32 32 SER CA C 32 57.000 55.832 1.168 1
1 291 . 4 1 1 A 32 32 SER CB C 32 63.700 66.121 -2.421 1
1 292 . 4 1 1 A 32 32 SER N N 32 118.700 121.355 -2.655 1
1 293 . 4 1 1 A 33 33 SER H H 33 8.990 8.468 0.522 1
1 294 . 4 1 1 A 33 33 SER HA H 33 4.840 4.266 0.574 1
1 297 . 4 1 1 A 33 33 SER C C 33 177.300 175.039 2.261 1
1 298 . 4 1 1 A 33 33 SER CA C 33 63.700 59.822 3.878 1
1 299 . 4 1 1 A 33 33 SER CB C 33 63.700 63.560 0.140 1
1 300 . 4 1 1 A 33 33 SER N N 33 123.100 117.830 5.270 1
1 301 . 4 1 1 A 34 34 HIS HA H 34 4.710 4.788 -0.078 1
1 304 . 4 1 1 A 34 34 HIS C C 34 175.800 176.763 -0.963 1
1 305 . 4 1 1 A 34 34 HIS CA C 34 57.900 57.232 0.668 1
1 306 . 4 1 1 A 34 34 HIS CB C 34 28.600 31.407 -2.807 1
1 307 . 4 1 1 A 35 35 SER H H 35 7.960 7.917 0.043 1
1 308 . 4 1 1 A 35 35 SER HA H 35 4.820 4.168 0.652 1
1 311 . 4 1 1 A 35 35 SER C C 35 173.200 174.177 -0.977 1
1 312 . 4 1 1 A 35 35 SER CA C 35 58.100 60.657 -2.557 1
1 313 . 4 1 1 A 35 35 SER CB C 35 65.300 63.026 2.274 1
1 314 . 4 1 1 A 35 35 SER N N 35 114.500 113.291 1.209 1
1 315 . 4 1 1 A 36 36 LYS H H 36 7.630 7.521 0.109 1
1 316 . 4 1 1 A 36 36 LYS HA H 36 4.890 4.718 0.172 1
1 322 . 4 1 1 A 36 36 LYS C C 36 176.100 174.808 1.292 1
1 323 . 4 1 1 A 36 36 LYS CA C 36 55.400 54.452 0.948 1
1 324 . 4 1 1 A 36 36 LYS CB C 36 35.400 36.328 -0.928 1
1 328 . 4 1 1 A 36 36 LYS N N 36 126.900 118.966 7.934 1
1 329 . 4 1 1 A 37 37 TYR H H 37 8.440 9.009 -0.569 1
1 330 . 4 1 1 A 37 37 TYR HA H 37 5.100 5.268 -0.168 1
1 333 . 4 1 1 A 37 37 TYR C C 37 172.800 175.018 -2.218 1
1 334 . 4 1 1 A 37 37 TYR CA C 37 55.400 56.700 -1.300 1
1 335 . 4 1 1 A 37 37 TYR CB C 37 41.000 43.384 -2.384 1
1 336 . 4 1 1 A 37 37 TYR N N 37 124.200 120.670 3.530 1
1 337 . 4 1 1 A 38 38 ALA H H 38 8.590 8.650 -0.060 1
1 338 . 4 1 1 A 38 38 ALA HA H 38 4.630 5.009 -0.379 1
1 342 . 4 1 1 A 38 38 ALA C C 38 175.900 176.776 -0.876 1
1 343 . 4 1 1 A 38 38 ALA CA C 38 52.500 51.294 1.206 1
1 344 . 4 1 1 A 38 38 ALA CB C 38 18.300 20.712 -2.412 1
1 345 . 4 1 1 A 38 38 ALA N N 38 125.100 124.492 0.608 1
1 346 . 4 1 1 A 39 39 HIS H H 39 8.080 8.794 -0.714 1
1 347 . 4 1 1 A 39 39 HIS HA H 39 4.620 5.043 -0.423 1
1 352 . 4 1 1 A 39 39 HIS C C 39 174.100 172.514 1.586 1
1 353 . 4 1 1 A 39 39 HIS CA C 39 57.000 55.955 1.045 1
1 354 . 4 1 1 A 39 39 HIS CB C 39 34.600 33.512 1.088 1
1 355 . 4 1 1 A 39 39 HIS N N 39 125.600 121.826 3.774 1
1 356 . 4 1 1 A 40 40 SER H H 40 6.860 8.278 -1.418 1
1 357 . 4 1 1 A 40 40 SER HA H 40 4.060 4.865 -0.805 1
1 360 . 4 1 1 A 40 40 SER C C 40 174.900 173.106 1.794 1
1 361 . 4 1 1 A 40 40 SER CA C 40 58.800 57.451 1.349 1
1 362 . 4 1 1 A 40 40 SER CB C 40 62.700 63.921 -1.221 1
1 363 . 4 1 1 A 40 40 SER N N 40 118.700 121.136 -2.436 1
1 364 . 4 1 1 A 41 41 SER H H 41 9.140 8.877 0.263 1
1 365 . 4 1 1 A 41 41 SER HA H 41 4.480 4.969 -0.489 1
1 368 . 4 1 1 A 41 41 SER C C 41 173.600 171.360 2.240 1
1 369 . 4 1 1 A 41 41 SER CA C 41 57.800 56.474 1.326 1
1 370 . 4 1 1 A 41 41 SER CB C 41 63.600 65.275 -1.675 1
1 371 . 4 1 1 A 41 41 SER N N 41 122.500 120.031 2.469 1
1 372 . 4 1 1 A 42 42 PRO HA H 42 4.040 4.113 -0.073 1
1 379 . 4 1 1 A 42 42 PRO C C 42 174.900 176.702 -1.802 1
1 380 . 4 1 1 A 42 42 PRO CA C 42 63.700 63.261 0.439 1
1 381 . 4 1 1 A 42 42 PRO CB C 42 31.500 31.836 -0.336 1
1 384 . 4 1 1 A 43 43 TRP H H 43 6.590 7.880 -1.290 1
1 385 . 4 1 1 A 43 43 TRP HA H 43 4.850 4.097 0.753 1
1 394 . 4 1 1 A 43 43 TRP C C 43 174.100 175.004 -0.904 1
1 395 . 4 1 1 A 43 43 TRP CA C 43 57.300 57.636 -0.336 1
1 396 . 4 1 1 A 43 43 TRP CB C 43 29.500 27.474 2.026 1
1 397 . 4 1 1 A 43 43 TRP N N 43 113.900 117.453 -3.553 1
1 399 . 4 1 1 A 44 44 PRO HA H 44 3.810 4.643 -0.833 1
1 405 . 4 1 1 A 44 44 PRO C C 44 174.800 175.550 -0.750 1
1 406 . 4 1 1 A 44 44 PRO CA C 44 63.200 62.519 0.681 1
1 407 . 4 1 1 A 44 44 PRO CB C 44 32.200 33.024 -0.824 1
1 410 . 4 1 1 A 45 45 ALA H H 45 7.850 8.108 -0.258 1
1 411 . 4 1 1 A 45 45 ALA HA H 45 5.260 4.343 0.917 1
1 415 . 4 1 1 A 45 45 ALA C C 45 174.800 175.249 -0.449 1
1 416 . 4 1 1 A 45 45 ALA CA C 45 50.100 50.682 -0.582 1
1 417 . 4 1 1 A 45 45 ALA CB C 45 20.800 23.407 -2.607 1
1 418 . 4 1 1 A 45 45 ALA N N 45 126.700 119.931 6.769 1
1 419 . 4 1 1 A 46 46 PHE H H 46 8.080 8.309 -0.229 1
1 420 . 4 1 1 A 46 46 PHE HA H 46 5.860 5.107 0.753 1
1 424 . 4 1 1 A 46 46 PHE C C 46 177.800 176.370 1.430 1
1 425 . 4 1 1 A 46 46 PHE CA C 46 54.800 56.352 -1.552 1
1 426 . 4 1 1 A 46 46 PHE CB C 46 44.500 41.416 3.084 1
1 427 . 4 1 1 A 46 46 PHE N N 46 115.600 117.176 -1.576 1
1 428 . 4 1 1 A 47 47 THR H H 47 9.190 8.643 0.547 1
1 429 . 4 1 1 A 47 47 THR HA H 47 5.220 4.117 1.103 1
1 434 . 4 1 1 A 47 47 THR C C 47 175.000 174.194 0.806 1
1 435 . 4 1 1 A 47 47 THR CA C 47 63.000 65.904 -2.904 1
1 436 . 4 1 1 A 47 47 THR CB C 47 70.500 68.336 2.164 1
1 438 . 4 1 1 A 47 47 THR N N 47 109.900 117.663 -7.763 1
1 439 . 4 1 1 A 48 48 GLU H H 48 7.320 7.475 -0.155 1
1 440 . 4 1 1 A 48 48 GLU HA H 48 4.920 4.813 0.107 1
1 445 . 4 1 1 A 48 48 GLU C C 48 175.400 174.975 0.425 1
1 446 . 4 1 1 A 48 48 GLU CA C 48 55.200 54.387 0.813 1
1 447 . 4 1 1 A 48 48 GLU CB C 48 31.900 33.325 -1.425 1
1 449 . 4 1 1 A 48 48 GLU N N 48 115.400 118.840 -3.440 1
1 450 . 4 1 1 A 49 49 THR H H 49 8.150 8.411 -0.261 1
1 451 . 4 1 1 A 49 49 THR HA H 49 4.090 5.103 -1.013 1
1 456 . 4 1 1 A 49 49 THR C C 49 175.800 175.066 0.734 1
1 457 . 4 1 1 A 49 49 THR CA C 49 60.000 59.482 0.518 1
1 458 . 4 1 1 A 49 49 THR CB C 49 70.400 71.725 -1.325 1
1 460 . 4 1 1 A 49 49 THR N N 49 111.400 111.270 0.130 1
1 461 . 4 1 1 A 50 50 ILE H H 50 7.720 8.656 -0.936 1
1 462 . 4 1 1 A 50 50 ILE HA H 50 3.630 4.202 -0.572 1
1 472 . 4 1 1 A 50 50 ILE C C 50 174.500 176.503 -2.003 1
1 473 . 4 1 1 A 50 50 ILE CA C 50 64.100 61.652 2.448 1
1 474 . 4 1 1 A 50 50 ILE CB C 50 38.700 38.181 0.519 1
1 478 . 4 1 1 A 50 50 ILE N N 50 121.700 121.584 0.116 1
1 479 . 4 1 1 A 51 51 HIS H H 51 7.400 7.762 -0.362 1
1 480 . 4 1 1 A 51 51 HIS HA H 51 5.300 4.729 0.571 1
1 484 . 4 1 1 A 51 51 HIS C C 51 175.500 173.628 1.872 1
1 485 . 4 1 1 A 51 51 HIS CA C 51 51.800 55.292 -3.492 1
1 486 . 4 1 1 A 51 51 HIS CB C 51 29.700 29.140 0.560 1
1 487 . 4 1 1 A 51 51 HIS N N 51 115.500 122.540 -7.040 1
1 488 . 4 1 1 A 52 52 PRO HA H 52 4.350 4.547 -0.197 1
1 495 . 4 1 1 A 52 52 PRO C C 52 176.900 175.745 1.155 1
1 496 . 4 1 1 A 52 52 PRO CA C 52 64.800 62.383 2.417 1
1 497 . 4 1 1 A 52 52 PRO CB C 52 31.300 33.282 -1.982 1
1 500 . 4 1 1 A 53 53 ASP H H 53 8.070 8.545 -0.475 1
1 501 . 4 1 1 A 53 53 ASP HA H 53 4.760 4.486 0.274 1
1 504 . 4 1 1 A 53 53 ASP C C 53 176.900 176.950 -0.050 1
1 505 . 4 1 1 A 53 53 ASP CA C 53 52.100 54.392 -2.292 1
1 506 . 4 1 1 A 53 53 ASP CB C 53 39.700 40.219 -0.519 1
1 507 . 4 1 1 A 53 53 ASP N N 53 114.300 120.502 -6.202 1
1 508 . 4 1 1 A 54 54 SER H H 54 7.720 7.967 -0.247 1
1 509 . 4 1 1 A 54 54 SER HA H 54 4.040 4.434 -0.394 1
1 512 . 4 1 1 A 54 54 SER C C 54 173.200 174.357 -1.157 1
1 513 . 4 1 1 A 54 54 SER CA C 54 64.100 60.162 3.938 1
1 514 . 4 1 1 A 54 54 SER CB C 54 64.200 63.589 0.611 1
1 515 . 4 1 1 A 54 54 SER N N 54 116.300 114.740 1.560 1
1 516 . 4 1 1 A 55 55 VAL H H 55 7.360 7.514 -0.154 1
1 517 . 4 1 1 A 55 55 VAL HA H 55 5.280 4.191 1.089 1
1 525 . 4 1 1 A 55 55 VAL C C 55 175.700 175.292 0.408 1
1 526 . 4 1 1 A 55 55 VAL CA C 55 57.300 61.471 -4.171 1
1 527 . 4 1 1 A 55 55 VAL CB C 55 34.800 33.281 1.519 1
1 530 . 4 1 1 A 55 55 VAL N N 55 105.200 119.371 -14.171 1
1 531 . 4 1 1 A 56 56 THR H H 56 8.780 8.322 0.458 1
1 532 . 4 1 1 A 56 56 THR HA H 56 4.530 5.084 -0.554 1
1 537 . 4 1 1 A 56 56 THR C C 56 173.800 172.702 1.098 1
1 538 . 4 1 1 A 56 56 THR CA C 56 60.500 59.876 0.624 1
1 539 . 4 1 1 A 56 56 THR CB C 56 70.400 71.876 -1.476 1
1 541 . 4 1 1 A 56 56 THR N N 56 116.000 117.470 -1.470 1
1 542 . 4 1 1 A 57 57 LYS H H 57 8.610 8.878 -0.268 1
1 543 . 4 1 1 A 57 57 LYS HA H 57 5.490 5.203 0.287 1
1 550 . 4 1 1 A 57 57 LYS C C 57 176.000 174.659 1.341 1
1 551 . 4 1 1 A 57 57 LYS CA C 57 54.600 54.185 0.415 1
1 552 . 4 1 1 A 57 57 LYS CB C 57 36.000 37.064 -1.064 1
1 556 . 4 1 1 A 57 57 LYS N N 57 121.900 124.166 -2.266 1
1 557 . 4 1 1 A 58 58 CYS H H 58 8.610 8.886 -0.276 1
1 558 . 4 1 1 A 58 58 CYS HA H 58 5.100 5.049 0.051 1
1 561 . 4 1 1 A 58 58 CYS CA C 58 55.200 56.503 -1.303 1
1 562 . 4 1 1 A 58 58 CYS CB C 58 29.700 30.694 -0.994 1
1 563 . 4 1 1 A 58 58 CYS N N 58 120.600 117.575 3.025 1
1 564 . 4 1 1 A 59 59 PRO HA H 59 4.590 4.577 0.013 1
1 571 . 4 1 1 A 59 59 PRO C C 59 176.600 176.580 0.020 1
1 572 . 4 1 1 A 59 59 PRO CA C 59 63.700 62.351 1.349 1
1 573 . 4 1 1 A 59 59 PRO CB C 59 32.100 32.413 -0.313 1
1 576 . 4 1 1 A 60 60 GLU H H 60 8.630 8.586 0.044 1
1 577 . 4 1 1 A 60 60 GLU HA H 60 4.450 4.499 -0.049 1
1 582 . 4 1 1 A 60 60 GLU C C 60 176.900 176.724 0.176 1
1 583 . 4 1 1 A 60 60 GLU CA C 60 55.700 56.456 -0.756 1
1 584 . 4 1 1 A 60 60 GLU CB C 60 30.500 30.468 0.032 1
1 586 . 4 1 1 A 60 60 GLU N N 60 123.900 120.634 3.266 1
1 587 . 4 1 1 A 61 61 LYS H H 61 8.780 9.003 -0.223 1
1 588 . 4 1 1 A 61 61 LYS HA H 61 3.930 4.465 -0.535 1
1 596 . 4 1 1 A 61 61 LYS C C 61 177.100 177.281 -0.181 1
1 597 . 4 1 1 A 61 61 LYS CA C 61 58.300 56.858 1.442 1
1 598 . 4 1 1 A 61 61 LYS CB C 61 31.900 33.984 -2.084 1
1 602 . 4 1 1 A 61 61 LYS N N 61 127.000 123.286 3.714 1
1 603 . 4 1 1 A 62 62 ASN H H 62 8.870 8.300 0.570 1
1 604 . 4 1 1 A 62 62 ASN HA H 62 4.520 4.924 -0.404 1
1 609 . 4 1 1 A 62 62 ASN C C 62 174.400 175.099 -0.699 1
1 610 . 4 1 1 A 62 62 ASN CA C 62 54.000 52.320 1.680 1
1 611 . 4 1 1 A 62 62 ASN CB C 62 38.000 39.795 -1.795 1
1 612 . 4 1 1 A 62 62 ASN N N 62 117.000 113.245 3.755 1
1 613 . 4 1 1 A 63 63 ARG H H 63 7.430 7.806 -0.376 1
1 614 . 4 1 1 A 63 63 ARG HA H 63 4.810 4.831 -0.021 1
1 622 . 4 1 1 A 63 63 ARG C C 63 172.300 173.989 -1.689 1
1 623 . 4 1 1 A 63 63 ARG CA C 63 53.800 53.615 0.185 1
1 624 . 4 1 1 A 63 63 ARG CB C 63 31.300 30.973 0.327 1
1 627 . 4 1 1 A 63 63 ARG N N 63 119.200 119.297 -0.097 1
1 629 . 4 1 1 A 64 64 PRO HA H 64 4.350 4.573 -0.223 1
1 636 . 4 1 1 A 64 64 PRO C C 64 176.900 175.920 0.980 1
1 637 . 4 1 1 A 64 64 PRO CA C 64 64.200 62.872 1.328 1
1 638 . 4 1 1 A 64 64 PRO CB C 64 31.800 29.691 2.109 1
1 641 . 4 1 1 A 65 65 GLU H H 65 9.210 8.717 0.493 1
1 642 . 4 1 1 A 65 65 GLU HA H 65 4.280 4.806 -0.526 1
1 647 . 4 1 1 A 65 65 GLU C C 65 174.300 175.296 -0.996 1
1 648 . 4 1 1 A 65 65 GLU CA C 65 56.600 56.044 0.556 1
1 649 . 4 1 1 A 65 65 GLU CB C 65 28.200 31.334 -3.134 1
1 651 . 4 1 1 A 65 65 GLU N N 65 117.000 120.285 -3.285 1
1 652 . 4 1 1 A 66 66 ALA H H 66 8.040 7.141 0.899 1
1 653 . 4 1 1 A 66 66 ALA HA H 66 5.230 4.526 0.704 1
1 657 . 4 1 1 A 66 66 ALA C C 66 174.900 175.003 -0.103 1
1 658 . 4 1 1 A 66 66 ALA CA C 66 50.300 51.549 -1.249 1
1 659 . 4 1 1 A 66 66 ALA CB C 66 22.200 22.572 -0.372 1
1 660 . 4 1 1 A 66 66 ALA N N 66 124.800 120.791 4.009 1
1 661 . 4 1 1 A 67 67 LEU H H 67 8.710 8.361 0.349 1
1 662 . 4 1 1 A 67 67 LEU HA H 67 4.800 5.062 -0.262 1
1 672 . 4 1 1 A 67 67 LEU C C 67 177.200 175.677 1.523 1
1 673 . 4 1 1 A 67 67 LEU CA C 67 52.800 53.346 -0.546 1
1 674 . 4 1 1 A 67 67 LEU CB C 67 43.200 45.738 -2.538 1
1 678 . 4 1 1 A 67 67 LEU N N 67 120.400 118.801 1.599 1
1 679 . 4 1 1 A 68 68 LYS H H 68 9.180 8.913 0.267 1
1 680 . 4 1 1 A 68 68 LYS HA H 68 4.050 4.880 -0.830 1
1 689 . 4 1 1 A 68 68 LYS C C 68 176.900 175.569 1.331 1
1 690 . 4 1 1 A 68 68 LYS CA C 68 57.100 55.154 1.946 1
1 691 . 4 1 1 A 68 68 LYS CB C 68 32.600 34.447 -1.847 1
1 695 . 4 1 1 A 68 68 LYS N N 68 125.300 122.882 2.418 1
1 696 . 4 1 1 A 69 69 VAL H H 69 8.150 8.574 -0.424 1
1 697 . 4 1 1 A 69 69 VAL HA H 69 5.240 4.854 0.386 1
1 705 . 4 1 1 A 69 69 VAL C C 69 174.900 174.300 0.600 1
1 706 . 4 1 1 A 69 69 VAL CA C 69 59.900 60.295 -0.395 1
1 707 . 4 1 1 A 69 69 VAL CB C 69 34.700 35.957 -1.257 1
1 710 . 4 1 1 A 69 69 VAL N N 69 121.600 122.696 -1.096 1
1 711 . 4 1 1 A 70 70 SER H H 70 8.610 9.044 -0.434 1
1 712 . 4 1 1 A 70 70 SER HA H 70 5.210 4.981 0.229 1
1 715 . 4 1 1 A 70 70 SER C C 70 171.900 172.624 -0.724 1
1 716 . 4 1 1 A 70 70 SER CA C 70 56.600 56.753 -0.153 1
1 717 . 4 1 1 A 70 70 SER CB C 70 65.600 66.116 -0.516 1
1 718 . 4 1 1 A 70 70 SER N N 70 120.600 119.083 1.517 1
1 719 . 4 1 1 A 71 71 CYS H H 71 9.280 8.463 0.817 1
1 720 . 4 1 1 A 71 71 CYS HA H 71 4.130 4.524 -0.394 1
1 723 . 4 1 1 A 71 71 CYS C C 71 178.600 175.177 3.423 1
1 724 . 4 1 1 A 71 71 CYS CA C 71 61.600 58.153 3.447 1
1 725 . 4 1 1 A 71 71 CYS CB C 71 31.300 26.644 4.656 1
1 726 . 4 1 1 A 71 71 CYS N N 71 126.700 121.870 4.830 1
1 727 . 4 1 1 A 72 72 GLY H H 72 9.140 8.266 0.874 1
1 728 . 4 1 1 A 72 72 GLY HA2 H 72 3.760 3.874 -0.114 1
1 729 . 4 1 1 A 72 72 GLY HA3 H 72 3.670 3.878 -0.208 1
1 730 . 4 1 1 A 72 72 GLY C C 72 172.500 176.029 -3.529 1
1 731 . 4 1 1 A 72 72 GLY CA C 72 46.200 47.307 -1.107 1
1 732 . 4 1 1 A 72 72 GLY N N 72 120.100 113.822 6.278 1
1 733 . 4 1 1 A 73 73 LYS H H 73 9.090 8.066 1.024 1
1 734 . 4 1 1 A 73 73 LYS HA H 73 4.210 4.084 0.126 1
1 742 . 4 1 1 A 73 73 LYS C C 73 177.600 178.316 -0.716 1
1 743 . 4 1 1 A 73 73 LYS CA C 73 56.600 59.162 -2.562 1
1 744 . 4 1 1 A 73 73 LYS CB C 73 32.700 32.169 0.531 1
1 748 . 4 1 1 A 73 73 LYS N N 73 124.400 120.944 3.456 1
1 749 . 4 1 1 A 74 74 CYS H H 74 8.590 7.714 0.876 1
1 750 . 4 1 1 A 74 74 CYS HA H 74 4.910 4.593 0.317 1
1 753 . 4 1 1 A 74 74 CYS C C 74 177.400 175.546 1.854 1
1 754 . 4 1 1 A 74 74 CYS CA C 74 58.900 58.902 -0.002 1
1 755 . 4 1 1 A 74 74 CYS CB C 74 33.300 29.792 3.508 1
1 756 . 4 1 1 A 74 74 CYS N N 74 119.700 114.593 5.107 1
1 757 . 4 1 1 A 75 75 GLY H H 75 7.760 8.688 -0.928 1
1 758 . 4 1 1 A 75 75 GLY HA2 H 75 4.210 3.964 0.246 1
1 759 . 4 1 1 A 75 75 GLY HA3 H 75 3.750 3.964 -0.214 1
1 760 . 4 1 1 A 75 75 GLY C C 75 174.000 174.117 -0.117 1
1 761 . 4 1 1 A 75 75 GLY CA C 75 46.100 46.528 -0.428 1
1 762 . 4 1 1 A 75 75 GLY N N 75 113.000 111.070 1.930 1
1 763 . 4 1 1 A 76 76 ASN H H 76 9.050 7.771 1.279 1
1 764 . 4 1 1 A 76 76 ASN HA H 76 4.500 5.076 -0.576 1
1 769 . 4 1 1 A 76 76 ASN C C 76 178.700 174.185 4.515 1
1 770 . 4 1 1 A 76 76 ASN CA C 76 54.700 51.544 3.156 1
1 771 . 4 1 1 A 76 76 ASN CB C 76 39.800 40.587 -0.787 1
1 772 . 4 1 1 A 76 76 ASN N N 76 123.700 118.509 5.191 1
1 774 . 4 1 1 A 77 77 GLY H H 77 8.660 8.450 0.210 1
1 775 . 4 1 1 A 77 77 GLY HA2 H 77 3.970 4.150 -0.180 1
1 776 . 4 1 1 A 77 77 GLY HA3 H 77 3.710 4.152 -0.442 1
1 777 . 4 1 1 A 77 77 GLY C C 77 173.800 174.250 -0.450 1
1 778 . 4 1 1 A 77 77 GLY CA C 77 47.300 45.581 1.719 1
1 779 . 4 1 1 A 77 77 GLY N N 77 115.600 107.813 7.787 1
1 780 . 4 1 1 A 78 78 LEU H H 78 8.600 8.386 0.214 1
1 781 . 4 1 1 A 78 78 LEU HA H 78 4.810 4.424 0.386 1
1 791 . 4 1 1 A 78 78 LEU C C 78 173.800 176.380 -2.580 1
1 792 . 4 1 1 A 78 78 LEU CA C 78 54.900 53.773 1.127 1
1 793 . 4 1 1 A 78 78 LEU CB C 78 45.000 43.620 1.380 1
1 797 . 4 1 1 A 78 78 LEU N N 78 122.700 119.176 3.524 1
1 798 . 4 1 1 A 79 79 GLY H H 79 7.100 7.465 -0.365 1
1 799 . 4 1 1 A 79 79 GLY HA2 H 79 4.650 4.069 0.581 1
1 800 . 4 1 1 A 79 79 GLY HA3 H 79 3.020 4.131 -1.111 1
1 801 . 4 1 1 A 79 79 GLY C C 79 173.000 172.529 0.471 1
1 802 . 4 1 1 A 79 79 GLY CA C 79 44.900 43.995 0.905 1
1 803 . 4 1 1 A 79 79 GLY N N 79 102.400 107.762 -5.362 1
1 804 . 4 1 1 A 80 80 HIS H H 80 8.580 8.698 -0.118 1
1 805 . 4 1 1 A 80 80 HIS HA H 80 5.470 5.322 0.148 1
1 810 . 4 1 1 A 80 80 HIS C C 80 172.300 174.259 -1.959 1
1 811 . 4 1 1 A 80 80 HIS CA C 80 55.000 54.512 0.488 1
1 812 . 4 1 1 A 80 80 HIS CB C 80 34.500 34.440 0.060 1
1 813 . 4 1 1 A 80 80 HIS N N 80 122.400 119.885 2.515 1
1 814 . 4 1 1 A 81 81 GLU H H 81 9.260 9.442 -0.182 1
1 815 . 4 1 1 A 81 81 GLU HA H 81 4.100 4.960 -0.860 1
1 820 . 4 1 1 A 81 81 GLU C C 81 174.300 174.794 -0.494 1
1 821 . 4 1 1 A 81 81 GLU CA C 81 54.700 55.613 -0.913 1
1 822 . 4 1 1 A 81 81 GLU CB C 81 31.600 33.164 -1.564 1
1 824 . 4 1 1 A 81 81 GLU N N 81 123.700 120.888 2.812 1
1 825 . 4 1 1 A 82 82 PHE H H 82 9.150 9.222 -0.072 1
1 826 . 4 1 1 A 82 82 PHE HA H 82 5.080 4.791 0.289 1
1 830 . 4 1 1 A 82 82 PHE C C 82 174.300 174.561 -0.261 1
1 831 . 4 1 1 A 82 82 PHE CA C 82 56.700 56.764 -0.064 1
1 832 . 4 1 1 A 82 82 PHE CB C 82 38.800 38.992 -0.192 1
1 833 . 4 1 1 A 82 82 PHE N N 82 126.900 129.384 -2.484 1
1 834 . 4 1 1 A 83 83 LEU H H 83 8.280 8.044 0.236 1
1 835 . 4 1 1 A 83 83 LEU HA H 83 4.100 4.564 -0.464 1
1 845 . 4 1 1 A 83 83 LEU C C 83 176.200 175.086 1.114 1
1 846 . 4 1 1 A 83 83 LEU CA C 83 55.500 53.515 1.985 1
1 847 . 4 1 1 A 83 83 LEU CB C 83 42.000 45.212 -3.212 1
1 849 . 4 1 1 A 83 83 LEU N N 83 126.900 127.596 -0.696 1
1 850 . 4 1 1 A 84 84 ASN H H 84 9.260 8.695 0.565 1
1 851 . 4 1 1 A 84 84 ASN HA H 84 4.290 4.334 -0.044 1
1 856 . 4 1 1 A 84 84 ASN C C 84 174.400 174.249 0.151 1
1 857 . 4 1 1 A 84 84 ASN CA C 84 54.800 54.710 0.090 1
1 858 . 4 1 1 A 84 84 ASN CB C 84 37.900 36.883 1.017 1
1 859 . 4 1 1 A 84 84 ASN N N 84 116.900 119.431 -2.531 1
1 861 . 4 1 1 A 85 85 ASP H H 85 7.140 7.721 -0.581 1
1 862 . 4 1 1 A 85 85 ASP HA H 85 5.200 4.740 0.460 1
1 865 . 4 1 1 A 85 85 ASP C C 85 176.000 176.191 -0.191 1
1 866 . 4 1 1 A 85 85 ASP CA C 85 53.800 53.962 -0.162 1
1 867 . 4 1 1 A 85 85 ASP CB C 85 45.500 42.151 3.349 1
1 868 . 4 1 1 A 85 85 ASP N N 85 117.200 117.866 -0.666 1
1 869 . 4 1 1 A 86 86 GLY H H 86 8.230 7.942 0.288 1
1 870 . 4 1 1 A 86 86 GLY HA2 H 86 4.140 4.489 -0.349 1
1 871 . 4 1 1 A 86 86 GLY HA3 H 86 3.280 4.525 -1.245 1
1 872 . 4 1 1 A 86 86 GLY C C 86 171.700 173.811 -2.111 1
1 873 . 4 1 1 A 86 86 GLY CA C 86 44.600 46.563 -1.963 1
1 874 . 4 1 1 A 86 86 GLY N N 86 107.600 106.617 0.983 1
1 875 . 4 1 1 A 87 87 PRO HA H 87 4.190 4.428 -0.238 1
1 882 . 4 1 1 A 87 87 PRO C C 87 177.000 178.377 -1.377 1
1 883 . 4 1 1 A 87 87 PRO CA C 87 65.200 64.564 0.636 1
1 884 . 4 1 1 A 87 87 PRO CB C 87 31.700 31.973 -0.273 1
1 887 . 4 1 1 A 88 88 LYS H H 88 7.310 8.274 -0.964 1
1 888 . 4 1 1 A 88 88 LYS HA H 88 4.480 4.292 0.188 1
1 897 . 4 1 1 A 88 88 LYS C C 88 175.700 177.243 -1.543 1
1 898 . 4 1 1 A 88 88 LYS CA C 88 53.700 58.784 -5.084 1
1 899 . 4 1 1 A 88 88 LYS CB C 88 34.900 32.658 2.242 1
1 903 . 4 1 1 A 88 88 LYS N N 88 116.200 116.790 -0.590 1
1 904 . 4 1 1 A 89 89 ARG H H 89 8.320 7.636 0.684 1
1 905 . 4 1 1 A 89 89 ARG HA H 89 4.010 4.400 -0.390 1
1 912 . 4 1 1 A 89 89 ARG C C 89 177.500 177.431 0.069 1
1 913 . 4 1 1 A 89 89 ARG CA C 89 57.900 56.392 1.508 1
1 914 . 4 1 1 A 89 89 ARG CB C 89 32.100 31.067 1.033 1
1 917 . 4 1 1 A 89 89 ARG N N 89 122.200 118.872 3.328 1
1 919 . 4 1 1 A 90 90 GLY H H 90 8.950 8.538 0.412 1
1 920 . 4 1 1 A 90 90 GLY HA2 H 90 4.240 3.993 0.247 1
1 921 . 4 1 1 A 90 90 GLY HA3 H 90 3.850 3.996 -0.146 1
1 922 . 4 1 1 A 90 90 GLY C C 90 175.000 174.236 0.764 1
1 923 . 4 1 1 A 90 90 GLY CA C 90 45.100 45.330 -0.230 1
1 924 . 4 1 1 A 90 90 GLY N N 90 115.100 111.313 3.787 1
1 925 . 4 1 1 A 91 91 GLN H H 91 8.120 7.709 0.411 1
1 926 . 4 1 1 A 91 91 GLN HA H 91 4.580 4.332 0.248 1
1 933 . 4 1 1 A 91 91 GLN C C 91 177.000 176.035 0.965 1
1 934 . 4 1 1 A 91 91 GLN CA C 91 55.900 57.334 -1.434 1
1 935 . 4 1 1 A 91 91 GLN CB C 91 31.000 29.697 1.303 1
1 937 . 4 1 1 A 91 91 GLN N N 91 120.900 120.690 0.210 1
1 938 . 4 1 1 A 92 92 SER H H 92 9.210 8.755 0.455 1
1 939 . 4 1 1 A 92 92 SER HA H 92 4.820 5.250 -0.430 1
1 942 . 4 1 1 A 92 92 SER C C 92 171.600 172.304 -0.704 1
1 943 . 4 1 1 A 92 92 SER CA C 92 57.700 57.590 0.110 1
1 944 . 4 1 1 A 92 92 SER CB C 92 65.200 65.639 -0.439 1
1 945 . 4 1 1 A 92 92 SER N N 92 120.900 118.198 2.702 1
1 946 . 4 1 1 A 93 93 ARG H H 93 7.820 8.813 -0.993 1
1 947 . 4 1 1 A 93 93 ARG HA H 93 4.950 5.185 -0.235 1
1 952 . 4 1 1 A 93 93 ARG C C 93 176.400 173.645 2.755 1
1 953 . 4 1 1 A 93 93 ARG CA C 93 55.200 54.921 0.279 1
1 954 . 4 1 1 A 93 93 ARG CB C 93 34.600 34.160 0.440 1
1 957 . 4 1 1 A 93 93 ARG N N 93 117.800 123.939 -6.139 1
1 958 . 4 1 1 A 94 94 PHE H H 94 9.860 9.117 0.743 1
1 959 . 4 1 1 A 94 94 PHE HA H 94 4.780 5.434 -0.654 1
1 962 . 4 1 1 A 94 94 PHE C C 94 176.400 173.427 2.973 1
1 963 . 4 1 1 A 94 94 PHE CA C 94 58.300 55.930 2.370 1
1 964 . 4 1 1 A 94 94 PHE CB C 94 38.500 42.375 -3.875 1
1 965 . 4 1 1 A 94 94 PHE N N 94 127.100 122.571 4.529 1
1 966 . 4 1 1 A 95 95 CYS H H 95 9.190 8.340 0.850 1
1 967 . 4 1 1 A 95 95 CYS HA H 95 4.810 4.685 0.125 1
1 970 . 4 1 1 A 95 95 CYS CA C 95 57.300 56.392 0.908 1
1 971 . 4 1 1 A 95 95 CYS CB C 95 28.700 30.456 -1.756 1
1 972 . 4 1 1 A 95 95 CYS N N 95 128.200 126.546 1.654 1
1 973 . 4 1 1 A 96 96 ILE H H 96 7.510 8.617 -1.107 1
1 974 . 4 1 1 A 96 96 ILE HA H 96 4.620 5.019 -0.399 1
1 983 . 4 1 1 A 96 96 ILE C C 96 173.700 175.206 -1.506 1
1 984 . 4 1 1 A 96 96 ILE CA C 96 55.800 58.673 -2.873 1
1 985 . 4 1 1 A 96 96 ILE CB C 96 39.900 41.829 -1.929 1
1 989 . 4 1 1 A 96 96 ILE N N 96 130.700 128.146 2.554 1
1 990 . 4 1 1 A 97 97 PHE H H 97 8.040 8.941 -0.901 1
1 991 . 4 1 1 A 97 97 PHE HA H 97 4.920 4.756 0.164 1
1 994 . 4 1 1 A 97 97 PHE C C 97 178.800 176.997 1.803 1
1 995 . 4 1 1 A 97 97 PHE CA C 97 57.500 58.050 -0.550 1
1 996 . 4 1 1 A 97 97 PHE CB C 97 38.400 39.730 -1.330 1
1 997 . 4 1 1 A 97 97 PHE N N 97 122.400 125.336 -2.936 1
1 998 . 4 1 1 A 98 98 SER HA H 98 4.380 4.503 -0.123 1
1 1001 . 4 1 1 A 98 98 SER C C 98 176.400 176.509 -0.109 1
1 1002 . 4 1 1 A 98 98 SER CA C 98 64.900 60.374 4.526 1
1 1003 . 4 1 1 A 98 98 SER CB C 98 63.600 63.673 -0.073 1
1 1004 . 4 1 1 A 99 99 SER H H 99 9.360 8.076 1.284 1
1 1005 . 4 1 1 A 99 99 SER HA H 99 4.300 4.284 0.016 1
1 1008 . 4 1 1 A 99 99 SER C C 99 175.800 176.826 -1.026 1
1 1009 . 4 1 1 A 99 99 SER CA C 99 60.200 61.196 -0.996 1
1 1010 . 4 1 1 A 99 99 SER CB C 99 62.700 63.162 -0.462 1
1 1011 . 4 1 1 A 99 99 SER N N 99 114.100 117.510 -3.410 1
1 1012 . 4 1 1 A 100 100 SER H H 100 8.150 8.026 0.124 1
1 1013 . 4 1 1 A 100 100 SER HA H 100 4.630 4.481 0.149 1
1 1016 . 4 1 1 A 100 100 SER C C 100 173.500 174.304 -0.804 1
1 1017 . 4 1 1 A 100 100 SER CA C 100 60.400 60.380 0.020 1
1 1018 . 4 1 1 A 100 100 SER CB C 100 63.600 64.485 -0.885 1
1 1019 . 4 1 1 A 100 100 SER N N 100 118.700 114.672 4.028 1
1 1020 . 4 1 1 A 101 101 LEU H H 101 8.100 7.835 0.265 1
1 1021 . 4 1 1 A 101 101 LEU HA H 101 5.570 4.708 0.862 1
1 1031 . 4 1 1 A 101 101 LEU C C 101 176.000 174.425 1.575 1
1 1032 . 4 1 1 A 101 101 LEU CA C 101 53.400 54.273 -0.873 1
1 1033 . 4 1 1 A 101 101 LEU CB C 101 46.700 43.909 2.791 1
1 1036 . 4 1 1 A 101 101 LEU N N 101 122.000 117.051 4.949 1
1 1037 . 4 1 1 A 102 102 LYS H H 102 8.950 8.198 0.752 1
1 1038 . 4 1 1 A 102 102 LYS HA H 102 4.710 5.048 -0.338 1
1 1045 . 4 1 1 A 102 102 LYS C C 102 174.400 174.685 -0.285 1
1 1046 . 4 1 1 A 102 102 LYS CA C 102 55.400 54.396 1.004 1
1 1047 . 4 1 1 A 102 102 LYS CB C 102 36.500 37.027 -0.527 1
1 1051 . 4 1 1 A 102 102 LYS N N 102 119.500 118.341 1.159 1
1 1052 . 4 1 1 A 103 103 PHE H H 103 9.010 9.013 -0.003 1
1 1053 . 4 1 1 A 103 103 PHE HA H 103 4.750 5.356 -0.606 1
1 1056 . 4 1 1 A 103 103 PHE C C 103 173.900 173.560 0.340 1
1 1057 . 4 1 1 A 103 103 PHE CA C 103 57.100 55.629 1.471 1
1 1058 . 4 1 1 A 103 103 PHE CB C 103 41.300 42.228 -0.928 1
1 1059 . 4 1 1 A 103 103 PHE N N 103 124.500 122.490 2.010 1
1 1060 . 4 1 1 A 104 104 VAL H H 104 8.550 8.521 0.029 1
1 1061 . 4 1 1 A 104 104 VAL HA H 104 4.140 4.695 -0.555 1
1 1069 . 4 1 1 A 104 104 VAL C C 104 172.800 173.780 -0.980 1
1 1070 . 4 1 1 A 104 104 VAL CA C 104 58.800 58.612 0.188 1
1 1071 . 4 1 1 A 104 104 VAL CB C 104 32.300 32.866 -0.566 1
1 1074 . 4 1 1 A 104 104 VAL N N 104 132.000 128.101 3.899 1
1 1075 . 4 1 1 A 105 105 PRO HA H 105 4.110 4.328 -0.218 1
1 1082 . 4 1 1 A 105 105 PRO C C 105 176.400 176.855 -0.455 1
1 1083 . 4 1 1 A 105 105 PRO CA C 105 62.400 62.236 0.164 1
1 1084 . 4 1 1 A 105 105 PRO CB C 105 32.400 32.379 0.021 1
1 1087 . 4 1 1 A 106 106 LYS H H 106 7.900 8.536 -0.636 1
1 1088 . 4 1 1 A 106 106 LYS HA H 106 4.170 4.223 -0.053 1
1 1096 . 4 1 1 A 106 106 LYS C C 106 176.900 177.372 -0.472 1
1 1097 . 4 1 1 A 106 106 LYS CA C 106 56.700 55.948 0.752 1
1 1098 . 4 1 1 A 106 106 LYS CB C 106 33.500 33.313 0.187 1
1 1102 . 4 1 1 A 106 106 LYS N N 106 123.200 121.497 1.703 1
1 1103 . 4 1 1 A 107 107 GLY H H 107 8.740 8.979 -0.239 1
1 1104 . 4 1 1 A 107 107 GLY HA2 H 107 3.930 3.894 0.036 1
1 1105 . 4 1 1 A 107 107 GLY HA3 H 107 3.960 3.895 0.065 1
1 1106 . 4 1 1 A 107 107 GLY C C 107 174.000 174.575 -0.575 1
1 1107 . 4 1 1 A 107 107 GLY CA C 107 45.000 46.658 -1.658 1
1 1108 . 4 1 1 A 107 107 GLY N N 107 113.500 110.480 3.020 1
1 1109 . 4 1 1 A 108 108 LYS H H 108 8.240 8.073 0.167 1
1 1110 . 4 1 1 A 108 108 LYS HA H 108 4.290 4.249 0.041 1
1 1118 . 4 1 1 A 108 108 LYS C C 108 176.700 178.463 -1.763 1
1 1119 . 4 1 1 A 108 108 LYS CA C 108 56.000 58.141 -2.141 1
1 1120 . 4 1 1 A 108 108 LYS CB C 108 32.700 33.031 -0.331 1
1 1124 . 4 1 1 A 108 108 LYS N N 108 121.500 118.746 2.754 1
1 1125 . 4 1 1 A 109 109 GLU H H 109 8.650 8.025 0.625 1
1 1126 . 4 1 1 A 109 109 GLU HA H 109 4.180 4.088 0.092 1
1 1131 . 4 1 1 A 109 109 GLU C C 109 176.500 176.083 0.417 1
1 1132 . 4 1 1 A 109 109 GLU CA C 109 56.600 59.305 -2.705 1
1 1133 . 4 1 1 A 109 109 GLU CB C 109 29.900 29.462 0.438 1
1 1135 . 4 1 1 A 109 109 GLU N N 109 122.800 119.359 3.441 1
1 1136 . 4 1 1 A 110 110 ALA H H 110 8.400 7.832 0.568 1
1 1137 . 4 1 1 A 110 110 ALA HA H 110 4.190 4.140 0.050 1
1 1141 . 4 1 1 A 110 110 ALA CA C 110 52.500 53.851 -1.351 1
1 1142 . 4 1 1 A 110 110 ALA CB C 110 19.000 18.305 0.695 1
1 1143 . 4 1 1 A 110 110 ALA N N 110 126.100 121.850 4.250 1
1 1144 . 4 1 1 A 111 111 ALA H H 111 8.240 8.881 -0.641 1
1 1145 . 4 1 1 A 111 111 ALA HA H 111 4.220 3.917 0.303 1
1 1149 . 4 1 1 A 111 111 ALA C C 111 177.800 177.056 0.744 1
1 1150 . 4 1 1 A 111 111 ALA CA C 111 52.600 54.329 -1.729 1
1 1151 . 4 1 1 A 111 111 ALA CB C 111 19.000 18.088 0.912 1
1 1152 . 4 1 1 A 111 111 ALA N N 111 123.800 121.528 2.272 1
1 1153 . 4 1 1 A 112 112 ALA H H 112 8.220 8.777 -0.557 1
1 1154 . 4 1 1 A 112 112 ALA HA H 112 4.250 4.078 0.172 1
1 1158 . 4 1 1 A 112 112 ALA C C 112 178.100 176.943 1.157 1
1 1159 . 4 1 1 A 112 112 ALA CA C 112 52.600 52.987 -0.387 1
1 1160 . 4 1 1 A 112 112 ALA CB C 112 19.100 18.040 1.060 1
1 1161 . 4 1 1 A 112 112 ALA N N 112 123.600 119.536 4.064 1
1 1162 . 4 1 1 A 113 113 SER H H 113 8.200 8.155 0.045 1
1 1163 . 4 1 1 A 113 113 SER HA H 113 4.360 4.873 -0.513 1
1 1166 . 4 1 1 A 113 113 SER C C 113 174.800 174.230 0.570 1
1 1167 . 4 1 1 A 113 113 SER CA C 113 58.300 56.960 1.340 1
1 1168 . 4 1 1 A 113 113 SER CB C 113 63.500 62.968 0.532 1
1 1169 . 4 1 1 A 113 113 SER N N 113 115.400 117.316 -1.916 1
1 1170 . 4 1 1 A 114 114 GLN H H 114 8.320 8.636 -0.316 1
1 1171 . 4 1 1 A 114 114 GLN HA H 114 4.290 4.682 -0.392 1
1 1178 . 4 1 1 A 114 114 GLN C C 114 176.500 175.175 1.325 1
1 1179 . 4 1 1 A 114 114 GLN CA C 114 55.900 55.468 0.432 1
1 1180 . 4 1 1 A 114 114 GLN CB C 114 29.300 31.064 -1.764 1
1 1182 . 4 1 1 A 114 114 GLN N N 114 122.500 122.040 0.460 1
1 1183 . 4 1 1 A 115 115 GLY H H 115 8.370 8.387 -0.017 1
1 1184 . 4 1 1 A 115 115 GLY HA2 H 115 3.850 4.093 -0.243 1
1 1185 . 4 1 1 A 115 115 GLY HA3 H 115 3.850 4.121 -0.271 1
1 1186 . 4 1 1 A 115 115 GLY C C 115 173.900 171.931 1.969 1
1 1187 . 4 1 1 A 115 115 GLY CA C 115 45.400 45.896 -0.496 1
1 1188 . 4 1 1 A 115 115 GLY N N 115 110.000 109.026 0.974 1
1 1189 . 4 1 1 A 116 116 HIS H H 116 8.290 8.813 -0.523 1
1 1190 . 4 1 1 A 116 116 HIS HA H 116 4.620 5.588 -0.968 1
1 1195 . 4 1 1 A 116 116 HIS C C 116 174.600 172.802 1.798 1
1 1196 . 4 1 1 A 116 116 HIS CA C 116 55.500 53.779 1.721 1
1 1197 . 4 1 1 A 116 116 HIS CB C 116 29.100 33.283 -4.183 1
1 1198 . 4 1 1 A 116 116 HIS N N 116 119.100 120.583 -1.483 1
1 1199 . 4 1 1 A 117 117 LEU H H 117 8.220 8.500 -0.280 1
1 1200 . 4 1 1 A 117 117 LEU HA H 117 4.240 4.653 -0.413 1
1 1210 . 4 1 1 A 117 117 LEU C C 117 174.600 176.229 -1.629 1
1 1211 . 4 1 1 A 117 117 LEU CA C 117 55.100 53.864 1.236 1
1 1212 . 4 1 1 A 117 117 LEU CB C 117 42.300 43.125 -0.825 1
1 1216 . 4 1 1 A 117 117 LEU N N 117 124.100 121.165 2.935 1
1 1217 . 4 1 1 A 118 118 GLU H H 118 8.350 9.024 -0.674 1
1 1218 . 4 1 1 A 118 118 GLU HA H 118 4.160 5.149 -0.989 1
1 1223 . 4 1 1 A 118 118 GLU C C 118 176.000 174.784 1.216 1
1 1224 . 4 1 1 A 118 118 GLU CA C 118 56.300 54.292 2.008 1
1 1225 . 4 1 1 A 118 118 GLU CB C 118 30.300 33.909 -3.609 1
1 1227 . 4 1 1 A 118 118 GLU N N 118 122.300 117.813 4.487 1
1 1228 . 4 1 1 A 119 119 HIS H H 119 8.410 8.953 -0.543 1
1 1229 . 4 1 1 A 119 119 HIS HA H 119 4.570 5.279 -0.709 1
1 1232 . 4 1 1 A 119 119 HIS C C 119 174.500 171.856 2.644 1
1 1233 . 4 1 1 A 119 119 HIS CA C 119 55.400 53.249 2.151 1
1 1234 . 4 1 1 A 119 119 HIS CB C 119 29.400 32.704 -3.304 1
1 1235 . 4 1 1 A 119 119 HIS N N 119 120.500 115.728 4.772 1
1 1236 . 4 1 1 A 120 120 HIS H H 120 8.530 8.569 -0.039 1
1 1237 . 4 1 1 A 120 120 HIS HA H 120 4.640 4.632 0.008 1
1 1240 . 4 1 1 A 120 120 HIS C C 120 174.400 173.561 0.839 1
1 1241 . 4 1 1 A 120 120 HIS CA C 120 57.900 54.142 3.758 1
1 1242 . 4 1 1 A 120 120 HIS CB C 120 29.400 34.571 -5.171 1
1 1 . 5 1 1 A 3 3 PHE HA H 3 4.650 5.268 -0.618 1
1 4 . 5 1 1 A 3 3 PHE C C 3 174.500 172.948 1.552 1
1 5 . 5 1 1 A 3 3 PHE CA C 3 57.800 56.491 1.309 1
1 6 . 5 1 1 A 3 3 PHE CB C 3 39.600 40.979 -1.379 1
1 7 . 5 1 1 A 4 4 CYS H H 4 8.270 9.078 -0.808 1
1 8 . 5 1 1 A 4 4 CYS HA H 4 4.380 5.149 -0.769 1
1 11 . 5 1 1 A 4 4 CYS C C 4 173.800 172.777 1.023 1
1 12 . 5 1 1 A 4 4 CYS CA C 4 58.100 58.389 -0.289 1
1 13 . 5 1 1 A 4 4 CYS CB C 4 28.100 32.474 -4.374 1
1 14 . 5 1 1 A 4 4 CYS N N 4 122.600 118.568 4.032 1
1 15 . 5 1 1 A 5 5 SER H H 5 8.250 8.765 -0.515 1
1 16 . 5 1 1 A 5 5 SER HA H 5 4.270 5.101 -0.831 1
1 19 . 5 1 1 A 5 5 SER C C 5 173.700 172.761 0.939 1
1 20 . 5 1 1 A 5 5 SER CA C 5 58.300 58.308 -0.008 1
1 21 . 5 1 1 A 5 5 SER CB C 5 63.700 67.437 -3.737 1
1 22 . 5 1 1 A 5 5 SER N N 5 119.600 118.286 1.314 1
1 23 . 5 1 1 A 6 6 PHE H H 6 8.010 9.223 -1.213 1
1 24 . 5 1 1 A 6 6 PHE HA H 6 4.560 5.404 -0.844 1
1 28 . 5 1 1 A 6 6 PHE C C 6 173.700 175.031 -1.331 1
1 29 . 5 1 1 A 6 6 PHE CA C 6 57.600 56.160 1.440 1
1 30 . 5 1 1 A 6 6 PHE CB C 6 39.700 43.902 -4.202 1
1 31 . 5 1 1 A 6 6 PHE N N 6 122.500 123.293 -0.793 1
1 32 . 5 1 1 A 7 7 PHE H H 7 8.230 9.028 -0.798 1
1 33 . 5 1 1 A 7 7 PHE HA H 7 4.530 5.093 -0.563 1
1 36 . 5 1 1 A 7 7 PHE C C 7 175.800 175.087 0.713 1
1 37 . 5 1 1 A 7 7 PHE CA C 7 57.600 56.312 1.288 1
1 38 . 5 1 1 A 7 7 PHE CB C 7 39.700 42.514 -2.814 1
1 39 . 5 1 1 A 7 7 PHE N N 7 123.000 119.710 3.290 1
1 40 . 5 1 1 A 8 8 GLY H H 8 7.870 8.791 -0.921 1
1 41 . 5 1 1 A 8 8 GLY HA2 H 8 3.800 4.310 -0.510 1
1 42 . 5 1 1 A 8 8 GLY HA3 H 8 3.750 4.379 -0.629 1
1 43 . 5 1 1 A 8 8 GLY C C 8 174.300 175.688 -1.388 1
1 44 . 5 1 1 A 8 8 GLY CA C 8 45.300 46.570 -1.270 1
1 45 . 5 1 1 A 8 8 GLY N N 8 111.200 109.797 1.403 1
1 46 . 5 1 1 A 9 9 GLY H H 9 7.930 8.285 -0.355 1
1 47 . 5 1 1 A 9 9 GLY HA2 H 9 3.920 3.924 -0.004 1
1 48 . 5 1 1 A 9 9 GLY HA3 H 9 3.850 3.957 -0.107 1
1 49 . 5 1 1 A 9 9 GLY C C 9 175.200 173.840 1.360 1
1 50 . 5 1 1 A 9 9 GLY CA C 9 45.100 45.256 -0.156 1
1 51 . 5 1 1 A 9 9 GLY N N 9 108.400 106.186 2.214 1
1 52 . 5 1 1 A 10 10 GLU H H 10 8.400 7.919 0.481 1
1 53 . 5 1 1 A 10 10 GLU HA H 10 4.360 4.920 -0.560 1
1 58 . 5 1 1 A 10 10 GLU C C 10 178.400 176.882 1.518 1
1 59 . 5 1 1 A 10 10 GLU CA C 10 54.700 54.863 -0.163 1
1 60 . 5 1 1 A 10 10 GLU CB C 10 36.700 32.715 3.985 1
1 62 . 5 1 1 A 10 10 GLU N N 10 122.600 119.409 3.191 1
1 63 . 5 1 1 A 11 11 VAL H H 11 7.940 8.732 -0.792 1
1 64 . 5 1 1 A 11 11 VAL HA H 11 3.680 4.404 -0.724 1
1 72 . 5 1 1 A 11 11 VAL C C 11 176.600 176.294 0.306 1
1 73 . 5 1 1 A 11 11 VAL CA C 11 63.800 62.303 1.497 1
1 74 . 5 1 1 A 11 11 VAL CB C 11 31.200 32.307 -1.107 1
1 77 . 5 1 1 A 11 11 VAL N N 11 120.300 123.669 -3.369 1
1 78 . 5 1 1 A 12 12 PHE H H 12 7.730 8.651 -0.921 1
1 79 . 5 1 1 A 12 12 PHE HA H 12 5.200 4.751 0.449 1
1 83 . 5 1 1 A 12 12 PHE C C 12 177.100 176.805 0.295 1
1 84 . 5 1 1 A 12 12 PHE CA C 12 55.700 57.903 -2.203 1
1 85 . 5 1 1 A 12 12 PHE CB C 12 38.200 39.641 -1.441 1
1 86 . 5 1 1 A 12 12 PHE N N 12 113.700 120.102 -6.402 1
1 87 . 5 1 1 A 13 13 GLN H H 13 8.080 8.394 -0.314 1
1 88 . 5 1 1 A 13 13 GLN HA H 13 3.270 3.611 -0.341 1
1 95 . 5 1 1 A 13 13 GLN C C 13 175.400 176.273 -0.873 1
1 96 . 5 1 1 A 13 13 GLN CA C 13 62.100 58.278 3.822 1
1 97 . 5 1 1 A 13 13 GLN CB C 13 27.100 28.047 -0.947 1
1 99 . 5 1 1 A 13 13 GLN N N 13 126.400 120.720 5.680 1
1 100 . 5 1 1 A 14 14 ASN H H 14 8.580 8.340 0.240 1
1 101 . 5 1 1 A 14 14 ASN HA H 14 5.010 4.990 0.020 1
1 106 . 5 1 1 A 14 14 ASN C C 14 173.000 174.575 -1.575 1
1 107 . 5 1 1 A 14 14 ASN CA C 14 51.500 54.709 -3.209 1
1 108 . 5 1 1 A 14 14 ASN CB C 14 37.900 41.471 -3.571 1
1 109 . 5 1 1 A 14 14 ASN N N 14 115.900 116.757 -0.857 1
1 111 . 5 1 1 A 15 15 HIS H H 15 6.070 8.072 -2.002 1
1 112 . 5 1 1 A 15 15 HIS HA H 15 4.370 4.803 -0.433 1
1 117 . 5 1 1 A 15 15 HIS C C 15 174.400 175.479 -1.079 1
1 118 . 5 1 1 A 15 15 HIS CA C 15 56.600 55.511 1.089 1
1 119 . 5 1 1 A 15 15 HIS CB C 15 33.400 29.422 3.978 1
1 120 . 5 1 1 A 15 15 HIS N N 15 120.500 117.241 3.259 1
1 121 . 5 1 1 A 16 16 PHE H H 16 8.880 9.204 -0.324 1
1 122 . 5 1 1 A 16 16 PHE HA H 16 4.870 4.629 0.241 1
1 125 . 5 1 1 A 16 16 PHE C C 16 174.300 175.218 -0.918 1
1 126 . 5 1 1 A 16 16 PHE CA C 16 57.100 59.545 -2.445 1
1 127 . 5 1 1 A 16 16 PHE CB C 16 39.700 40.151 -0.451 1
1 128 . 5 1 1 A 16 16 PHE N N 16 127.200 126.074 1.126 1
1 129 . 5 1 1 A 17 17 GLU H H 17 5.780 7.755 -1.975 1
1 130 . 5 1 1 A 17 17 GLU HA H 17 4.500 4.874 -0.374 1
1 135 . 5 1 1 A 17 17 GLU C C 17 174.300 174.618 -0.318 1
1 136 . 5 1 1 A 17 17 GLU CA C 17 53.500 53.995 -0.495 1
1 137 . 5 1 1 A 17 17 GLU CB C 17 30.700 32.008 -1.308 1
1 139 . 5 1 1 A 17 17 GLU N N 17 119.900 116.082 3.818 1
1 140 . 5 1 1 A 18 18 PRO HA H 18 4.630 4.532 0.098 1
1 147 . 5 1 1 A 18 18 PRO C C 18 178.100 175.806 2.294 1
1 148 . 5 1 1 A 18 18 PRO CA C 18 62.700 62.656 0.044 1
1 149 . 5 1 1 A 18 18 PRO CB C 18 31.400 33.262 -1.862 1
1 152 . 5 1 1 A 19 19 GLY H H 19 8.820 8.272 0.548 1
1 153 . 5 1 1 A 19 19 GLY HA2 H 19 4.500 3.721 0.779 1
1 154 . 5 1 1 A 19 19 GLY HA3 H 19 3.630 3.959 -0.329 1
1 155 . 5 1 1 A 19 19 GLY C C 19 171.000 171.381 -0.381 1
1 156 . 5 1 1 A 19 19 GLY CA C 19 46.200 45.258 0.942 1
1 157 . 5 1 1 A 19 19 GLY N N 19 111.300 106.328 4.972 1
1 158 . 5 1 1 A 20 20 VAL H H 20 8.070 7.906 0.164 1
1 159 . 5 1 1 A 20 20 VAL HA H 20 4.750 5.156 -0.406 1
1 167 . 5 1 1 A 20 20 VAL C C 20 172.300 174.211 -1.911 1
1 168 . 5 1 1 A 20 20 VAL CA C 20 60.200 60.222 -0.022 1
1 169 . 5 1 1 A 20 20 VAL CB C 20 36.100 35.914 0.186 1
1 172 . 5 1 1 A 20 20 VAL N N 20 120.700 118.930 1.770 1
1 173 . 5 1 1 A 21 21 TYR H H 21 9.560 8.688 0.872 1
1 174 . 5 1 1 A 21 21 TYR HA H 21 5.230 5.535 -0.305 1
1 177 . 5 1 1 A 21 21 TYR C C 21 175.600 175.324 0.276 1
1 178 . 5 1 1 A 21 21 TYR CA C 21 56.800 56.316 0.484 1
1 179 . 5 1 1 A 21 21 TYR CB C 21 39.200 41.365 -2.165 1
1 180 . 5 1 1 A 21 21 TYR N N 21 123.200 122.252 0.948 1
1 181 . 5 1 1 A 22 22 VAL H H 22 9.400 8.750 0.650 1
1 182 . 5 1 1 A 22 22 VAL HA H 22 4.950 5.291 -0.341 1
1 190 . 5 1 1 A 22 22 VAL C C 22 174.000 174.580 -0.580 1
1 191 . 5 1 1 A 22 22 VAL CA C 22 57.100 59.075 -1.975 1
1 192 . 5 1 1 A 22 22 VAL CB C 22 33.900 35.583 -1.683 1
1 195 . 5 1 1 A 22 22 VAL N N 22 119.100 116.200 2.900 1
1 196 . 5 1 1 A 23 23 CYS H H 23 9.020 8.769 0.251 1
1 197 . 5 1 1 A 23 23 CYS HA H 23 4.260 4.642 -0.382 1
1 200 . 5 1 1 A 23 23 CYS C C 23 178.700 175.786 2.914 1
1 201 . 5 1 1 A 23 23 CYS CA C 23 60.600 59.547 1.053 1
1 202 . 5 1 1 A 23 23 CYS CB C 23 31.700 28.873 2.827 1
1 203 . 5 1 1 A 23 23 CYS N N 23 123.800 122.263 1.537 1
1 204 . 5 1 1 A 24 24 ALA H H 24 8.760 9.162 -0.402 1
1 205 . 5 1 1 A 24 24 ALA HA H 24 3.840 4.126 -0.286 1
1 209 . 5 1 1 A 24 24 ALA C C 24 177.500 179.921 -2.421 1
1 210 . 5 1 1 A 24 24 ALA CA C 24 55.000 55.386 -0.386 1
1 211 . 5 1 1 A 24 24 ALA CB C 24 18.700 18.510 0.190 1
1 212 . 5 1 1 A 24 24 ALA N N 24 131.900 128.936 2.964 1
1 213 . 5 1 1 A 25 25 LYS H H 25 9.200 7.795 1.405 1
1 214 . 5 1 1 A 25 25 LYS HA H 25 4.380 4.303 0.077 1
1 222 . 5 1 1 A 25 25 LYS C C 25 178.100 178.723 -0.623 1
1 223 . 5 1 1 A 25 25 LYS CA C 25 57.900 58.674 -0.774 1
1 224 . 5 1 1 A 25 25 LYS CB C 25 33.500 33.299 0.201 1
1 228 . 5 1 1 A 25 25 LYS N N 25 120.000 117.634 2.366 1
1 229 . 5 1 1 A 26 26 CYS H H 26 8.730 8.064 0.666 1
1 230 . 5 1 1 A 26 26 CYS HA H 26 5.000 4.289 0.711 1
1 233 . 5 1 1 A 26 26 CYS C C 26 177.000 175.165 1.835 1
1 234 . 5 1 1 A 26 26 CYS CA C 26 59.400 62.236 -2.836 1
1 235 . 5 1 1 A 26 26 CYS CB C 26 32.900 27.439 5.461 1
1 236 . 5 1 1 A 26 26 CYS N N 26 120.900 118.455 2.445 1
1 237 . 5 1 1 A 27 27 SER H H 27 8.170 8.190 -0.020 1
1 238 . 5 1 1 A 27 27 SER HA H 27 4.140 4.463 -0.323 1
1 241 . 5 1 1 A 27 27 SER C C 27 174.800 173.957 0.843 1
1 242 . 5 1 1 A 27 27 SER CA C 27 60.900 59.401 1.499 1
1 243 . 5 1 1 A 27 27 SER CB C 27 61.600 61.100 0.500 1
1 244 . 5 1 1 A 27 27 SER N N 27 115.800 115.521 0.279 1
1 245 . 5 1 1 A 28 28 TYR H H 28 9.010 7.966 1.044 1
1 246 . 5 1 1 A 28 28 TYR HA H 28 4.420 4.761 -0.341 1
1 249 . 5 1 1 A 28 28 TYR C C 28 176.600 174.990 1.610 1
1 250 . 5 1 1 A 28 28 TYR CA C 28 59.300 57.376 1.924 1
1 251 . 5 1 1 A 28 28 TYR CB C 28 39.600 39.058 0.542 1
1 252 . 5 1 1 A 28 28 TYR N N 28 127.100 123.155 3.945 1
1 253 . 5 1 1 A 29 29 GLU H H 29 7.730 8.798 -1.068 1
1 254 . 5 1 1 A 29 29 GLU HA H 29 3.670 4.991 -1.321 1
1 259 . 5 1 1 A 29 29 GLU C C 29 174.900 176.608 -1.708 1
1 260 . 5 1 1 A 29 29 GLU CA C 29 58.700 56.895 1.805 1
1 261 . 5 1 1 A 29 29 GLU CB C 29 29.800 30.120 -0.320 1
1 263 . 5 1 1 A 29 29 GLU N N 29 124.500 126.821 -2.321 1
1 264 . 5 1 1 A 30 30 LEU H H 30 7.940 8.915 -0.975 1
1 265 . 5 1 1 A 30 30 LEU HA H 30 4.140 5.155 -1.015 1
1 274 . 5 1 1 A 30 30 LEU C C 30 175.400 175.584 -0.184 1
1 275 . 5 1 1 A 30 30 LEU CA C 30 56.200 53.572 2.628 1
1 276 . 5 1 1 A 30 30 LEU CB C 30 46.700 45.330 1.370 1
1 277 . 5 1 1 A 30 30 LEU N N 30 121.800 121.566 0.234 1
1 278 . 5 1 1 A 31 31 PHE H H 31 7.880 8.786 -0.906 1
1 279 . 5 1 1 A 31 31 PHE HA H 31 4.720 4.732 -0.012 1
1 282 . 5 1 1 A 31 31 PHE C C 31 174.600 174.260 0.340 1
1 283 . 5 1 1 A 31 31 PHE CA C 31 56.600 58.148 -1.548 1
1 284 . 5 1 1 A 31 31 PHE CB C 31 45.300 42.075 3.225 1
1 285 . 5 1 1 A 31 31 PHE N N 31 113.300 122.401 -9.101 1
1 286 . 5 1 1 A 32 32 SER H H 32 10.030 8.377 1.653 1
1 287 . 5 1 1 A 32 32 SER HA H 32 4.860 4.586 0.274 1
1 290 . 5 1 1 A 32 32 SER CA C 32 57.000 57.433 -0.433 1
1 291 . 5 1 1 A 32 32 SER CB C 32 63.700 64.950 -1.250 1
1 292 . 5 1 1 A 32 32 SER N N 32 118.700 119.994 -1.294 1
1 293 . 5 1 1 A 33 33 SER H H 33 8.990 8.908 0.082 1
1 294 . 5 1 1 A 33 33 SER HA H 33 4.840 4.375 0.465 1
1 297 . 5 1 1 A 33 33 SER C C 33 177.300 176.159 1.141 1
1 298 . 5 1 1 A 33 33 SER CA C 33 63.700 60.719 2.981 1
1 299 . 5 1 1 A 33 33 SER CB C 33 63.700 63.442 0.258 1
1 300 . 5 1 1 A 33 33 SER N N 33 123.100 117.475 5.625 1
1 301 . 5 1 1 A 34 34 HIS HA H 34 4.710 4.252 0.458 1
1 304 . 5 1 1 A 34 34 HIS C C 34 175.800 177.168 -1.368 1
1 305 . 5 1 1 A 34 34 HIS CA C 34 57.900 58.300 -0.400 1
1 306 . 5 1 1 A 34 34 HIS CB C 34 28.600 30.450 -1.850 1
1 307 . 5 1 1 A 35 35 SER H H 35 7.960 7.584 0.376 1
1 308 . 5 1 1 A 35 35 SER HA H 35 4.820 4.037 0.783 1
1 311 . 5 1 1 A 35 35 SER C C 35 173.200 174.539 -1.339 1
1 312 . 5 1 1 A 35 35 SER CA C 35 58.100 60.828 -2.728 1
1 313 . 5 1 1 A 35 35 SER CB C 35 65.300 62.306 2.994 1
1 314 . 5 1 1 A 35 35 SER N N 35 114.500 111.602 2.898 1
1 315 . 5 1 1 A 36 36 LYS H H 36 7.630 7.467 0.163 1
1 316 . 5 1 1 A 36 36 LYS HA H 36 4.890 4.775 0.115 1
1 322 . 5 1 1 A 36 36 LYS C C 36 176.100 175.301 0.799 1
1 323 . 5 1 1 A 36 36 LYS CA C 36 55.400 54.921 0.479 1
1 324 . 5 1 1 A 36 36 LYS CB C 36 35.400 34.792 0.608 1
1 328 . 5 1 1 A 36 36 LYS N N 36 126.900 119.119 7.781 1
1 329 . 5 1 1 A 37 37 TYR H H 37 8.440 8.644 -0.204 1
1 330 . 5 1 1 A 37 37 TYR HA H 37 5.100 5.402 -0.302 1
1 333 . 5 1 1 A 37 37 TYR C C 37 172.800 172.670 0.130 1
1 334 . 5 1 1 A 37 37 TYR CA C 37 55.400 55.563 -0.163 1
1 335 . 5 1 1 A 37 37 TYR CB C 37 41.000 41.377 -0.377 1
1 336 . 5 1 1 A 37 37 TYR N N 37 124.200 117.179 7.021 1
1 337 . 5 1 1 A 38 38 ALA H H 38 8.590 8.608 -0.018 1
1 338 . 5 1 1 A 38 38 ALA HA H 38 4.630 4.993 -0.363 1
1 342 . 5 1 1 A 38 38 ALA C C 38 175.900 176.996 -1.096 1
1 343 . 5 1 1 A 38 38 ALA CA C 38 52.500 50.997 1.503 1
1 344 . 5 1 1 A 38 38 ALA CB C 38 18.300 20.289 -1.989 1
1 345 . 5 1 1 A 38 38 ALA N N 38 125.100 123.234 1.866 1
1 346 . 5 1 1 A 39 39 HIS H H 39 8.080 8.756 -0.676 1
1 347 . 5 1 1 A 39 39 HIS HA H 39 4.620 5.057 -0.437 1
1 352 . 5 1 1 A 39 39 HIS C C 39 174.100 172.839 1.261 1
1 353 . 5 1 1 A 39 39 HIS CA C 39 57.000 55.927 1.073 1
1 354 . 5 1 1 A 39 39 HIS CB C 39 34.600 33.651 0.949 1
1 355 . 5 1 1 A 39 39 HIS N N 39 125.600 121.539 4.061 1
1 356 . 5 1 1 A 40 40 SER H H 40 6.860 8.864 -2.004 1
1 357 . 5 1 1 A 40 40 SER HA H 40 4.060 4.971 -0.911 1
1 360 . 5 1 1 A 40 40 SER C C 40 174.900 173.477 1.423 1
1 361 . 5 1 1 A 40 40 SER CA C 40 58.800 57.582 1.218 1
1 362 . 5 1 1 A 40 40 SER CB C 40 62.700 64.029 -1.329 1
1 363 . 5 1 1 A 40 40 SER N N 40 118.700 121.772 -3.072 1
1 364 . 5 1 1 A 41 41 SER H H 41 9.140 8.857 0.283 1
1 365 . 5 1 1 A 41 41 SER HA H 41 4.480 4.806 -0.326 1
1 368 . 5 1 1 A 41 41 SER C C 41 173.600 171.392 2.208 1
1 369 . 5 1 1 A 41 41 SER CA C 41 57.800 56.877 0.923 1
1 370 . 5 1 1 A 41 41 SER CB C 41 63.600 66.019 -2.419 1
1 371 . 5 1 1 A 41 41 SER N N 41 122.500 120.734 1.766 1
1 372 . 5 1 1 A 42 42 PRO HA H 42 4.040 4.099 -0.059 1
1 379 . 5 1 1 A 42 42 PRO C C 42 174.900 176.693 -1.793 1
1 380 . 5 1 1 A 42 42 PRO CA C 42 63.700 63.246 0.454 1
1 381 . 5 1 1 A 42 42 PRO CB C 42 31.500 31.827 -0.327 1
1 384 . 5 1 1 A 43 43 TRP H H 43 6.590 7.887 -1.297 1
1 385 . 5 1 1 A 43 43 TRP HA H 43 4.850 4.080 0.770 1
1 394 . 5 1 1 A 43 43 TRP C C 43 174.100 174.922 -0.822 1
1 395 . 5 1 1 A 43 43 TRP CA C 43 57.300 57.732 -0.432 1
1 396 . 5 1 1 A 43 43 TRP CB C 43 29.500 27.150 2.350 1
1 397 . 5 1 1 A 43 43 TRP N N 43 113.900 117.451 -3.551 1
1 399 . 5 1 1 A 44 44 PRO HA H 44 3.810 4.587 -0.777 1
1 405 . 5 1 1 A 44 44 PRO C C 44 174.800 176.115 -1.315 1
1 406 . 5 1 1 A 44 44 PRO CA C 44 63.200 62.878 0.322 1
1 407 . 5 1 1 A 44 44 PRO CB C 44 32.200 32.232 -0.032 1
1 410 . 5 1 1 A 45 45 ALA H H 45 7.850 8.304 -0.454 1
1 411 . 5 1 1 A 45 45 ALA HA H 45 5.260 4.681 0.579 1
1 415 . 5 1 1 A 45 45 ALA C C 45 174.800 175.429 -0.629 1
1 416 . 5 1 1 A 45 45 ALA CA C 45 50.100 50.374 -0.274 1
1 417 . 5 1 1 A 45 45 ALA CB C 45 20.800 22.433 -1.633 1
1 418 . 5 1 1 A 45 45 ALA N N 45 126.700 121.537 5.163 1
1 419 . 5 1 1 A 46 46 PHE H H 46 8.080 8.244 -0.164 1
1 420 . 5 1 1 A 46 46 PHE HA H 46 5.860 4.488 1.372 1
1 424 . 5 1 1 A 46 46 PHE C C 46 177.800 176.265 1.535 1
1 425 . 5 1 1 A 46 46 PHE CA C 46 54.800 56.484 -1.684 1
1 426 . 5 1 1 A 46 46 PHE CB C 46 44.500 41.867 2.633 1
1 427 . 5 1 1 A 46 46 PHE N N 46 115.600 114.635 0.965 1
1 428 . 5 1 1 A 47 47 THR H H 47 9.190 8.277 0.913 1
1 429 . 5 1 1 A 47 47 THR HA H 47 5.220 4.271 0.949 1
1 434 . 5 1 1 A 47 47 THR C C 47 175.000 174.241 0.759 1
1 435 . 5 1 1 A 47 47 THR CA C 47 63.000 66.164 -3.164 1
1 436 . 5 1 1 A 47 47 THR CB C 47 70.500 68.434 2.066 1
1 438 . 5 1 1 A 47 47 THR N N 47 109.900 117.471 -7.571 1
1 439 . 5 1 1 A 48 48 GLU H H 48 7.320 7.724 -0.404 1
1 440 . 5 1 1 A 48 48 GLU HA H 48 4.920 4.884 0.036 1
1 445 . 5 1 1 A 48 48 GLU C C 48 175.400 174.819 0.581 1
1 446 . 5 1 1 A 48 48 GLU CA C 48 55.200 54.476 0.724 1
1 447 . 5 1 1 A 48 48 GLU CB C 48 31.900 33.634 -1.734 1
1 449 . 5 1 1 A 48 48 GLU N N 48 115.400 118.944 -3.544 1
1 450 . 5 1 1 A 49 49 THR H H 49 8.150 8.174 -0.024 1
1 451 . 5 1 1 A 49 49 THR HA H 49 4.090 4.456 -0.366 1
1 456 . 5 1 1 A 49 49 THR C C 49 175.800 175.025 0.775 1
1 457 . 5 1 1 A 49 49 THR CA C 49 60.000 59.099 0.901 1
1 458 . 5 1 1 A 49 49 THR CB C 49 70.400 71.167 -0.767 1
1 460 . 5 1 1 A 49 49 THR N N 49 111.400 110.578 0.822 1
1 461 . 5 1 1 A 50 50 ILE H H 50 7.720 8.776 -1.056 1
1 462 . 5 1 1 A 50 50 ILE HA H 50 3.630 3.581 0.049 1
1 472 . 5 1 1 A 50 50 ILE C C 50 174.500 175.949 -1.449 1
1 473 . 5 1 1 A 50 50 ILE CA C 50 64.100 63.569 0.531 1
1 474 . 5 1 1 A 50 50 ILE CB C 50 38.700 38.011 0.689 1
1 478 . 5 1 1 A 50 50 ILE N N 50 121.700 121.566 0.134 1
1 479 . 5 1 1 A 51 51 HIS H H 51 7.400 7.870 -0.470 1
1 480 . 5 1 1 A 51 51 HIS HA H 51 5.300 4.120 1.180 1
1 484 . 5 1 1 A 51 51 HIS C C 51 175.500 174.435 1.065 1
1 485 . 5 1 1 A 51 51 HIS CA C 51 51.800 56.657 -4.857 1
1 486 . 5 1 1 A 51 51 HIS CB C 51 29.700 27.829 1.871 1
1 487 . 5 1 1 A 51 51 HIS N N 51 115.500 120.441 -4.941 1
1 488 . 5 1 1 A 52 52 PRO HA H 52 4.350 4.350 0.000 1
1 495 . 5 1 1 A 52 52 PRO C C 52 176.900 175.586 1.314 1
1 496 . 5 1 1 A 52 52 PRO CA C 52 64.800 62.621 2.179 1
1 497 . 5 1 1 A 52 52 PRO CB C 52 31.300 32.942 -1.642 1
1 500 . 5 1 1 A 53 53 ASP H H 53 8.070 8.204 -0.134 1
1 501 . 5 1 1 A 53 53 ASP HA H 53 4.760 4.528 0.232 1
1 504 . 5 1 1 A 53 53 ASP C C 53 176.900 176.222 0.678 1
1 505 . 5 1 1 A 53 53 ASP CA C 53 52.100 53.816 -1.716 1
1 506 . 5 1 1 A 53 53 ASP CB C 53 39.700 40.080 -0.380 1
1 507 . 5 1 1 A 53 53 ASP N N 53 114.300 119.869 -5.569 1
1 508 . 5 1 1 A 54 54 SER H H 54 7.720 7.936 -0.216 1
1 509 . 5 1 1 A 54 54 SER HA H 54 4.040 4.599 -0.559 1
1 512 . 5 1 1 A 54 54 SER C C 54 173.200 173.989 -0.789 1
1 513 . 5 1 1 A 54 54 SER CA C 54 64.100 58.628 5.472 1
1 514 . 5 1 1 A 54 54 SER CB C 54 64.200 64.324 -0.124 1
1 515 . 5 1 1 A 54 54 SER N N 54 116.300 114.190 2.110 1
1 516 . 5 1 1 A 55 55 VAL H H 55 7.360 7.279 0.081 1
1 517 . 5 1 1 A 55 55 VAL HA H 55 5.280 4.798 0.482 1
1 525 . 5 1 1 A 55 55 VAL C C 55 175.700 174.189 1.511 1
1 526 . 5 1 1 A 55 55 VAL CA C 55 57.300 59.896 -2.596 1
1 527 . 5 1 1 A 55 55 VAL CB C 55 34.800 34.364 0.436 1
1 530 . 5 1 1 A 55 55 VAL N N 55 105.200 117.358 -12.158 1
1 531 . 5 1 1 A 56 56 THR H H 56 8.780 8.653 0.127 1
1 532 . 5 1 1 A 56 56 THR HA H 56 4.530 5.157 -0.627 1
1 537 . 5 1 1 A 56 56 THR C C 56 173.800 173.134 0.666 1
1 538 . 5 1 1 A 56 56 THR CA C 56 60.500 60.151 0.349 1
1 539 . 5 1 1 A 56 56 THR CB C 56 70.400 71.558 -1.158 1
1 541 . 5 1 1 A 56 56 THR N N 56 116.000 116.747 -0.747 1
1 542 . 5 1 1 A 57 57 LYS H H 57 8.610 8.886 -0.276 1
1 543 . 5 1 1 A 57 57 LYS HA H 57 5.490 5.282 0.208 1
1 550 . 5 1 1 A 57 57 LYS C C 57 176.000 175.232 0.768 1
1 551 . 5 1 1 A 57 57 LYS CA C 57 54.600 54.281 0.319 1
1 552 . 5 1 1 A 57 57 LYS CB C 57 36.000 36.275 -0.275 1
1 556 . 5 1 1 A 57 57 LYS N N 57 121.900 124.181 -2.281 1
1 557 . 5 1 1 A 58 58 CYS H H 58 8.610 9.073 -0.463 1
1 558 . 5 1 1 A 58 58 CYS HA H 58 5.100 5.039 0.061 1
1 561 . 5 1 1 A 58 58 CYS CA C 58 55.200 56.499 -1.299 1
1 562 . 5 1 1 A 58 58 CYS CB C 58 29.700 30.806 -1.106 1
1 563 . 5 1 1 A 58 58 CYS N N 58 120.600 117.651 2.949 1
1 564 . 5 1 1 A 59 59 PRO HA H 59 4.590 4.507 0.083 1
1 571 . 5 1 1 A 59 59 PRO C C 59 176.600 176.771 -0.171 1
1 572 . 5 1 1 A 59 59 PRO CA C 59 63.700 62.323 1.377 1
1 573 . 5 1 1 A 59 59 PRO CB C 59 32.100 31.967 0.133 1
1 576 . 5 1 1 A 60 60 GLU H H 60 8.630 8.148 0.482 1
1 577 . 5 1 1 A 60 60 GLU HA H 60 4.450 4.464 -0.014 1
1 582 . 5 1 1 A 60 60 GLU C C 60 176.900 177.304 -0.404 1
1 583 . 5 1 1 A 60 60 GLU CA C 60 55.700 56.333 -0.633 1
1 584 . 5 1 1 A 60 60 GLU CB C 60 30.500 30.316 0.184 1
1 586 . 5 1 1 A 60 60 GLU N N 60 123.900 121.407 2.493 1
1 587 . 5 1 1 A 61 61 LYS H H 61 8.780 8.483 0.297 1
1 588 . 5 1 1 A 61 61 LYS HA H 61 3.930 4.542 -0.612 1
1 596 . 5 1 1 A 61 61 LYS C C 61 177.100 177.383 -0.283 1
1 597 . 5 1 1 A 61 61 LYS CA C 61 58.300 57.050 1.250 1
1 598 . 5 1 1 A 61 61 LYS CB C 61 31.900 34.044 -2.144 1
1 602 . 5 1 1 A 61 61 LYS N N 61 127.000 120.112 6.888 1
1 603 . 5 1 1 A 62 62 ASN H H 62 8.870 8.198 0.672 1
1 604 . 5 1 1 A 62 62 ASN HA H 62 4.520 4.715 -0.195 1
1 609 . 5 1 1 A 62 62 ASN C C 62 174.400 175.441 -1.041 1
1 610 . 5 1 1 A 62 62 ASN CA C 62 54.000 52.974 1.026 1
1 611 . 5 1 1 A 62 62 ASN CB C 62 38.000 37.998 0.002 1
1 612 . 5 1 1 A 62 62 ASN N N 62 117.000 116.423 0.577 1
1 613 . 5 1 1 A 63 63 ARG H H 63 7.430 7.588 -0.158 1
1 614 . 5 1 1 A 63 63 ARG HA H 63 4.810 4.771 0.039 1
1 622 . 5 1 1 A 63 63 ARG C C 63 172.300 174.307 -2.007 1
1 623 . 5 1 1 A 63 63 ARG CA C 63 53.800 53.678 0.122 1
1 624 . 5 1 1 A 63 63 ARG CB C 63 31.300 30.882 0.418 1
1 627 . 5 1 1 A 63 63 ARG N N 63 119.200 119.900 -0.700 1
1 629 . 5 1 1 A 64 64 PRO HA H 64 4.350 4.500 -0.150 1
1 636 . 5 1 1 A 64 64 PRO C C 64 176.900 175.940 0.960 1
1 637 . 5 1 1 A 64 64 PRO CA C 64 64.200 63.013 1.187 1
1 638 . 5 1 1 A 64 64 PRO CB C 64 31.800 29.942 1.858 1
1 641 . 5 1 1 A 65 65 GLU H H 65 9.210 8.586 0.624 1
1 642 . 5 1 1 A 65 65 GLU HA H 65 4.280 4.415 -0.135 1
1 647 . 5 1 1 A 65 65 GLU C C 65 174.300 174.883 -0.583 1
1 648 . 5 1 1 A 65 65 GLU CA C 65 56.600 55.828 0.772 1
1 649 . 5 1 1 A 65 65 GLU CB C 65 28.200 31.284 -3.084 1
1 651 . 5 1 1 A 65 65 GLU N N 65 117.000 119.653 -2.653 1
1 652 . 5 1 1 A 66 66 ALA H H 66 8.040 7.037 1.003 1
1 653 . 5 1 1 A 66 66 ALA HA H 66 5.230 4.258 0.972 1
1 657 . 5 1 1 A 66 66 ALA C C 66 174.900 174.943 -0.043 1
1 658 . 5 1 1 A 66 66 ALA CA C 66 50.300 51.319 -1.019 1
1 659 . 5 1 1 A 66 66 ALA CB C 66 22.200 21.927 0.273 1
1 660 . 5 1 1 A 66 66 ALA N N 66 124.800 120.161 4.639 1
1 661 . 5 1 1 A 67 67 LEU H H 67 8.710 8.751 -0.041 1
1 662 . 5 1 1 A 67 67 LEU HA H 67 4.800 4.957 -0.157 1
1 672 . 5 1 1 A 67 67 LEU C C 67 177.200 175.976 1.224 1
1 673 . 5 1 1 A 67 67 LEU CA C 67 52.800 53.682 -0.882 1
1 674 . 5 1 1 A 67 67 LEU CB C 67 43.200 45.845 -2.645 1
1 678 . 5 1 1 A 67 67 LEU N N 67 120.400 118.557 1.843 1
1 679 . 5 1 1 A 68 68 LYS H H 68 9.180 8.967 0.213 1
1 680 . 5 1 1 A 68 68 LYS HA H 68 4.050 4.548 -0.498 1
1 689 . 5 1 1 A 68 68 LYS C C 68 176.900 175.068 1.832 1
1 690 . 5 1 1 A 68 68 LYS CA C 68 57.100 54.393 2.707 1
1 691 . 5 1 1 A 68 68 LYS CB C 68 32.600 34.823 -2.223 1
1 695 . 5 1 1 A 68 68 LYS N N 68 125.300 118.977 6.323 1
1 696 . 5 1 1 A 69 69 VAL H H 69 8.150 8.396 -0.246 1
1 697 . 5 1 1 A 69 69 VAL HA H 69 5.240 4.865 0.375 1
1 705 . 5 1 1 A 69 69 VAL C C 69 174.900 174.624 0.276 1
1 706 . 5 1 1 A 69 69 VAL CA C 69 59.900 61.025 -1.125 1
1 707 . 5 1 1 A 69 69 VAL CB C 69 34.700 33.909 0.791 1
1 710 . 5 1 1 A 69 69 VAL N N 69 121.600 125.013 -3.413 1
1 711 . 5 1 1 A 70 70 SER H H 70 8.610 8.550 0.060 1
1 712 . 5 1 1 A 70 70 SER HA H 70 5.210 5.019 0.191 1
1 715 . 5 1 1 A 70 70 SER C C 70 171.900 172.317 -0.417 1
1 716 . 5 1 1 A 70 70 SER CA C 70 56.600 56.918 -0.318 1
1 717 . 5 1 1 A 70 70 SER CB C 70 65.600 66.080 -0.480 1
1 718 . 5 1 1 A 70 70 SER N N 70 120.600 119.439 1.161 1
1 719 . 5 1 1 A 71 71 CYS H H 71 9.280 8.656 0.624 1
1 720 . 5 1 1 A 71 71 CYS HA H 71 4.130 4.546 -0.416 1
1 723 . 5 1 1 A 71 71 CYS C C 71 178.600 175.159 3.441 1
1 724 . 5 1 1 A 71 71 CYS CA C 71 61.600 58.213 3.387 1
1 725 . 5 1 1 A 71 71 CYS CB C 71 31.300 26.620 4.680 1
1 726 . 5 1 1 A 71 71 CYS N N 71 126.700 121.695 5.005 1
1 727 . 5 1 1 A 72 72 GLY H H 72 9.140 8.374 0.766 1
1 728 . 5 1 1 A 72 72 GLY HA2 H 72 3.760 3.878 -0.118 1
1 729 . 5 1 1 A 72 72 GLY HA3 H 72 3.670 3.882 -0.212 1
1 730 . 5 1 1 A 72 72 GLY C C 72 172.500 175.910 -3.410 1
1 731 . 5 1 1 A 72 72 GLY CA C 72 46.200 47.209 -1.009 1
1 732 . 5 1 1 A 72 72 GLY N N 72 120.100 113.884 6.216 1
1 733 . 5 1 1 A 73 73 LYS H H 73 9.090 8.049 1.041 1
1 734 . 5 1 1 A 73 73 LYS HA H 73 4.210 4.050 0.160 1
1 742 . 5 1 1 A 73 73 LYS C C 73 177.600 178.147 -0.547 1
1 743 . 5 1 1 A 73 73 LYS CA C 73 56.600 59.141 -2.541 1
1 744 . 5 1 1 A 73 73 LYS CB C 73 32.700 32.187 0.513 1
1 748 . 5 1 1 A 73 73 LYS N N 73 124.400 120.997 3.403 1
1 749 . 5 1 1 A 74 74 CYS H H 74 8.590 7.668 0.922 1
1 750 . 5 1 1 A 74 74 CYS HA H 74 4.910 4.614 0.296 1
1 753 . 5 1 1 A 74 74 CYS C C 74 177.400 175.669 1.731 1
1 754 . 5 1 1 A 74 74 CYS CA C 74 58.900 58.595 0.305 1
1 755 . 5 1 1 A 74 74 CYS CB C 74 33.300 29.131 4.169 1
1 756 . 5 1 1 A 74 74 CYS N N 74 119.700 114.161 5.539 1
1 757 . 5 1 1 A 75 75 GLY H H 75 7.760 8.779 -1.019 1
1 758 . 5 1 1 A 75 75 GLY HA2 H 75 4.210 3.973 0.237 1
1 759 . 5 1 1 A 75 75 GLY HA3 H 75 3.750 3.974 -0.224 1
1 760 . 5 1 1 A 75 75 GLY C C 75 174.000 173.972 0.028 1
1 761 . 5 1 1 A 75 75 GLY CA C 75 46.100 46.538 -0.438 1
1 762 . 5 1 1 A 75 75 GLY N N 75 113.000 111.486 1.514 1
1 763 . 5 1 1 A 76 76 ASN H H 76 9.050 7.880 1.170 1
1 764 . 5 1 1 A 76 76 ASN HA H 76 4.500 5.119 -0.619 1
1 769 . 5 1 1 A 76 76 ASN C C 76 178.700 174.149 4.551 1
1 770 . 5 1 1 A 76 76 ASN CA C 76 54.700 51.358 3.342 1
1 771 . 5 1 1 A 76 76 ASN CB C 76 39.800 40.683 -0.883 1
1 772 . 5 1 1 A 76 76 ASN N N 76 123.700 118.515 5.185 1
1 774 . 5 1 1 A 77 77 GLY H H 77 8.660 8.466 0.194 1
1 775 . 5 1 1 A 77 77 GLY HA2 H 77 3.970 4.242 -0.272 1
1 776 . 5 1 1 A 77 77 GLY HA3 H 77 3.710 4.265 -0.555 1
1 777 . 5 1 1 A 77 77 GLY C C 77 173.800 174.692 -0.892 1
1 778 . 5 1 1 A 77 77 GLY CA C 77 47.300 45.667 1.633 1
1 779 . 5 1 1 A 77 77 GLY N N 77 115.600 109.218 6.382 1
1 780 . 5 1 1 A 78 78 LEU H H 78 8.600 8.968 -0.368 1
1 781 . 5 1 1 A 78 78 LEU HA H 78 4.810 4.156 0.654 1
1 791 . 5 1 1 A 78 78 LEU C C 78 173.800 177.065 -3.265 1
1 792 . 5 1 1 A 78 78 LEU CA C 78 54.900 57.656 -2.756 1
1 793 . 5 1 1 A 78 78 LEU CB C 78 45.000 42.413 2.587 1
1 797 . 5 1 1 A 78 78 LEU N N 78 122.700 124.559 -1.859 1
1 798 . 5 1 1 A 79 79 GLY H H 79 7.100 7.233 -0.133 1
1 799 . 5 1 1 A 79 79 GLY HA2 H 79 4.650 4.304 0.346 1
1 800 . 5 1 1 A 79 79 GLY HA3 H 79 3.020 4.311 -1.291 1
1 801 . 5 1 1 A 79 79 GLY C C 79 173.000 171.629 1.371 1
1 802 . 5 1 1 A 79 79 GLY CA C 79 44.900 45.492 -0.592 1
1 803 . 5 1 1 A 79 79 GLY N N 79 102.400 104.661 -2.261 1
1 804 . 5 1 1 A 80 80 HIS H H 80 8.580 8.128 0.452 1
1 805 . 5 1 1 A 80 80 HIS HA H 80 5.470 5.242 0.228 1
1 810 . 5 1 1 A 80 80 HIS C C 80 172.300 173.125 -0.825 1
1 811 . 5 1 1 A 80 80 HIS CA C 80 55.000 54.130 0.870 1
1 812 . 5 1 1 A 80 80 HIS CB C 80 34.500 34.360 0.140 1
1 813 . 5 1 1 A 80 80 HIS N N 80 122.400 118.807 3.593 1
1 814 . 5 1 1 A 81 81 GLU H H 81 9.260 9.059 0.201 1
1 815 . 5 1 1 A 81 81 GLU HA H 81 4.100 4.655 -0.555 1
1 820 . 5 1 1 A 81 81 GLU C C 81 174.300 174.864 -0.564 1
1 821 . 5 1 1 A 81 81 GLU CA C 81 54.700 55.304 -0.604 1
1 822 . 5 1 1 A 81 81 GLU CB C 81 31.600 32.911 -1.311 1
1 824 . 5 1 1 A 81 81 GLU N N 81 123.700 120.779 2.921 1
1 825 . 5 1 1 A 82 82 PHE H H 82 9.150 9.002 0.148 1
1 826 . 5 1 1 A 82 82 PHE HA H 82 5.080 4.764 0.316 1
1 830 . 5 1 1 A 82 82 PHE C C 82 174.300 174.591 -0.291 1
1 831 . 5 1 1 A 82 82 PHE CA C 82 56.700 56.348 0.352 1
1 832 . 5 1 1 A 82 82 PHE CB C 82 38.800 38.724 0.076 1
1 833 . 5 1 1 A 82 82 PHE N N 82 126.900 129.142 -2.242 1
1 834 . 5 1 1 A 83 83 LEU H H 83 8.280 8.133 0.147 1
1 835 . 5 1 1 A 83 83 LEU HA H 83 4.100 4.689 -0.589 1
1 845 . 5 1 1 A 83 83 LEU C C 83 176.200 176.439 -0.239 1
1 846 . 5 1 1 A 83 83 LEU CA C 83 55.500 53.055 2.445 1
1 847 . 5 1 1 A 83 83 LEU CB C 83 42.000 44.538 -2.538 1
1 849 . 5 1 1 A 83 83 LEU N N 83 126.900 128.674 -1.774 1
1 850 . 5 1 1 A 84 84 ASN H H 84 9.260 8.902 0.358 1
1 851 . 5 1 1 A 84 84 ASN HA H 84 4.290 4.384 -0.094 1
1 856 . 5 1 1 A 84 84 ASN C C 84 174.400 174.341 0.059 1
1 857 . 5 1 1 A 84 84 ASN CA C 84 54.800 54.849 -0.049 1
1 858 . 5 1 1 A 84 84 ASN CB C 84 37.900 36.995 0.905 1
1 859 . 5 1 1 A 84 84 ASN N N 84 116.900 116.617 0.283 1
1 861 . 5 1 1 A 85 85 ASP H H 85 7.140 8.066 -0.926 1
1 862 . 5 1 1 A 85 85 ASP HA H 85 5.200 5.039 0.161 1
1 865 . 5 1 1 A 85 85 ASP C C 85 176.000 176.608 -0.608 1
1 866 . 5 1 1 A 85 85 ASP CA C 85 53.800 55.268 -1.468 1
1 867 . 5 1 1 A 85 85 ASP CB C 85 45.500 43.513 1.987 1
1 868 . 5 1 1 A 85 85 ASP N N 85 117.200 118.166 -0.966 1
1 869 . 5 1 1 A 86 86 GLY H H 86 8.230 8.051 0.179 1
1 870 . 5 1 1 A 86 86 GLY HA2 H 86 4.140 4.457 -0.317 1
1 871 . 5 1 1 A 86 86 GLY HA3 H 86 3.280 4.465 -1.185 1
1 872 . 5 1 1 A 86 86 GLY C C 86 171.700 173.869 -2.169 1
1 873 . 5 1 1 A 86 86 GLY CA C 86 44.600 46.683 -2.083 1
1 874 . 5 1 1 A 86 86 GLY N N 86 107.600 105.925 1.675 1
1 875 . 5 1 1 A 87 87 PRO HA H 87 4.190 4.365 -0.175 1
1 882 . 5 1 1 A 87 87 PRO C C 87 177.000 178.438 -1.438 1
1 883 . 5 1 1 A 87 87 PRO CA C 87 65.200 64.662 0.538 1
1 884 . 5 1 1 A 87 87 PRO CB C 87 31.700 32.177 -0.477 1
1 887 . 5 1 1 A 88 88 LYS H H 88 7.310 8.194 -0.884 1
1 888 . 5 1 1 A 88 88 LYS HA H 88 4.480 4.285 0.195 1
1 897 . 5 1 1 A 88 88 LYS C C 88 175.700 177.508 -1.808 1
1 898 . 5 1 1 A 88 88 LYS CA C 88 53.700 58.875 -5.175 1
1 899 . 5 1 1 A 88 88 LYS CB C 88 34.900 32.562 2.338 1
1 903 . 5 1 1 A 88 88 LYS N N 88 116.200 116.998 -0.798 1
1 904 . 5 1 1 A 89 89 ARG H H 89 8.320 7.675 0.645 1
1 905 . 5 1 1 A 89 89 ARG HA H 89 4.010 4.399 -0.389 1
1 912 . 5 1 1 A 89 89 ARG C C 89 177.500 177.887 -0.387 1
1 913 . 5 1 1 A 89 89 ARG CA C 89 57.900 56.793 1.107 1
1 914 . 5 1 1 A 89 89 ARG CB C 89 32.100 31.071 1.029 1
1 917 . 5 1 1 A 89 89 ARG N N 89 122.200 119.415 2.785 1
1 919 . 5 1 1 A 90 90 GLY H H 90 8.950 8.672 0.278 1
1 920 . 5 1 1 A 90 90 GLY HA2 H 90 4.240 3.970 0.270 1
1 921 . 5 1 1 A 90 90 GLY HA3 H 90 3.850 3.974 -0.124 1
1 922 . 5 1 1 A 90 90 GLY C C 90 175.000 174.234 0.766 1
1 923 . 5 1 1 A 90 90 GLY CA C 90 45.100 45.365 -0.265 1
1 924 . 5 1 1 A 90 90 GLY N N 90 115.100 111.681 3.419 1
1 925 . 5 1 1 A 91 91 GLN H H 91 8.120 7.758 0.362 1
1 926 . 5 1 1 A 91 91 GLN HA H 91 4.580 4.314 0.266 1
1 933 . 5 1 1 A 91 91 GLN C C 91 177.000 175.168 1.832 1
1 934 . 5 1 1 A 91 91 GLN CA C 91 55.900 56.828 -0.928 1
1 935 . 5 1 1 A 91 91 GLN CB C 91 31.000 29.597 1.403 1
1 937 . 5 1 1 A 91 91 GLN N N 91 120.900 120.719 0.181 1
1 938 . 5 1 1 A 92 92 SER H H 92 9.210 8.915 0.295 1
1 939 . 5 1 1 A 92 92 SER HA H 92 4.820 5.101 -0.281 1
1 942 . 5 1 1 A 92 92 SER C C 92 171.600 172.727 -1.127 1
1 943 . 5 1 1 A 92 92 SER CA C 92 57.700 57.877 -0.177 1
1 944 . 5 1 1 A 92 92 SER CB C 92 65.200 66.051 -0.851 1
1 945 . 5 1 1 A 92 92 SER N N 92 120.900 116.704 4.196 1
1 946 . 5 1 1 A 93 93 ARG H H 93 7.820 9.088 -1.268 1
1 947 . 5 1 1 A 93 93 ARG HA H 93 4.950 5.106 -0.156 1
1 952 . 5 1 1 A 93 93 ARG C C 93 176.400 174.111 2.289 1
1 953 . 5 1 1 A 93 93 ARG CA C 93 55.200 54.919 0.281 1
1 954 . 5 1 1 A 93 93 ARG CB C 93 34.600 32.856 1.744 1
1 957 . 5 1 1 A 93 93 ARG N N 93 117.800 125.700 -7.900 1
1 958 . 5 1 1 A 94 94 PHE H H 94 9.860 9.238 0.622 1
1 959 . 5 1 1 A 94 94 PHE HA H 94 4.780 5.601 -0.821 1
1 962 . 5 1 1 A 94 94 PHE C C 94 176.400 173.814 2.586 1
1 963 . 5 1 1 A 94 94 PHE CA C 94 58.300 55.692 2.608 1
1 964 . 5 1 1 A 94 94 PHE CB C 94 38.500 41.483 -2.983 1
1 965 . 5 1 1 A 94 94 PHE N N 94 127.100 124.448 2.652 1
1 966 . 5 1 1 A 95 95 CYS H H 95 9.190 8.886 0.304 1
1 967 . 5 1 1 A 95 95 CYS HA H 95 4.810 4.700 0.110 1
1 970 . 5 1 1 A 95 95 CYS CA C 95 57.300 58.191 -0.891 1
1 971 . 5 1 1 A 95 95 CYS CB C 95 28.700 27.672 1.028 1
1 972 . 5 1 1 A 95 95 CYS N N 95 128.200 126.860 1.340 1
1 973 . 5 1 1 A 96 96 ILE H H 96 7.510 8.852 -1.342 1
1 974 . 5 1 1 A 96 96 ILE HA H 96 4.620 4.756 -0.136 1
1 983 . 5 1 1 A 96 96 ILE C C 96 173.700 174.638 -0.938 1
1 984 . 5 1 1 A 96 96 ILE CA C 96 55.800 59.979 -4.179 1
1 985 . 5 1 1 A 96 96 ILE CB C 96 39.900 40.499 -0.599 1
1 989 . 5 1 1 A 96 96 ILE N N 96 130.700 128.758 1.942 1
1 990 . 5 1 1 A 97 97 PHE H H 97 8.040 8.746 -0.706 1
1 991 . 5 1 1 A 97 97 PHE HA H 97 4.920 4.863 0.057 1
1 994 . 5 1 1 A 97 97 PHE C C 97 178.800 177.111 1.689 1
1 995 . 5 1 1 A 97 97 PHE CA C 97 57.500 57.511 -0.011 1
1 996 . 5 1 1 A 97 97 PHE CB C 97 38.400 40.381 -1.981 1
1 997 . 5 1 1 A 97 97 PHE N N 97 122.400 127.655 -5.255 1
1 998 . 5 1 1 A 98 98 SER HA H 98 4.380 4.360 0.020 1
1 1001 . 5 1 1 A 98 98 SER C C 98 176.400 175.867 0.533 1
1 1002 . 5 1 1 A 98 98 SER CA C 98 64.900 61.078 3.822 1
1 1003 . 5 1 1 A 98 98 SER CB C 98 63.600 63.082 0.518 1
1 1004 . 5 1 1 A 99 99 SER H H 99 9.360 8.012 1.348 1
1 1005 . 5 1 1 A 99 99 SER HA H 99 4.300 4.426 -0.126 1
1 1008 . 5 1 1 A 99 99 SER C C 99 175.800 175.588 0.212 1
1 1009 . 5 1 1 A 99 99 SER CA C 99 60.200 58.778 1.422 1
1 1010 . 5 1 1 A 99 99 SER CB C 99 62.700 62.861 -0.161 1
1 1011 . 5 1 1 A 99 99 SER N N 99 114.100 117.125 -3.025 1
1 1012 . 5 1 1 A 100 100 SER H H 100 8.150 8.324 -0.174 1
1 1013 . 5 1 1 A 100 100 SER HA H 100 4.630 4.469 0.161 1
1 1016 . 5 1 1 A 100 100 SER C C 100 173.500 174.703 -1.203 1
1 1017 . 5 1 1 A 100 100 SER CA C 100 60.400 61.453 -1.053 1
1 1018 . 5 1 1 A 100 100 SER CB C 100 63.600 63.925 -0.325 1
1 1019 . 5 1 1 A 100 100 SER N N 100 118.700 115.213 3.487 1
1 1020 . 5 1 1 A 101 101 LEU H H 101 8.100 7.676 0.424 1
1 1021 . 5 1 1 A 101 101 LEU HA H 101 5.570 4.664 0.906 1
1 1031 . 5 1 1 A 101 101 LEU C C 101 176.000 174.235 1.765 1
1 1032 . 5 1 1 A 101 101 LEU CA C 101 53.400 54.312 -0.912 1
1 1033 . 5 1 1 A 101 101 LEU CB C 101 46.700 43.825 2.875 1
1 1036 . 5 1 1 A 101 101 LEU N N 101 122.000 115.066 6.934 1
1 1037 . 5 1 1 A 102 102 LYS H H 102 8.950 8.127 0.823 1
1 1038 . 5 1 1 A 102 102 LYS HA H 102 4.710 4.993 -0.283 1
1 1045 . 5 1 1 A 102 102 LYS C C 102 174.400 174.830 -0.430 1
1 1046 . 5 1 1 A 102 102 LYS CA C 102 55.400 54.692 0.708 1
1 1047 . 5 1 1 A 102 102 LYS CB C 102 36.500 35.341 1.159 1
1 1051 . 5 1 1 A 102 102 LYS N N 102 119.500 118.542 0.958 1
1 1052 . 5 1 1 A 103 103 PHE H H 103 9.010 8.829 0.181 1
1 1053 . 5 1 1 A 103 103 PHE HA H 103 4.750 4.832 -0.082 1
1 1056 . 5 1 1 A 103 103 PHE C C 103 173.900 173.342 0.558 1
1 1057 . 5 1 1 A 103 103 PHE CA C 103 57.100 54.982 2.118 1
1 1058 . 5 1 1 A 103 103 PHE CB C 103 41.300 41.654 -0.354 1
1 1059 . 5 1 1 A 103 103 PHE N N 103 124.500 123.285 1.215 1
1 1060 . 5 1 1 A 104 104 VAL H H 104 8.550 8.980 -0.430 1
1 1061 . 5 1 1 A 104 104 VAL HA H 104 4.140 4.565 -0.425 1
1 1069 . 5 1 1 A 104 104 VAL C C 104 172.800 173.522 -0.722 1
1 1070 . 5 1 1 A 104 104 VAL CA C 104 58.800 58.523 0.277 1
1 1071 . 5 1 1 A 104 104 VAL CB C 104 32.300 33.115 -0.815 1
1 1074 . 5 1 1 A 104 104 VAL N N 104 132.000 128.059 3.941 1
1 1075 . 5 1 1 A 105 105 PRO HA H 105 4.110 4.099 0.011 1
1 1082 . 5 1 1 A 105 105 PRO C C 105 176.400 176.796 -0.396 1
1 1083 . 5 1 1 A 105 105 PRO CA C 105 62.400 62.275 0.125 1
1 1084 . 5 1 1 A 105 105 PRO CB C 105 32.400 31.732 0.668 1
1 1087 . 5 1 1 A 106 106 LYS H H 106 7.900 8.055 -0.155 1
1 1088 . 5 1 1 A 106 106 LYS HA H 106 4.170 4.446 -0.276 1
1 1096 . 5 1 1 A 106 106 LYS C C 106 176.900 175.934 0.966 1
1 1097 . 5 1 1 A 106 106 LYS CA C 106 56.700 56.114 0.586 1
1 1098 . 5 1 1 A 106 106 LYS CB C 106 33.500 33.316 0.184 1
1 1102 . 5 1 1 A 106 106 LYS N N 106 123.200 121.576 1.624 1
1 1103 . 5 1 1 A 107 107 GLY H H 107 8.740 8.116 0.624 1
1 1104 . 5 1 1 A 107 107 GLY HA2 H 107 3.930 4.120 -0.190 1
1 1105 . 5 1 1 A 107 107 GLY HA3 H 107 3.960 4.128 -0.168 1
1 1106 . 5 1 1 A 107 107 GLY C C 107 174.000 174.210 -0.210 1
1 1107 . 5 1 1 A 107 107 GLY CA C 107 45.000 46.245 -1.245 1
1 1108 . 5 1 1 A 107 107 GLY N N 107 113.500 108.130 5.370 1
1 1109 . 5 1 1 A 108 108 LYS H H 108 8.240 8.673 -0.433 1
1 1110 . 5 1 1 A 108 108 LYS HA H 108 4.290 4.357 -0.067 1
1 1118 . 5 1 1 A 108 108 LYS C C 108 176.700 177.305 -0.605 1
1 1119 . 5 1 1 A 108 108 LYS CA C 108 56.000 57.776 -1.776 1
1 1120 . 5 1 1 A 108 108 LYS CB C 108 32.700 33.792 -1.092 1
1 1124 . 5 1 1 A 108 108 LYS N N 108 121.500 121.475 0.025 1
1 1125 . 5 1 1 A 109 109 GLU H H 109 8.650 8.085 0.565 1
1 1126 . 5 1 1 A 109 109 GLU HA H 109 4.180 4.575 -0.395 1
1 1131 . 5 1 1 A 109 109 GLU C C 109 176.500 176.209 0.291 1
1 1132 . 5 1 1 A 109 109 GLU CA C 109 56.600 58.082 -1.482 1
1 1133 . 5 1 1 A 109 109 GLU CB C 109 29.900 31.503 -1.603 1
1 1135 . 5 1 1 A 109 109 GLU N N 109 122.800 118.396 4.404 1
1 1136 . 5 1 1 A 110 110 ALA H H 110 8.400 7.823 0.577 1
1 1137 . 5 1 1 A 110 110 ALA HA H 110 4.190 3.922 0.268 1
1 1141 . 5 1 1 A 110 110 ALA CA C 110 52.500 54.201 -1.701 1
1 1142 . 5 1 1 A 110 110 ALA CB C 110 19.000 17.978 1.022 1
1 1143 . 5 1 1 A 110 110 ALA N N 110 126.100 121.734 4.366 1
1 1144 . 5 1 1 A 111 111 ALA H H 111 8.240 8.818 -0.578 1
1 1145 . 5 1 1 A 111 111 ALA HA H 111 4.220 3.979 0.241 1
1 1149 . 5 1 1 A 111 111 ALA C C 111 177.800 176.537 1.263 1
1 1150 . 5 1 1 A 111 111 ALA CA C 111 52.600 53.081 -0.481 1
1 1151 . 5 1 1 A 111 111 ALA CB C 111 19.000 17.869 1.131 1
1 1152 . 5 1 1 A 111 111 ALA N N 111 123.800 119.199 4.601 1
1 1153 . 5 1 1 A 112 112 ALA H H 112 8.220 8.353 -0.133 1
1 1154 . 5 1 1 A 112 112 ALA HA H 112 4.250 3.970 0.280 1
1 1158 . 5 1 1 A 112 112 ALA C C 112 178.100 176.294 1.806 1
1 1159 . 5 1 1 A 112 112 ALA CA C 112 52.600 52.806 -0.206 1
1 1160 . 5 1 1 A 112 112 ALA CB C 112 19.100 17.894 1.206 1
1 1161 . 5 1 1 A 112 112 ALA N N 112 123.600 121.331 2.269 1
1 1162 . 5 1 1 A 113 113 SER H H 113 8.200 7.753 0.447 1
1 1163 . 5 1 1 A 113 113 SER HA H 113 4.360 4.970 -0.610 1
1 1166 . 5 1 1 A 113 113 SER C C 113 174.800 172.190 2.610 1
1 1167 . 5 1 1 A 113 113 SER CA C 113 58.300 57.242 1.058 1
1 1168 . 5 1 1 A 113 113 SER CB C 113 63.500 65.892 -2.392 1
1 1169 . 5 1 1 A 113 113 SER N N 113 115.400 112.156 3.244 1
1 1170 . 5 1 1 A 114 114 GLN H H 114 8.320 8.430 -0.110 1
1 1171 . 5 1 1 A 114 114 GLN HA H 114 4.290 4.738 -0.448 1
1 1178 . 5 1 1 A 114 114 GLN C C 114 176.500 176.063 0.437 1
1 1179 . 5 1 1 A 114 114 GLN CA C 114 55.900 55.561 0.339 1
1 1180 . 5 1 1 A 114 114 GLN CB C 114 29.300 30.458 -1.158 1
1 1182 . 5 1 1 A 114 114 GLN N N 114 122.500 121.000 1.500 1
1 1183 . 5 1 1 A 115 115 GLY H H 115 8.370 8.503 -0.133 1
1 1184 . 5 1 1 A 115 115 GLY HA2 H 115 3.850 4.197 -0.347 1
1 1185 . 5 1 1 A 115 115 GLY HA3 H 115 3.850 4.268 -0.418 1
1 1186 . 5 1 1 A 115 115 GLY C C 115 173.900 173.516 0.384 1
1 1187 . 5 1 1 A 115 115 GLY CA C 115 45.400 44.384 1.016 1
1 1188 . 5 1 1 A 115 115 GLY N N 115 110.000 108.833 1.167 1
1 1189 . 5 1 1 A 116 116 HIS H H 116 8.290 8.918 -0.628 1
1 1190 . 5 1 1 A 116 116 HIS HA H 116 4.620 5.136 -0.516 1
1 1195 . 5 1 1 A 116 116 HIS C C 116 174.600 172.996 1.604 1
1 1196 . 5 1 1 A 116 116 HIS CA C 116 55.500 54.678 0.822 1
1 1197 . 5 1 1 A 116 116 HIS CB C 116 29.100 31.460 -2.360 1
1 1198 . 5 1 1 A 116 116 HIS N N 116 119.100 117.188 1.912 1
1 1199 . 5 1 1 A 117 117 LEU H H 117 8.220 8.518 -0.298 1
1 1200 . 5 1 1 A 117 117 LEU HA H 117 4.240 4.337 -0.097 1
1 1210 . 5 1 1 A 117 117 LEU C C 117 174.600 175.808 -1.208 1
1 1211 . 5 1 1 A 117 117 LEU CA C 117 55.100 54.849 0.251 1
1 1212 . 5 1 1 A 117 117 LEU CB C 117 42.300 42.592 -0.292 1
1 1216 . 5 1 1 A 117 117 LEU N N 117 124.100 120.286 3.814 1
1 1217 . 5 1 1 A 118 118 GLU H H 118 8.350 8.962 -0.612 1
1 1218 . 5 1 1 A 118 118 GLU HA H 118 4.160 5.098 -0.938 1
1 1223 . 5 1 1 A 118 118 GLU C C 118 176.000 174.503 1.497 1
1 1224 . 5 1 1 A 118 118 GLU CA C 118 56.300 54.537 1.763 1
1 1225 . 5 1 1 A 118 118 GLU CB C 118 30.300 34.279 -3.979 1
1 1227 . 5 1 1 A 118 118 GLU N N 118 122.300 117.856 4.444 1
1 1228 . 5 1 1 A 119 119 HIS H H 119 8.410 8.292 0.118 1
1 1229 . 5 1 1 A 119 119 HIS HA H 119 4.570 4.852 -0.282 1
1 1232 . 5 1 1 A 119 119 HIS C C 119 174.500 172.974 1.526 1
1 1233 . 5 1 1 A 119 119 HIS CA C 119 55.400 54.678 0.722 1
1 1234 . 5 1 1 A 119 119 HIS CB C 119 29.400 31.254 -1.854 1
1 1235 . 5 1 1 A 119 119 HIS N N 119 120.500 115.485 5.015 1
1 1236 . 5 1 1 A 120 120 HIS H H 120 8.530 8.602 -0.072 1
1 1237 . 5 1 1 A 120 120 HIS HA H 120 4.640 4.656 -0.016 1
1 1240 . 5 1 1 A 120 120 HIS C C 120 174.400 175.180 -0.780 1
1 1241 . 5 1 1 A 120 120 HIS CA C 120 57.900 57.000 0.900 1
1 1242 . 5 1 1 A 120 120 HIS CB C 120 29.400 31.611 -2.211 1
1 1 . 6 1 1 A 3 3 PHE HA H 3 4.650 5.064 -0.414 1
1 4 . 6 1 1 A 3 3 PHE C C 3 174.500 175.630 -1.130 1
1 5 . 6 1 1 A 3 3 PHE CA C 3 57.800 56.452 1.348 1
1 6 . 6 1 1 A 3 3 PHE CB C 3 39.600 43.814 -4.214 1
1 7 . 6 1 1 A 4 4 CYS H H 4 8.270 8.766 -0.496 1
1 8 . 6 1 1 A 4 4 CYS HA H 4 4.380 4.741 -0.361 1
1 11 . 6 1 1 A 4 4 CYS C C 4 173.800 173.950 -0.150 1
1 12 . 6 1 1 A 4 4 CYS CA C 4 58.100 58.807 -0.707 1
1 13 . 6 1 1 A 4 4 CYS CB C 4 28.100 28.736 -0.636 1
1 14 . 6 1 1 A 4 4 CYS N N 4 122.600 119.810 2.790 1
1 15 . 6 1 1 A 5 5 SER H H 5 8.250 8.890 -0.640 1
1 16 . 6 1 1 A 5 5 SER HA H 5 4.270 5.175 -0.905 1
1 19 . 6 1 1 A 5 5 SER C C 5 173.700 172.776 0.924 1
1 20 . 6 1 1 A 5 5 SER CA C 5 58.300 57.424 0.876 1
1 21 . 6 1 1 A 5 5 SER CB C 5 63.700 66.170 -2.470 1
1 22 . 6 1 1 A 5 5 SER N N 5 119.600 114.888 4.712 1
1 23 . 6 1 1 A 6 6 PHE H H 6 8.010 8.922 -0.912 1
1 24 . 6 1 1 A 6 6 PHE HA H 6 4.560 5.441 -0.881 1
1 28 . 6 1 1 A 6 6 PHE C C 6 173.700 174.107 -0.407 1
1 29 . 6 1 1 A 6 6 PHE CA C 6 57.600 55.320 2.280 1
1 30 . 6 1 1 A 6 6 PHE CB C 6 39.700 41.463 -1.763 1
1 31 . 6 1 1 A 6 6 PHE N N 6 122.500 122.338 0.162 1
1 32 . 6 1 1 A 7 7 PHE H H 7 8.230 8.942 -0.712 1
1 33 . 6 1 1 A 7 7 PHE HA H 7 4.530 4.588 -0.058 1
1 36 . 6 1 1 A 7 7 PHE C C 7 175.800 175.108 0.692 1
1 37 . 6 1 1 A 7 7 PHE CA C 7 57.600 58.331 -0.731 1
1 38 . 6 1 1 A 7 7 PHE CB C 7 39.700 39.882 -0.182 1
1 39 . 6 1 1 A 7 7 PHE N N 7 123.000 119.202 3.798 1
1 40 . 6 1 1 A 8 8 GLY H H 8 7.870 8.006 -0.136 1
1 41 . 6 1 1 A 8 8 GLY HA2 H 8 3.800 3.857 -0.057 1
1 42 . 6 1 1 A 8 8 GLY HA3 H 8 3.750 3.873 -0.123 1
1 43 . 6 1 1 A 8 8 GLY C C 8 174.300 175.214 -0.914 1
1 44 . 6 1 1 A 8 8 GLY CA C 8 45.300 45.576 -0.276 1
1 45 . 6 1 1 A 8 8 GLY N N 8 111.200 109.516 1.684 1
1 46 . 6 1 1 A 9 9 GLY H H 9 7.930 7.785 0.145 1
1 47 . 6 1 1 A 9 9 GLY HA2 H 9 3.920 4.167 -0.247 1
1 48 . 6 1 1 A 9 9 GLY HA3 H 9 3.850 4.199 -0.349 1
1 49 . 6 1 1 A 9 9 GLY C C 9 175.200 172.950 2.250 1
1 50 . 6 1 1 A 9 9 GLY CA C 9 45.100 44.816 0.284 1
1 51 . 6 1 1 A 9 9 GLY N N 9 108.400 105.725 2.675 1
1 52 . 6 1 1 A 10 10 GLU H H 10 8.400 8.691 -0.291 1
1 53 . 6 1 1 A 10 10 GLU HA H 10 4.360 5.165 -0.805 1
1 58 . 6 1 1 A 10 10 GLU C C 10 178.400 175.551 2.849 1
1 59 . 6 1 1 A 10 10 GLU CA C 10 54.700 55.106 -0.406 1
1 60 . 6 1 1 A 10 10 GLU CB C 10 36.700 33.389 3.311 1
1 62 . 6 1 1 A 10 10 GLU N N 10 122.600 125.101 -2.501 1
1 63 . 6 1 1 A 11 11 VAL H H 11 7.940 9.050 -1.110 1
1 64 . 6 1 1 A 11 11 VAL HA H 11 3.680 4.519 -0.839 1
1 72 . 6 1 1 A 11 11 VAL C C 11 176.600 176.465 0.135 1
1 73 . 6 1 1 A 11 11 VAL CA C 11 63.800 61.647 2.153 1
1 74 . 6 1 1 A 11 11 VAL CB C 11 31.200 33.018 -1.818 1
1 77 . 6 1 1 A 11 11 VAL N N 11 120.300 125.553 -5.253 1
1 78 . 6 1 1 A 12 12 PHE H H 12 7.730 8.345 -0.615 1
1 79 . 6 1 1 A 12 12 PHE HA H 12 5.200 4.684 0.516 1
1 83 . 6 1 1 A 12 12 PHE C C 12 177.100 176.344 0.756 1
1 84 . 6 1 1 A 12 12 PHE CA C 12 55.700 57.489 -1.789 1
1 85 . 6 1 1 A 12 12 PHE CB C 12 38.200 38.418 -0.218 1
1 86 . 6 1 1 A 12 12 PHE N N 12 113.700 121.113 -7.413 1
1 87 . 6 1 1 A 13 13 GLN H H 13 8.080 7.809 0.271 1
1 88 . 6 1 1 A 13 13 GLN HA H 13 3.270 4.113 -0.843 1
1 95 . 6 1 1 A 13 13 GLN C C 13 175.400 177.591 -2.191 1
1 96 . 6 1 1 A 13 13 GLN CA C 13 62.100 58.579 3.521 1
1 97 . 6 1 1 A 13 13 GLN CB C 13 27.100 29.043 -1.943 1
1 99 . 6 1 1 A 13 13 GLN N N 13 126.400 120.287 6.113 1
1 100 . 6 1 1 A 14 14 ASN H H 14 8.580 7.607 0.973 1
1 101 . 6 1 1 A 14 14 ASN HA H 14 5.010 4.724 0.286 1
1 106 . 6 1 1 A 14 14 ASN C C 14 173.000 175.973 -2.973 1
1 107 . 6 1 1 A 14 14 ASN CA C 14 51.500 54.589 -3.089 1
1 108 . 6 1 1 A 14 14 ASN CB C 14 37.900 39.413 -1.513 1
1 109 . 6 1 1 A 14 14 ASN N N 14 115.900 116.217 -0.317 1
1 111 . 6 1 1 A 15 15 HIS H H 15 6.070 7.563 -1.493 1
1 112 . 6 1 1 A 15 15 HIS HA H 15 4.370 4.334 0.036 1
1 117 . 6 1 1 A 15 15 HIS C C 15 174.400 175.881 -1.481 1
1 118 . 6 1 1 A 15 15 HIS CA C 15 56.600 56.746 -0.146 1
1 119 . 6 1 1 A 15 15 HIS CB C 15 33.400 29.820 3.580 1
1 120 . 6 1 1 A 15 15 HIS N N 15 120.500 118.137 2.363 1
1 121 . 6 1 1 A 16 16 PHE H H 16 8.880 7.880 1.000 1
1 122 . 6 1 1 A 16 16 PHE HA H 16 4.870 4.644 0.226 1
1 125 . 6 1 1 A 16 16 PHE C C 16 174.300 175.683 -1.383 1
1 126 . 6 1 1 A 16 16 PHE CA C 16 57.100 57.543 -0.443 1
1 127 . 6 1 1 A 16 16 PHE CB C 16 39.700 39.204 0.496 1
1 128 . 6 1 1 A 16 16 PHE N N 16 127.200 120.719 6.481 1
1 129 . 6 1 1 A 17 17 GLU H H 17 5.780 7.423 -1.643 1
1 130 . 6 1 1 A 17 17 GLU HA H 17 4.500 4.524 -0.024 1
1 135 . 6 1 1 A 17 17 GLU C C 17 174.300 174.636 -0.336 1
1 136 . 6 1 1 A 17 17 GLU CA C 17 53.500 55.121 -1.621 1
1 137 . 6 1 1 A 17 17 GLU CB C 17 30.700 28.361 2.339 1
1 139 . 6 1 1 A 17 17 GLU N N 17 119.900 121.073 -1.173 1
1 140 . 6 1 1 A 18 18 PRO HA H 18 4.630 4.621 0.009 1
1 147 . 6 1 1 A 18 18 PRO C C 18 178.100 175.800 2.300 1
1 148 . 6 1 1 A 18 18 PRO CA C 18 62.700 63.161 -0.461 1
1 149 . 6 1 1 A 18 18 PRO CB C 18 31.400 33.454 -2.054 1
1 152 . 6 1 1 A 19 19 GLY H H 19 8.820 8.224 0.596 1
1 153 . 6 1 1 A 19 19 GLY HA2 H 19 4.500 3.759 0.741 1
1 154 . 6 1 1 A 19 19 GLY HA3 H 19 3.630 3.985 -0.355 1
1 155 . 6 1 1 A 19 19 GLY C C 19 171.000 171.550 -0.550 1
1 156 . 6 1 1 A 19 19 GLY CA C 19 46.200 44.655 1.545 1
1 157 . 6 1 1 A 19 19 GLY N N 19 111.300 107.068 4.232 1
1 158 . 6 1 1 A 20 20 VAL H H 20 8.070 7.982 0.088 1
1 159 . 6 1 1 A 20 20 VAL HA H 20 4.750 4.991 -0.241 1
1 167 . 6 1 1 A 20 20 VAL C C 20 172.300 173.772 -1.472 1
1 168 . 6 1 1 A 20 20 VAL CA C 20 60.200 60.199 0.001 1
1 169 . 6 1 1 A 20 20 VAL CB C 20 36.100 35.856 0.244 1
1 172 . 6 1 1 A 20 20 VAL N N 20 120.700 118.835 1.865 1
1 173 . 6 1 1 A 21 21 TYR H H 21 9.560 8.633 0.927 1
1 174 . 6 1 1 A 21 21 TYR HA H 21 5.230 5.449 -0.219 1
1 177 . 6 1 1 A 21 21 TYR C C 21 175.600 175.517 0.083 1
1 178 . 6 1 1 A 21 21 TYR CA C 21 56.800 56.397 0.403 1
1 179 . 6 1 1 A 21 21 TYR CB C 21 39.200 41.439 -2.239 1
1 180 . 6 1 1 A 21 21 TYR N N 21 123.200 121.982 1.218 1
1 181 . 6 1 1 A 22 22 VAL H H 22 9.400 8.682 0.718 1
1 182 . 6 1 1 A 22 22 VAL HA H 22 4.950 5.241 -0.291 1
1 190 . 6 1 1 A 22 22 VAL C C 22 174.000 174.550 -0.550 1
1 191 . 6 1 1 A 22 22 VAL CA C 22 57.100 59.201 -2.101 1
1 192 . 6 1 1 A 22 22 VAL CB C 22 33.900 35.836 -1.936 1
1 195 . 6 1 1 A 22 22 VAL N N 22 119.100 116.487 2.613 1
1 196 . 6 1 1 A 23 23 CYS H H 23 9.020 8.839 0.181 1
1 197 . 6 1 1 A 23 23 CYS HA H 23 4.260 4.604 -0.344 1
1 200 . 6 1 1 A 23 23 CYS C C 23 178.700 175.824 2.876 1
1 201 . 6 1 1 A 23 23 CYS CA C 23 60.600 59.515 1.085 1
1 202 . 6 1 1 A 23 23 CYS CB C 23 31.700 28.813 2.887 1
1 203 . 6 1 1 A 23 23 CYS N N 23 123.800 121.978 1.822 1
1 204 . 6 1 1 A 24 24 ALA H H 24 8.760 9.109 -0.349 1
1 205 . 6 1 1 A 24 24 ALA HA H 24 3.840 4.096 -0.256 1
1 209 . 6 1 1 A 24 24 ALA C C 24 177.500 179.545 -2.045 1
1 210 . 6 1 1 A 24 24 ALA CA C 24 55.000 55.503 -0.503 1
1 211 . 6 1 1 A 24 24 ALA CB C 24 18.700 18.804 -0.104 1
1 212 . 6 1 1 A 24 24 ALA N N 24 131.900 129.156 2.744 1
1 213 . 6 1 1 A 25 25 LYS H H 25 9.200 8.058 1.142 1
1 214 . 6 1 1 A 25 25 LYS HA H 25 4.380 4.139 0.241 1
1 222 . 6 1 1 A 25 25 LYS C C 25 178.100 179.047 -0.947 1
1 223 . 6 1 1 A 25 25 LYS CA C 25 57.900 58.715 -0.815 1
1 224 . 6 1 1 A 25 25 LYS CB C 25 33.500 32.957 0.543 1
1 228 . 6 1 1 A 25 25 LYS N N 25 120.000 117.025 2.975 1
1 229 . 6 1 1 A 26 26 CYS H H 26 8.730 8.020 0.710 1
1 230 . 6 1 1 A 26 26 CYS HA H 26 5.000 4.286 0.714 1
1 233 . 6 1 1 A 26 26 CYS C C 26 177.000 175.256 1.744 1
1 234 . 6 1 1 A 26 26 CYS CA C 26 59.400 62.319 -2.919 1
1 235 . 6 1 1 A 26 26 CYS CB C 26 32.900 27.614 5.286 1
1 236 . 6 1 1 A 26 26 CYS N N 26 120.900 118.576 2.324 1
1 237 . 6 1 1 A 27 27 SER H H 27 8.170 8.179 -0.009 1
1 238 . 6 1 1 A 27 27 SER HA H 27 4.140 4.444 -0.304 1
1 241 . 6 1 1 A 27 27 SER C C 27 174.800 173.756 1.044 1
1 242 . 6 1 1 A 27 27 SER CA C 27 60.900 59.411 1.489 1
1 243 . 6 1 1 A 27 27 SER CB C 27 61.600 61.074 0.526 1
1 244 . 6 1 1 A 27 27 SER N N 27 115.800 115.382 0.418 1
1 245 . 6 1 1 A 28 28 TYR H H 28 9.010 8.001 1.009 1
1 246 . 6 1 1 A 28 28 TYR HA H 28 4.420 4.595 -0.175 1
1 249 . 6 1 1 A 28 28 TYR C C 28 176.600 175.151 1.449 1
1 250 . 6 1 1 A 28 28 TYR CA C 28 59.300 57.663 1.637 1
1 251 . 6 1 1 A 28 28 TYR CB C 28 39.600 38.776 0.824 1
1 252 . 6 1 1 A 28 28 TYR N N 28 127.100 123.081 4.019 1
1 253 . 6 1 1 A 29 29 GLU H H 29 7.730 8.725 -0.995 1
1 254 . 6 1 1 A 29 29 GLU HA H 29 3.670 4.826 -1.156 1
1 259 . 6 1 1 A 29 29 GLU C C 29 174.900 176.722 -1.822 1
1 260 . 6 1 1 A 29 29 GLU CA C 29 58.700 56.861 1.839 1
1 261 . 6 1 1 A 29 29 GLU CB C 29 29.800 29.984 -0.184 1
1 263 . 6 1 1 A 29 29 GLU N N 29 124.500 127.061 -2.561 1
1 264 . 6 1 1 A 30 30 LEU H H 30 7.940 8.976 -1.036 1
1 265 . 6 1 1 A 30 30 LEU HA H 30 4.140 5.169 -1.029 1
1 274 . 6 1 1 A 30 30 LEU C C 30 175.400 175.545 -0.145 1
1 275 . 6 1 1 A 30 30 LEU CA C 30 56.200 53.560 2.640 1
1 276 . 6 1 1 A 30 30 LEU CB C 30 46.700 45.418 1.282 1
1 277 . 6 1 1 A 30 30 LEU N N 30 121.800 121.728 0.072 1
1 278 . 6 1 1 A 31 31 PHE H H 31 7.880 8.762 -0.882 1
1 279 . 6 1 1 A 31 31 PHE HA H 31 4.720 4.723 -0.003 1
1 282 . 6 1 1 A 31 31 PHE C C 31 174.600 173.542 1.058 1
1 283 . 6 1 1 A 31 31 PHE CA C 31 56.600 58.286 -1.686 1
1 284 . 6 1 1 A 31 31 PHE CB C 31 45.300 42.162 3.138 1
1 285 . 6 1 1 A 31 31 PHE N N 31 113.300 122.409 -9.109 1
1 286 . 6 1 1 A 32 32 SER H H 32 10.030 8.374 1.656 1
1 287 . 6 1 1 A 32 32 SER HA H 32 4.860 4.766 0.094 1
1 290 . 6 1 1 A 32 32 SER CA C 32 57.000 57.995 -0.995 1
1 291 . 6 1 1 A 32 32 SER CB C 32 63.700 64.140 -0.440 1
1 292 . 6 1 1 A 32 32 SER N N 32 118.700 123.043 -4.343 1
1 293 . 6 1 1 A 33 33 SER H H 33 8.990 9.174 -0.184 1
1 294 . 6 1 1 A 33 33 SER HA H 33 4.840 4.441 0.399 1
1 297 . 6 1 1 A 33 33 SER C C 33 177.300 175.118 2.182 1
1 298 . 6 1 1 A 33 33 SER CA C 33 63.700 60.257 3.443 1
1 299 . 6 1 1 A 33 33 SER CB C 33 63.700 63.627 0.073 1
1 300 . 6 1 1 A 33 33 SER N N 33 123.100 120.009 3.091 1
1 301 . 6 1 1 A 34 34 HIS HA H 34 4.710 4.615 0.095 1
1 304 . 6 1 1 A 34 34 HIS C C 34 175.800 176.964 -1.164 1
1 305 . 6 1 1 A 34 34 HIS CA C 34 57.900 58.505 -0.605 1
1 306 . 6 1 1 A 34 34 HIS CB C 34 28.600 29.692 -1.092 1
1 307 . 6 1 1 A 35 35 SER H H 35 7.960 7.263 0.697 1
1 308 . 6 1 1 A 35 35 SER HA H 35 4.820 4.037 0.783 1
1 311 . 6 1 1 A 35 35 SER C C 35 173.200 173.753 -0.553 1
1 312 . 6 1 1 A 35 35 SER CA C 35 58.100 60.691 -2.591 1
1 313 . 6 1 1 A 35 35 SER CB C 35 65.300 62.756 2.544 1
1 314 . 6 1 1 A 35 35 SER N N 35 114.500 113.156 1.344 1
1 315 . 6 1 1 A 36 36 LYS H H 36 7.630 7.416 0.214 1
1 316 . 6 1 1 A 36 36 LYS HA H 36 4.890 4.793 0.097 1
1 322 . 6 1 1 A 36 36 LYS C C 36 176.100 174.273 1.827 1
1 323 . 6 1 1 A 36 36 LYS CA C 36 55.400 54.851 0.549 1
1 324 . 6 1 1 A 36 36 LYS CB C 36 35.400 35.955 -0.555 1
1 328 . 6 1 1 A 36 36 LYS N N 36 126.900 120.416 6.484 1
1 329 . 6 1 1 A 37 37 TYR H H 37 8.440 9.130 -0.690 1
1 330 . 6 1 1 A 37 37 TYR HA H 37 5.100 5.243 -0.143 1
1 333 . 6 1 1 A 37 37 TYR C C 37 172.800 174.862 -2.062 1
1 334 . 6 1 1 A 37 37 TYR CA C 37 55.400 56.633 -1.233 1
1 335 . 6 1 1 A 37 37 TYR CB C 37 41.000 43.450 -2.450 1
1 336 . 6 1 1 A 37 37 TYR N N 37 124.200 123.718 0.482 1
1 337 . 6 1 1 A 38 38 ALA H H 38 8.590 8.677 -0.087 1
1 338 . 6 1 1 A 38 38 ALA HA H 38 4.630 5.196 -0.566 1
1 342 . 6 1 1 A 38 38 ALA C C 38 175.900 176.851 -0.951 1
1 343 . 6 1 1 A 38 38 ALA CA C 38 52.500 50.551 1.949 1
1 344 . 6 1 1 A 38 38 ALA CB C 38 18.300 20.813 -2.513 1
1 345 . 6 1 1 A 38 38 ALA N N 38 125.100 123.690 1.410 1
1 346 . 6 1 1 A 39 39 HIS H H 39 8.080 8.870 -0.790 1
1 347 . 6 1 1 A 39 39 HIS HA H 39 4.620 5.033 -0.413 1
1 352 . 6 1 1 A 39 39 HIS C C 39 174.100 172.918 1.182 1
1 353 . 6 1 1 A 39 39 HIS CA C 39 57.000 55.941 1.059 1
1 354 . 6 1 1 A 39 39 HIS CB C 39 34.600 33.088 1.512 1
1 355 . 6 1 1 A 39 39 HIS N N 39 125.600 121.534 4.066 1
1 356 . 6 1 1 A 40 40 SER H H 40 6.860 8.504 -1.644 1
1 357 . 6 1 1 A 40 40 SER HA H 40 4.060 4.993 -0.933 1
1 360 . 6 1 1 A 40 40 SER C C 40 174.900 173.557 1.343 1
1 361 . 6 1 1 A 40 40 SER CA C 40 58.800 57.552 1.248 1
1 362 . 6 1 1 A 40 40 SER CB C 40 62.700 63.961 -1.261 1
1 363 . 6 1 1 A 40 40 SER N N 40 118.700 119.679 -0.979 1
1 364 . 6 1 1 A 41 41 SER H H 41 9.140 8.832 0.308 1
1 365 . 6 1 1 A 41 41 SER HA H 41 4.480 4.869 -0.389 1
1 368 . 6 1 1 A 41 41 SER C C 41 173.600 171.726 1.874 1
1 369 . 6 1 1 A 41 41 SER CA C 41 57.800 56.993 0.807 1
1 370 . 6 1 1 A 41 41 SER CB C 41 63.600 66.709 -3.109 1
1 371 . 6 1 1 A 41 41 SER N N 41 122.500 120.530 1.970 1
1 372 . 6 1 1 A 42 42 PRO HA H 42 4.040 4.199 -0.159 1
1 379 . 6 1 1 A 42 42 PRO C C 42 174.900 176.550 -1.650 1
1 380 . 6 1 1 A 42 42 PRO CA C 42 63.700 62.565 1.135 1
1 381 . 6 1 1 A 42 42 PRO CB C 42 31.500 32.221 -0.721 1
1 384 . 6 1 1 A 43 43 TRP H H 43 6.590 7.894 -1.304 1
1 385 . 6 1 1 A 43 43 TRP HA H 43 4.850 4.019 0.831 1
1 394 . 6 1 1 A 43 43 TRP C C 43 174.100 174.938 -0.838 1
1 395 . 6 1 1 A 43 43 TRP CA C 43 57.300 57.650 -0.350 1
1 396 . 6 1 1 A 43 43 TRP CB C 43 29.500 27.407 2.093 1
1 397 . 6 1 1 A 43 43 TRP N N 43 113.900 117.089 -3.189 1
1 399 . 6 1 1 A 44 44 PRO HA H 44 3.810 4.792 -0.982 1
1 405 . 6 1 1 A 44 44 PRO C C 44 174.800 176.230 -1.430 1
1 406 . 6 1 1 A 44 44 PRO CA C 44 63.200 62.976 0.224 1
1 407 . 6 1 1 A 44 44 PRO CB C 44 32.200 32.180 0.020 1
1 410 . 6 1 1 A 45 45 ALA H H 45 7.850 8.306 -0.456 1
1 411 . 6 1 1 A 45 45 ALA HA H 45 5.260 4.516 0.744 1
1 415 . 6 1 1 A 45 45 ALA C C 45 174.800 175.348 -0.548 1
1 416 . 6 1 1 A 45 45 ALA CA C 45 50.100 50.567 -0.467 1
1 417 . 6 1 1 A 45 45 ALA CB C 45 20.800 24.042 -3.242 1
1 418 . 6 1 1 A 45 45 ALA N N 45 126.700 121.418 5.282 1
1 419 . 6 1 1 A 46 46 PHE H H 46 8.080 8.013 0.067 1
1 420 . 6 1 1 A 46 46 PHE HA H 46 5.860 4.980 0.880 1
1 424 . 6 1 1 A 46 46 PHE C C 46 177.800 175.793 2.007 1
1 425 . 6 1 1 A 46 46 PHE CA C 46 54.800 56.944 -2.144 1
1 426 . 6 1 1 A 46 46 PHE CB C 46 44.500 41.631 2.869 1
1 427 . 6 1 1 A 46 46 PHE N N 46 115.600 115.910 -0.310 1
1 428 . 6 1 1 A 47 47 THR H H 47 9.190 8.729 0.461 1
1 429 . 6 1 1 A 47 47 THR HA H 47 5.220 4.168 1.052 1
1 434 . 6 1 1 A 47 47 THR C C 47 175.000 174.821 0.179 1
1 435 . 6 1 1 A 47 47 THR CA C 47 63.000 66.070 -3.070 1
1 436 . 6 1 1 A 47 47 THR CB C 47 70.500 68.556 1.944 1
1 438 . 6 1 1 A 47 47 THR N N 47 109.900 117.757 -7.857 1
1 439 . 6 1 1 A 48 48 GLU H H 48 7.320 7.370 -0.050 1
1 440 . 6 1 1 A 48 48 GLU HA H 48 4.920 4.767 0.153 1
1 445 . 6 1 1 A 48 48 GLU C C 48 175.400 174.313 1.087 1
1 446 . 6 1 1 A 48 48 GLU CA C 48 55.200 54.579 0.621 1
1 447 . 6 1 1 A 48 48 GLU CB C 48 31.900 32.765 -0.865 1
1 449 . 6 1 1 A 48 48 GLU N N 48 115.400 118.858 -3.458 1
1 450 . 6 1 1 A 49 49 THR H H 49 8.150 8.425 -0.275 1
1 451 . 6 1 1 A 49 49 THR HA H 49 4.090 4.777 -0.687 1
1 456 . 6 1 1 A 49 49 THR C C 49 175.800 175.428 0.372 1
1 457 . 6 1 1 A 49 49 THR CA C 49 60.000 59.271 0.729 1
1 458 . 6 1 1 A 49 49 THR CB C 49 70.400 71.338 -0.938 1
1 460 . 6 1 1 A 49 49 THR N N 49 111.400 109.778 1.622 1
1 461 . 6 1 1 A 50 50 ILE H H 50 7.720 8.769 -1.049 1
1 462 . 6 1 1 A 50 50 ILE HA H 50 3.630 3.684 -0.054 1
1 472 . 6 1 1 A 50 50 ILE C C 50 174.500 175.908 -1.408 1
1 473 . 6 1 1 A 50 50 ILE CA C 50 64.100 63.090 1.010 1
1 474 . 6 1 1 A 50 50 ILE CB C 50 38.700 38.050 0.650 1
1 478 . 6 1 1 A 50 50 ILE N N 50 121.700 122.082 -0.382 1
1 479 . 6 1 1 A 51 51 HIS H H 51 7.400 7.903 -0.503 1
1 480 . 6 1 1 A 51 51 HIS HA H 51 5.300 4.122 1.178 1
1 484 . 6 1 1 A 51 51 HIS C C 51 175.500 174.602 0.898 1
1 485 . 6 1 1 A 51 51 HIS CA C 51 51.800 56.699 -4.899 1
1 486 . 6 1 1 A 51 51 HIS CB C 51 29.700 27.916 1.784 1
1 487 . 6 1 1 A 51 51 HIS N N 51 115.500 120.191 -4.691 1
1 488 . 6 1 1 A 52 52 PRO HA H 52 4.350 4.271 0.079 1
1 495 . 6 1 1 A 52 52 PRO C C 52 176.900 175.600 1.300 1
1 496 . 6 1 1 A 52 52 PRO CA C 52 64.800 62.685 2.115 1
1 497 . 6 1 1 A 52 52 PRO CB C 52 31.300 32.364 -1.064 1
1 500 . 6 1 1 A 53 53 ASP H H 53 8.070 8.205 -0.135 1
1 501 . 6 1 1 A 53 53 ASP HA H 53 4.760 4.562 0.198 1
1 504 . 6 1 1 A 53 53 ASP C C 53 176.900 176.197 0.703 1
1 505 . 6 1 1 A 53 53 ASP CA C 53 52.100 53.676 -1.576 1
1 506 . 6 1 1 A 53 53 ASP CB C 53 39.700 40.464 -0.764 1
1 507 . 6 1 1 A 53 53 ASP N N 53 114.300 120.463 -6.163 1
1 508 . 6 1 1 A 54 54 SER H H 54 7.720 8.005 -0.285 1
1 509 . 6 1 1 A 54 54 SER HA H 54 4.040 4.603 -0.563 1
1 512 . 6 1 1 A 54 54 SER C C 54 173.200 173.945 -0.745 1
1 513 . 6 1 1 A 54 54 SER CA C 54 64.100 58.633 5.467 1
1 514 . 6 1 1 A 54 54 SER CB C 54 64.200 64.054 0.146 1
1 515 . 6 1 1 A 54 54 SER N N 54 116.300 114.185 2.115 1
1 516 . 6 1 1 A 55 55 VAL H H 55 7.360 7.233 0.127 1
1 517 . 6 1 1 A 55 55 VAL HA H 55 5.280 4.818 0.462 1
1 525 . 6 1 1 A 55 55 VAL C C 55 175.700 174.088 1.612 1
1 526 . 6 1 1 A 55 55 VAL CA C 55 57.300 59.749 -2.449 1
1 527 . 6 1 1 A 55 55 VAL CB C 55 34.800 34.416 0.384 1
1 530 . 6 1 1 A 55 55 VAL N N 55 105.200 117.089 -11.889 1
1 531 . 6 1 1 A 56 56 THR H H 56 8.780 8.893 -0.113 1
1 532 . 6 1 1 A 56 56 THR HA H 56 4.530 5.099 -0.569 1
1 537 . 6 1 1 A 56 56 THR C C 56 173.800 173.327 0.473 1
1 538 . 6 1 1 A 56 56 THR CA C 56 60.500 59.620 0.880 1
1 539 . 6 1 1 A 56 56 THR CB C 56 70.400 71.615 -1.215 1
1 541 . 6 1 1 A 56 56 THR N N 56 116.000 117.513 -1.513 1
1 542 . 6 1 1 A 57 57 LYS H H 57 8.610 8.969 -0.359 1
1 543 . 6 1 1 A 57 57 LYS HA H 57 5.490 5.296 0.194 1
1 550 . 6 1 1 A 57 57 LYS C C 57 176.000 175.219 0.781 1
1 551 . 6 1 1 A 57 57 LYS CA C 57 54.600 54.193 0.407 1
1 552 . 6 1 1 A 57 57 LYS CB C 57 36.000 36.579 -0.579 1
1 556 . 6 1 1 A 57 57 LYS N N 57 121.900 124.597 -2.697 1
1 557 . 6 1 1 A 58 58 CYS H H 58 8.610 8.930 -0.320 1
1 558 . 6 1 1 A 58 58 CYS HA H 58 5.100 5.069 0.031 1
1 561 . 6 1 1 A 58 58 CYS CA C 58 55.200 56.258 -1.058 1
1 562 . 6 1 1 A 58 58 CYS CB C 58 29.700 30.678 -0.978 1
1 563 . 6 1 1 A 58 58 CYS N N 58 120.600 117.722 2.878 1
1 564 . 6 1 1 A 59 59 PRO HA H 59 4.590 4.510 0.080 1
1 571 . 6 1 1 A 59 59 PRO C C 59 176.600 176.723 -0.123 1
1 572 . 6 1 1 A 59 59 PRO CA C 59 63.700 62.353 1.347 1
1 573 . 6 1 1 A 59 59 PRO CB C 59 32.100 31.974 0.126 1
1 576 . 6 1 1 A 60 60 GLU H H 60 8.630 8.035 0.595 1
1 577 . 6 1 1 A 60 60 GLU HA H 60 4.450 4.519 -0.069 1
1 582 . 6 1 1 A 60 60 GLU C C 60 176.900 176.928 -0.028 1
1 583 . 6 1 1 A 60 60 GLU CA C 60 55.700 56.333 -0.633 1
1 584 . 6 1 1 A 60 60 GLU CB C 60 30.500 30.539 -0.039 1
1 586 . 6 1 1 A 60 60 GLU N N 60 123.900 121.098 2.802 1
1 587 . 6 1 1 A 61 61 LYS H H 61 8.780 8.517 0.263 1
1 588 . 6 1 1 A 61 61 LYS HA H 61 3.930 4.596 -0.666 1
1 596 . 6 1 1 A 61 61 LYS C C 61 177.100 177.470 -0.370 1
1 597 . 6 1 1 A 61 61 LYS CA C 61 58.300 56.298 2.002 1
1 598 . 6 1 1 A 61 61 LYS CB C 61 31.900 34.322 -2.422 1
1 602 . 6 1 1 A 61 61 LYS N N 61 127.000 119.344 7.656 1
1 603 . 6 1 1 A 62 62 ASN H H 62 8.870 8.253 0.617 1
1 604 . 6 1 1 A 62 62 ASN HA H 62 4.520 4.808 -0.288 1
1 609 . 6 1 1 A 62 62 ASN C C 62 174.400 175.364 -0.964 1
1 610 . 6 1 1 A 62 62 ASN CA C 62 54.000 52.746 1.254 1
1 611 . 6 1 1 A 62 62 ASN CB C 62 38.000 38.741 -0.741 1
1 612 . 6 1 1 A 62 62 ASN N N 62 117.000 114.559 2.441 1
1 613 . 6 1 1 A 63 63 ARG H H 63 7.430 7.669 -0.239 1
1 614 . 6 1 1 A 63 63 ARG HA H 63 4.810 4.790 0.020 1
1 622 . 6 1 1 A 63 63 ARG C C 63 172.300 174.138 -1.838 1
1 623 . 6 1 1 A 63 63 ARG CA C 63 53.800 53.615 0.185 1
1 624 . 6 1 1 A 63 63 ARG CB C 63 31.300 30.953 0.347 1
1 627 . 6 1 1 A 63 63 ARG N N 63 119.200 119.584 -0.384 1
1 629 . 6 1 1 A 64 64 PRO HA H 64 4.350 4.513 -0.163 1
1 636 . 6 1 1 A 64 64 PRO C C 64 176.900 175.774 1.126 1
1 637 . 6 1 1 A 64 64 PRO CA C 64 64.200 62.796 1.404 1
1 638 . 6 1 1 A 64 64 PRO CB C 64 31.800 29.591 2.209 1
1 641 . 6 1 1 A 65 65 GLU H H 65 9.210 8.616 0.594 1
1 642 . 6 1 1 A 65 65 GLU HA H 65 4.280 4.379 -0.099 1
1 647 . 6 1 1 A 65 65 GLU C C 65 174.300 174.876 -0.576 1
1 648 . 6 1 1 A 65 65 GLU CA C 65 56.600 55.863 0.737 1
1 649 . 6 1 1 A 65 65 GLU CB C 65 28.200 31.373 -3.173 1
1 651 . 6 1 1 A 65 65 GLU N N 65 117.000 120.243 -3.243 1
1 652 . 6 1 1 A 66 66 ALA H H 66 8.040 6.974 1.066 1
1 653 . 6 1 1 A 66 66 ALA HA H 66 5.230 4.143 1.087 1
1 657 . 6 1 1 A 66 66 ALA C C 66 174.900 174.886 0.014 1
1 658 . 6 1 1 A 66 66 ALA CA C 66 50.300 51.216 -0.916 1
1 659 . 6 1 1 A 66 66 ALA CB C 66 22.200 22.318 -0.118 1
1 660 . 6 1 1 A 66 66 ALA N N 66 124.800 120.355 4.445 1
1 661 . 6 1 1 A 67 67 LEU H H 67 8.710 8.129 0.581 1
1 662 . 6 1 1 A 67 67 LEU HA H 67 4.800 4.918 -0.118 1
1 672 . 6 1 1 A 67 67 LEU C C 67 177.200 175.640 1.560 1
1 673 . 6 1 1 A 67 67 LEU CA C 67 52.800 53.250 -0.450 1
1 674 . 6 1 1 A 67 67 LEU CB C 67 43.200 46.097 -2.897 1
1 678 . 6 1 1 A 67 67 LEU N N 67 120.400 118.743 1.657 1
1 679 . 6 1 1 A 68 68 LYS H H 68 9.180 8.758 0.422 1
1 680 . 6 1 1 A 68 68 LYS HA H 68 4.050 4.183 -0.133 1
1 689 . 6 1 1 A 68 68 LYS C C 68 176.900 175.685 1.215 1
1 690 . 6 1 1 A 68 68 LYS CA C 68 57.100 55.754 1.346 1
1 691 . 6 1 1 A 68 68 LYS CB C 68 32.600 33.691 -1.091 1
1 695 . 6 1 1 A 68 68 LYS N N 68 125.300 123.795 1.505 1
1 696 . 6 1 1 A 69 69 VAL H H 69 8.150 8.178 -0.028 1
1 697 . 6 1 1 A 69 69 VAL HA H 69 5.240 4.874 0.366 1
1 705 . 6 1 1 A 69 69 VAL C C 69 174.900 174.268 0.632 1
1 706 . 6 1 1 A 69 69 VAL CA C 69 59.900 60.446 -0.546 1
1 707 . 6 1 1 A 69 69 VAL CB C 69 34.700 35.616 -0.916 1
1 710 . 6 1 1 A 69 69 VAL N N 69 121.600 122.320 -0.720 1
1 711 . 6 1 1 A 70 70 SER H H 70 8.610 8.847 -0.237 1
1 712 . 6 1 1 A 70 70 SER HA H 70 5.210 5.025 0.185 1
1 715 . 6 1 1 A 70 70 SER C C 70 171.900 172.420 -0.520 1
1 716 . 6 1 1 A 70 70 SER CA C 70 56.600 56.908 -0.308 1
1 717 . 6 1 1 A 70 70 SER CB C 70 65.600 66.239 -0.639 1
1 718 . 6 1 1 A 70 70 SER N N 70 120.600 119.061 1.539 1
1 719 . 6 1 1 A 71 71 CYS H H 71 9.280 8.523 0.757 1
1 720 . 6 1 1 A 71 71 CYS HA H 71 4.130 4.577 -0.447 1
1 723 . 6 1 1 A 71 71 CYS C C 71 178.600 175.265 3.335 1
1 724 . 6 1 1 A 71 71 CYS CA C 71 61.600 58.003 3.597 1
1 725 . 6 1 1 A 71 71 CYS CB C 71 31.300 27.091 4.209 1
1 726 . 6 1 1 A 71 71 CYS N N 71 126.700 122.032 4.668 1
1 727 . 6 1 1 A 72 72 GLY H H 72 9.140 8.148 0.992 1
1 728 . 6 1 1 A 72 72 GLY HA2 H 72 3.760 3.865 -0.105 1
1 729 . 6 1 1 A 72 72 GLY HA3 H 72 3.670 3.868 -0.198 1
1 730 . 6 1 1 A 72 72 GLY C C 72 172.500 175.881 -3.381 1
1 731 . 6 1 1 A 72 72 GLY CA C 72 46.200 47.209 -1.009 1
1 732 . 6 1 1 A 72 72 GLY N N 72 120.100 113.736 6.364 1
1 733 . 6 1 1 A 73 73 LYS H H 73 9.090 8.099 0.991 1
1 734 . 6 1 1 A 73 73 LYS HA H 73 4.210 4.046 0.164 1
1 742 . 6 1 1 A 73 73 LYS C C 73 177.600 178.224 -0.624 1
1 743 . 6 1 1 A 73 73 LYS CA C 73 56.600 59.076 -2.476 1
1 744 . 6 1 1 A 73 73 LYS CB C 73 32.700 32.160 0.540 1
1 748 . 6 1 1 A 73 73 LYS N N 73 124.400 120.785 3.615 1
1 749 . 6 1 1 A 74 74 CYS H H 74 8.590 7.521 1.069 1
1 750 . 6 1 1 A 74 74 CYS HA H 74 4.910 4.580 0.330 1
1 753 . 6 1 1 A 74 74 CYS C C 74 177.400 175.386 2.014 1
1 754 . 6 1 1 A 74 74 CYS CA C 74 58.900 59.016 -0.116 1
1 755 . 6 1 1 A 74 74 CYS CB C 74 33.300 29.736 3.564 1
1 756 . 6 1 1 A 74 74 CYS N N 74 119.700 114.795 4.905 1
1 757 . 6 1 1 A 75 75 GLY H H 75 7.760 8.815 -1.055 1
1 758 . 6 1 1 A 75 75 GLY HA2 H 75 4.210 3.975 0.235 1
1 759 . 6 1 1 A 75 75 GLY HA3 H 75 3.750 3.977 -0.227 1
1 760 . 6 1 1 A 75 75 GLY C C 75 174.000 174.140 -0.140 1
1 761 . 6 1 1 A 75 75 GLY CA C 75 46.100 46.467 -0.367 1
1 762 . 6 1 1 A 75 75 GLY N N 75 113.000 110.873 2.127 1
1 763 . 6 1 1 A 76 76 ASN H H 76 9.050 7.831 1.219 1
1 764 . 6 1 1 A 76 76 ASN HA H 76 4.500 5.147 -0.647 1
1 769 . 6 1 1 A 76 76 ASN C C 76 178.700 173.996 4.704 1
1 770 . 6 1 1 A 76 76 ASN CA C 76 54.700 51.614 3.086 1
1 771 . 6 1 1 A 76 76 ASN CB C 76 39.800 40.662 -0.862 1
1 772 . 6 1 1 A 76 76 ASN N N 76 123.700 118.511 5.189 1
1 774 . 6 1 1 A 77 77 GLY H H 77 8.660 8.486 0.174 1
1 775 . 6 1 1 A 77 77 GLY HA2 H 77 3.970 4.178 -0.208 1
1 776 . 6 1 1 A 77 77 GLY HA3 H 77 3.710 4.189 -0.479 1
1 777 . 6 1 1 A 77 77 GLY C C 77 173.800 174.341 -0.541 1
1 778 . 6 1 1 A 77 77 GLY CA C 77 47.300 45.522 1.778 1
1 779 . 6 1 1 A 77 77 GLY N N 77 115.600 107.928 7.672 1
1 780 . 6 1 1 A 78 78 LEU H H 78 8.600 8.434 0.166 1
1 781 . 6 1 1 A 78 78 LEU HA H 78 4.810 4.496 0.314 1
1 791 . 6 1 1 A 78 78 LEU C C 78 173.800 176.455 -2.655 1
1 792 . 6 1 1 A 78 78 LEU CA C 78 54.900 53.832 1.068 1
1 793 . 6 1 1 A 78 78 LEU CB C 78 45.000 43.486 1.514 1
1 797 . 6 1 1 A 78 78 LEU N N 78 122.700 119.257 3.443 1
1 798 . 6 1 1 A 79 79 GLY H H 79 7.100 8.073 -0.973 1
1 799 . 6 1 1 A 79 79 GLY HA2 H 79 4.650 4.356 0.294 1
1 800 . 6 1 1 A 79 79 GLY HA3 H 79 3.020 4.443 -1.423 1
1 801 . 6 1 1 A 79 79 GLY C C 79 173.000 172.385 0.615 1
1 802 . 6 1 1 A 79 79 GLY CA C 79 44.900 44.290 0.610 1
1 803 . 6 1 1 A 79 79 GLY N N 79 102.400 107.944 -5.544 1
1 804 . 6 1 1 A 80 80 HIS H H 80 8.580 8.903 -0.323 1
1 805 . 6 1 1 A 80 80 HIS HA H 80 5.470 5.077 0.393 1
1 810 . 6 1 1 A 80 80 HIS C C 80 172.300 173.496 -1.196 1
1 811 . 6 1 1 A 80 80 HIS CA C 80 55.000 54.498 0.502 1
1 812 . 6 1 1 A 80 80 HIS CB C 80 34.500 33.895 0.605 1
1 813 . 6 1 1 A 80 80 HIS N N 80 122.400 120.751 1.649 1
1 814 . 6 1 1 A 81 81 GLU H H 81 9.260 9.120 0.140 1
1 815 . 6 1 1 A 81 81 GLU HA H 81 4.100 4.286 -0.186 1
1 820 . 6 1 1 A 81 81 GLU C C 81 174.300 174.574 -0.274 1
1 821 . 6 1 1 A 81 81 GLU CA C 81 54.700 55.450 -0.750 1
1 822 . 6 1 1 A 81 81 GLU CB C 81 31.600 31.601 -0.001 1
1 824 . 6 1 1 A 81 81 GLU N N 81 123.700 120.799 2.901 1
1 825 . 6 1 1 A 82 82 PHE H H 82 9.150 8.701 0.449 1
1 826 . 6 1 1 A 82 82 PHE HA H 82 5.080 4.766 0.314 1
1 830 . 6 1 1 A 82 82 PHE C C 82 174.300 174.224 0.076 1
1 831 . 6 1 1 A 82 82 PHE CA C 82 56.700 56.330 0.370 1
1 832 . 6 1 1 A 82 82 PHE CB C 82 38.800 38.448 0.352 1
1 833 . 6 1 1 A 82 82 PHE N N 82 126.900 129.346 -2.446 1
1 834 . 6 1 1 A 83 83 LEU H H 83 8.280 8.245 0.035 1
1 835 . 6 1 1 A 83 83 LEU HA H 83 4.100 4.626 -0.526 1
1 845 . 6 1 1 A 83 83 LEU C C 83 176.200 175.055 1.145 1
1 846 . 6 1 1 A 83 83 LEU CA C 83 55.500 53.718 1.782 1
1 847 . 6 1 1 A 83 83 LEU CB C 83 42.000 44.423 -2.423 1
1 849 . 6 1 1 A 83 83 LEU N N 83 126.900 126.423 0.477 1
1 850 . 6 1 1 A 84 84 ASN H H 84 9.260 8.774 0.486 1
1 851 . 6 1 1 A 84 84 ASN HA H 84 4.290 4.341 -0.051 1
1 856 . 6 1 1 A 84 84 ASN C C 84 174.400 174.278 0.122 1
1 857 . 6 1 1 A 84 84 ASN CA C 84 54.800 54.659 0.141 1
1 858 . 6 1 1 A 84 84 ASN CB C 84 37.900 36.871 1.029 1
1 859 . 6 1 1 A 84 84 ASN N N 84 116.900 120.190 -3.290 1
1 861 . 6 1 1 A 85 85 ASP H H 85 7.140 7.967 -0.827 1
1 862 . 6 1 1 A 85 85 ASP HA H 85 5.200 4.854 0.346 1
1 865 . 6 1 1 A 85 85 ASP C C 85 176.000 176.312 -0.312 1
1 866 . 6 1 1 A 85 85 ASP CA C 85 53.800 55.517 -1.717 1
1 867 . 6 1 1 A 85 85 ASP CB C 85 45.500 43.203 2.297 1
1 868 . 6 1 1 A 85 85 ASP N N 85 117.200 117.473 -0.273 1
1 869 . 6 1 1 A 86 86 GLY H H 86 8.230 8.037 0.193 1
1 870 . 6 1 1 A 86 86 GLY HA2 H 86 4.140 3.903 0.237 1
1 871 . 6 1 1 A 86 86 GLY HA3 H 86 3.280 3.949 -0.669 1
1 872 . 6 1 1 A 86 86 GLY C C 86 171.700 175.508 -3.808 1
1 873 . 6 1 1 A 86 86 GLY CA C 86 44.600 46.992 -2.392 1
1 874 . 6 1 1 A 86 86 GLY N N 86 107.600 106.873 0.727 1
1 875 . 6 1 1 A 87 87 PRO HA H 87 4.190 4.265 -0.075 1
1 882 . 6 1 1 A 87 87 PRO C C 87 177.000 177.588 -0.588 1
1 883 . 6 1 1 A 87 87 PRO CA C 87 65.200 65.332 -0.132 1
1 884 . 6 1 1 A 87 87 PRO CB C 87 31.700 31.816 -0.116 1
1 887 . 6 1 1 A 88 88 LYS H H 88 7.310 8.202 -0.892 1
1 888 . 6 1 1 A 88 88 LYS HA H 88 4.480 4.455 0.025 1
1 897 . 6 1 1 A 88 88 LYS C C 88 175.700 176.539 -0.839 1
1 898 . 6 1 1 A 88 88 LYS CA C 88 53.700 56.975 -3.275 1
1 899 . 6 1 1 A 88 88 LYS CB C 88 34.900 34.577 0.323 1
1 903 . 6 1 1 A 88 88 LYS N N 88 116.200 115.376 0.824 1
1 904 . 6 1 1 A 89 89 ARG H H 89 8.320 7.874 0.446 1
1 905 . 6 1 1 A 89 89 ARG HA H 89 4.010 4.426 -0.416 1
1 912 . 6 1 1 A 89 89 ARG C C 89 177.500 177.593 -0.093 1
1 913 . 6 1 1 A 89 89 ARG CA C 89 57.900 56.374 1.526 1
1 914 . 6 1 1 A 89 89 ARG CB C 89 32.100 31.219 0.881 1
1 917 . 6 1 1 A 89 89 ARG N N 89 122.200 119.390 2.810 1
1 919 . 6 1 1 A 90 90 GLY H H 90 8.950 8.633 0.317 1
1 920 . 6 1 1 A 90 90 GLY HA2 H 90 4.240 3.975 0.265 1
1 921 . 6 1 1 A 90 90 GLY HA3 H 90 3.850 3.987 -0.137 1
1 922 . 6 1 1 A 90 90 GLY C C 90 175.000 174.143 0.857 1
1 923 . 6 1 1 A 90 90 GLY CA C 90 45.100 45.371 -0.271 1
1 924 . 6 1 1 A 90 90 GLY N N 90 115.100 111.810 3.290 1
1 925 . 6 1 1 A 91 91 GLN H H 91 8.120 7.841 0.279 1
1 926 . 6 1 1 A 91 91 GLN HA H 91 4.580 4.507 0.073 1
1 933 . 6 1 1 A 91 91 GLN C C 91 177.000 175.390 1.610 1
1 934 . 6 1 1 A 91 91 GLN CA C 91 55.900 55.770 0.130 1
1 935 . 6 1 1 A 91 91 GLN CB C 91 31.000 30.116 0.884 1
1 937 . 6 1 1 A 91 91 GLN N N 91 120.900 120.435 0.465 1
1 938 . 6 1 1 A 92 92 SER H H 92 9.210 8.962 0.248 1
1 939 . 6 1 1 A 92 92 SER HA H 92 4.820 5.219 -0.399 1
1 942 . 6 1 1 A 92 92 SER C C 92 171.600 172.846 -1.246 1
1 943 . 6 1 1 A 92 92 SER CA C 92 57.700 57.917 -0.217 1
1 944 . 6 1 1 A 92 92 SER CB C 92 65.200 66.091 -0.891 1
1 945 . 6 1 1 A 92 92 SER N N 92 120.900 116.387 4.513 1
1 946 . 6 1 1 A 93 93 ARG H H 93 7.820 8.766 -0.946 1
1 947 . 6 1 1 A 93 93 ARG HA H 93 4.950 5.164 -0.214 1
1 952 . 6 1 1 A 93 93 ARG C C 93 176.400 174.414 1.986 1
1 953 . 6 1 1 A 93 93 ARG CA C 93 55.200 53.967 1.233 1
1 954 . 6 1 1 A 93 93 ARG CB C 93 34.600 34.876 -0.276 1
1 957 . 6 1 1 A 93 93 ARG N N 93 117.800 123.778 -5.978 1
1 958 . 6 1 1 A 94 94 PHE H H 94 9.860 9.372 0.488 1
1 959 . 6 1 1 A 94 94 PHE HA H 94 4.780 5.036 -0.256 1
1 962 . 6 1 1 A 94 94 PHE C C 94 176.400 174.072 2.328 1
1 963 . 6 1 1 A 94 94 PHE CA C 94 58.300 56.859 1.441 1
1 964 . 6 1 1 A 94 94 PHE CB C 94 38.500 40.542 -2.042 1
1 965 . 6 1 1 A 94 94 PHE N N 94 127.100 122.475 4.625 1
1 966 . 6 1 1 A 95 95 CYS H H 95 9.190 8.876 0.314 1
1 967 . 6 1 1 A 95 95 CYS HA H 95 4.810 4.804 0.006 1
1 970 . 6 1 1 A 95 95 CYS CA C 95 57.300 57.833 -0.533 1
1 971 . 6 1 1 A 95 95 CYS CB C 95 28.700 27.752 0.948 1
1 972 . 6 1 1 A 95 95 CYS N N 95 128.200 127.310 0.890 1
1 973 . 6 1 1 A 96 96 ILE H H 96 7.510 9.037 -1.527 1
1 974 . 6 1 1 A 96 96 ILE HA H 96 4.620 5.061 -0.441 1
1 983 . 6 1 1 A 96 96 ILE C C 96 173.700 174.547 -0.847 1
1 984 . 6 1 1 A 96 96 ILE CA C 96 55.800 59.884 -4.084 1
1 985 . 6 1 1 A 96 96 ILE CB C 96 39.900 40.697 -0.797 1
1 989 . 6 1 1 A 96 96 ILE N N 96 130.700 130.124 0.576 1
1 990 . 6 1 1 A 97 97 PHE H H 97 8.040 9.070 -1.030 1
1 991 . 6 1 1 A 97 97 PHE HA H 97 4.920 4.928 -0.008 1
1 994 . 6 1 1 A 97 97 PHE C C 97 178.800 177.272 1.528 1
1 995 . 6 1 1 A 97 97 PHE CA C 97 57.500 57.745 -0.245 1
1 996 . 6 1 1 A 97 97 PHE CB C 97 38.400 40.513 -2.113 1
1 997 . 6 1 1 A 97 97 PHE N N 97 122.400 127.167 -4.767 1
1 998 . 6 1 1 A 98 98 SER HA H 98 4.380 4.372 0.008 1
1 1001 . 6 1 1 A 98 98 SER C C 98 176.400 176.298 0.102 1
1 1002 . 6 1 1 A 98 98 SER CA C 98 64.900 61.396 3.504 1
1 1003 . 6 1 1 A 98 98 SER CB C 98 63.600 62.613 0.987 1
1 1004 . 6 1 1 A 99 99 SER H H 99 9.360 8.080 1.280 1
1 1005 . 6 1 1 A 99 99 SER HA H 99 4.300 4.340 -0.040 1
1 1008 . 6 1 1 A 99 99 SER C C 99 175.800 176.359 -0.559 1
1 1009 . 6 1 1 A 99 99 SER CA C 99 60.200 60.661 -0.461 1
1 1010 . 6 1 1 A 99 99 SER CB C 99 62.700 62.906 -0.206 1
1 1011 . 6 1 1 A 99 99 SER N N 99 114.100 117.430 -3.330 1
1 1012 . 6 1 1 A 100 100 SER H H 100 8.150 7.901 0.249 1
1 1013 . 6 1 1 A 100 100 SER HA H 100 4.630 4.404 0.226 1
1 1016 . 6 1 1 A 100 100 SER C C 100 173.500 173.658 -0.158 1
1 1017 . 6 1 1 A 100 100 SER CA C 100 60.400 61.331 -0.931 1
1 1018 . 6 1 1 A 100 100 SER CB C 100 63.600 63.907 -0.307 1
1 1019 . 6 1 1 A 100 100 SER N N 100 118.700 114.787 3.913 1
1 1020 . 6 1 1 A 101 101 LEU H H 101 8.100 7.839 0.261 1
1 1021 . 6 1 1 A 101 101 LEU HA H 101 5.570 4.952 0.618 1
1 1031 . 6 1 1 A 101 101 LEU C C 101 176.000 175.431 0.569 1
1 1032 . 6 1 1 A 101 101 LEU CA C 101 53.400 53.392 0.008 1
1 1033 . 6 1 1 A 101 101 LEU CB C 101 46.700 46.160 0.540 1
1 1036 . 6 1 1 A 101 101 LEU N N 101 122.000 119.586 2.414 1
1 1037 . 6 1 1 A 102 102 LYS H H 102 8.950 8.339 0.611 1
1 1038 . 6 1 1 A 102 102 LYS HA H 102 4.710 4.890 -0.180 1
1 1045 . 6 1 1 A 102 102 LYS C C 102 174.400 174.771 -0.371 1
1 1046 . 6 1 1 A 102 102 LYS CA C 102 55.400 54.320 1.080 1
1 1047 . 6 1 1 A 102 102 LYS CB C 102 36.500 35.654 0.846 1
1 1051 . 6 1 1 A 102 102 LYS N N 102 119.500 119.504 -0.004 1
1 1052 . 6 1 1 A 103 103 PHE H H 103 9.010 8.706 0.304 1
1 1053 . 6 1 1 A 103 103 PHE HA H 103 4.750 4.797 -0.047 1
1 1056 . 6 1 1 A 103 103 PHE C C 103 173.900 173.095 0.805 1
1 1057 . 6 1 1 A 103 103 PHE CA C 103 57.100 55.599 1.501 1
1 1058 . 6 1 1 A 103 103 PHE CB C 103 41.300 41.771 -0.471 1
1 1059 . 6 1 1 A 103 103 PHE N N 103 124.500 123.229 1.271 1
1 1060 . 6 1 1 A 104 104 VAL H H 104 8.550 8.799 -0.249 1
1 1061 . 6 1 1 A 104 104 VAL HA H 104 4.140 4.560 -0.420 1
1 1069 . 6 1 1 A 104 104 VAL C C 104 172.800 173.453 -0.653 1
1 1070 . 6 1 1 A 104 104 VAL CA C 104 58.800 58.533 0.267 1
1 1071 . 6 1 1 A 104 104 VAL CB C 104 32.300 33.144 -0.844 1
1 1074 . 6 1 1 A 104 104 VAL N N 104 132.000 127.835 4.165 1
1 1075 . 6 1 1 A 105 105 PRO HA H 105 4.110 4.349 -0.239 1
1 1082 . 6 1 1 A 105 105 PRO C C 105 176.400 175.230 1.170 1
1 1083 . 6 1 1 A 105 105 PRO CA C 105 62.400 62.572 -0.172 1
1 1084 . 6 1 1 A 105 105 PRO CB C 105 32.400 32.514 -0.114 1
1 1087 . 6 1 1 A 106 106 LYS H H 106 7.900 8.562 -0.662 1
1 1088 . 6 1 1 A 106 106 LYS HA H 106 4.170 4.844 -0.674 1
1 1096 . 6 1 1 A 106 106 LYS C C 106 176.900 174.991 1.909 1
1 1097 . 6 1 1 A 106 106 LYS CA C 106 56.700 54.654 2.046 1
1 1098 . 6 1 1 A 106 106 LYS CB C 106 33.500 34.938 -1.438 1
1 1102 . 6 1 1 A 106 106 LYS N N 106 123.200 122.191 1.009 1
1 1103 . 6 1 1 A 107 107 GLY H H 107 8.740 8.342 0.398 1
1 1104 . 6 1 1 A 107 107 GLY HA2 H 107 3.930 4.205 -0.275 1
1 1105 . 6 1 1 A 107 107 GLY HA3 H 107 3.960 4.211 -0.251 1
1 1106 . 6 1 1 A 107 107 GLY C C 107 174.000 174.698 -0.698 1
1 1107 . 6 1 1 A 107 107 GLY CA C 107 45.000 45.644 -0.644 1
1 1108 . 6 1 1 A 107 107 GLY N N 107 113.500 107.782 5.718 1
1 1109 . 6 1 1 A 108 108 LYS H H 108 8.240 8.531 -0.291 1
1 1110 . 6 1 1 A 108 108 LYS HA H 108 4.290 4.109 0.181 1
1 1118 . 6 1 1 A 108 108 LYS C C 108 176.700 178.829 -2.129 1
1 1119 . 6 1 1 A 108 108 LYS CA C 108 56.000 58.781 -2.781 1
1 1120 . 6 1 1 A 108 108 LYS CB C 108 32.700 32.526 0.174 1
1 1124 . 6 1 1 A 108 108 LYS N N 108 121.500 123.248 -1.748 1
1 1125 . 6 1 1 A 109 109 GLU H H 109 8.650 8.113 0.537 1
1 1126 . 6 1 1 A 109 109 GLU HA H 109 4.180 4.075 0.105 1
1 1131 . 6 1 1 A 109 109 GLU C C 109 176.500 176.202 0.298 1
1 1132 . 6 1 1 A 109 109 GLU CA C 109 56.600 59.408 -2.808 1
1 1133 . 6 1 1 A 109 109 GLU CB C 109 29.900 29.388 0.512 1
1 1135 . 6 1 1 A 109 109 GLU N N 109 122.800 119.813 2.987 1
1 1136 . 6 1 1 A 110 110 ALA H H 110 8.400 7.931 0.469 1
1 1137 . 6 1 1 A 110 110 ALA HA H 110 4.190 4.018 0.172 1
1 1141 . 6 1 1 A 110 110 ALA CA C 110 52.500 53.293 -0.793 1
1 1142 . 6 1 1 A 110 110 ALA CB C 110 19.000 17.210 1.790 1
1 1143 . 6 1 1 A 110 110 ALA N N 110 126.100 120.931 5.169 1
1 1144 . 6 1 1 A 111 111 ALA H H 111 8.240 8.213 0.027 1
1 1145 . 6 1 1 A 111 111 ALA HA H 111 4.220 3.906 0.314 1
1 1149 . 6 1 1 A 111 111 ALA C C 111 177.800 176.863 0.937 1
1 1150 . 6 1 1 A 111 111 ALA CA C 111 52.600 54.681 -2.081 1
1 1151 . 6 1 1 A 111 111 ALA CB C 111 19.000 18.151 0.849 1
1 1152 . 6 1 1 A 111 111 ALA N N 111 123.800 111.274 12.526 1
1 1153 . 6 1 1 A 112 112 ALA H H 112 8.220 8.367 -0.147 1
1 1154 . 6 1 1 A 112 112 ALA HA H 112 4.250 4.083 0.167 1
1 1158 . 6 1 1 A 112 112 ALA C C 112 178.100 176.766 1.334 1
1 1159 . 6 1 1 A 112 112 ALA CA C 112 52.600 54.105 -1.505 1
1 1160 . 6 1 1 A 112 112 ALA CB C 112 19.100 18.183 0.917 1
1 1161 . 6 1 1 A 112 112 ALA N N 112 123.600 119.919 3.681 1
1 1162 . 6 1 1 A 113 113 SER H H 113 8.200 8.665 -0.465 1
1 1163 . 6 1 1 A 113 113 SER HA H 113 4.360 4.852 -0.492 1
1 1166 . 6 1 1 A 113 113 SER C C 113 174.800 174.393 0.407 1
1 1167 . 6 1 1 A 113 113 SER CA C 113 58.300 57.065 1.235 1
1 1168 . 6 1 1 A 113 113 SER CB C 113 63.500 62.983 0.517 1
1 1169 . 6 1 1 A 113 113 SER N N 113 115.400 113.355 2.045 1
1 1170 . 6 1 1 A 114 114 GLN H H 114 8.320 8.174 0.146 1
1 1171 . 6 1 1 A 114 114 GLN HA H 114 4.290 4.695 -0.405 1
1 1178 . 6 1 1 A 114 114 GLN C C 114 176.500 175.241 1.259 1
1 1179 . 6 1 1 A 114 114 GLN CA C 114 55.900 55.465 0.435 1
1 1180 . 6 1 1 A 114 114 GLN CB C 114 29.300 31.067 -1.767 1
1 1182 . 6 1 1 A 114 114 GLN N N 114 122.500 122.132 0.368 1
1 1183 . 6 1 1 A 115 115 GLY H H 115 8.370 8.598 -0.228 1
1 1184 . 6 1 1 A 115 115 GLY HA2 H 115 3.850 4.169 -0.319 1
1 1185 . 6 1 1 A 115 115 GLY HA3 H 115 3.850 4.202 -0.352 1
1 1186 . 6 1 1 A 115 115 GLY C C 115 173.900 172.396 1.504 1
1 1187 . 6 1 1 A 115 115 GLY CA C 115 45.400 45.882 -0.482 1
1 1188 . 6 1 1 A 115 115 GLY N N 115 110.000 109.098 0.902 1
1 1189 . 6 1 1 A 116 116 HIS H H 116 8.290 8.683 -0.393 1
1 1190 . 6 1 1 A 116 116 HIS HA H 116 4.620 5.164 -0.544 1
1 1195 . 6 1 1 A 116 116 HIS C C 116 174.600 173.497 1.103 1
1 1196 . 6 1 1 A 116 116 HIS CA C 116 55.500 54.626 0.874 1
1 1197 . 6 1 1 A 116 116 HIS CB C 116 29.100 32.466 -3.366 1
1 1198 . 6 1 1 A 116 116 HIS N N 116 119.100 120.347 -1.247 1
1 1199 . 6 1 1 A 117 117 LEU H H 117 8.220 8.496 -0.276 1
1 1200 . 6 1 1 A 117 117 LEU HA H 117 4.240 4.376 -0.136 1
1 1210 . 6 1 1 A 117 117 LEU C C 117 174.600 176.500 -1.900 1
1 1211 . 6 1 1 A 117 117 LEU CA C 117 55.100 54.172 0.928 1
1 1212 . 6 1 1 A 117 117 LEU CB C 117 42.300 43.675 -1.375 1
1 1216 . 6 1 1 A 117 117 LEU N N 117 124.100 120.087 4.013 1
1 1217 . 6 1 1 A 118 118 GLU H H 118 8.350 9.024 -0.674 1
1 1218 . 6 1 1 A 118 118 GLU HA H 118 4.160 5.379 -1.219 1
1 1223 . 6 1 1 A 118 118 GLU C C 118 176.000 174.777 1.223 1
1 1224 . 6 1 1 A 118 118 GLU CA C 118 56.300 54.708 1.592 1
1 1225 . 6 1 1 A 118 118 GLU CB C 118 30.300 33.959 -3.659 1
1 1227 . 6 1 1 A 118 118 GLU N N 118 122.300 116.429 5.871 1
1 1228 . 6 1 1 A 119 119 HIS H H 119 8.410 8.755 -0.345 1
1 1229 . 6 1 1 A 119 119 HIS HA H 119 4.570 5.253 -0.683 1
1 1232 . 6 1 1 A 119 119 HIS C C 119 174.500 173.360 1.140 1
1 1233 . 6 1 1 A 119 119 HIS CA C 119 55.400 54.938 0.462 1
1 1234 . 6 1 1 A 119 119 HIS CB C 119 29.400 31.568 -2.168 1
1 1235 . 6 1 1 A 119 119 HIS N N 119 120.500 115.623 4.877 1
1 1236 . 6 1 1 A 120 120 HIS H H 120 8.530 8.755 -0.225 1
1 1237 . 6 1 1 A 120 120 HIS HA H 120 4.640 4.926 -0.286 1
1 1240 . 6 1 1 A 120 120 HIS C C 120 174.400 172.961 1.439 1
1 1241 . 6 1 1 A 120 120 HIS CA C 120 57.900 56.176 1.724 1
1 1242 . 6 1 1 A 120 120 HIS CB C 120 29.400 33.126 -3.726 1
1 1 . 7 1 1 A 3 3 PHE HA H 3 4.650 4.545 0.105 1
1 4 . 7 1 1 A 3 3 PHE C C 3 174.500 174.447 0.053 1
1 5 . 7 1 1 A 3 3 PHE CA C 3 57.800 59.431 -1.631 1
1 6 . 7 1 1 A 3 3 PHE CB C 3 39.600 37.955 1.645 1
1 7 . 7 1 1 A 4 4 CYS H H 4 8.270 8.423 -0.153 1
1 8 . 7 1 1 A 4 4 CYS HA H 4 4.380 4.961 -0.581 1
1 11 . 7 1 1 A 4 4 CYS C C 4 173.800 172.496 1.304 1
1 12 . 7 1 1 A 4 4 CYS CA C 4 58.100 57.728 0.372 1
1 13 . 7 1 1 A 4 4 CYS CB C 4 28.100 30.639 -2.539 1
1 14 . 7 1 1 A 4 4 CYS N N 4 122.600 118.812 3.788 1
1 15 . 7 1 1 A 5 5 SER H H 5 8.250 8.706 -0.456 1
1 16 . 7 1 1 A 5 5 SER HA H 5 4.270 4.720 -0.450 1
1 19 . 7 1 1 A 5 5 SER C C 5 173.700 173.300 0.400 1
1 20 . 7 1 1 A 5 5 SER CA C 5 58.300 57.410 0.890 1
1 21 . 7 1 1 A 5 5 SER CB C 5 63.700 61.910 1.790 1
1 22 . 7 1 1 A 5 5 SER N N 5 119.600 117.492 2.108 1
1 23 . 7 1 1 A 6 6 PHE H H 6 8.010 7.754 0.256 1
1 24 . 7 1 1 A 6 6 PHE HA H 6 4.560 4.910 -0.350 1
1 28 . 7 1 1 A 6 6 PHE C C 6 173.700 174.441 -0.741 1
1 29 . 7 1 1 A 6 6 PHE CA C 6 57.600 56.574 1.026 1
1 30 . 7 1 1 A 6 6 PHE CB C 6 39.700 43.346 -3.646 1
1 31 . 7 1 1 A 6 6 PHE N N 6 122.500 125.624 -3.124 1
1 32 . 7 1 1 A 7 7 PHE H H 7 8.230 7.962 0.268 1
1 33 . 7 1 1 A 7 7 PHE HA H 7 4.530 4.623 -0.093 1
1 36 . 7 1 1 A 7 7 PHE C C 7 175.800 177.272 -1.472 1
1 37 . 7 1 1 A 7 7 PHE CA C 7 57.600 56.667 0.933 1
1 38 . 7 1 1 A 7 7 PHE CB C 7 39.700 40.534 -0.834 1
1 39 . 7 1 1 A 7 7 PHE N N 7 123.000 120.116 2.884 1
1 40 . 7 1 1 A 8 8 GLY H H 8 7.870 8.711 -0.841 1
1 41 . 7 1 1 A 8 8 GLY HA2 H 8 3.800 3.918 -0.118 1
1 42 . 7 1 1 A 8 8 GLY HA3 H 8 3.750 3.933 -0.183 1
1 43 . 7 1 1 A 8 8 GLY C C 8 174.300 175.220 -0.920 1
1 44 . 7 1 1 A 8 8 GLY CA C 8 45.300 46.474 -1.174 1
1 45 . 7 1 1 A 8 8 GLY N N 8 111.200 108.005 3.195 1
1 46 . 7 1 1 A 9 9 GLY H H 9 7.930 8.455 -0.525 1
1 47 . 7 1 1 A 9 9 GLY HA2 H 9 3.920 3.916 0.004 1
1 48 . 7 1 1 A 9 9 GLY HA3 H 9 3.850 4.135 -0.285 1
1 49 . 7 1 1 A 9 9 GLY C C 9 175.200 173.961 1.239 1
1 50 . 7 1 1 A 9 9 GLY CA C 9 45.100 47.001 -1.901 1
1 51 . 7 1 1 A 9 9 GLY N N 9 108.400 106.804 1.596 1
1 52 . 7 1 1 A 10 10 GLU H H 10 8.400 8.186 0.214 1
1 53 . 7 1 1 A 10 10 GLU HA H 10 4.360 5.045 -0.685 1
1 58 . 7 1 1 A 10 10 GLU C C 10 178.400 174.983 3.417 1
1 59 . 7 1 1 A 10 10 GLU CA C 10 54.700 55.121 -0.421 1
1 60 . 7 1 1 A 10 10 GLU CB C 10 36.700 33.046 3.654 1
1 62 . 7 1 1 A 10 10 GLU N N 10 122.600 122.504 0.096 1
1 63 . 7 1 1 A 11 11 VAL H H 11 7.940 8.972 -1.032 1
1 64 . 7 1 1 A 11 11 VAL HA H 11 3.680 4.486 -0.806 1
1 72 . 7 1 1 A 11 11 VAL C C 11 176.600 176.000 0.600 1
1 73 . 7 1 1 A 11 11 VAL CA C 11 63.800 60.889 2.911 1
1 74 . 7 1 1 A 11 11 VAL CB C 11 31.200 32.434 -1.234 1
1 77 . 7 1 1 A 11 11 VAL N N 11 120.300 126.124 -5.824 1
1 78 . 7 1 1 A 12 12 PHE H H 12 7.730 8.496 -0.766 1
1 79 . 7 1 1 A 12 12 PHE HA H 12 5.200 4.546 0.654 1
1 83 . 7 1 1 A 12 12 PHE C C 12 177.100 177.081 0.019 1
1 84 . 7 1 1 A 12 12 PHE CA C 12 55.700 59.205 -3.505 1
1 85 . 7 1 1 A 12 12 PHE CB C 12 38.200 37.849 0.351 1
1 86 . 7 1 1 A 12 12 PHE N N 12 113.700 121.779 -8.079 1
1 87 . 7 1 1 A 13 13 GLN H H 13 8.080 7.961 0.119 1
1 88 . 7 1 1 A 13 13 GLN HA H 13 3.270 3.251 0.019 1
1 95 . 7 1 1 A 13 13 GLN C C 13 175.400 177.451 -2.051 1
1 96 . 7 1 1 A 13 13 GLN CA C 13 62.100 58.908 3.192 1
1 97 . 7 1 1 A 13 13 GLN CB C 13 27.100 28.219 -1.119 1
1 99 . 7 1 1 A 13 13 GLN N N 13 126.400 120.147 6.253 1
1 100 . 7 1 1 A 14 14 ASN H H 14 8.580 7.441 1.139 1
1 101 . 7 1 1 A 14 14 ASN HA H 14 5.010 4.598 0.412 1
1 106 . 7 1 1 A 14 14 ASN C C 14 173.000 175.640 -2.640 1
1 107 . 7 1 1 A 14 14 ASN CA C 14 51.500 53.932 -2.432 1
1 108 . 7 1 1 A 14 14 ASN CB C 14 37.900 38.822 -0.922 1
1 109 . 7 1 1 A 14 14 ASN N N 14 115.900 115.298 0.602 1
1 111 . 7 1 1 A 15 15 HIS H H 15 6.070 7.470 -1.400 1
1 112 . 7 1 1 A 15 15 HIS HA H 15 4.370 4.821 -0.451 1
1 117 . 7 1 1 A 15 15 HIS C C 15 174.400 175.331 -0.931 1
1 118 . 7 1 1 A 15 15 HIS CA C 15 56.600 56.361 0.239 1
1 119 . 7 1 1 A 15 15 HIS CB C 15 33.400 31.992 1.408 1
1 120 . 7 1 1 A 15 15 HIS N N 15 120.500 117.278 3.222 1
1 121 . 7 1 1 A 16 16 PHE H H 16 8.880 8.964 -0.084 1
1 122 . 7 1 1 A 16 16 PHE HA H 16 4.870 4.713 0.157 1
1 125 . 7 1 1 A 16 16 PHE C C 16 174.300 175.238 -0.938 1
1 126 . 7 1 1 A 16 16 PHE CA C 16 57.100 56.200 0.900 1
1 127 . 7 1 1 A 16 16 PHE CB C 16 39.700 36.965 2.735 1
1 128 . 7 1 1 A 16 16 PHE N N 16 127.200 119.760 7.440 1
1 129 . 7 1 1 A 17 17 GLU H H 17 5.780 8.028 -2.248 1
1 130 . 7 1 1 A 17 17 GLU HA H 17 4.500 4.662 -0.162 1
1 135 . 7 1 1 A 17 17 GLU C C 17 174.300 174.873 -0.573 1
1 136 . 7 1 1 A 17 17 GLU CA C 17 53.500 55.312 -1.812 1
1 137 . 7 1 1 A 17 17 GLU CB C 17 30.700 28.725 1.975 1
1 139 . 7 1 1 A 17 17 GLU N N 17 119.900 121.127 -1.227 1
1 140 . 7 1 1 A 18 18 PRO HA H 18 4.630 4.708 -0.078 1
1 147 . 7 1 1 A 18 18 PRO C C 18 178.100 177.327 0.773 1
1 148 . 7 1 1 A 18 18 PRO CA C 18 62.700 62.733 -0.033 1
1 149 . 7 1 1 A 18 18 PRO CB C 18 31.400 32.210 -0.810 1
1 152 . 7 1 1 A 19 19 GLY H H 19 8.820 8.771 0.049 1
1 153 . 7 1 1 A 19 19 GLY HA2 H 19 4.500 4.079 0.421 1
1 154 . 7 1 1 A 19 19 GLY HA3 H 19 3.630 4.128 -0.498 1
1 155 . 7 1 1 A 19 19 GLY C C 19 171.000 173.038 -2.038 1
1 156 . 7 1 1 A 19 19 GLY CA C 19 46.200 44.479 1.721 1
1 157 . 7 1 1 A 19 19 GLY N N 19 111.300 108.073 3.227 1
1 158 . 7 1 1 A 20 20 VAL H H 20 8.070 8.359 -0.289 1
1 159 . 7 1 1 A 20 20 VAL HA H 20 4.750 4.908 -0.158 1
1 167 . 7 1 1 A 20 20 VAL C C 20 172.300 173.750 -1.450 1
1 168 . 7 1 1 A 20 20 VAL CA C 20 60.200 59.897 0.303 1
1 169 . 7 1 1 A 20 20 VAL CB C 20 36.100 34.557 1.543 1
1 172 . 7 1 1 A 20 20 VAL N N 20 120.700 119.148 1.552 1
1 173 . 7 1 1 A 21 21 TYR H H 21 9.560 8.581 0.979 1
1 174 . 7 1 1 A 21 21 TYR HA H 21 5.230 5.040 0.190 1
1 177 . 7 1 1 A 21 21 TYR C C 21 175.600 173.691 1.909 1
1 178 . 7 1 1 A 21 21 TYR CA C 21 56.800 56.062 0.738 1
1 179 . 7 1 1 A 21 21 TYR CB C 21 39.200 41.727 -2.527 1
1 180 . 7 1 1 A 21 21 TYR N N 21 123.200 125.338 -2.138 1
1 181 . 7 1 1 A 22 22 VAL H H 22 9.400 8.343 1.057 1
1 182 . 7 1 1 A 22 22 VAL HA H 22 4.950 4.471 0.479 1
1 190 . 7 1 1 A 22 22 VAL C C 22 174.000 173.864 0.136 1
1 191 . 7 1 1 A 22 22 VAL CA C 22 57.100 58.804 -1.704 1
1 192 . 7 1 1 A 22 22 VAL CB C 22 33.900 35.799 -1.899 1
1 195 . 7 1 1 A 22 22 VAL N N 22 119.100 121.108 -2.008 1
1 196 . 7 1 1 A 23 23 CYS H H 23 9.020 8.457 0.563 1
1 197 . 7 1 1 A 23 23 CYS HA H 23 4.260 4.742 -0.482 1
1 200 . 7 1 1 A 23 23 CYS C C 23 178.700 175.976 2.724 1
1 201 . 7 1 1 A 23 23 CYS CA C 23 60.600 58.780 1.820 1
1 202 . 7 1 1 A 23 23 CYS CB C 23 31.700 29.135 2.565 1
1 203 . 7 1 1 A 23 23 CYS N N 23 123.800 122.453 1.347 1
1 204 . 7 1 1 A 24 24 ALA H H 24 8.760 8.802 -0.042 1
1 205 . 7 1 1 A 24 24 ALA HA H 24 3.840 4.044 -0.204 1
1 209 . 7 1 1 A 24 24 ALA C C 24 177.500 179.152 -1.652 1
1 210 . 7 1 1 A 24 24 ALA CA C 24 55.000 54.712 0.288 1
1 211 . 7 1 1 A 24 24 ALA CB C 24 18.700 18.362 0.338 1
1 212 . 7 1 1 A 24 24 ALA N N 24 131.900 128.751 3.149 1
1 213 . 7 1 1 A 25 25 LYS H H 25 9.200 7.672 1.528 1
1 214 . 7 1 1 A 25 25 LYS HA H 25 4.380 4.385 -0.005 1
1 222 . 7 1 1 A 25 25 LYS C C 25 178.100 178.972 -0.872 1
1 223 . 7 1 1 A 25 25 LYS CA C 25 57.900 58.359 -0.459 1
1 224 . 7 1 1 A 25 25 LYS CB C 25 33.500 33.436 0.064 1
1 228 . 7 1 1 A 25 25 LYS N N 25 120.000 116.967 3.033 1
1 229 . 7 1 1 A 26 26 CYS H H 26 8.730 7.955 0.775 1
1 230 . 7 1 1 A 26 26 CYS HA H 26 5.000 4.233 0.767 1
1 233 . 7 1 1 A 26 26 CYS C C 26 177.000 175.129 1.871 1
1 234 . 7 1 1 A 26 26 CYS CA C 26 59.400 62.669 -3.269 1
1 235 . 7 1 1 A 26 26 CYS CB C 26 32.900 27.562 5.338 1
1 236 . 7 1 1 A 26 26 CYS N N 26 120.900 117.790 3.110 1
1 237 . 7 1 1 A 27 27 SER H H 27 8.170 8.140 0.030 1
1 238 . 7 1 1 A 27 27 SER HA H 27 4.140 4.420 -0.280 1
1 241 . 7 1 1 A 27 27 SER C C 27 174.800 173.914 0.886 1
1 242 . 7 1 1 A 27 27 SER CA C 27 60.900 59.227 1.673 1
1 243 . 7 1 1 A 27 27 SER CB C 27 61.600 61.069 0.531 1
1 244 . 7 1 1 A 27 27 SER N N 27 115.800 115.520 0.280 1
1 245 . 7 1 1 A 28 28 TYR H H 28 9.010 7.846 1.164 1
1 246 . 7 1 1 A 28 28 TYR HA H 28 4.420 4.754 -0.334 1
1 249 . 7 1 1 A 28 28 TYR C C 28 176.600 174.817 1.783 1
1 250 . 7 1 1 A 28 28 TYR CA C 28 59.300 56.332 2.968 1
1 251 . 7 1 1 A 28 28 TYR CB C 28 39.600 39.201 0.399 1
1 252 . 7 1 1 A 28 28 TYR N N 28 127.100 122.584 4.516 1
1 253 . 7 1 1 A 29 29 GLU H H 29 7.730 8.561 -0.831 1
1 254 . 7 1 1 A 29 29 GLU HA H 29 3.670 4.103 -0.433 1
1 259 . 7 1 1 A 29 29 GLU C C 29 174.900 176.539 -1.639 1
1 260 . 7 1 1 A 29 29 GLU CA C 29 58.700 57.121 1.579 1
1 261 . 7 1 1 A 29 29 GLU CB C 29 29.800 29.825 -0.025 1
1 263 . 7 1 1 A 29 29 GLU N N 29 124.500 127.616 -3.116 1
1 264 . 7 1 1 A 30 30 LEU H H 30 7.940 8.864 -0.924 1
1 265 . 7 1 1 A 30 30 LEU HA H 30 4.140 4.980 -0.840 1
1 274 . 7 1 1 A 30 30 LEU C C 30 175.400 175.460 -0.060 1
1 275 . 7 1 1 A 30 30 LEU CA C 30 56.200 53.706 2.494 1
1 276 . 7 1 1 A 30 30 LEU CB C 30 46.700 45.705 0.995 1
1 277 . 7 1 1 A 30 30 LEU N N 30 121.800 121.533 0.267 1
1 278 . 7 1 1 A 31 31 PHE H H 31 7.880 8.693 -0.813 1
1 279 . 7 1 1 A 31 31 PHE HA H 31 4.720 4.814 -0.094 1
1 282 . 7 1 1 A 31 31 PHE C C 31 174.600 173.952 0.648 1
1 283 . 7 1 1 A 31 31 PHE CA C 31 56.600 58.152 -1.552 1
1 284 . 7 1 1 A 31 31 PHE CB C 31 45.300 42.204 3.096 1
1 285 . 7 1 1 A 31 31 PHE N N 31 113.300 121.598 -8.298 1
1 286 . 7 1 1 A 32 32 SER H H 32 10.030 8.067 1.963 1
1 287 . 7 1 1 A 32 32 SER HA H 32 4.860 4.764 0.096 1
1 290 . 7 1 1 A 32 32 SER CA C 32 57.000 56.413 0.587 1
1 291 . 7 1 1 A 32 32 SER CB C 32 63.700 65.901 -2.201 1
1 292 . 7 1 1 A 32 32 SER N N 32 118.700 118.358 0.342 1
1 293 . 7 1 1 A 33 33 SER H H 33 8.990 8.581 0.409 1
1 294 . 7 1 1 A 33 33 SER HA H 33 4.840 4.241 0.599 1
1 297 . 7 1 1 A 33 33 SER C C 33 177.300 175.165 2.135 1
1 298 . 7 1 1 A 33 33 SER CA C 33 63.700 60.110 3.590 1
1 299 . 7 1 1 A 33 33 SER CB C 33 63.700 63.438 0.262 1
1 300 . 7 1 1 A 33 33 SER N N 33 123.100 115.218 7.882 1
1 301 . 7 1 1 A 34 34 HIS HA H 34 4.710 4.643 0.067 1
1 304 . 7 1 1 A 34 34 HIS C C 34 175.800 176.781 -0.981 1
1 305 . 7 1 1 A 34 34 HIS CA C 34 57.900 56.934 0.966 1
1 306 . 7 1 1 A 34 34 HIS CB C 34 28.600 31.242 -2.642 1
1 307 . 7 1 1 A 35 35 SER H H 35 7.960 7.816 0.144 1
1 308 . 7 1 1 A 35 35 SER HA H 35 4.820 4.112 0.708 1
1 311 . 7 1 1 A 35 35 SER C C 35 173.200 174.066 -0.866 1
1 312 . 7 1 1 A 35 35 SER CA C 35 58.100 60.526 -2.426 1
1 313 . 7 1 1 A 35 35 SER CB C 35 65.300 62.733 2.567 1
1 314 . 7 1 1 A 35 35 SER N N 35 114.500 113.431 1.069 1
1 315 . 7 1 1 A 36 36 LYS H H 36 7.630 7.511 0.119 1
1 316 . 7 1 1 A 36 36 LYS HA H 36 4.890 4.873 0.017 1
1 322 . 7 1 1 A 36 36 LYS C C 36 176.100 174.510 1.590 1
1 323 . 7 1 1 A 36 36 LYS CA C 36 55.400 54.357 1.043 1
1 324 . 7 1 1 A 36 36 LYS CB C 36 35.400 36.192 -0.792 1
1 328 . 7 1 1 A 36 36 LYS N N 36 126.900 118.003 8.897 1
1 329 . 7 1 1 A 37 37 TYR H H 37 8.440 8.877 -0.437 1
1 330 . 7 1 1 A 37 37 TYR HA H 37 5.100 5.073 0.027 1
1 333 . 7 1 1 A 37 37 TYR C C 37 172.800 175.215 -2.415 1
1 334 . 7 1 1 A 37 37 TYR CA C 37 55.400 56.683 -1.283 1
1 335 . 7 1 1 A 37 37 TYR CB C 37 41.000 43.452 -2.452 1
1 336 . 7 1 1 A 37 37 TYR N N 37 124.200 118.939 5.261 1
1 337 . 7 1 1 A 38 38 ALA H H 38 8.590 8.526 0.064 1
1 338 . 7 1 1 A 38 38 ALA HA H 38 4.630 4.814 -0.184 1
1 342 . 7 1 1 A 38 38 ALA C C 38 175.900 177.031 -1.131 1
1 343 . 7 1 1 A 38 38 ALA CA C 38 52.500 52.013 0.487 1
1 344 . 7 1 1 A 38 38 ALA CB C 38 18.300 19.713 -1.413 1
1 345 . 7 1 1 A 38 38 ALA N N 38 125.100 124.617 0.483 1
1 346 . 7 1 1 A 39 39 HIS H H 39 8.080 8.717 -0.637 1
1 347 . 7 1 1 A 39 39 HIS HA H 39 4.620 5.047 -0.427 1
1 352 . 7 1 1 A 39 39 HIS C C 39 174.100 172.409 1.691 1
1 353 . 7 1 1 A 39 39 HIS CA C 39 57.000 55.896 1.104 1
1 354 . 7 1 1 A 39 39 HIS CB C 39 34.600 33.736 0.864 1
1 355 . 7 1 1 A 39 39 HIS N N 39 125.600 121.750 3.850 1
1 356 . 7 1 1 A 40 40 SER H H 40 6.860 8.320 -1.460 1
1 357 . 7 1 1 A 40 40 SER HA H 40 4.060 4.875 -0.815 1
1 360 . 7 1 1 A 40 40 SER C C 40 174.900 173.185 1.715 1
1 361 . 7 1 1 A 40 40 SER CA C 40 58.800 57.432 1.368 1
1 362 . 7 1 1 A 40 40 SER CB C 40 62.700 63.904 -1.204 1
1 363 . 7 1 1 A 40 40 SER N N 40 118.700 122.502 -3.802 1
1 364 . 7 1 1 A 41 41 SER H H 41 9.140 8.832 0.308 1
1 365 . 7 1 1 A 41 41 SER HA H 41 4.480 4.937 -0.457 1
1 368 . 7 1 1 A 41 41 SER C C 41 173.600 171.267 2.333 1
1 369 . 7 1 1 A 41 41 SER CA C 41 57.800 56.264 1.536 1
1 370 . 7 1 1 A 41 41 SER CB C 41 63.600 65.223 -1.623 1
1 371 . 7 1 1 A 41 41 SER N N 41 122.500 119.913 2.587 1
1 372 . 7 1 1 A 42 42 PRO HA H 42 4.040 4.104 -0.064 1
1 379 . 7 1 1 A 42 42 PRO C C 42 174.900 176.693 -1.793 1
1 380 . 7 1 1 A 42 42 PRO CA C 42 63.700 63.253 0.447 1
1 381 . 7 1 1 A 42 42 PRO CB C 42 31.500 31.825 -0.325 1
1 384 . 7 1 1 A 43 43 TRP H H 43 6.590 7.878 -1.288 1
1 385 . 7 1 1 A 43 43 TRP HA H 43 4.850 4.040 0.810 1
1 394 . 7 1 1 A 43 43 TRP C C 43 174.100 174.914 -0.814 1
1 395 . 7 1 1 A 43 43 TRP CA C 43 57.300 57.617 -0.317 1
1 396 . 7 1 1 A 43 43 TRP CB C 43 29.500 27.116 2.384 1
1 397 . 7 1 1 A 43 43 TRP N N 43 113.900 117.430 -3.530 1
1 399 . 7 1 1 A 44 44 PRO HA H 44 3.810 4.613 -0.803 1
1 405 . 7 1 1 A 44 44 PRO C C 44 174.800 175.543 -0.743 1
1 406 . 7 1 1 A 44 44 PRO CA C 44 63.200 62.530 0.670 1
1 407 . 7 1 1 A 44 44 PRO CB C 44 32.200 33.119 -0.919 1
1 410 . 7 1 1 A 45 45 ALA H H 45 7.850 8.011 -0.161 1
1 411 . 7 1 1 A 45 45 ALA HA H 45 5.260 4.378 0.882 1
1 415 . 7 1 1 A 45 45 ALA C C 45 174.800 175.275 -0.475 1
1 416 . 7 1 1 A 45 45 ALA CA C 45 50.100 50.447 -0.347 1
1 417 . 7 1 1 A 45 45 ALA CB C 45 20.800 23.707 -2.907 1
1 418 . 7 1 1 A 45 45 ALA N N 45 126.700 119.544 7.156 1
1 419 . 7 1 1 A 46 46 PHE H H 46 8.080 8.023 0.057 1
1 420 . 7 1 1 A 46 46 PHE HA H 46 5.860 5.136 0.724 1
1 424 . 7 1 1 A 46 46 PHE C C 46 177.800 176.032 1.768 1
1 425 . 7 1 1 A 46 46 PHE CA C 46 54.800 56.358 -1.558 1
1 426 . 7 1 1 A 46 46 PHE CB C 46 44.500 41.398 3.102 1
1 427 . 7 1 1 A 46 46 PHE N N 46 115.600 115.895 -0.295 1
1 428 . 7 1 1 A 47 47 THR H H 47 9.190 8.640 0.550 1
1 429 . 7 1 1 A 47 47 THR HA H 47 5.220 4.233 0.987 1
1 434 . 7 1 1 A 47 47 THR C C 47 175.000 174.348 0.652 1
1 435 . 7 1 1 A 47 47 THR CA C 47 63.000 66.066 -3.066 1
1 436 . 7 1 1 A 47 47 THR CB C 47 70.500 68.430 2.070 1
1 438 . 7 1 1 A 47 47 THR N N 47 109.900 117.994 -8.094 1
1 439 . 7 1 1 A 48 48 GLU H H 48 7.320 7.317 0.003 1
1 440 . 7 1 1 A 48 48 GLU HA H 48 4.920 4.834 0.086 1
1 445 . 7 1 1 A 48 48 GLU C C 48 175.400 174.476 0.924 1
1 446 . 7 1 1 A 48 48 GLU CA C 48 55.200 54.421 0.779 1
1 447 . 7 1 1 A 48 48 GLU CB C 48 31.900 33.258 -1.358 1
1 449 . 7 1 1 A 48 48 GLU N N 48 115.400 118.867 -3.467 1
1 450 . 7 1 1 A 49 49 THR H H 49 8.150 8.647 -0.497 1
1 451 . 7 1 1 A 49 49 THR HA H 49 4.090 4.897 -0.807 1
1 456 . 7 1 1 A 49 49 THR C C 49 175.800 174.146 1.654 1
1 457 . 7 1 1 A 49 49 THR CA C 49 60.000 59.611 0.389 1
1 458 . 7 1 1 A 49 49 THR CB C 49 70.400 71.330 -0.930 1
1 460 . 7 1 1 A 49 49 THR N N 49 111.400 113.826 -2.426 1
1 461 . 7 1 1 A 50 50 ILE H H 50 7.720 8.577 -0.857 1
1 462 . 7 1 1 A 50 50 ILE HA H 50 3.630 4.148 -0.518 1
1 472 . 7 1 1 A 50 50 ILE C C 50 174.500 176.227 -1.727 1
1 473 . 7 1 1 A 50 50 ILE CA C 50 64.100 62.196 1.904 1
1 474 . 7 1 1 A 50 50 ILE CB C 50 38.700 39.194 -0.494 1
1 478 . 7 1 1 A 50 50 ILE N N 50 121.700 122.898 -1.198 1
1 479 . 7 1 1 A 51 51 HIS H H 51 7.400 7.956 -0.556 1
1 480 . 7 1 1 A 51 51 HIS HA H 51 5.300 4.935 0.365 1
1 484 . 7 1 1 A 51 51 HIS C C 51 175.500 173.423 2.077 1
1 485 . 7 1 1 A 51 51 HIS CA C 51 51.800 54.304 -2.504 1
1 486 . 7 1 1 A 51 51 HIS CB C 51 29.700 30.552 -0.852 1
1 487 . 7 1 1 A 51 51 HIS N N 51 115.500 120.898 -5.398 1
1 488 . 7 1 1 A 52 52 PRO HA H 52 4.350 4.243 0.107 1
1 495 . 7 1 1 A 52 52 PRO C C 52 176.900 178.246 -1.346 1
1 496 . 7 1 1 A 52 52 PRO CA C 52 64.800 65.524 -0.724 1
1 497 . 7 1 1 A 52 52 PRO CB C 52 31.300 31.952 -0.652 1
1 500 . 7 1 1 A 53 53 ASP H H 53 8.070 9.256 -1.186 1
1 501 . 7 1 1 A 53 53 ASP HA H 53 4.760 4.434 0.326 1
1 504 . 7 1 1 A 53 53 ASP C C 53 176.900 177.334 -0.434 1
1 505 . 7 1 1 A 53 53 ASP CA C 53 52.100 56.279 -4.179 1
1 506 . 7 1 1 A 53 53 ASP CB C 53 39.700 39.696 0.004 1
1 507 . 7 1 1 A 53 53 ASP N N 53 114.300 117.904 -3.604 1
1 508 . 7 1 1 A 54 54 SER H H 54 7.720 7.990 -0.270 1
1 509 . 7 1 1 A 54 54 SER HA H 54 4.040 4.360 -0.320 1
1 512 . 7 1 1 A 54 54 SER C C 54 173.200 174.125 -0.925 1
1 513 . 7 1 1 A 54 54 SER CA C 54 64.100 59.544 4.556 1
1 514 . 7 1 1 A 54 54 SER CB C 54 64.200 63.632 0.568 1
1 515 . 7 1 1 A 54 54 SER N N 54 116.300 113.622 2.678 1
1 516 . 7 1 1 A 55 55 VAL H H 55 7.360 7.752 -0.392 1
1 517 . 7 1 1 A 55 55 VAL HA H 55 5.280 4.944 0.336 1
1 525 . 7 1 1 A 55 55 VAL C C 55 175.700 174.153 1.547 1
1 526 . 7 1 1 A 55 55 VAL CA C 55 57.300 59.458 -2.158 1
1 527 . 7 1 1 A 55 55 VAL CB C 55 34.800 35.303 -0.503 1
1 530 . 7 1 1 A 55 55 VAL N N 55 105.200 116.332 -11.132 1
1 531 . 7 1 1 A 56 56 THR H H 56 8.780 8.554 0.226 1
1 532 . 7 1 1 A 56 56 THR HA H 56 4.530 5.089 -0.559 1
1 537 . 7 1 1 A 56 56 THR C C 56 173.800 172.868 0.932 1
1 538 . 7 1 1 A 56 56 THR CA C 56 60.500 60.176 0.324 1
1 539 . 7 1 1 A 56 56 THR CB C 56 70.400 71.846 -1.446 1
1 541 . 7 1 1 A 56 56 THR N N 56 116.000 116.019 -0.019 1
1 542 . 7 1 1 A 57 57 LYS H H 57 8.610 8.947 -0.337 1
1 543 . 7 1 1 A 57 57 LYS HA H 57 5.490 5.232 0.258 1
1 550 . 7 1 1 A 57 57 LYS C C 57 176.000 174.649 1.351 1
1 551 . 7 1 1 A 57 57 LYS CA C 57 54.600 54.253 0.347 1
1 552 . 7 1 1 A 57 57 LYS CB C 57 36.000 36.972 -0.972 1
1 556 . 7 1 1 A 57 57 LYS N N 57 121.900 124.797 -2.897 1
1 557 . 7 1 1 A 58 58 CYS H H 58 8.610 9.098 -0.488 1
1 558 . 7 1 1 A 58 58 CYS HA H 58 5.100 5.047 0.053 1
1 561 . 7 1 1 A 58 58 CYS CA C 58 55.200 56.496 -1.296 1
1 562 . 7 1 1 A 58 58 CYS CB C 58 29.700 30.710 -1.010 1
1 563 . 7 1 1 A 58 58 CYS N N 58 120.600 117.563 3.037 1
1 564 . 7 1 1 A 59 59 PRO HA H 59 4.590 4.516 0.074 1
1 571 . 7 1 1 A 59 59 PRO C C 59 176.600 176.783 -0.183 1
1 572 . 7 1 1 A 59 59 PRO CA C 59 63.700 62.325 1.375 1
1 573 . 7 1 1 A 59 59 PRO CB C 59 32.100 32.035 0.065 1
1 576 . 7 1 1 A 60 60 GLU H H 60 8.630 8.248 0.382 1
1 577 . 7 1 1 A 60 60 GLU HA H 60 4.450 4.522 -0.072 1
1 582 . 7 1 1 A 60 60 GLU C C 60 176.900 177.154 -0.254 1
1 583 . 7 1 1 A 60 60 GLU CA C 60 55.700 56.303 -0.603 1
1 584 . 7 1 1 A 60 60 GLU CB C 60 30.500 30.415 0.085 1
1 586 . 7 1 1 A 60 60 GLU N N 60 123.900 121.429 2.471 1
1 587 . 7 1 1 A 61 61 LYS H H 61 8.780 8.480 0.300 1
1 588 . 7 1 1 A 61 61 LYS HA H 61 3.930 4.488 -0.558 1
1 596 . 7 1 1 A 61 61 LYS C C 61 177.100 177.660 -0.560 1
1 597 . 7 1 1 A 61 61 LYS CA C 61 58.300 57.234 1.066 1
1 598 . 7 1 1 A 61 61 LYS CB C 61 31.900 33.864 -1.964 1
1 602 . 7 1 1 A 61 61 LYS N N 61 127.000 120.246 6.754 1
1 603 . 7 1 1 A 62 62 ASN H H 62 8.870 8.387 0.483 1
1 604 . 7 1 1 A 62 62 ASN HA H 62 4.520 4.630 -0.110 1
1 609 . 7 1 1 A 62 62 ASN C C 62 174.400 175.456 -1.056 1
1 610 . 7 1 1 A 62 62 ASN CA C 62 54.000 53.519 0.481 1
1 611 . 7 1 1 A 62 62 ASN CB C 62 38.000 37.592 0.408 1
1 612 . 7 1 1 A 62 62 ASN N N 62 117.000 116.622 0.378 1
1 613 . 7 1 1 A 63 63 ARG H H 63 7.430 7.637 -0.207 1
1 614 . 7 1 1 A 63 63 ARG HA H 63 4.810 4.786 0.024 1
1 622 . 7 1 1 A 63 63 ARG C C 63 172.300 174.332 -2.032 1
1 623 . 7 1 1 A 63 63 ARG CA C 63 53.800 53.699 0.101 1
1 624 . 7 1 1 A 63 63 ARG CB C 63 31.300 30.867 0.433 1
1 627 . 7 1 1 A 63 63 ARG N N 63 119.200 119.916 -0.716 1
1 629 . 7 1 1 A 64 64 PRO HA H 64 4.350 4.523 -0.173 1
1 636 . 7 1 1 A 64 64 PRO C C 64 176.900 175.975 0.925 1
1 637 . 7 1 1 A 64 64 PRO CA C 64 64.200 63.044 1.156 1
1 638 . 7 1 1 A 64 64 PRO CB C 64 31.800 29.973 1.827 1
1 641 . 7 1 1 A 65 65 GLU H H 65 9.210 8.609 0.601 1
1 642 . 7 1 1 A 65 65 GLU HA H 65 4.280 4.467 -0.187 1
1 647 . 7 1 1 A 65 65 GLU C C 65 174.300 175.041 -0.741 1
1 648 . 7 1 1 A 65 65 GLU CA C 65 56.600 55.933 0.667 1
1 649 . 7 1 1 A 65 65 GLU CB C 65 28.200 31.375 -3.175 1
1 651 . 7 1 1 A 65 65 GLU N N 65 117.000 119.784 -2.784 1
1 652 . 7 1 1 A 66 66 ALA H H 66 8.040 7.109 0.931 1
1 653 . 7 1 1 A 66 66 ALA HA H 66 5.230 4.166 1.064 1
1 657 . 7 1 1 A 66 66 ALA C C 66 174.900 174.941 -0.041 1
1 658 . 7 1 1 A 66 66 ALA CA C 66 50.300 51.197 -0.897 1
1 659 . 7 1 1 A 66 66 ALA CB C 66 22.200 21.945 0.255 1
1 660 . 7 1 1 A 66 66 ALA N N 66 124.800 119.950 4.850 1
1 661 . 7 1 1 A 67 67 LEU H H 67 8.710 8.255 0.455 1
1 662 . 7 1 1 A 67 67 LEU HA H 67 4.800 4.979 -0.179 1
1 672 . 7 1 1 A 67 67 LEU C C 67 177.200 176.023 1.177 1
1 673 . 7 1 1 A 67 67 LEU CA C 67 52.800 53.746 -0.946 1
1 674 . 7 1 1 A 67 67 LEU CB C 67 43.200 45.647 -2.447 1
1 678 . 7 1 1 A 67 67 LEU N N 67 120.400 118.564 1.836 1
1 679 . 7 1 1 A 68 68 LYS H H 68 9.180 8.974 0.206 1
1 680 . 7 1 1 A 68 68 LYS HA H 68 4.050 4.451 -0.401 1
1 689 . 7 1 1 A 68 68 LYS C C 68 176.900 175.100 1.800 1
1 690 . 7 1 1 A 68 68 LYS CA C 68 57.100 54.245 2.855 1
1 691 . 7 1 1 A 68 68 LYS CB C 68 32.600 35.097 -2.497 1
1 695 . 7 1 1 A 68 68 LYS N N 68 125.300 118.839 6.461 1
1 696 . 7 1 1 A 69 69 VAL H H 69 8.150 8.996 -0.846 1
1 697 . 7 1 1 A 69 69 VAL HA H 69 5.240 4.875 0.365 1
1 705 . 7 1 1 A 69 69 VAL C C 69 174.900 174.700 0.200 1
1 706 . 7 1 1 A 69 69 VAL CA C 69 59.900 60.944 -1.044 1
1 707 . 7 1 1 A 69 69 VAL CB C 69 34.700 34.010 0.690 1
1 710 . 7 1 1 A 69 69 VAL N N 69 121.600 124.216 -2.616 1
1 711 . 7 1 1 A 70 70 SER H H 70 8.610 9.001 -0.391 1
1 712 . 7 1 1 A 70 70 SER HA H 70 5.210 5.101 0.109 1
1 715 . 7 1 1 A 70 70 SER C C 70 171.900 172.680 -0.780 1
1 716 . 7 1 1 A 70 70 SER CA C 70 56.600 56.631 -0.031 1
1 717 . 7 1 1 A 70 70 SER CB C 70 65.600 66.144 -0.544 1
1 718 . 7 1 1 A 70 70 SER N N 70 120.600 119.615 0.985 1
1 719 . 7 1 1 A 71 71 CYS H H 71 9.280 8.566 0.714 1
1 720 . 7 1 1 A 71 71 CYS HA H 71 4.130 4.563 -0.433 1
1 723 . 7 1 1 A 71 71 CYS C C 71 178.600 175.218 3.382 1
1 724 . 7 1 1 A 71 71 CYS CA C 71 61.600 58.132 3.468 1
1 725 . 7 1 1 A 71 71 CYS CB C 71 31.300 26.488 4.812 1
1 726 . 7 1 1 A 71 71 CYS N N 71 126.700 122.256 4.444 1
1 727 . 7 1 1 A 72 72 GLY H H 72 9.140 8.347 0.793 1
1 728 . 7 1 1 A 72 72 GLY HA2 H 72 3.760 3.867 -0.107 1
1 729 . 7 1 1 A 72 72 GLY HA3 H 72 3.670 3.873 -0.203 1
1 730 . 7 1 1 A 72 72 GLY C C 72 172.500 176.007 -3.507 1
1 731 . 7 1 1 A 72 72 GLY CA C 72 46.200 47.243 -1.043 1
1 732 . 7 1 1 A 72 72 GLY N N 72 120.100 113.763 6.337 1
1 733 . 7 1 1 A 73 73 LYS H H 73 9.090 7.993 1.097 1
1 734 . 7 1 1 A 73 73 LYS HA H 73 4.210 4.032 0.178 1
1 742 . 7 1 1 A 73 73 LYS C C 73 177.600 178.303 -0.703 1
1 743 . 7 1 1 A 73 73 LYS CA C 73 56.600 59.100 -2.500 1
1 744 . 7 1 1 A 73 73 LYS CB C 73 32.700 32.094 0.606 1
1 748 . 7 1 1 A 73 73 LYS N N 73 124.400 120.981 3.419 1
1 749 . 7 1 1 A 74 74 CYS H H 74 8.590 7.606 0.984 1
1 750 . 7 1 1 A 74 74 CYS HA H 74 4.910 4.590 0.320 1
1 753 . 7 1 1 A 74 74 CYS C C 74 177.400 175.386 2.014 1
1 754 . 7 1 1 A 74 74 CYS CA C 74 58.900 58.921 -0.021 1
1 755 . 7 1 1 A 74 74 CYS CB C 74 33.300 29.944 3.356 1
1 756 . 7 1 1 A 74 74 CYS N N 74 119.700 114.896 4.804 1
1 757 . 7 1 1 A 75 75 GLY H H 75 7.760 8.778 -1.018 1
1 758 . 7 1 1 A 75 75 GLY HA2 H 75 4.210 3.971 0.239 1
1 759 . 7 1 1 A 75 75 GLY HA3 H 75 3.750 3.974 -0.224 1
1 760 . 7 1 1 A 75 75 GLY C C 75 174.000 174.079 -0.079 1
1 761 . 7 1 1 A 75 75 GLY CA C 75 46.100 46.556 -0.456 1
1 762 . 7 1 1 A 75 75 GLY N N 75 113.000 111.124 1.876 1
1 763 . 7 1 1 A 76 76 ASN H H 76 9.050 7.768 1.282 1
1 764 . 7 1 1 A 76 76 ASN HA H 76 4.500 5.142 -0.642 1
1 769 . 7 1 1 A 76 76 ASN C C 76 178.700 174.209 4.491 1
1 770 . 7 1 1 A 76 76 ASN CA C 76 54.700 51.567 3.133 1
1 771 . 7 1 1 A 76 76 ASN CB C 76 39.800 40.632 -0.832 1
1 772 . 7 1 1 A 76 76 ASN N N 76 123.700 118.530 5.170 1
1 774 . 7 1 1 A 77 77 GLY H H 77 8.660 8.465 0.195 1
1 775 . 7 1 1 A 77 77 GLY HA2 H 77 3.970 4.294 -0.324 1
1 776 . 7 1 1 A 77 77 GLY HA3 H 77 3.710 4.308 -0.598 1
1 777 . 7 1 1 A 77 77 GLY C C 77 173.800 174.416 -0.616 1
1 778 . 7 1 1 A 77 77 GLY CA C 77 47.300 45.715 1.585 1
1 779 . 7 1 1 A 77 77 GLY N N 77 115.600 107.845 7.755 1
1 780 . 7 1 1 A 78 78 LEU H H 78 8.600 8.677 -0.077 1
1 781 . 7 1 1 A 78 78 LEU HA H 78 4.810 4.981 -0.171 1
1 791 . 7 1 1 A 78 78 LEU C C 78 173.800 176.872 -3.072 1
1 792 . 7 1 1 A 78 78 LEU CA C 78 54.900 54.340 0.560 1
1 793 . 7 1 1 A 78 78 LEU CB C 78 45.000 43.976 1.024 1
1 797 . 7 1 1 A 78 78 LEU N N 78 122.700 119.599 3.101 1
1 798 . 7 1 1 A 79 79 GLY H H 79 7.100 7.651 -0.551 1
1 799 . 7 1 1 A 79 79 GLY HA2 H 79 4.650 4.125 0.525 1
1 800 . 7 1 1 A 79 79 GLY HA3 H 79 3.020 4.184 -1.164 1
1 801 . 7 1 1 A 79 79 GLY C C 79 173.000 173.163 -0.163 1
1 802 . 7 1 1 A 79 79 GLY CA C 79 44.900 44.163 0.737 1
1 803 . 7 1 1 A 79 79 GLY N N 79 102.400 107.994 -5.594 1
1 804 . 7 1 1 A 80 80 HIS H H 80 8.580 8.856 -0.276 1
1 805 . 7 1 1 A 80 80 HIS HA H 80 5.470 5.468 0.002 1
1 810 . 7 1 1 A 80 80 HIS C C 80 172.300 173.885 -1.585 1
1 811 . 7 1 1 A 80 80 HIS CA C 80 55.000 54.591 0.409 1
1 812 . 7 1 1 A 80 80 HIS CB C 80 34.500 34.704 -0.204 1
1 813 . 7 1 1 A 80 80 HIS N N 80 122.400 119.019 3.381 1
1 814 . 7 1 1 A 81 81 GLU H H 81 9.260 9.296 -0.036 1
1 815 . 7 1 1 A 81 81 GLU HA H 81 4.100 4.981 -0.881 1
1 820 . 7 1 1 A 81 81 GLU C C 81 174.300 175.506 -1.206 1
1 821 . 7 1 1 A 81 81 GLU CA C 81 54.700 55.463 -0.763 1
1 822 . 7 1 1 A 81 81 GLU CB C 81 31.600 33.310 -1.710 1
1 824 . 7 1 1 A 81 81 GLU N N 81 123.700 121.198 2.502 1
1 825 . 7 1 1 A 82 82 PHE H H 82 9.150 8.963 0.187 1
1 826 . 7 1 1 A 82 82 PHE HA H 82 5.080 4.774 0.306 1
1 830 . 7 1 1 A 82 82 PHE C C 82 174.300 174.824 -0.524 1
1 831 . 7 1 1 A 82 82 PHE CA C 82 56.700 58.346 -1.646 1
1 832 . 7 1 1 A 82 82 PHE CB C 82 38.800 38.637 0.163 1
1 833 . 7 1 1 A 82 82 PHE N N 82 126.900 128.218 -1.318 1
1 834 . 7 1 1 A 83 83 LEU H H 83 8.280 8.643 -0.363 1
1 835 . 7 1 1 A 83 83 LEU HA H 83 4.100 4.772 -0.672 1
1 845 . 7 1 1 A 83 83 LEU C C 83 176.200 175.549 0.651 1
1 846 . 7 1 1 A 83 83 LEU CA C 83 55.500 53.014 2.486 1
1 847 . 7 1 1 A 83 83 LEU CB C 83 42.000 44.875 -2.875 1
1 849 . 7 1 1 A 83 83 LEU N N 83 126.900 125.896 1.004 1
1 850 . 7 1 1 A 84 84 ASN H H 84 9.260 8.769 0.491 1
1 851 . 7 1 1 A 84 84 ASN HA H 84 4.290 4.416 -0.126 1
1 856 . 7 1 1 A 84 84 ASN C C 84 174.400 174.394 0.006 1
1 857 . 7 1 1 A 84 84 ASN CA C 84 54.800 54.927 -0.127 1
1 858 . 7 1 1 A 84 84 ASN CB C 84 37.900 36.910 0.990 1
1 859 . 7 1 1 A 84 84 ASN N N 84 116.900 117.089 -0.189 1
1 861 . 7 1 1 A 85 85 ASP H H 85 7.140 8.045 -0.905 1
1 862 . 7 1 1 A 85 85 ASP HA H 85 5.200 4.915 0.285 1
1 865 . 7 1 1 A 85 85 ASP C C 85 176.000 176.357 -0.357 1
1 866 . 7 1 1 A 85 85 ASP CA C 85 53.800 54.802 -1.002 1
1 867 . 7 1 1 A 85 85 ASP CB C 85 45.500 43.021 2.479 1
1 868 . 7 1 1 A 85 85 ASP N N 85 117.200 118.057 -0.857 1
1 869 . 7 1 1 A 86 86 GLY H H 86 8.230 8.063 0.167 1
1 870 . 7 1 1 A 86 86 GLY HA2 H 86 4.140 4.506 -0.366 1
1 871 . 7 1 1 A 86 86 GLY HA3 H 86 3.280 4.512 -1.232 1
1 872 . 7 1 1 A 86 86 GLY C C 86 171.700 173.905 -2.205 1
1 873 . 7 1 1 A 86 86 GLY CA C 86 44.600 46.617 -2.017 1
1 874 . 7 1 1 A 86 86 GLY N N 86 107.600 106.637 0.963 1
1 875 . 7 1 1 A 87 87 PRO HA H 87 4.190 4.391 -0.201 1
1 882 . 7 1 1 A 87 87 PRO C C 87 177.000 178.339 -1.339 1
1 883 . 7 1 1 A 87 87 PRO CA C 87 65.200 64.647 0.553 1
1 884 . 7 1 1 A 87 87 PRO CB C 87 31.700 32.184 -0.484 1
1 887 . 7 1 1 A 88 88 LYS H H 88 7.310 8.118 -0.808 1
1 888 . 7 1 1 A 88 88 LYS HA H 88 4.480 4.357 0.123 1
1 897 . 7 1 1 A 88 88 LYS C C 88 175.700 177.367 -1.667 1
1 898 . 7 1 1 A 88 88 LYS CA C 88 53.700 58.380 -4.680 1
1 899 . 7 1 1 A 88 88 LYS CB C 88 34.900 32.890 2.010 1
1 903 . 7 1 1 A 88 88 LYS N N 88 116.200 116.708 -0.508 1
1 904 . 7 1 1 A 89 89 ARG H H 89 8.320 7.754 0.566 1
1 905 . 7 1 1 A 89 89 ARG HA H 89 4.010 4.395 -0.385 1
1 912 . 7 1 1 A 89 89 ARG C C 89 177.500 177.474 0.026 1
1 913 . 7 1 1 A 89 89 ARG CA C 89 57.900 56.738 1.162 1
1 914 . 7 1 1 A 89 89 ARG CB C 89 32.100 31.047 1.053 1
1 917 . 7 1 1 A 89 89 ARG N N 89 122.200 119.335 2.865 1
1 919 . 7 1 1 A 90 90 GLY H H 90 8.950 8.601 0.349 1
1 920 . 7 1 1 A 90 90 GLY HA2 H 90 4.240 3.969 0.271 1
1 921 . 7 1 1 A 90 90 GLY HA3 H 90 3.850 3.973 -0.123 1
1 922 . 7 1 1 A 90 90 GLY C C 90 175.000 174.281 0.719 1
1 923 . 7 1 1 A 90 90 GLY CA C 90 45.100 45.267 -0.167 1
1 924 . 7 1 1 A 90 90 GLY N N 90 115.100 111.499 3.601 1
1 925 . 7 1 1 A 91 91 GLN H H 91 8.120 7.685 0.435 1
1 926 . 7 1 1 A 91 91 GLN HA H 91 4.580 4.311 0.269 1
1 933 . 7 1 1 A 91 91 GLN C C 91 177.000 175.064 1.936 1
1 934 . 7 1 1 A 91 91 GLN CA C 91 55.900 56.892 -0.992 1
1 935 . 7 1 1 A 91 91 GLN CB C 91 31.000 29.733 1.267 1
1 937 . 7 1 1 A 91 91 GLN N N 91 120.900 120.822 0.078 1
1 938 . 7 1 1 A 92 92 SER H H 92 9.210 8.878 0.332 1
1 939 . 7 1 1 A 92 92 SER HA H 92 4.820 5.140 -0.320 1
1 942 . 7 1 1 A 92 92 SER C C 92 171.600 172.964 -1.364 1
1 943 . 7 1 1 A 92 92 SER CA C 92 57.700 58.041 -0.341 1
1 944 . 7 1 1 A 92 92 SER CB C 92 65.200 65.852 -0.652 1
1 945 . 7 1 1 A 92 92 SER N N 92 120.900 115.899 5.001 1
1 946 . 7 1 1 A 93 93 ARG H H 93 7.820 9.028 -1.208 1
1 947 . 7 1 1 A 93 93 ARG HA H 93 4.950 5.108 -0.158 1
1 952 . 7 1 1 A 93 93 ARG C C 93 176.400 174.895 1.505 1
1 953 . 7 1 1 A 93 93 ARG CA C 93 55.200 55.167 0.033 1
1 954 . 7 1 1 A 93 93 ARG CB C 93 34.600 31.688 2.912 1
1 957 . 7 1 1 A 93 93 ARG N N 93 117.800 123.324 -5.524 1
1 958 . 7 1 1 A 94 94 PHE H H 94 9.860 8.903 0.957 1
1 959 . 7 1 1 A 94 94 PHE HA H 94 4.780 5.417 -0.637 1
1 962 . 7 1 1 A 94 94 PHE C C 94 176.400 173.350 3.050 1
1 963 . 7 1 1 A 94 94 PHE CA C 94 58.300 55.606 2.694 1
1 964 . 7 1 1 A 94 94 PHE CB C 94 38.500 41.736 -3.236 1
1 965 . 7 1 1 A 94 94 PHE N N 94 127.100 125.491 1.609 1
1 966 . 7 1 1 A 95 95 CYS H H 95 9.190 8.679 0.511 1
1 967 . 7 1 1 A 95 95 CYS HA H 95 4.810 4.911 -0.101 1
1 970 . 7 1 1 A 95 95 CYS CA C 95 57.300 56.656 0.644 1
1 971 . 7 1 1 A 95 95 CYS CB C 95 28.700 30.810 -2.110 1
1 972 . 7 1 1 A 95 95 CYS N N 95 128.200 127.170 1.030 1
1 973 . 7 1 1 A 96 96 ILE H H 96 7.510 8.600 -1.090 1
1 974 . 7 1 1 A 96 96 ILE HA H 96 4.620 4.976 -0.356 1
1 983 . 7 1 1 A 96 96 ILE C C 96 173.700 174.262 -0.562 1
1 984 . 7 1 1 A 96 96 ILE CA C 96 55.800 58.649 -2.849 1
1 985 . 7 1 1 A 96 96 ILE CB C 96 39.900 41.734 -1.834 1
1 989 . 7 1 1 A 96 96 ILE N N 96 130.700 125.796 4.904 1
1 990 . 7 1 1 A 97 97 PHE H H 97 8.040 8.747 -0.707 1
1 991 . 7 1 1 A 97 97 PHE HA H 97 4.920 4.734 0.186 1
1 994 . 7 1 1 A 97 97 PHE C C 97 178.800 177.015 1.785 1
1 995 . 7 1 1 A 97 97 PHE CA C 97 57.500 58.121 -0.621 1
1 996 . 7 1 1 A 97 97 PHE CB C 97 38.400 39.735 -1.335 1
1 997 . 7 1 1 A 97 97 PHE N N 97 122.400 125.150 -2.750 1
1 998 . 7 1 1 A 98 98 SER HA H 98 4.380 4.438 -0.058 1
1 1001 . 7 1 1 A 98 98 SER C C 98 176.400 176.249 0.151 1
1 1002 . 7 1 1 A 98 98 SER CA C 98 64.900 60.321 4.579 1
1 1003 . 7 1 1 A 98 98 SER CB C 98 63.600 63.682 -0.082 1
1 1004 . 7 1 1 A 99 99 SER H H 99 9.360 7.929 1.431 1
1 1005 . 7 1 1 A 99 99 SER HA H 99 4.300 4.232 0.068 1
1 1008 . 7 1 1 A 99 99 SER C C 99 175.800 177.067 -1.267 1
1 1009 . 7 1 1 A 99 99 SER CA C 99 60.200 61.121 -0.921 1
1 1010 . 7 1 1 A 99 99 SER CB C 99 62.700 62.997 -0.297 1
1 1011 . 7 1 1 A 99 99 SER N N 99 114.100 116.995 -2.895 1
1 1012 . 7 1 1 A 100 100 SER H H 100 8.150 7.985 0.165 1
1 1013 . 7 1 1 A 100 100 SER HA H 100 4.630 4.414 0.216 1
1 1016 . 7 1 1 A 100 100 SER C C 100 173.500 174.279 -0.779 1
1 1017 . 7 1 1 A 100 100 SER CA C 100 60.400 60.926 -0.526 1
1 1018 . 7 1 1 A 100 100 SER CB C 100 63.600 64.112 -0.512 1
1 1019 . 7 1 1 A 100 100 SER N N 100 118.700 114.726 3.974 1
1 1020 . 7 1 1 A 101 101 LEU H H 101 8.100 7.762 0.338 1
1 1021 . 7 1 1 A 101 101 LEU HA H 101 5.570 4.701 0.869 1
1 1031 . 7 1 1 A 101 101 LEU C C 101 176.000 174.408 1.592 1
1 1032 . 7 1 1 A 101 101 LEU CA C 101 53.400 54.144 -0.744 1
1 1033 . 7 1 1 A 101 101 LEU CB C 101 46.700 43.816 2.884 1
1 1036 . 7 1 1 A 101 101 LEU N N 101 122.000 116.655 5.345 1
1 1037 . 7 1 1 A 102 102 LYS H H 102 8.950 8.119 0.831 1
1 1038 . 7 1 1 A 102 102 LYS HA H 102 4.710 5.055 -0.345 1
1 1045 . 7 1 1 A 102 102 LYS C C 102 174.400 174.672 -0.272 1
1 1046 . 7 1 1 A 102 102 LYS CA C 102 55.400 54.374 1.026 1
1 1047 . 7 1 1 A 102 102 LYS CB C 102 36.500 36.959 -0.459 1
1 1051 . 7 1 1 A 102 102 LYS N N 102 119.500 118.399 1.101 1
1 1052 . 7 1 1 A 103 103 PHE H H 103 9.010 9.004 0.006 1
1 1053 . 7 1 1 A 103 103 PHE HA H 103 4.750 5.367 -0.617 1
1 1056 . 7 1 1 A 103 103 PHE C C 103 173.900 173.899 0.001 1
1 1057 . 7 1 1 A 103 103 PHE CA C 103 57.100 55.925 1.175 1
1 1058 . 7 1 1 A 103 103 PHE CB C 103 41.300 42.125 -0.825 1
1 1059 . 7 1 1 A 103 103 PHE N N 103 124.500 122.749 1.751 1
1 1060 . 7 1 1 A 104 104 VAL H H 104 8.550 8.514 0.036 1
1 1061 . 7 1 1 A 104 104 VAL HA H 104 4.140 4.549 -0.409 1
1 1069 . 7 1 1 A 104 104 VAL C C 104 172.800 174.310 -1.510 1
1 1070 . 7 1 1 A 104 104 VAL CA C 104 58.800 59.153 -0.353 1
1 1071 . 7 1 1 A 104 104 VAL CB C 104 32.300 32.167 0.133 1
1 1074 . 7 1 1 A 104 104 VAL N N 104 132.000 127.175 4.825 1
1 1075 . 7 1 1 A 105 105 PRO HA H 105 4.110 4.668 -0.558 1
1 1082 . 7 1 1 A 105 105 PRO C C 105 176.400 177.050 -0.650 1
1 1083 . 7 1 1 A 105 105 PRO CA C 105 62.400 62.749 -0.349 1
1 1084 . 7 1 1 A 105 105 PRO CB C 105 32.400 32.165 0.235 1
1 1087 . 7 1 1 A 106 106 LYS H H 106 7.900 8.401 -0.501 1
1 1088 . 7 1 1 A 106 106 LYS HA H 106 4.170 4.578 -0.408 1
1 1096 . 7 1 1 A 106 106 LYS C C 106 176.900 176.249 0.651 1
1 1097 . 7 1 1 A 106 106 LYS CA C 106 56.700 56.227 0.473 1
1 1098 . 7 1 1 A 106 106 LYS CB C 106 33.500 33.486 0.014 1
1 1102 . 7 1 1 A 106 106 LYS N N 106 123.200 121.419 1.781 1
1 1103 . 7 1 1 A 107 107 GLY H H 107 8.740 8.401 0.339 1
1 1104 . 7 1 1 A 107 107 GLY HA2 H 107 3.930 4.196 -0.266 1
1 1105 . 7 1 1 A 107 107 GLY HA3 H 107 3.960 4.208 -0.248 1
1 1106 . 7 1 1 A 107 107 GLY C C 107 174.000 175.470 -1.470 1
1 1107 . 7 1 1 A 107 107 GLY CA C 107 45.000 45.564 -0.564 1
1 1108 . 7 1 1 A 107 107 GLY N N 107 113.500 108.308 5.192 1
1 1109 . 7 1 1 A 108 108 LYS H H 108 8.240 8.091 0.149 1
1 1110 . 7 1 1 A 108 108 LYS HA H 108 4.290 4.167 0.123 1
1 1118 . 7 1 1 A 108 108 LYS C C 108 176.700 178.462 -1.762 1
1 1119 . 7 1 1 A 108 108 LYS CA C 108 56.000 58.270 -2.270 1
1 1120 . 7 1 1 A 108 108 LYS CB C 108 32.700 32.820 -0.120 1
1 1124 . 7 1 1 A 108 108 LYS N N 108 121.500 118.818 2.682 1
1 1125 . 7 1 1 A 109 109 GLU H H 109 8.650 7.955 0.695 1
1 1126 . 7 1 1 A 109 109 GLU HA H 109 4.180 3.985 0.195 1
1 1131 . 7 1 1 A 109 109 GLU C C 109 176.500 176.207 0.293 1
1 1132 . 7 1 1 A 109 109 GLU CA C 109 56.600 59.133 -2.533 1
1 1133 . 7 1 1 A 109 109 GLU CB C 109 29.900 28.965 0.935 1
1 1135 . 7 1 1 A 109 109 GLU N N 109 122.800 118.599 4.201 1
1 1136 . 7 1 1 A 110 110 ALA H H 110 8.400 8.021 0.379 1
1 1137 . 7 1 1 A 110 110 ALA HA H 110 4.190 4.045 0.145 1
1 1141 . 7 1 1 A 110 110 ALA CA C 110 52.500 53.358 -0.858 1
1 1142 . 7 1 1 A 110 110 ALA CB C 110 19.000 17.230 1.770 1
1 1143 . 7 1 1 A 110 110 ALA N N 110 126.100 121.186 4.914 1
1 1144 . 7 1 1 A 111 111 ALA H H 111 8.240 8.503 -0.263 1
1 1145 . 7 1 1 A 111 111 ALA HA H 111 4.220 4.020 0.200 1
1 1149 . 7 1 1 A 111 111 ALA C C 111 177.800 176.648 1.152 1
1 1150 . 7 1 1 A 111 111 ALA CA C 111 52.600 53.203 -0.603 1
1 1151 . 7 1 1 A 111 111 ALA CB C 111 19.000 17.395 1.605 1
1 1152 . 7 1 1 A 111 111 ALA N N 111 123.800 111.434 12.366 1
1 1153 . 7 1 1 A 112 112 ALA H H 112 8.220 8.384 -0.164 1
1 1154 . 7 1 1 A 112 112 ALA HA H 112 4.250 4.065 0.185 1
1 1158 . 7 1 1 A 112 112 ALA C C 112 178.100 176.782 1.318 1
1 1159 . 7 1 1 A 112 112 ALA CA C 112 52.600 52.805 -0.205 1
1 1160 . 7 1 1 A 112 112 ALA CB C 112 19.100 17.910 1.190 1
1 1161 . 7 1 1 A 112 112 ALA N N 112 123.600 112.470 11.130 1
1 1162 . 7 1 1 A 113 113 SER H H 113 8.200 7.758 0.442 1
1 1163 . 7 1 1 A 113 113 SER HA H 113 4.360 4.543 -0.183 1
1 1166 . 7 1 1 A 113 113 SER C C 113 174.800 174.472 0.328 1
1 1167 . 7 1 1 A 113 113 SER CA C 113 58.300 57.904 0.396 1
1 1168 . 7 1 1 A 113 113 SER CB C 113 63.500 64.672 -1.172 1
1 1169 . 7 1 1 A 113 113 SER N N 113 115.400 113.978 1.422 1
1 1170 . 7 1 1 A 114 114 GLN H H 114 8.320 8.440 -0.120 1
1 1171 . 7 1 1 A 114 114 GLN HA H 114 4.290 4.663 -0.373 1
1 1178 . 7 1 1 A 114 114 GLN C C 114 176.500 176.001 0.499 1
1 1179 . 7 1 1 A 114 114 GLN CA C 114 55.900 55.391 0.509 1
1 1180 . 7 1 1 A 114 114 GLN CB C 114 29.300 30.735 -1.435 1
1 1182 . 7 1 1 A 114 114 GLN N N 114 122.500 120.998 1.502 1
1 1183 . 7 1 1 A 115 115 GLY H H 115 8.370 8.459 -0.089 1
1 1184 . 7 1 1 A 115 115 GLY HA2 H 115 3.850 4.467 -0.617 1
1 1185 . 7 1 1 A 115 115 GLY HA3 H 115 3.850 4.537 -0.687 1
1 1186 . 7 1 1 A 115 115 GLY C C 115 173.900 172.830 1.070 1
1 1187 . 7 1 1 A 115 115 GLY CA C 115 45.400 45.007 0.393 1
1 1188 . 7 1 1 A 115 115 GLY N N 115 110.000 108.323 1.677 1
1 1189 . 7 1 1 A 116 116 HIS H H 116 8.290 8.854 -0.564 1
1 1190 . 7 1 1 A 116 116 HIS HA H 116 4.620 5.152 -0.532 1
1 1195 . 7 1 1 A 116 116 HIS C C 116 174.600 173.639 0.961 1
1 1196 . 7 1 1 A 116 116 HIS CA C 116 55.500 55.038 0.462 1
1 1197 . 7 1 1 A 116 116 HIS CB C 116 29.100 32.035 -2.935 1
1 1198 . 7 1 1 A 116 116 HIS N N 116 119.100 114.545 4.555 1
1 1199 . 7 1 1 A 117 117 LEU H H 117 8.220 8.506 -0.286 1
1 1200 . 7 1 1 A 117 117 LEU HA H 117 4.240 4.081 0.159 1
1 1210 . 7 1 1 A 117 117 LEU C C 117 174.600 176.465 -1.865 1
1 1211 . 7 1 1 A 117 117 LEU CA C 117 55.100 54.699 0.401 1
1 1212 . 7 1 1 A 117 117 LEU CB C 117 42.300 42.886 -0.586 1
1 1216 . 7 1 1 A 117 117 LEU N N 117 124.100 119.929 4.171 1
1 1217 . 7 1 1 A 118 118 GLU H H 118 8.350 8.867 -0.517 1
1 1218 . 7 1 1 A 118 118 GLU HA H 118 4.160 5.218 -1.058 1
1 1223 . 7 1 1 A 118 118 GLU C C 118 176.000 174.612 1.388 1
1 1224 . 7 1 1 A 118 118 GLU CA C 118 56.300 54.592 1.708 1
1 1225 . 7 1 1 A 118 118 GLU CB C 118 30.300 33.838 -3.538 1
1 1227 . 7 1 1 A 118 118 GLU N N 118 122.300 115.267 7.033 1
1 1228 . 7 1 1 A 119 119 HIS H H 119 8.410 9.183 -0.773 1
1 1229 . 7 1 1 A 119 119 HIS HA H 119 4.570 5.464 -0.894 1
1 1232 . 7 1 1 A 119 119 HIS C C 119 174.500 172.604 1.896 1
1 1233 . 7 1 1 A 119 119 HIS CA C 119 55.400 54.180 1.220 1
1 1234 . 7 1 1 A 119 119 HIS CB C 119 29.400 32.489 -3.089 1
1 1235 . 7 1 1 A 119 119 HIS N N 119 120.500 116.407 4.093 1
1 1236 . 7 1 1 A 120 120 HIS H H 120 8.530 8.732 -0.202 1
1 1237 . 7 1 1 A 120 120 HIS HA H 120 4.640 5.227 -0.587 1
1 1240 . 7 1 1 A 120 120 HIS C C 120 174.400 173.198 1.202 1
1 1241 . 7 1 1 A 120 120 HIS CA C 120 57.900 53.928 3.972 1
1 1242 . 7 1 1 A 120 120 HIS CB C 120 29.400 32.466 -3.066 1
1 1 . 8 1 1 A 3 3 PHE HA H 3 4.650 4.963 -0.313 1
1 4 . 8 1 1 A 3 3 PHE C C 3 174.500 175.573 -1.073 1
1 5 . 8 1 1 A 3 3 PHE CA C 3 57.800 56.651 1.149 1
1 6 . 8 1 1 A 3 3 PHE CB C 3 39.600 41.620 -2.020 1
1 7 . 8 1 1 A 4 4 CYS H H 4 8.270 8.751 -0.481 1
1 8 . 8 1 1 A 4 4 CYS HA H 4 4.380 4.704 -0.324 1
1 11 . 8 1 1 A 4 4 CYS C C 4 173.800 174.819 -1.019 1
1 12 . 8 1 1 A 4 4 CYS CA C 4 58.100 59.424 -1.324 1
1 13 . 8 1 1 A 4 4 CYS CB C 4 28.100 29.217 -1.117 1
1 14 . 8 1 1 A 4 4 CYS N N 4 122.600 118.361 4.239 1
1 15 . 8 1 1 A 5 5 SER H H 5 8.250 8.000 0.250 1
1 16 . 8 1 1 A 5 5 SER HA H 5 4.270 4.667 -0.397 1
1 19 . 8 1 1 A 5 5 SER C C 5 173.700 174.091 -0.391 1
1 20 . 8 1 1 A 5 5 SER CA C 5 58.300 57.550 0.750 1
1 21 . 8 1 1 A 5 5 SER CB C 5 63.700 63.984 -0.284 1
1 22 . 8 1 1 A 5 5 SER N N 5 119.600 115.818 3.782 1
1 23 . 8 1 1 A 6 6 PHE H H 6 8.010 8.274 -0.264 1
1 24 . 8 1 1 A 6 6 PHE HA H 6 4.560 4.090 0.470 1
1 28 . 8 1 1 A 6 6 PHE C C 6 173.700 173.753 -0.053 1
1 29 . 8 1 1 A 6 6 PHE CA C 6 57.600 59.045 -1.445 1
1 30 . 8 1 1 A 6 6 PHE CB C 6 39.700 38.591 1.109 1
1 31 . 8 1 1 A 6 6 PHE N N 6 122.500 121.662 0.838 1
1 32 . 8 1 1 A 7 7 PHE H H 7 8.230 7.957 0.273 1
1 33 . 8 1 1 A 7 7 PHE HA H 7 4.530 5.223 -0.693 1
1 36 . 8 1 1 A 7 7 PHE C C 7 175.800 174.057 1.743 1
1 37 . 8 1 1 A 7 7 PHE CA C 7 57.600 56.105 1.495 1
1 38 . 8 1 1 A 7 7 PHE CB C 7 39.700 42.808 -3.108 1
1 39 . 8 1 1 A 7 7 PHE N N 7 123.000 121.167 1.833 1
1 40 . 8 1 1 A 8 8 GLY H H 8 7.870 7.618 0.252 1
1 41 . 8 1 1 A 8 8 GLY HA2 H 8 3.800 4.042 -0.242 1
1 42 . 8 1 1 A 8 8 GLY HA3 H 8 3.750 4.119 -0.369 1
1 43 . 8 1 1 A 8 8 GLY C C 8 174.300 174.293 0.007 1
1 44 . 8 1 1 A 8 8 GLY CA C 8 45.300 45.809 -0.509 1
1 45 . 8 1 1 A 8 8 GLY N N 8 111.200 109.187 2.013 1
1 46 . 8 1 1 A 9 9 GLY H H 9 7.930 7.298 0.632 1
1 47 . 8 1 1 A 9 9 GLY HA2 H 9 3.920 4.096 -0.176 1
1 48 . 8 1 1 A 9 9 GLY HA3 H 9 3.850 4.114 -0.264 1
1 49 . 8 1 1 A 9 9 GLY C C 9 175.200 172.534 2.666 1
1 50 . 8 1 1 A 9 9 GLY CA C 9 45.100 46.122 -1.022 1
1 51 . 8 1 1 A 9 9 GLY N N 9 108.400 104.284 4.116 1
1 52 . 8 1 1 A 10 10 GLU H H 10 8.400 8.045 0.355 1
1 53 . 8 1 1 A 10 10 GLU HA H 10 4.360 4.697 -0.337 1
1 58 . 8 1 1 A 10 10 GLU C C 10 178.400 176.255 2.145 1
1 59 . 8 1 1 A 10 10 GLU CA C 10 54.700 54.718 -0.018 1
1 60 . 8 1 1 A 10 10 GLU CB C 10 36.700 32.957 3.743 1
1 62 . 8 1 1 A 10 10 GLU N N 10 122.600 119.736 2.864 1
1 63 . 8 1 1 A 11 11 VAL H H 11 7.940 8.408 -0.468 1
1 64 . 8 1 1 A 11 11 VAL HA H 11 3.680 3.827 -0.147 1
1 72 . 8 1 1 A 11 11 VAL C C 11 176.600 177.500 -0.900 1
1 73 . 8 1 1 A 11 11 VAL CA C 11 63.800 64.063 -0.263 1
1 74 . 8 1 1 A 11 11 VAL CB C 11 31.200 31.751 -0.551 1
1 77 . 8 1 1 A 11 11 VAL N N 11 120.300 124.327 -4.027 1
1 78 . 8 1 1 A 12 12 PHE H H 12 7.730 7.838 -0.108 1
1 79 . 8 1 1 A 12 12 PHE HA H 12 5.200 4.374 0.826 1
1 83 . 8 1 1 A 12 12 PHE C C 12 177.100 177.236 -0.136 1
1 84 . 8 1 1 A 12 12 PHE CA C 12 55.700 61.181 -5.481 1
1 85 . 8 1 1 A 12 12 PHE CB C 12 38.200 38.941 -0.741 1
1 86 . 8 1 1 A 12 12 PHE N N 12 113.700 119.686 -5.986 1
1 87 . 8 1 1 A 13 13 GLN H H 13 8.080 8.339 -0.259 1
1 88 . 8 1 1 A 13 13 GLN HA H 13 3.270 4.254 -0.984 1
1 95 . 8 1 1 A 13 13 GLN C C 13 175.400 177.887 -2.487 1
1 96 . 8 1 1 A 13 13 GLN CA C 13 62.100 58.072 4.028 1
1 97 . 8 1 1 A 13 13 GLN CB C 13 27.100 29.099 -1.999 1
1 99 . 8 1 1 A 13 13 GLN N N 13 126.400 116.405 9.995 1
1 100 . 8 1 1 A 14 14 ASN H H 14 8.580 8.168 0.412 1
1 101 . 8 1 1 A 14 14 ASN HA H 14 5.010 4.882 0.128 1
1 106 . 8 1 1 A 14 14 ASN C C 14 173.000 176.022 -3.022 1
1 107 . 8 1 1 A 14 14 ASN CA C 14 51.500 55.250 -3.750 1
1 108 . 8 1 1 A 14 14 ASN CB C 14 37.900 38.447 -0.547 1
1 109 . 8 1 1 A 14 14 ASN N N 14 115.900 117.365 -1.465 1
1 111 . 8 1 1 A 15 15 HIS H H 15 6.070 7.783 -1.713 1
1 112 . 8 1 1 A 15 15 HIS HA H 15 4.370 4.871 -0.501 1
1 117 . 8 1 1 A 15 15 HIS C C 15 174.400 175.436 -1.036 1
1 118 . 8 1 1 A 15 15 HIS CA C 15 56.600 55.437 1.163 1
1 119 . 8 1 1 A 15 15 HIS CB C 15 33.400 29.818 3.582 1
1 120 . 8 1 1 A 15 15 HIS N N 15 120.500 117.691 2.809 1
1 121 . 8 1 1 A 16 16 PHE H H 16 8.880 8.669 0.211 1
1 122 . 8 1 1 A 16 16 PHE HA H 16 4.870 4.831 0.039 1
1 125 . 8 1 1 A 16 16 PHE C C 16 174.300 175.537 -1.237 1
1 126 . 8 1 1 A 16 16 PHE CA C 16 57.100 56.347 0.753 1
1 127 . 8 1 1 A 16 16 PHE CB C 16 39.700 39.503 0.197 1
1 128 . 8 1 1 A 16 16 PHE N N 16 127.200 119.864 7.336 1
1 129 . 8 1 1 A 17 17 GLU H H 17 5.780 7.518 -1.738 1
1 130 . 8 1 1 A 17 17 GLU HA H 17 4.500 4.465 0.035 1
1 135 . 8 1 1 A 17 17 GLU C C 17 174.300 175.591 -1.291 1
1 136 . 8 1 1 A 17 17 GLU CA C 17 53.500 55.096 -1.596 1
1 137 . 8 1 1 A 17 17 GLU CB C 17 30.700 29.999 0.701 1
1 139 . 8 1 1 A 17 17 GLU N N 17 119.900 119.238 0.662 1
1 140 . 8 1 1 A 18 18 PRO HA H 18 4.630 4.374 0.256 1
1 147 . 8 1 1 A 18 18 PRO C C 18 178.100 177.415 0.685 1
1 148 . 8 1 1 A 18 18 PRO CA C 18 62.700 63.683 -0.983 1
1 149 . 8 1 1 A 18 18 PRO CB C 18 31.400 31.794 -0.394 1
1 152 . 8 1 1 A 19 19 GLY H H 19 8.820 8.763 0.057 1
1 153 . 8 1 1 A 19 19 GLY HA2 H 19 4.500 3.613 0.887 1
1 154 . 8 1 1 A 19 19 GLY HA3 H 19 3.630 3.804 -0.174 1
1 155 . 8 1 1 A 19 19 GLY C C 19 171.000 172.804 -1.804 1
1 156 . 8 1 1 A 19 19 GLY CA C 19 46.200 44.796 1.404 1
1 157 . 8 1 1 A 19 19 GLY N N 19 111.300 110.949 0.351 1
1 158 . 8 1 1 A 20 20 VAL H H 20 8.070 7.829 0.241 1
1 159 . 8 1 1 A 20 20 VAL HA H 20 4.750 5.120 -0.370 1
1 167 . 8 1 1 A 20 20 VAL C C 20 172.300 174.006 -1.706 1
1 168 . 8 1 1 A 20 20 VAL CA C 20 60.200 60.553 -0.353 1
1 169 . 8 1 1 A 20 20 VAL CB C 20 36.100 35.655 0.445 1
1 172 . 8 1 1 A 20 20 VAL N N 20 120.700 118.197 2.503 1
1 173 . 8 1 1 A 21 21 TYR H H 21 9.560 8.699 0.861 1
1 174 . 8 1 1 A 21 21 TYR HA H 21 5.230 5.564 -0.334 1
1 177 . 8 1 1 A 21 21 TYR C C 21 175.600 175.166 0.434 1
1 178 . 8 1 1 A 21 21 TYR CA C 21 56.800 56.156 0.644 1
1 179 . 8 1 1 A 21 21 TYR CB C 21 39.200 41.304 -2.104 1
1 180 . 8 1 1 A 21 21 TYR N N 21 123.200 121.962 1.238 1
1 181 . 8 1 1 A 22 22 VAL H H 22 9.400 8.656 0.744 1
1 182 . 8 1 1 A 22 22 VAL HA H 22 4.950 5.243 -0.293 1
1 190 . 8 1 1 A 22 22 VAL C C 22 174.000 174.520 -0.520 1
1 191 . 8 1 1 A 22 22 VAL CA C 22 57.100 59.083 -1.983 1
1 192 . 8 1 1 A 22 22 VAL CB C 22 33.900 35.717 -1.817 1
1 195 . 8 1 1 A 22 22 VAL N N 22 119.100 116.636 2.464 1
1 196 . 8 1 1 A 23 23 CYS H H 23 9.020 8.592 0.428 1
1 197 . 8 1 1 A 23 23 CYS HA H 23 4.260 4.676 -0.416 1
1 200 . 8 1 1 A 23 23 CYS C C 23 178.700 175.889 2.811 1
1 201 . 8 1 1 A 23 23 CYS CA C 23 60.600 59.522 1.078 1
1 202 . 8 1 1 A 23 23 CYS CB C 23 31.700 28.793 2.907 1
1 203 . 8 1 1 A 23 23 CYS N N 23 123.800 122.173 1.627 1
1 204 . 8 1 1 A 24 24 ALA H H 24 8.760 9.102 -0.342 1
1 205 . 8 1 1 A 24 24 ALA HA H 24 3.840 4.058 -0.218 1
1 209 . 8 1 1 A 24 24 ALA C C 24 177.500 179.780 -2.280 1
1 210 . 8 1 1 A 24 24 ALA CA C 24 55.000 55.504 -0.504 1
1 211 . 8 1 1 A 24 24 ALA CB C 24 18.700 18.536 0.164 1
1 212 . 8 1 1 A 24 24 ALA N N 24 131.900 129.136 2.764 1
1 213 . 8 1 1 A 25 25 LYS H H 25 9.200 7.863 1.337 1
1 214 . 8 1 1 A 25 25 LYS HA H 25 4.380 4.360 0.020 1
1 222 . 8 1 1 A 25 25 LYS C C 25 178.100 178.594 -0.494 1
1 223 . 8 1 1 A 25 25 LYS CA C 25 57.900 58.787 -0.887 1
1 224 . 8 1 1 A 25 25 LYS CB C 25 33.500 33.119 0.381 1
1 228 . 8 1 1 A 25 25 LYS N N 25 120.000 117.421 2.579 1
1 229 . 8 1 1 A 26 26 CYS H H 26 8.730 8.043 0.687 1
1 230 . 8 1 1 A 26 26 CYS HA H 26 5.000 4.224 0.776 1
1 233 . 8 1 1 A 26 26 CYS C C 26 177.000 175.235 1.765 1
1 234 . 8 1 1 A 26 26 CYS CA C 26 59.400 62.485 -3.085 1
1 235 . 8 1 1 A 26 26 CYS CB C 26 32.900 27.562 5.338 1
1 236 . 8 1 1 A 26 26 CYS N N 26 120.900 118.503 2.397 1
1 237 . 8 1 1 A 27 27 SER H H 27 8.170 8.168 0.002 1
1 238 . 8 1 1 A 27 27 SER HA H 27 4.140 4.458 -0.318 1
1 241 . 8 1 1 A 27 27 SER C C 27 174.800 173.814 0.986 1
1 242 . 8 1 1 A 27 27 SER CA C 27 60.900 59.407 1.493 1
1 243 . 8 1 1 A 27 27 SER CB C 27 61.600 61.062 0.538 1
1 244 . 8 1 1 A 27 27 SER N N 27 115.800 115.377 0.423 1
1 245 . 8 1 1 A 28 28 TYR H H 28 9.010 8.029 0.981 1
1 246 . 8 1 1 A 28 28 TYR HA H 28 4.420 4.504 -0.084 1
1 249 . 8 1 1 A 28 28 TYR C C 28 176.600 175.067 1.533 1
1 250 . 8 1 1 A 28 28 TYR CA C 28 59.300 57.670 1.630 1
1 251 . 8 1 1 A 28 28 TYR CB C 28 39.600 38.505 1.095 1
1 252 . 8 1 1 A 28 28 TYR N N 28 127.100 123.065 4.035 1
1 253 . 8 1 1 A 29 29 GLU H H 29 7.730 8.787 -1.057 1
1 254 . 8 1 1 A 29 29 GLU HA H 29 3.670 4.975 -1.305 1
1 259 . 8 1 1 A 29 29 GLU C C 29 174.900 176.763 -1.863 1
1 260 . 8 1 1 A 29 29 GLU CA C 29 58.700 56.873 1.827 1
1 261 . 8 1 1 A 29 29 GLU CB C 29 29.800 30.008 -0.208 1
1 263 . 8 1 1 A 29 29 GLU N N 29 124.500 126.965 -2.465 1
1 264 . 8 1 1 A 30 30 LEU H H 30 7.940 8.948 -1.008 1
1 265 . 8 1 1 A 30 30 LEU HA H 30 4.140 5.123 -0.983 1
1 274 . 8 1 1 A 30 30 LEU C C 30 175.400 175.606 -0.206 1
1 275 . 8 1 1 A 30 30 LEU CA C 30 56.200 53.633 2.567 1
1 276 . 8 1 1 A 30 30 LEU CB C 30 46.700 45.356 1.344 1
1 277 . 8 1 1 A 30 30 LEU N N 30 121.800 121.376 0.424 1
1 278 . 8 1 1 A 31 31 PHE H H 31 7.880 8.738 -0.858 1
1 279 . 8 1 1 A 31 31 PHE HA H 31 4.720 4.834 -0.114 1
1 282 . 8 1 1 A 31 31 PHE C C 31 174.600 174.037 0.563 1
1 283 . 8 1 1 A 31 31 PHE CA C 31 56.600 58.243 -1.643 1
1 284 . 8 1 1 A 31 31 PHE CB C 31 45.300 42.475 2.825 1
1 285 . 8 1 1 A 31 31 PHE N N 31 113.300 122.304 -9.004 1
1 286 . 8 1 1 A 32 32 SER H H 32 10.030 8.262 1.768 1
1 287 . 8 1 1 A 32 32 SER HA H 32 4.860 4.886 -0.026 1
1 290 . 8 1 1 A 32 32 SER CA C 32 57.000 56.605 0.395 1
1 291 . 8 1 1 A 32 32 SER CB C 32 63.700 65.832 -2.132 1
1 292 . 8 1 1 A 32 32 SER N N 32 118.700 116.811 1.889 1
1 293 . 8 1 1 A 33 33 SER H H 33 8.990 9.212 -0.222 1
1 294 . 8 1 1 A 33 33 SER HA H 33 4.840 4.833 0.007 1
1 297 . 8 1 1 A 33 33 SER C C 33 177.300 175.301 1.999 1
1 298 . 8 1 1 A 33 33 SER CA C 33 63.700 60.430 3.270 1
1 299 . 8 1 1 A 33 33 SER CB C 33 63.700 63.710 -0.010 1
1 300 . 8 1 1 A 33 33 SER N N 33 123.100 118.561 4.539 1
1 301 . 8 1 1 A 34 34 HIS HA H 34 4.710 4.203 0.507 1
1 304 . 8 1 1 A 34 34 HIS C C 34 175.800 177.142 -1.342 1
1 305 . 8 1 1 A 34 34 HIS CA C 34 57.900 58.115 -0.215 1
1 306 . 8 1 1 A 34 34 HIS CB C 34 28.600 30.530 -1.930 1
1 307 . 8 1 1 A 35 35 SER H H 35 7.960 7.784 0.176 1
1 308 . 8 1 1 A 35 35 SER HA H 35 4.820 4.309 0.511 1
1 311 . 8 1 1 A 35 35 SER C C 35 173.200 174.765 -1.565 1
1 312 . 8 1 1 A 35 35 SER CA C 35 58.100 60.973 -2.873 1
1 313 . 8 1 1 A 35 35 SER CB C 35 65.300 62.768 2.532 1
1 314 . 8 1 1 A 35 35 SER N N 35 114.500 111.847 2.653 1
1 315 . 8 1 1 A 36 36 LYS H H 36 7.630 7.456 0.174 1
1 316 . 8 1 1 A 36 36 LYS HA H 36 4.890 3.812 1.078 1
1 322 . 8 1 1 A 36 36 LYS C C 36 176.100 174.956 1.144 1
1 323 . 8 1 1 A 36 36 LYS CA C 36 55.400 54.981 0.419 1
1 324 . 8 1 1 A 36 36 LYS CB C 36 35.400 33.256 2.144 1
1 328 . 8 1 1 A 36 36 LYS N N 36 126.900 122.307 4.593 1
1 329 . 8 1 1 A 37 37 TYR H H 37 8.440 7.970 0.470 1
1 330 . 8 1 1 A 37 37 TYR HA H 37 5.100 5.496 -0.396 1
1 333 . 8 1 1 A 37 37 TYR C C 37 172.800 172.845 -0.045 1
1 334 . 8 1 1 A 37 37 TYR CA C 37 55.400 54.864 0.536 1
1 335 . 8 1 1 A 37 37 TYR CB C 37 41.000 41.290 -0.290 1
1 336 . 8 1 1 A 37 37 TYR N N 37 124.200 121.921 2.279 1
1 337 . 8 1 1 A 38 38 ALA H H 38 8.590 8.434 0.156 1
1 338 . 8 1 1 A 38 38 ALA HA H 38 4.630 4.709 -0.079 1
1 342 . 8 1 1 A 38 38 ALA C C 38 175.900 176.689 -0.789 1
1 343 . 8 1 1 A 38 38 ALA CA C 38 52.500 50.931 1.569 1
1 344 . 8 1 1 A 38 38 ALA CB C 38 18.300 19.942 -1.642 1
1 345 . 8 1 1 A 38 38 ALA N N 38 125.100 123.165 1.935 1
1 346 . 8 1 1 A 39 39 HIS H H 39 8.080 8.489 -0.409 1
1 347 . 8 1 1 A 39 39 HIS HA H 39 4.620 4.974 -0.354 1
1 352 . 8 1 1 A 39 39 HIS C C 39 174.100 172.351 1.749 1
1 353 . 8 1 1 A 39 39 HIS CA C 39 57.000 55.909 1.091 1
1 354 . 8 1 1 A 39 39 HIS CB C 39 34.600 33.818 0.782 1
1 355 . 8 1 1 A 39 39 HIS N N 39 125.600 121.278 4.322 1
1 356 . 8 1 1 A 40 40 SER H H 40 6.860 8.318 -1.458 1
1 357 . 8 1 1 A 40 40 SER HA H 40 4.060 4.830 -0.770 1
1 360 . 8 1 1 A 40 40 SER C C 40 174.900 173.030 1.870 1
1 361 . 8 1 1 A 40 40 SER CA C 40 58.800 57.396 1.404 1
1 362 . 8 1 1 A 40 40 SER CB C 40 62.700 63.890 -1.190 1
1 363 . 8 1 1 A 40 40 SER N N 40 118.700 122.322 -3.622 1
1 364 . 8 1 1 A 41 41 SER H H 41 9.140 8.780 0.360 1
1 365 . 8 1 1 A 41 41 SER HA H 41 4.480 4.906 -0.426 1
1 368 . 8 1 1 A 41 41 SER C C 41 173.600 171.243 2.357 1
1 369 . 8 1 1 A 41 41 SER CA C 41 57.800 56.217 1.583 1
1 370 . 8 1 1 A 41 41 SER CB C 41 63.600 65.162 -1.562 1
1 371 . 8 1 1 A 41 41 SER N N 41 122.500 119.860 2.640 1
1 372 . 8 1 1 A 42 42 PRO HA H 42 4.040 4.118 -0.078 1
1 379 . 8 1 1 A 42 42 PRO C C 42 174.900 176.720 -1.820 1
1 380 . 8 1 1 A 42 42 PRO CA C 42 63.700 63.267 0.433 1
1 381 . 8 1 1 A 42 42 PRO CB C 42 31.500 31.848 -0.348 1
1 384 . 8 1 1 A 43 43 TRP H H 43 6.590 7.914 -1.324 1
1 385 . 8 1 1 A 43 43 TRP HA H 43 4.850 4.141 0.709 1
1 394 . 8 1 1 A 43 43 TRP C C 43 174.100 174.984 -0.884 1
1 395 . 8 1 1 A 43 43 TRP CA C 43 57.300 57.679 -0.379 1
1 396 . 8 1 1 A 43 43 TRP CB C 43 29.500 27.421 2.079 1
1 397 . 8 1 1 A 43 43 TRP N N 43 113.900 117.481 -3.581 1
1 399 . 8 1 1 A 44 44 PRO HA H 44 3.810 4.663 -0.853 1
1 405 . 8 1 1 A 44 44 PRO C C 44 174.800 175.771 -0.971 1
1 406 . 8 1 1 A 44 44 PRO CA C 44 63.200 62.644 0.556 1
1 407 . 8 1 1 A 44 44 PRO CB C 44 32.200 32.740 -0.540 1
1 410 . 8 1 1 A 45 45 ALA H H 45 7.850 8.246 -0.396 1
1 411 . 8 1 1 A 45 45 ALA HA H 45 5.260 5.154 0.106 1
1 415 . 8 1 1 A 45 45 ALA C C 45 174.800 175.964 -1.164 1
1 416 . 8 1 1 A 45 45 ALA CA C 45 50.100 50.655 -0.555 1
1 417 . 8 1 1 A 45 45 ALA CB C 45 20.800 24.108 -3.308 1
1 418 . 8 1 1 A 45 45 ALA N N 45 126.700 120.584 6.116 1
1 419 . 8 1 1 A 46 46 PHE H H 46 8.080 8.805 -0.725 1
1 420 . 8 1 1 A 46 46 PHE HA H 46 5.860 4.897 0.963 1
1 424 . 8 1 1 A 46 46 PHE C C 46 177.800 176.423 1.377 1
1 425 . 8 1 1 A 46 46 PHE CA C 46 54.800 56.681 -1.881 1
1 426 . 8 1 1 A 46 46 PHE CB C 46 44.500 42.454 2.046 1
1 427 . 8 1 1 A 46 46 PHE N N 46 115.600 115.095 0.505 1
1 428 . 8 1 1 A 47 47 THR H H 47 9.190 8.375 0.815 1
1 429 . 8 1 1 A 47 47 THR HA H 47 5.220 4.199 1.021 1
1 434 . 8 1 1 A 47 47 THR C C 47 175.000 174.818 0.182 1
1 435 . 8 1 1 A 47 47 THR CA C 47 63.000 65.890 -2.890 1
1 436 . 8 1 1 A 47 47 THR CB C 47 70.500 68.723 1.777 1
1 438 . 8 1 1 A 47 47 THR N N 47 109.900 116.233 -6.333 1
1 439 . 8 1 1 A 48 48 GLU H H 48 7.320 7.939 -0.619 1
1 440 . 8 1 1 A 48 48 GLU HA H 48 4.920 4.714 0.206 1
1 445 . 8 1 1 A 48 48 GLU C C 48 175.400 173.955 1.445 1
1 446 . 8 1 1 A 48 48 GLU CA C 48 55.200 54.402 0.798 1
1 447 . 8 1 1 A 48 48 GLU CB C 48 31.900 32.200 -0.300 1
1 449 . 8 1 1 A 48 48 GLU N N 48 115.400 118.706 -3.306 1
1 450 . 8 1 1 A 49 49 THR H H 49 8.150 8.161 -0.011 1
1 451 . 8 1 1 A 49 49 THR HA H 49 4.090 4.863 -0.773 1
1 456 . 8 1 1 A 49 49 THR C C 49 175.800 174.660 1.140 1
1 457 . 8 1 1 A 49 49 THR CA C 49 60.000 59.695 0.305 1
1 458 . 8 1 1 A 49 49 THR CB C 49 70.400 71.569 -1.169 1
1 460 . 8 1 1 A 49 49 THR N N 49 111.400 108.354 3.046 1
1 461 . 8 1 1 A 50 50 ILE H H 50 7.720 8.285 -0.565 1
1 462 . 8 1 1 A 50 50 ILE HA H 50 3.630 4.125 -0.495 1
1 472 . 8 1 1 A 50 50 ILE C C 50 174.500 176.327 -1.827 1
1 473 . 8 1 1 A 50 50 ILE CA C 50 64.100 60.691 3.409 1
1 474 . 8 1 1 A 50 50 ILE CB C 50 38.700 37.946 0.754 1
1 478 . 8 1 1 A 50 50 ILE N N 50 121.700 121.902 -0.202 1
1 479 . 8 1 1 A 51 51 HIS H H 51 7.400 7.518 -0.118 1
1 480 . 8 1 1 A 51 51 HIS HA H 51 5.300 4.556 0.744 1
1 484 . 8 1 1 A 51 51 HIS C C 51 175.500 173.214 2.286 1
1 485 . 8 1 1 A 51 51 HIS CA C 51 51.800 55.191 -3.391 1
1 486 . 8 1 1 A 51 51 HIS CB C 51 29.700 29.188 0.512 1
1 487 . 8 1 1 A 51 51 HIS N N 51 115.500 123.164 -7.664 1
1 488 . 8 1 1 A 52 52 PRO HA H 52 4.350 4.320 0.030 1
1 495 . 8 1 1 A 52 52 PRO C C 52 176.900 176.292 0.608 1
1 496 . 8 1 1 A 52 52 PRO CA C 52 64.800 62.724 2.076 1
1 497 . 8 1 1 A 52 52 PRO CB C 52 31.300 32.683 -1.383 1
1 500 . 8 1 1 A 53 53 ASP H H 53 8.070 8.627 -0.557 1
1 501 . 8 1 1 A 53 53 ASP HA H 53 4.760 4.354 0.406 1
1 504 . 8 1 1 A 53 53 ASP C C 53 176.900 177.199 -0.299 1
1 505 . 8 1 1 A 53 53 ASP CA C 53 52.100 55.152 -3.052 1
1 506 . 8 1 1 A 53 53 ASP CB C 53 39.700 39.828 -0.128 1
1 507 . 8 1 1 A 53 53 ASP N N 53 114.300 122.257 -7.957 1
1 508 . 8 1 1 A 54 54 SER H H 54 7.720 7.995 -0.275 1
1 509 . 8 1 1 A 54 54 SER HA H 54 4.040 4.422 -0.382 1
1 512 . 8 1 1 A 54 54 SER C C 54 173.200 174.306 -1.106 1
1 513 . 8 1 1 A 54 54 SER CA C 54 64.100 60.096 4.004 1
1 514 . 8 1 1 A 54 54 SER CB C 54 64.200 63.526 0.674 1
1 515 . 8 1 1 A 54 54 SER N N 54 116.300 114.663 1.637 1
1 516 . 8 1 1 A 55 55 VAL H H 55 7.360 7.474 -0.114 1
1 517 . 8 1 1 A 55 55 VAL HA H 55 5.280 4.173 1.107 1
1 525 . 8 1 1 A 55 55 VAL C C 55 175.700 175.146 0.554 1
1 526 . 8 1 1 A 55 55 VAL CA C 55 57.300 61.312 -4.012 1
1 527 . 8 1 1 A 55 55 VAL CB C 55 34.800 33.141 1.659 1
1 530 . 8 1 1 A 55 55 VAL N N 55 105.200 119.301 -14.101 1
1 531 . 8 1 1 A 56 56 THR H H 56 8.780 8.462 0.318 1
1 532 . 8 1 1 A 56 56 THR HA H 56 4.530 5.072 -0.542 1
1 537 . 8 1 1 A 56 56 THR C C 56 173.800 173.023 0.777 1
1 538 . 8 1 1 A 56 56 THR CA C 56 60.500 60.122 0.378 1
1 539 . 8 1 1 A 56 56 THR CB C 56 70.400 72.090 -1.690 1
1 541 . 8 1 1 A 56 56 THR N N 56 116.000 116.790 -0.790 1
1 542 . 8 1 1 A 57 57 LYS H H 57 8.610 8.865 -0.255 1
1 543 . 8 1 1 A 57 57 LYS HA H 57 5.490 5.282 0.208 1
1 550 . 8 1 1 A 57 57 LYS C C 57 176.000 174.876 1.124 1
1 551 . 8 1 1 A 57 57 LYS CA C 57 54.600 54.017 0.583 1
1 552 . 8 1 1 A 57 57 LYS CB C 57 36.000 36.592 -0.592 1
1 556 . 8 1 1 A 57 57 LYS N N 57 121.900 124.431 -2.531 1
1 557 . 8 1 1 A 58 58 CYS H H 58 8.610 8.980 -0.370 1
1 558 . 8 1 1 A 58 58 CYS HA H 58 5.100 5.040 0.060 1
1 561 . 8 1 1 A 58 58 CYS CA C 58 55.200 56.476 -1.276 1
1 562 . 8 1 1 A 58 58 CYS CB C 58 29.700 30.560 -0.860 1
1 563 . 8 1 1 A 58 58 CYS N N 58 120.600 117.507 3.093 1
1 564 . 8 1 1 A 59 59 PRO HA H 59 4.590 4.503 0.087 1
1 571 . 8 1 1 A 59 59 PRO C C 59 176.600 176.844 -0.244 1
1 572 . 8 1 1 A 59 59 PRO CA C 59 63.700 62.344 1.356 1
1 573 . 8 1 1 A 59 59 PRO CB C 59 32.100 31.968 0.132 1
1 576 . 8 1 1 A 60 60 GLU H H 60 8.630 8.113 0.517 1
1 577 . 8 1 1 A 60 60 GLU HA H 60 4.450 4.448 0.002 1
1 582 . 8 1 1 A 60 60 GLU C C 60 176.900 177.173 -0.273 1
1 583 . 8 1 1 A 60 60 GLU CA C 60 55.700 56.401 -0.701 1
1 584 . 8 1 1 A 60 60 GLU CB C 60 30.500 30.361 0.139 1
1 586 . 8 1 1 A 60 60 GLU N N 60 123.900 121.218 2.682 1
1 587 . 8 1 1 A 61 61 LYS H H 61 8.780 8.445 0.335 1
1 588 . 8 1 1 A 61 61 LYS HA H 61 3.930 4.507 -0.577 1
1 596 . 8 1 1 A 61 61 LYS C C 61 177.100 177.749 -0.649 1
1 597 . 8 1 1 A 61 61 LYS CA C 61 58.300 56.838 1.462 1
1 598 . 8 1 1 A 61 61 LYS CB C 61 31.900 33.925 -2.025 1
1 602 . 8 1 1 A 61 61 LYS N N 61 127.000 120.225 6.775 1
1 603 . 8 1 1 A 62 62 ASN H H 62 8.870 8.319 0.551 1
1 604 . 8 1 1 A 62 62 ASN HA H 62 4.520 4.671 -0.151 1
1 609 . 8 1 1 A 62 62 ASN C C 62 174.400 175.454 -1.054 1
1 610 . 8 1 1 A 62 62 ASN CA C 62 54.000 53.545 0.455 1
1 611 . 8 1 1 A 62 62 ASN CB C 62 38.000 37.739 0.261 1
1 612 . 8 1 1 A 62 62 ASN N N 62 117.000 116.597 0.403 1
1 613 . 8 1 1 A 63 63 ARG H H 63 7.430 7.632 -0.202 1
1 614 . 8 1 1 A 63 63 ARG HA H 63 4.810 4.794 0.016 1
1 622 . 8 1 1 A 63 63 ARG C C 63 172.300 174.252 -1.952 1
1 623 . 8 1 1 A 63 63 ARG CA C 63 53.800 53.702 0.098 1
1 624 . 8 1 1 A 63 63 ARG CB C 63 31.300 30.927 0.373 1
1 627 . 8 1 1 A 63 63 ARG N N 63 119.200 119.730 -0.530 1
1 629 . 8 1 1 A 64 64 PRO HA H 64 4.350 4.526 -0.176 1
1 636 . 8 1 1 A 64 64 PRO C C 64 176.900 175.896 1.004 1
1 637 . 8 1 1 A 64 64 PRO CA C 64 64.200 62.889 1.311 1
1 638 . 8 1 1 A 64 64 PRO CB C 64 31.800 29.777 2.023 1
1 641 . 8 1 1 A 65 65 GLU H H 65 9.210 8.620 0.590 1
1 642 . 8 1 1 A 65 65 GLU HA H 65 4.280 4.534 -0.254 1
1 647 . 8 1 1 A 65 65 GLU C C 65 174.300 175.146 -0.846 1
1 648 . 8 1 1 A 65 65 GLU CA C 65 56.600 55.991 0.609 1
1 649 . 8 1 1 A 65 65 GLU CB C 65 28.200 31.463 -3.263 1
1 651 . 8 1 1 A 65 65 GLU N N 65 117.000 120.188 -3.188 1
1 652 . 8 1 1 A 66 66 ALA H H 66 8.040 7.021 1.019 1
1 653 . 8 1 1 A 66 66 ALA HA H 66 5.230 4.185 1.045 1
1 657 . 8 1 1 A 66 66 ALA C C 66 174.900 174.717 0.183 1
1 658 . 8 1 1 A 66 66 ALA CA C 66 50.300 51.162 -0.862 1
1 659 . 8 1 1 A 66 66 ALA CB C 66 22.200 21.377 0.823 1
1 660 . 8 1 1 A 66 66 ALA N N 66 124.800 120.434 4.366 1
1 661 . 8 1 1 A 67 67 LEU H H 67 8.710 8.211 0.499 1
1 662 . 8 1 1 A 67 67 LEU HA H 67 4.800 4.936 -0.136 1
1 672 . 8 1 1 A 67 67 LEU C C 67 177.200 175.855 1.345 1
1 673 . 8 1 1 A 67 67 LEU CA C 67 52.800 53.394 -0.594 1
1 674 . 8 1 1 A 67 67 LEU CB C 67 43.200 45.633 -2.433 1
1 678 . 8 1 1 A 67 67 LEU N N 67 120.400 118.598 1.802 1
1 679 . 8 1 1 A 68 68 LYS H H 68 9.180 8.867 0.313 1
1 680 . 8 1 1 A 68 68 LYS HA H 68 4.050 4.628 -0.578 1
1 689 . 8 1 1 A 68 68 LYS C C 68 176.900 175.028 1.872 1
1 690 . 8 1 1 A 68 68 LYS CA C 68 57.100 54.586 2.514 1
1 691 . 8 1 1 A 68 68 LYS CB C 68 32.600 34.594 -1.994 1
1 695 . 8 1 1 A 68 68 LYS N N 68 125.300 120.809 4.491 1
1 696 . 8 1 1 A 69 69 VAL H H 69 8.150 8.536 -0.386 1
1 697 . 8 1 1 A 69 69 VAL HA H 69 5.240 4.819 0.421 1
1 705 . 8 1 1 A 69 69 VAL C C 69 174.900 174.722 0.178 1
1 706 . 8 1 1 A 69 69 VAL CA C 69 59.900 61.087 -1.187 1
1 707 . 8 1 1 A 69 69 VAL CB C 69 34.700 33.866 0.834 1
1 710 . 8 1 1 A 69 69 VAL N N 69 121.600 125.338 -3.738 1
1 711 . 8 1 1 A 70 70 SER H H 70 8.610 8.605 0.005 1
1 712 . 8 1 1 A 70 70 SER HA H 70 5.210 4.939 0.271 1
1 715 . 8 1 1 A 70 70 SER C C 70 171.900 172.424 -0.524 1
1 716 . 8 1 1 A 70 70 SER CA C 70 56.600 56.924 -0.324 1
1 717 . 8 1 1 A 70 70 SER CB C 70 65.600 66.082 -0.482 1
1 718 . 8 1 1 A 70 70 SER N N 70 120.600 118.959 1.641 1
1 719 . 8 1 1 A 71 71 CYS H H 71 9.280 8.625 0.655 1
1 720 . 8 1 1 A 71 71 CYS HA H 71 4.130 4.597 -0.467 1
1 723 . 8 1 1 A 71 71 CYS C C 71 178.600 175.222 3.378 1
1 724 . 8 1 1 A 71 71 CYS CA C 71 61.600 58.175 3.425 1
1 725 . 8 1 1 A 71 71 CYS CB C 71 31.300 26.534 4.766 1
1 726 . 8 1 1 A 71 71 CYS N N 71 126.700 121.873 4.827 1
1 727 . 8 1 1 A 72 72 GLY H H 72 9.140 8.405 0.735 1
1 728 . 8 1 1 A 72 72 GLY HA2 H 72 3.760 3.876 -0.116 1
1 729 . 8 1 1 A 72 72 GLY HA3 H 72 3.670 3.877 -0.207 1
1 730 . 8 1 1 A 72 72 GLY C C 72 172.500 176.019 -3.519 1
1 731 . 8 1 1 A 72 72 GLY CA C 72 46.200 47.220 -1.020 1
1 732 . 8 1 1 A 72 72 GLY N N 72 120.100 113.849 6.251 1
1 733 . 8 1 1 A 73 73 LYS H H 73 9.090 8.020 1.070 1
1 734 . 8 1 1 A 73 73 LYS HA H 73 4.210 4.063 0.147 1
1 742 . 8 1 1 A 73 73 LYS C C 73 177.600 178.168 -0.568 1
1 743 . 8 1 1 A 73 73 LYS CA C 73 56.600 59.139 -2.539 1
1 744 . 8 1 1 A 73 73 LYS CB C 73 32.700 32.133 0.567 1
1 748 . 8 1 1 A 73 73 LYS N N 73 124.400 120.899 3.501 1
1 749 . 8 1 1 A 74 74 CYS H H 74 8.590 7.654 0.936 1
1 750 . 8 1 1 A 74 74 CYS HA H 74 4.910 4.625 0.285 1
1 753 . 8 1 1 A 74 74 CYS C C 74 177.400 175.602 1.798 1
1 754 . 8 1 1 A 74 74 CYS CA C 74 58.900 58.861 0.039 1
1 755 . 8 1 1 A 74 74 CYS CB C 74 33.300 29.974 3.326 1
1 756 . 8 1 1 A 74 74 CYS N N 74 119.700 114.427 5.273 1
1 757 . 8 1 1 A 75 75 GLY H H 75 7.760 8.959 -1.199 1
1 758 . 8 1 1 A 75 75 GLY HA2 H 75 4.210 3.966 0.244 1
1 759 . 8 1 1 A 75 75 GLY HA3 H 75 3.750 3.968 -0.218 1
1 760 . 8 1 1 A 75 75 GLY C C 75 174.000 173.663 0.337 1
1 761 . 8 1 1 A 75 75 GLY CA C 75 46.100 46.509 -0.409 1
1 762 . 8 1 1 A 75 75 GLY N N 75 113.000 111.335 1.665 1
1 763 . 8 1 1 A 76 76 ASN H H 76 9.050 7.701 1.349 1
1 764 . 8 1 1 A 76 76 ASN HA H 76 4.500 5.110 -0.610 1
1 769 . 8 1 1 A 76 76 ASN C C 76 178.700 173.861 4.839 1
1 770 . 8 1 1 A 76 76 ASN CA C 76 54.700 51.176 3.524 1
1 771 . 8 1 1 A 76 76 ASN CB C 76 39.800 40.655 -0.855 1
1 772 . 8 1 1 A 76 76 ASN N N 76 123.700 118.468 5.232 1
1 774 . 8 1 1 A 77 77 GLY H H 77 8.660 8.411 0.249 1
1 775 . 8 1 1 A 77 77 GLY HA2 H 77 3.970 4.165 -0.195 1
1 776 . 8 1 1 A 77 77 GLY HA3 H 77 3.710 4.166 -0.456 1
1 777 . 8 1 1 A 77 77 GLY C C 77 173.800 174.741 -0.941 1
1 778 . 8 1 1 A 77 77 GLY CA C 77 47.300 45.579 1.721 1
1 779 . 8 1 1 A 77 77 GLY N N 77 115.600 109.206 6.394 1
1 780 . 8 1 1 A 78 78 LEU H H 78 8.600 8.270 0.330 1
1 781 . 8 1 1 A 78 78 LEU HA H 78 4.810 3.854 0.956 1
1 791 . 8 1 1 A 78 78 LEU C C 78 173.800 176.653 -2.853 1
1 792 . 8 1 1 A 78 78 LEU CA C 78 54.900 57.877 -2.977 1
1 793 . 8 1 1 A 78 78 LEU CB C 78 45.000 41.576 3.424 1
1 797 . 8 1 1 A 78 78 LEU N N 78 122.700 121.797 0.903 1
1 798 . 8 1 1 A 79 79 GLY H H 79 7.100 7.392 -0.292 1
1 799 . 8 1 1 A 79 79 GLY HA2 H 79 4.650 4.282 0.368 1
1 800 . 8 1 1 A 79 79 GLY HA3 H 79 3.020 4.384 -1.364 1
1 801 . 8 1 1 A 79 79 GLY C C 79 173.000 171.725 1.275 1
1 802 . 8 1 1 A 79 79 GLY CA C 79 44.900 46.158 -1.258 1
1 803 . 8 1 1 A 79 79 GLY N N 79 102.400 106.751 -4.351 1
1 804 . 8 1 1 A 80 80 HIS H H 80 8.580 9.021 -0.441 1
1 805 . 8 1 1 A 80 80 HIS HA H 80 5.470 5.484 -0.014 1
1 810 . 8 1 1 A 80 80 HIS C C 80 172.300 173.912 -1.612 1
1 811 . 8 1 1 A 80 80 HIS CA C 80 55.000 54.847 0.153 1
1 812 . 8 1 1 A 80 80 HIS CB C 80 34.500 34.316 0.184 1
1 813 . 8 1 1 A 80 80 HIS N N 80 122.400 119.114 3.286 1
1 814 . 8 1 1 A 81 81 GLU H H 81 9.260 9.092 0.168 1
1 815 . 8 1 1 A 81 81 GLU HA H 81 4.100 4.126 -0.026 1
1 820 . 8 1 1 A 81 81 GLU C C 81 174.300 174.910 -0.610 1
1 821 . 8 1 1 A 81 81 GLU CA C 81 54.700 55.024 -0.324 1
1 822 . 8 1 1 A 81 81 GLU CB C 81 31.600 32.324 -0.724 1
1 824 . 8 1 1 A 81 81 GLU N N 81 123.700 120.823 2.877 1
1 825 . 8 1 1 A 82 82 PHE H H 82 9.150 8.610 0.540 1
1 826 . 8 1 1 A 82 82 PHE HA H 82 5.080 4.855 0.225 1
1 830 . 8 1 1 A 82 82 PHE C C 82 174.300 175.263 -0.963 1
1 831 . 8 1 1 A 82 82 PHE CA C 82 56.700 57.929 -1.229 1
1 832 . 8 1 1 A 82 82 PHE CB C 82 38.800 40.049 -1.249 1
1 833 . 8 1 1 A 82 82 PHE N N 82 126.900 127.100 -0.200 1
1 834 . 8 1 1 A 83 83 LEU H H 83 8.280 8.667 -0.387 1
1 835 . 8 1 1 A 83 83 LEU HA H 83 4.100 4.630 -0.530 1
1 845 . 8 1 1 A 83 83 LEU C C 83 176.200 175.101 1.099 1
1 846 . 8 1 1 A 83 83 LEU CA C 83 55.500 53.675 1.825 1
1 847 . 8 1 1 A 83 83 LEU CB C 83 42.000 44.414 -2.414 1
1 849 . 8 1 1 A 83 83 LEU N N 83 126.900 123.817 3.083 1
1 850 . 8 1 1 A 84 84 ASN H H 84 9.260 8.796 0.464 1
1 851 . 8 1 1 A 84 84 ASN HA H 84 4.290 4.408 -0.118 1
1 856 . 8 1 1 A 84 84 ASN C C 84 174.400 174.345 0.055 1
1 857 . 8 1 1 A 84 84 ASN CA C 84 54.800 54.763 0.037 1
1 858 . 8 1 1 A 84 84 ASN CB C 84 37.900 36.925 0.975 1
1 859 . 8 1 1 A 84 84 ASN N N 84 116.900 120.258 -3.358 1
1 861 . 8 1 1 A 85 85 ASP H H 85 7.140 8.124 -0.984 1
1 862 . 8 1 1 A 85 85 ASP HA H 85 5.200 4.987 0.213 1
1 865 . 8 1 1 A 85 85 ASP C C 85 176.000 176.051 -0.051 1
1 866 . 8 1 1 A 85 85 ASP CA C 85 53.800 55.416 -1.616 1
1 867 . 8 1 1 A 85 85 ASP CB C 85 45.500 44.129 1.371 1
1 868 . 8 1 1 A 85 85 ASP N N 85 117.200 118.110 -0.910 1
1 869 . 8 1 1 A 86 86 GLY H H 86 8.230 8.105 0.125 1
1 870 . 8 1 1 A 86 86 GLY HA2 H 86 4.140 4.440 -0.300 1
1 871 . 8 1 1 A 86 86 GLY HA3 H 86 3.280 4.440 -1.160 1
1 872 . 8 1 1 A 86 86 GLY C C 86 171.700 173.872 -2.172 1
1 873 . 8 1 1 A 86 86 GLY CA C 86 44.600 46.589 -1.989 1
1 874 . 8 1 1 A 86 86 GLY N N 86 107.600 106.403 1.197 1
1 875 . 8 1 1 A 87 87 PRO HA H 87 4.190 4.455 -0.265 1
1 882 . 8 1 1 A 87 87 PRO C C 87 177.000 176.324 0.676 1
1 883 . 8 1 1 A 87 87 PRO CA C 87 65.200 64.262 0.938 1
1 884 . 8 1 1 A 87 87 PRO CB C 87 31.700 32.007 -0.307 1
1 887 . 8 1 1 A 88 88 LYS H H 88 7.310 7.795 -0.485 1
1 888 . 8 1 1 A 88 88 LYS HA H 88 4.480 4.606 -0.126 1
1 897 . 8 1 1 A 88 88 LYS C C 88 175.700 176.183 -0.483 1
1 898 . 8 1 1 A 88 88 LYS CA C 88 53.700 54.970 -1.270 1
1 899 . 8 1 1 A 88 88 LYS CB C 88 34.900 33.991 0.909 1
1 903 . 8 1 1 A 88 88 LYS N N 88 116.200 118.472 -2.272 1
1 904 . 8 1 1 A 89 89 ARG H H 89 8.320 8.472 -0.152 1
1 905 . 8 1 1 A 89 89 ARG HA H 89 4.010 3.812 0.198 1
1 912 . 8 1 1 A 89 89 ARG C C 89 177.500 177.220 0.280 1
1 913 . 8 1 1 A 89 89 ARG CA C 89 57.900 57.577 0.323 1
1 914 . 8 1 1 A 89 89 ARG CB C 89 32.100 30.694 1.406 1
1 917 . 8 1 1 A 89 89 ARG N N 89 122.200 120.328 1.872 1
1 919 . 8 1 1 A 90 90 GLY H H 90 8.950 8.852 0.098 1
1 920 . 8 1 1 A 90 90 GLY HA2 H 90 4.240 3.883 0.357 1
1 921 . 8 1 1 A 90 90 GLY HA3 H 90 3.850 3.896 -0.046 1
1 922 . 8 1 1 A 90 90 GLY C C 90 175.000 174.359 0.641 1
1 923 . 8 1 1 A 90 90 GLY CA C 90 45.100 45.622 -0.522 1
1 924 . 8 1 1 A 90 90 GLY N N 90 115.100 110.740 4.360 1
1 925 . 8 1 1 A 91 91 GLN H H 91 8.120 7.649 0.471 1
1 926 . 8 1 1 A 91 91 GLN HA H 91 4.580 4.289 0.291 1
1 933 . 8 1 1 A 91 91 GLN C C 91 177.000 176.351 0.649 1
1 934 . 8 1 1 A 91 91 GLN CA C 91 55.900 56.325 -0.425 1
1 935 . 8 1 1 A 91 91 GLN CB C 91 31.000 29.337 1.663 1
1 937 . 8 1 1 A 91 91 GLN N N 91 120.900 121.342 -0.442 1
1 938 . 8 1 1 A 92 92 SER H H 92 9.210 8.896 0.314 1
1 939 . 8 1 1 A 92 92 SER HA H 92 4.820 4.102 0.718 1
1 942 . 8 1 1 A 92 92 SER C C 92 171.600 173.314 -1.714 1
1 943 . 8 1 1 A 92 92 SER CA C 92 57.700 58.930 -1.230 1
1 944 . 8 1 1 A 92 92 SER CB C 92 65.200 61.797 3.403 1
1 945 . 8 1 1 A 92 92 SER N N 92 120.900 113.738 7.162 1
1 946 . 8 1 1 A 93 93 ARG H H 93 7.820 7.908 -0.088 1
1 947 . 8 1 1 A 93 93 ARG HA H 93 4.950 5.147 -0.197 1
1 952 . 8 1 1 A 93 93 ARG C C 93 176.400 174.149 2.251 1
1 953 . 8 1 1 A 93 93 ARG CA C 93 55.200 54.728 0.472 1
1 954 . 8 1 1 A 93 93 ARG CB C 93 34.600 33.482 1.118 1
1 957 . 8 1 1 A 93 93 ARG N N 93 117.800 120.412 -2.612 1
1 958 . 8 1 1 A 94 94 PHE H H 94 9.860 9.651 0.209 1
1 959 . 8 1 1 A 94 94 PHE HA H 94 4.780 5.565 -0.785 1
1 962 . 8 1 1 A 94 94 PHE C C 94 176.400 174.729 1.671 1
1 963 . 8 1 1 A 94 94 PHE CA C 94 58.300 56.328 1.972 1
1 964 . 8 1 1 A 94 94 PHE CB C 94 38.500 39.804 -1.304 1
1 965 . 8 1 1 A 94 94 PHE N N 94 127.100 122.677 4.423 1
1 966 . 8 1 1 A 95 95 CYS H H 95 9.190 9.169 0.021 1
1 967 . 8 1 1 A 95 95 CYS HA H 95 4.810 4.719 0.091 1
1 970 . 8 1 1 A 95 95 CYS CA C 95 57.300 58.855 -1.555 1
1 971 . 8 1 1 A 95 95 CYS CB C 95 28.700 27.637 1.063 1
1 972 . 8 1 1 A 95 95 CYS N N 95 128.200 124.434 3.766 1
1 973 . 8 1 1 A 96 96 ILE H H 96 7.510 8.652 -1.142 1
1 974 . 8 1 1 A 96 96 ILE HA H 96 4.620 4.723 -0.103 1
1 983 . 8 1 1 A 96 96 ILE C C 96 173.700 174.714 -1.014 1
1 984 . 8 1 1 A 96 96 ILE CA C 96 55.800 60.231 -4.431 1
1 985 . 8 1 1 A 96 96 ILE CB C 96 39.900 40.188 -0.288 1
1 989 . 8 1 1 A 96 96 ILE N N 96 130.700 129.120 1.580 1
1 990 . 8 1 1 A 97 97 PHE H H 97 8.040 8.569 -0.529 1
1 991 . 8 1 1 A 97 97 PHE HA H 97 4.920 4.888 0.032 1
1 994 . 8 1 1 A 97 97 PHE C C 97 178.800 177.063 1.737 1
1 995 . 8 1 1 A 97 97 PHE CA C 97 57.500 57.317 0.183 1
1 996 . 8 1 1 A 97 97 PHE CB C 97 38.400 40.298 -1.898 1
1 997 . 8 1 1 A 97 97 PHE N N 97 122.400 127.885 -5.485 1
1 998 . 8 1 1 A 98 98 SER HA H 98 4.380 4.350 0.030 1
1 1001 . 8 1 1 A 98 98 SER C C 98 176.400 175.835 0.565 1
1 1002 . 8 1 1 A 98 98 SER CA C 98 64.900 60.643 4.257 1
1 1003 . 8 1 1 A 98 98 SER CB C 98 63.600 63.722 -0.122 1
1 1004 . 8 1 1 A 99 99 SER H H 99 9.360 8.006 1.354 1
1 1005 . 8 1 1 A 99 99 SER HA H 99 4.300 4.408 -0.108 1
1 1008 . 8 1 1 A 99 99 SER C C 99 175.800 175.399 0.401 1
1 1009 . 8 1 1 A 99 99 SER CA C 99 60.200 59.050 1.150 1
1 1010 . 8 1 1 A 99 99 SER CB C 99 62.700 62.745 -0.045 1
1 1011 . 8 1 1 A 99 99 SER N N 99 114.100 117.048 -2.948 1
1 1012 . 8 1 1 A 100 100 SER H H 100 8.150 8.235 -0.085 1
1 1013 . 8 1 1 A 100 100 SER HA H 100 4.630 4.403 0.227 1
1 1016 . 8 1 1 A 100 100 SER C C 100 173.500 174.673 -1.173 1
1 1017 . 8 1 1 A 100 100 SER CA C 100 60.400 61.062 -0.662 1
1 1018 . 8 1 1 A 100 100 SER CB C 100 63.600 63.763 -0.163 1
1 1019 . 8 1 1 A 100 100 SER N N 100 118.700 115.201 3.499 1
1 1020 . 8 1 1 A 101 101 LEU H H 101 8.100 7.694 0.406 1
1 1021 . 8 1 1 A 101 101 LEU HA H 101 5.570 4.688 0.882 1
1 1031 . 8 1 1 A 101 101 LEU C C 101 176.000 174.317 1.683 1
1 1032 . 8 1 1 A 101 101 LEU CA C 101 53.400 53.878 -0.478 1
1 1033 . 8 1 1 A 101 101 LEU CB C 101 46.700 43.974 2.726 1
1 1036 . 8 1 1 A 101 101 LEU N N 101 122.000 115.403 6.597 1
1 1037 . 8 1 1 A 102 102 LYS H H 102 8.950 8.186 0.764 1
1 1038 . 8 1 1 A 102 102 LYS HA H 102 4.710 4.922 -0.212 1
1 1045 . 8 1 1 A 102 102 LYS C C 102 174.400 174.880 -0.480 1
1 1046 . 8 1 1 A 102 102 LYS CA C 102 55.400 54.732 0.668 1
1 1047 . 8 1 1 A 102 102 LYS CB C 102 36.500 35.359 1.141 1
1 1051 . 8 1 1 A 102 102 LYS N N 102 119.500 118.598 0.902 1
1 1052 . 8 1 1 A 103 103 PHE H H 103 9.010 8.778 0.232 1
1 1053 . 8 1 1 A 103 103 PHE HA H 103 4.750 4.736 0.014 1
1 1056 . 8 1 1 A 103 103 PHE C C 103 173.900 173.297 0.603 1
1 1057 . 8 1 1 A 103 103 PHE CA C 103 57.100 55.214 1.886 1
1 1058 . 8 1 1 A 103 103 PHE CB C 103 41.300 41.729 -0.429 1
1 1059 . 8 1 1 A 103 103 PHE N N 103 124.500 123.332 1.168 1
1 1060 . 8 1 1 A 104 104 VAL H H 104 8.550 8.753 -0.203 1
1 1061 . 8 1 1 A 104 104 VAL HA H 104 4.140 4.563 -0.423 1
1 1069 . 8 1 1 A 104 104 VAL C C 104 172.800 173.427 -0.627 1
1 1070 . 8 1 1 A 104 104 VAL CA C 104 58.800 58.540 0.260 1
1 1071 . 8 1 1 A 104 104 VAL CB C 104 32.300 33.175 -0.875 1
1 1074 . 8 1 1 A 104 104 VAL N N 104 132.000 128.128 3.872 1
1 1075 . 8 1 1 A 105 105 PRO HA H 105 4.110 4.291 -0.181 1
1 1082 . 8 1 1 A 105 105 PRO C C 105 176.400 175.148 1.252 1
1 1083 . 8 1 1 A 105 105 PRO CA C 105 62.400 62.408 -0.008 1
1 1084 . 8 1 1 A 105 105 PRO CB C 105 32.400 32.212 0.188 1
1 1087 . 8 1 1 A 106 106 LYS H H 106 7.900 8.603 -0.703 1
1 1088 . 8 1 1 A 106 106 LYS HA H 106 4.170 4.807 -0.637 1
1 1096 . 8 1 1 A 106 106 LYS C C 106 176.900 175.083 1.817 1
1 1097 . 8 1 1 A 106 106 LYS CA C 106 56.700 54.558 2.142 1
1 1098 . 8 1 1 A 106 106 LYS CB C 106 33.500 34.926 -1.426 1
1 1102 . 8 1 1 A 106 106 LYS N N 106 123.200 122.324 0.876 1
1 1103 . 8 1 1 A 107 107 GLY H H 107 8.740 8.243 0.497 1
1 1104 . 8 1 1 A 107 107 GLY HA2 H 107 3.930 4.033 -0.103 1
1 1105 . 8 1 1 A 107 107 GLY HA3 H 107 3.960 4.042 -0.082 1
1 1106 . 8 1 1 A 107 107 GLY C C 107 174.000 174.818 -0.818 1
1 1107 . 8 1 1 A 107 107 GLY CA C 107 45.000 46.020 -1.020 1
1 1108 . 8 1 1 A 107 107 GLY N N 107 113.500 108.808 4.692 1
1 1109 . 8 1 1 A 108 108 LYS H H 108 8.240 8.570 -0.330 1
1 1110 . 8 1 1 A 108 108 LYS HA H 108 4.290 4.125 0.165 1
1 1118 . 8 1 1 A 108 108 LYS C C 108 176.700 178.964 -2.264 1
1 1119 . 8 1 1 A 108 108 LYS CA C 108 56.000 59.077 -3.077 1
1 1120 . 8 1 1 A 108 108 LYS CB C 108 32.700 32.540 0.160 1
1 1124 . 8 1 1 A 108 108 LYS N N 108 121.500 121.992 -0.492 1
1 1125 . 8 1 1 A 109 109 GLU H H 109 8.650 8.040 0.610 1
1 1126 . 8 1 1 A 109 109 GLU HA H 109 4.180 4.067 0.113 1
1 1131 . 8 1 1 A 109 109 GLU C C 109 176.500 176.210 0.290 1
1 1132 . 8 1 1 A 109 109 GLU CA C 109 56.600 59.441 -2.841 1
1 1133 . 8 1 1 A 109 109 GLU CB C 109 29.900 29.449 0.451 1
1 1135 . 8 1 1 A 109 109 GLU N N 109 122.800 119.653 3.147 1
1 1136 . 8 1 1 A 110 110 ALA H H 110 8.400 7.893 0.507 1
1 1137 . 8 1 1 A 110 110 ALA HA H 110 4.190 4.072 0.118 1
1 1141 . 8 1 1 A 110 110 ALA CA C 110 52.500 52.827 -0.327 1
1 1142 . 8 1 1 A 110 110 ALA CB C 110 19.000 17.875 1.125 1
1 1143 . 8 1 1 A 110 110 ALA N N 110 126.100 121.627 4.473 1
1 1144 . 8 1 1 A 111 111 ALA H H 111 8.240 8.376 -0.136 1
1 1145 . 8 1 1 A 111 111 ALA HA H 111 4.220 4.024 0.196 1
1 1149 . 8 1 1 A 111 111 ALA C C 111 177.800 176.840 0.960 1
1 1150 . 8 1 1 A 111 111 ALA CA C 111 52.600 54.080 -1.480 1
1 1151 . 8 1 1 A 111 111 ALA CB C 111 19.000 18.276 0.724 1
1 1152 . 8 1 1 A 111 111 ALA N N 111 123.800 122.697 1.103 1
1 1153 . 8 1 1 A 112 112 ALA H H 112 8.220 8.635 -0.415 1
1 1154 . 8 1 1 A 112 112 ALA HA H 112 4.250 4.103 0.147 1
1 1158 . 8 1 1 A 112 112 ALA C C 112 178.100 176.689 1.411 1
1 1159 . 8 1 1 A 112 112 ALA CA C 112 52.600 54.120 -1.520 1
1 1160 . 8 1 1 A 112 112 ALA CB C 112 19.100 18.232 0.868 1
1 1161 . 8 1 1 A 112 112 ALA N N 112 123.600 120.501 3.099 1
1 1162 . 8 1 1 A 113 113 SER H H 113 8.200 8.573 -0.373 1
1 1163 . 8 1 1 A 113 113 SER HA H 113 4.360 5.080 -0.720 1
1 1166 . 8 1 1 A 113 113 SER C C 113 174.800 172.503 2.297 1
1 1167 . 8 1 1 A 113 113 SER CA C 113 58.300 57.410 0.890 1
1 1168 . 8 1 1 A 113 113 SER CB C 113 63.500 66.069 -2.569 1
1 1169 . 8 1 1 A 113 113 SER N N 113 115.400 112.905 2.495 1
1 1170 . 8 1 1 A 114 114 GLN H H 114 8.320 8.608 -0.288 1
1 1171 . 8 1 1 A 114 114 GLN HA H 114 4.290 4.764 -0.474 1
1 1178 . 8 1 1 A 114 114 GLN C C 114 176.500 175.455 1.045 1
1 1179 . 8 1 1 A 114 114 GLN CA C 114 55.900 55.423 0.477 1
1 1180 . 8 1 1 A 114 114 GLN CB C 114 29.300 30.930 -1.630 1
1 1182 . 8 1 1 A 114 114 GLN N N 114 122.500 122.665 -0.165 1
1 1183 . 8 1 1 A 115 115 GLY H H 115 8.370 8.533 -0.163 1
1 1184 . 8 1 1 A 115 115 GLY HA2 H 115 3.850 4.162 -0.312 1
1 1185 . 8 1 1 A 115 115 GLY HA3 H 115 3.850 4.193 -0.343 1
1 1186 . 8 1 1 A 115 115 GLY C C 115 173.900 172.146 1.754 1
1 1187 . 8 1 1 A 115 115 GLY CA C 115 45.400 45.921 -0.521 1
1 1188 . 8 1 1 A 115 115 GLY N N 115 110.000 109.430 0.570 1
1 1189 . 8 1 1 A 116 116 HIS H H 116 8.290 8.782 -0.492 1
1 1190 . 8 1 1 A 116 116 HIS HA H 116 4.620 5.059 -0.439 1
1 1195 . 8 1 1 A 116 116 HIS C C 116 174.600 172.148 2.452 1
1 1196 . 8 1 1 A 116 116 HIS CA C 116 55.500 54.982 0.518 1
1 1197 . 8 1 1 A 116 116 HIS CB C 116 29.100 31.830 -2.730 1
1 1198 . 8 1 1 A 116 116 HIS N N 116 119.100 119.699 -0.599 1
1 1199 . 8 1 1 A 117 117 LEU H H 117 8.220 8.606 -0.386 1
1 1200 . 8 1 1 A 117 117 LEU HA H 117 4.240 4.535 -0.295 1
1 1210 . 8 1 1 A 117 117 LEU C C 117 174.600 176.181 -1.581 1
1 1211 . 8 1 1 A 117 117 LEU CA C 117 55.100 54.247 0.853 1
1 1212 . 8 1 1 A 117 117 LEU CB C 117 42.300 42.798 -0.498 1
1 1216 . 8 1 1 A 117 117 LEU N N 117 124.100 123.495 0.605 1
1 1217 . 8 1 1 A 118 118 GLU H H 118 8.350 8.680 -0.330 1
1 1218 . 8 1 1 A 118 118 GLU HA H 118 4.160 5.150 -0.990 1
1 1223 . 8 1 1 A 118 118 GLU C C 118 176.000 174.835 1.165 1
1 1224 . 8 1 1 A 118 118 GLU CA C 118 56.300 55.498 0.802 1
1 1225 . 8 1 1 A 118 118 GLU CB C 118 30.300 32.405 -2.105 1
1 1227 . 8 1 1 A 118 118 GLU N N 118 122.300 120.958 1.342 1
1 1228 . 8 1 1 A 119 119 HIS H H 119 8.410 8.763 -0.353 1
1 1229 . 8 1 1 A 119 119 HIS HA H 119 4.570 5.412 -0.842 1
1 1232 . 8 1 1 A 119 119 HIS C C 119 174.500 173.501 0.999 1
1 1233 . 8 1 1 A 119 119 HIS CA C 119 55.400 54.301 1.099 1
1 1234 . 8 1 1 A 119 119 HIS CB C 119 29.400 31.655 -2.255 1
1 1235 . 8 1 1 A 119 119 HIS N N 119 120.500 115.868 4.632 1
1 1236 . 8 1 1 A 120 120 HIS H H 120 8.530 8.668 -0.138 1
1 1237 . 8 1 1 A 120 120 HIS HA H 120 4.640 4.907 -0.267 1
1 1240 . 8 1 1 A 120 120 HIS C C 120 174.400 173.830 0.570 1
1 1241 . 8 1 1 A 120 120 HIS CA C 120 57.900 55.117 2.783 1
1 1242 . 8 1 1 A 120 120 HIS CB C 120 29.400 32.028 -2.628 1
1 1 . 9 1 1 A 3 3 PHE HA H 3 4.650 5.035 -0.385 1
1 4 . 9 1 1 A 3 3 PHE C C 3 174.500 173.192 1.308 1
1 5 . 9 1 1 A 3 3 PHE CA C 3 57.800 56.553 1.247 1
1 6 . 9 1 1 A 3 3 PHE CB C 3 39.600 41.630 -2.030 1
1 7 . 9 1 1 A 4 4 CYS H H 4 8.270 8.202 0.068 1
1 8 . 9 1 1 A 4 4 CYS HA H 4 4.380 4.954 -0.574 1
1 11 . 9 1 1 A 4 4 CYS C C 4 173.800 172.549 1.251 1
1 12 . 9 1 1 A 4 4 CYS CA C 4 58.100 57.930 0.170 1
1 13 . 9 1 1 A 4 4 CYS CB C 4 28.100 30.890 -2.790 1
1 14 . 9 1 1 A 4 4 CYS N N 4 122.600 120.012 2.588 1
1 15 . 9 1 1 A 5 5 SER H H 5 8.250 8.695 -0.445 1
1 16 . 9 1 1 A 5 5 SER HA H 5 4.270 5.096 -0.826 1
1 19 . 9 1 1 A 5 5 SER C C 5 173.700 172.637 1.063 1
1 20 . 9 1 1 A 5 5 SER CA C 5 58.300 57.515 0.785 1
1 21 . 9 1 1 A 5 5 SER CB C 5 63.700 66.708 -3.008 1
1 22 . 9 1 1 A 5 5 SER N N 5 119.600 117.787 1.813 1
1 23 . 9 1 1 A 6 6 PHE H H 6 8.010 8.867 -0.857 1
1 24 . 9 1 1 A 6 6 PHE HA H 6 4.560 5.090 -0.530 1
1 28 . 9 1 1 A 6 6 PHE C C 6 173.700 174.981 -1.281 1
1 29 . 9 1 1 A 6 6 PHE CA C 6 57.600 57.181 0.419 1
1 30 . 9 1 1 A 6 6 PHE CB C 6 39.700 41.135 -1.435 1
1 31 . 9 1 1 A 6 6 PHE N N 6 122.500 127.214 -4.714 1
1 32 . 9 1 1 A 7 7 PHE H H 7 8.230 8.214 0.016 1
1 33 . 9 1 1 A 7 7 PHE HA H 7 4.530 5.082 -0.552 1
1 36 . 9 1 1 A 7 7 PHE C C 7 175.800 175.380 0.420 1
1 37 . 9 1 1 A 7 7 PHE CA C 7 57.600 55.505 2.095 1
1 38 . 9 1 1 A 7 7 PHE CB C 7 39.700 41.353 -1.653 1
1 39 . 9 1 1 A 7 7 PHE N N 7 123.000 116.532 6.468 1
1 40 . 9 1 1 A 8 8 GLY H H 8 7.870 8.891 -1.021 1
1 41 . 9 1 1 A 8 8 GLY HA2 H 8 3.800 3.964 -0.164 1
1 42 . 9 1 1 A 8 8 GLY HA3 H 8 3.750 4.156 -0.406 1
1 43 . 9 1 1 A 8 8 GLY C C 8 174.300 174.421 -0.121 1
1 44 . 9 1 1 A 8 8 GLY CA C 8 45.300 46.490 -1.190 1
1 45 . 9 1 1 A 8 8 GLY N N 8 111.200 108.418 2.782 1
1 46 . 9 1 1 A 9 9 GLY H H 9 7.930 8.613 -0.683 1
1 47 . 9 1 1 A 9 9 GLY HA2 H 9 3.920 4.181 -0.261 1
1 48 . 9 1 1 A 9 9 GLY HA3 H 9 3.850 4.188 -0.338 1
1 49 . 9 1 1 A 9 9 GLY C C 9 175.200 172.967 2.233 1
1 50 . 9 1 1 A 9 9 GLY CA C 9 45.100 45.069 0.031 1
1 51 . 9 1 1 A 9 9 GLY N N 9 108.400 106.632 1.768 1
1 52 . 9 1 1 A 10 10 GLU H H 10 8.400 8.932 -0.532 1
1 53 . 9 1 1 A 10 10 GLU HA H 10 4.360 5.200 -0.840 1
1 58 . 9 1 1 A 10 10 GLU C C 10 178.400 175.845 2.555 1
1 59 . 9 1 1 A 10 10 GLU CA C 10 54.700 54.800 -0.100 1
1 60 . 9 1 1 A 10 10 GLU CB C 10 36.700 33.718 2.982 1
1 62 . 9 1 1 A 10 10 GLU N N 10 122.600 124.780 -2.180 1
1 63 . 9 1 1 A 11 11 VAL H H 11 7.940 9.043 -1.103 1
1 64 . 9 1 1 A 11 11 VAL HA H 11 3.680 4.369 -0.689 1
1 72 . 9 1 1 A 11 11 VAL C C 11 176.600 175.970 0.630 1
1 73 . 9 1 1 A 11 11 VAL CA C 11 63.800 61.275 2.525 1
1 74 . 9 1 1 A 11 11 VAL CB C 11 31.200 32.804 -1.604 1
1 77 . 9 1 1 A 11 11 VAL N N 11 120.300 122.409 -2.109 1
1 78 . 9 1 1 A 12 12 PHE H H 12 7.730 8.273 -0.543 1
1 79 . 9 1 1 A 12 12 PHE HA H 12 5.200 4.574 0.626 1
1 83 . 9 1 1 A 12 12 PHE C C 12 177.100 177.063 0.037 1
1 84 . 9 1 1 A 12 12 PHE CA C 12 55.700 58.872 -3.172 1
1 85 . 9 1 1 A 12 12 PHE CB C 12 38.200 37.755 0.445 1
1 86 . 9 1 1 A 12 12 PHE N N 12 113.700 121.979 -8.279 1
1 87 . 9 1 1 A 13 13 GLN H H 13 8.080 7.629 0.451 1
1 88 . 9 1 1 A 13 13 GLN HA H 13 3.270 3.583 -0.313 1
1 95 . 9 1 1 A 13 13 GLN C C 13 175.400 177.365 -1.965 1
1 96 . 9 1 1 A 13 13 GLN CA C 13 62.100 58.813 3.287 1
1 97 . 9 1 1 A 13 13 GLN CB C 13 27.100 28.150 -1.050 1
1 99 . 9 1 1 A 13 13 GLN N N 13 126.400 120.671 5.729 1
1 100 . 9 1 1 A 14 14 ASN H H 14 8.580 7.345 1.235 1
1 101 . 9 1 1 A 14 14 ASN HA H 14 5.010 4.535 0.475 1
1 106 . 9 1 1 A 14 14 ASN C C 14 173.000 175.995 -2.995 1
1 107 . 9 1 1 A 14 14 ASN CA C 14 51.500 54.239 -2.739 1
1 108 . 9 1 1 A 14 14 ASN CB C 14 37.900 39.516 -1.616 1
1 109 . 9 1 1 A 14 14 ASN N N 14 115.900 115.726 0.174 1
1 111 . 9 1 1 A 15 15 HIS H H 15 6.070 7.139 -1.069 1
1 112 . 9 1 1 A 15 15 HIS HA H 15 4.370 4.558 -0.188 1
1 117 . 9 1 1 A 15 15 HIS C C 15 174.400 175.275 -0.875 1
1 118 . 9 1 1 A 15 15 HIS CA C 15 56.600 57.095 -0.495 1
1 119 . 9 1 1 A 15 15 HIS CB C 15 33.400 30.160 3.240 1
1 120 . 9 1 1 A 15 15 HIS N N 15 120.500 117.728 2.772 1
1 121 . 9 1 1 A 16 16 PHE H H 16 8.880 9.094 -0.214 1
1 122 . 9 1 1 A 16 16 PHE HA H 16 4.870 4.599 0.271 1
1 125 . 9 1 1 A 16 16 PHE C C 16 174.300 174.938 -0.638 1
1 126 . 9 1 1 A 16 16 PHE CA C 16 57.100 56.243 0.857 1
1 127 . 9 1 1 A 16 16 PHE CB C 16 39.700 36.713 2.987 1
1 128 . 9 1 1 A 16 16 PHE N N 16 127.200 125.258 1.942 1
1 129 . 9 1 1 A 17 17 GLU H H 17 5.780 8.018 -2.238 1
1 130 . 9 1 1 A 17 17 GLU HA H 17 4.500 4.588 -0.088 1
1 135 . 9 1 1 A 17 17 GLU C C 17 174.300 174.626 -0.326 1
1 136 . 9 1 1 A 17 17 GLU CA C 17 53.500 55.177 -1.677 1
1 137 . 9 1 1 A 17 17 GLU CB C 17 30.700 28.612 2.088 1
1 139 . 9 1 1 A 17 17 GLU N N 17 119.900 120.685 -0.785 1
1 140 . 9 1 1 A 18 18 PRO HA H 18 4.630 4.593 0.037 1
1 147 . 9 1 1 A 18 18 PRO C C 18 178.100 176.879 1.221 1
1 148 . 9 1 1 A 18 18 PRO CA C 18 62.700 62.301 0.399 1
1 149 . 9 1 1 A 18 18 PRO CB C 18 31.400 33.072 -1.672 1
1 152 . 9 1 1 A 19 19 GLY H H 19 8.820 8.380 0.440 1
1 153 . 9 1 1 A 19 19 GLY HA2 H 19 4.500 3.829 0.671 1
1 154 . 9 1 1 A 19 19 GLY HA3 H 19 3.630 3.869 -0.239 1
1 155 . 9 1 1 A 19 19 GLY C C 19 171.000 172.829 -1.829 1
1 156 . 9 1 1 A 19 19 GLY CA C 19 46.200 44.861 1.339 1
1 157 . 9 1 1 A 19 19 GLY N N 19 111.300 108.145 3.155 1
1 158 . 9 1 1 A 20 20 VAL H H 20 8.070 7.322 0.748 1
1 159 . 9 1 1 A 20 20 VAL HA H 20 4.750 4.593 0.157 1
1 167 . 9 1 1 A 20 20 VAL C C 20 172.300 173.146 -0.846 1
1 168 . 9 1 1 A 20 20 VAL CA C 20 60.200 59.403 0.797 1
1 169 . 9 1 1 A 20 20 VAL CB C 20 36.100 34.734 1.366 1
1 172 . 9 1 1 A 20 20 VAL N N 20 120.700 118.905 1.795 1
1 173 . 9 1 1 A 21 21 TYR H H 21 9.560 8.636 0.924 1
1 174 . 9 1 1 A 21 21 TYR HA H 21 5.230 5.520 -0.290 1
1 177 . 9 1 1 A 21 21 TYR C C 21 175.600 175.037 0.563 1
1 178 . 9 1 1 A 21 21 TYR CA C 21 56.800 55.835 0.965 1
1 179 . 9 1 1 A 21 21 TYR CB C 21 39.200 41.871 -2.671 1
1 180 . 9 1 1 A 21 21 TYR N N 21 123.200 122.100 1.100 1
1 181 . 9 1 1 A 22 22 VAL H H 22 9.400 8.839 0.561 1
1 182 . 9 1 1 A 22 22 VAL HA H 22 4.950 5.245 -0.295 1
1 190 . 9 1 1 A 22 22 VAL C C 22 174.000 174.419 -0.419 1
1 191 . 9 1 1 A 22 22 VAL CA C 22 57.100 59.303 -2.203 1
1 192 . 9 1 1 A 22 22 VAL CB C 22 33.900 36.096 -2.196 1
1 195 . 9 1 1 A 22 22 VAL N N 22 119.100 115.587 3.513 1
1 196 . 9 1 1 A 23 23 CYS H H 23 9.020 8.713 0.307 1
1 197 . 9 1 1 A 23 23 CYS HA H 23 4.260 4.613 -0.353 1
1 200 . 9 1 1 A 23 23 CYS C C 23 178.700 175.781 2.919 1
1 201 . 9 1 1 A 23 23 CYS CA C 23 60.600 59.434 1.166 1
1 202 . 9 1 1 A 23 23 CYS CB C 23 31.700 28.482 3.218 1
1 203 . 9 1 1 A 23 23 CYS N N 23 123.800 122.237 1.563 1
1 204 . 9 1 1 A 24 24 ALA H H 24 8.760 9.146 -0.386 1
1 205 . 9 1 1 A 24 24 ALA HA H 24 3.840 4.089 -0.249 1
1 209 . 9 1 1 A 24 24 ALA C C 24 177.500 179.922 -2.422 1
1 210 . 9 1 1 A 24 24 ALA CA C 24 55.000 55.397 -0.397 1
1 211 . 9 1 1 A 24 24 ALA CB C 24 18.700 18.586 0.114 1
1 212 . 9 1 1 A 24 24 ALA N N 24 131.900 128.724 3.176 1
1 213 . 9 1 1 A 25 25 LYS H H 25 9.200 7.864 1.336 1
1 214 . 9 1 1 A 25 25 LYS HA H 25 4.380 4.283 0.097 1
1 222 . 9 1 1 A 25 25 LYS C C 25 178.100 178.607 -0.507 1
1 223 . 9 1 1 A 25 25 LYS CA C 25 57.900 58.772 -0.872 1
1 224 . 9 1 1 A 25 25 LYS CB C 25 33.500 33.199 0.301 1
1 228 . 9 1 1 A 25 25 LYS N N 25 120.000 117.921 2.079 1
1 229 . 9 1 1 A 26 26 CYS H H 26 8.730 8.044 0.686 1
1 230 . 9 1 1 A 26 26 CYS HA H 26 5.000 4.285 0.715 1
1 233 . 9 1 1 A 26 26 CYS C C 26 177.000 175.259 1.741 1
1 234 . 9 1 1 A 26 26 CYS CA C 26 59.400 62.089 -2.689 1
1 235 . 9 1 1 A 26 26 CYS CB C 26 32.900 27.491 5.409 1
1 236 . 9 1 1 A 26 26 CYS N N 26 120.900 118.434 2.466 1
1 237 . 9 1 1 A 27 27 SER H H 27 8.170 8.155 0.015 1
1 238 . 9 1 1 A 27 27 SER HA H 27 4.140 4.460 -0.320 1
1 241 . 9 1 1 A 27 27 SER C C 27 174.800 173.944 0.856 1
1 242 . 9 1 1 A 27 27 SER CA C 27 60.900 59.409 1.491 1
1 243 . 9 1 1 A 27 27 SER CB C 27 61.600 61.103 0.497 1
1 244 . 9 1 1 A 27 27 SER N N 27 115.800 115.518 0.282 1
1 245 . 9 1 1 A 28 28 TYR H H 28 9.010 7.953 1.057 1
1 246 . 9 1 1 A 28 28 TYR HA H 28 4.420 4.745 -0.325 1
1 249 . 9 1 1 A 28 28 TYR C C 28 176.600 174.991 1.609 1
1 250 . 9 1 1 A 28 28 TYR CA C 28 59.300 57.568 1.732 1
1 251 . 9 1 1 A 28 28 TYR CB C 28 39.600 39.063 0.537 1
1 252 . 9 1 1 A 28 28 TYR N N 28 127.100 123.153 3.947 1
1 253 . 9 1 1 A 29 29 GLU H H 29 7.730 8.813 -1.083 1
1 254 . 9 1 1 A 29 29 GLU HA H 29 3.670 5.056 -1.386 1
1 259 . 9 1 1 A 29 29 GLU C C 29 174.900 176.550 -1.650 1
1 260 . 9 1 1 A 29 29 GLU CA C 29 58.700 56.820 1.880 1
1 261 . 9 1 1 A 29 29 GLU CB C 29 29.800 30.141 -0.341 1
1 263 . 9 1 1 A 29 29 GLU N N 29 124.500 126.485 -1.985 1
1 264 . 9 1 1 A 30 30 LEU H H 30 7.940 8.651 -0.711 1
1 265 . 9 1 1 A 30 30 LEU HA H 30 4.140 5.132 -0.992 1
1 274 . 9 1 1 A 30 30 LEU C C 30 175.400 175.609 -0.209 1
1 275 . 9 1 1 A 30 30 LEU CA C 30 56.200 53.531 2.669 1
1 276 . 9 1 1 A 30 30 LEU CB C 30 46.700 45.474 1.226 1
1 277 . 9 1 1 A 30 30 LEU N N 30 121.800 121.890 -0.090 1
1 278 . 9 1 1 A 31 31 PHE H H 31 7.880 8.779 -0.899 1
1 279 . 9 1 1 A 31 31 PHE HA H 31 4.720 4.788 -0.068 1
1 282 . 9 1 1 A 31 31 PHE C C 31 174.600 173.658 0.942 1
1 283 . 9 1 1 A 31 31 PHE CA C 31 56.600 58.198 -1.598 1
1 284 . 9 1 1 A 31 31 PHE CB C 31 45.300 42.202 3.098 1
1 285 . 9 1 1 A 31 31 PHE N N 31 113.300 122.315 -9.015 1
1 286 . 9 1 1 A 32 32 SER H H 32 10.030 8.571 1.459 1
1 287 . 9 1 1 A 32 32 SER HA H 32 4.860 4.664 0.196 1
1 290 . 9 1 1 A 32 32 SER CA C 32 57.000 58.200 -1.200 1
1 291 . 9 1 1 A 32 32 SER CB C 32 63.700 63.915 -0.215 1
1 292 . 9 1 1 A 32 32 SER N N 32 118.700 122.713 -4.013 1
1 293 . 9 1 1 A 33 33 SER H H 33 8.990 9.121 -0.131 1
1 294 . 9 1 1 A 33 33 SER HA H 33 4.840 4.333 0.507 1
1 297 . 9 1 1 A 33 33 SER C C 33 177.300 175.960 1.340 1
1 298 . 9 1 1 A 33 33 SER CA C 33 63.700 61.581 2.119 1
1 299 . 9 1 1 A 33 33 SER CB C 33 63.700 63.544 0.156 1
1 300 . 9 1 1 A 33 33 SER N N 33 123.100 121.853 1.247 1
1 301 . 9 1 1 A 34 34 HIS HA H 34 4.710 4.400 0.310 1
1 304 . 9 1 1 A 34 34 HIS C C 34 175.800 177.168 -1.368 1
1 305 . 9 1 1 A 34 34 HIS CA C 34 57.900 58.549 -0.649 1
1 306 . 9 1 1 A 34 34 HIS CB C 34 28.600 28.853 -0.253 1
1 307 . 9 1 1 A 35 35 SER H H 35 7.960 7.183 0.777 1
1 308 . 9 1 1 A 35 35 SER HA H 35 4.820 4.105 0.715 1
1 311 . 9 1 1 A 35 35 SER C C 35 173.200 174.358 -1.158 1
1 312 . 9 1 1 A 35 35 SER CA C 35 58.100 61.181 -3.081 1
1 313 . 9 1 1 A 35 35 SER CB C 35 65.300 62.738 2.562 1
1 314 . 9 1 1 A 35 35 SER N N 35 114.500 112.860 1.640 1
1 315 . 9 1 1 A 36 36 LYS H H 36 7.630 7.068 0.562 1
1 316 . 9 1 1 A 36 36 LYS HA H 36 4.890 4.685 0.205 1
1 322 . 9 1 1 A 36 36 LYS C C 36 176.100 174.666 1.434 1
1 323 . 9 1 1 A 36 36 LYS CA C 36 55.400 54.379 1.021 1
1 324 . 9 1 1 A 36 36 LYS CB C 36 35.400 34.677 0.723 1
1 328 . 9 1 1 A 36 36 LYS N N 36 126.900 118.630 8.270 1
1 329 . 9 1 1 A 37 37 TYR H H 37 8.440 8.890 -0.450 1
1 330 . 9 1 1 A 37 37 TYR HA H 37 5.100 5.212 -0.112 1
1 333 . 9 1 1 A 37 37 TYR C C 37 172.800 174.228 -1.428 1
1 334 . 9 1 1 A 37 37 TYR CA C 37 55.400 56.479 -1.079 1
1 335 . 9 1 1 A 37 37 TYR CB C 37 41.000 43.834 -2.834 1
1 336 . 9 1 1 A 37 37 TYR N N 37 124.200 118.499 5.701 1
1 337 . 9 1 1 A 38 38 ALA H H 38 8.590 8.837 -0.247 1
1 338 . 9 1 1 A 38 38 ALA HA H 38 4.630 5.369 -0.739 1
1 342 . 9 1 1 A 38 38 ALA C C 38 175.900 176.521 -0.621 1
1 343 . 9 1 1 A 38 38 ALA CA C 38 52.500 50.389 2.111 1
1 344 . 9 1 1 A 38 38 ALA CB C 38 18.300 20.727 -2.427 1
1 345 . 9 1 1 A 38 38 ALA N N 38 125.100 123.424 1.676 1
1 346 . 9 1 1 A 39 39 HIS H H 39 8.080 8.794 -0.714 1
1 347 . 9 1 1 A 39 39 HIS HA H 39 4.620 4.949 -0.329 1
1 352 . 9 1 1 A 39 39 HIS C C 39 174.100 172.673 1.427 1
1 353 . 9 1 1 A 39 39 HIS CA C 39 57.000 56.356 0.644 1
1 354 . 9 1 1 A 39 39 HIS CB C 39 34.600 32.908 1.692 1
1 355 . 9 1 1 A 39 39 HIS N N 39 125.600 122.030 3.570 1
1 356 . 9 1 1 A 40 40 SER H H 40 6.860 7.921 -1.061 1
1 357 . 9 1 1 A 40 40 SER HA H 40 4.060 4.871 -0.811 1
1 360 . 9 1 1 A 40 40 SER C C 40 174.900 173.360 1.540 1
1 361 . 9 1 1 A 40 40 SER CA C 40 58.800 57.431 1.369 1
1 362 . 9 1 1 A 40 40 SER CB C 40 62.700 63.711 -1.011 1
1 363 . 9 1 1 A 40 40 SER N N 40 118.700 118.924 -0.224 1
1 364 . 9 1 1 A 41 41 SER H H 41 9.140 8.695 0.445 1
1 365 . 9 1 1 A 41 41 SER HA H 41 4.480 4.785 -0.305 1
1 368 . 9 1 1 A 41 41 SER C C 41 173.600 171.734 1.866 1
1 369 . 9 1 1 A 41 41 SER CA C 41 57.800 56.993 0.807 1
1 370 . 9 1 1 A 41 41 SER CB C 41 63.600 65.706 -2.106 1
1 371 . 9 1 1 A 41 41 SER N N 41 122.500 120.613 1.887 1
1 372 . 9 1 1 A 42 42 PRO HA H 42 4.040 4.305 -0.265 1
1 379 . 9 1 1 A 42 42 PRO C C 42 174.900 176.514 -1.614 1
1 380 . 9 1 1 A 42 42 PRO CA C 42 63.700 62.334 1.366 1
1 381 . 9 1 1 A 42 42 PRO CB C 42 31.500 32.149 -0.649 1
1 384 . 9 1 1 A 43 43 TRP H H 43 6.590 7.942 -1.352 1
1 385 . 9 1 1 A 43 43 TRP HA H 43 4.850 4.074 0.776 1
1 394 . 9 1 1 A 43 43 TRP C C 43 174.100 174.928 -0.828 1
1 395 . 9 1 1 A 43 43 TRP CA C 43 57.300 57.639 -0.339 1
1 396 . 9 1 1 A 43 43 TRP CB C 43 29.500 27.603 1.897 1
1 397 . 9 1 1 A 43 43 TRP N N 43 113.900 116.954 -3.054 1
1 399 . 9 1 1 A 44 44 PRO HA H 44 3.810 4.693 -0.883 1
1 405 . 9 1 1 A 44 44 PRO C C 44 174.800 175.689 -0.889 1
1 406 . 9 1 1 A 44 44 PRO CA C 44 63.200 62.946 0.254 1
1 407 . 9 1 1 A 44 44 PRO CB C 44 32.200 31.902 0.298 1
1 410 . 9 1 1 A 45 45 ALA H H 45 7.850 8.252 -0.402 1
1 411 . 9 1 1 A 45 45 ALA HA H 45 5.260 4.064 1.196 1
1 415 . 9 1 1 A 45 45 ALA C C 45 174.800 174.789 0.011 1
1 416 . 9 1 1 A 45 45 ALA CA C 45 50.100 50.902 -0.802 1
1 417 . 9 1 1 A 45 45 ALA CB C 45 20.800 22.693 -1.893 1
1 418 . 9 1 1 A 45 45 ALA N N 45 126.700 121.899 4.801 1
1 419 . 9 1 1 A 46 46 PHE H H 46 8.080 7.821 0.259 1
1 420 . 9 1 1 A 46 46 PHE HA H 46 5.860 4.791 1.069 1
1 424 . 9 1 1 A 46 46 PHE C C 46 177.800 176.208 1.592 1
1 425 . 9 1 1 A 46 46 PHE CA C 46 54.800 56.496 -1.696 1
1 426 . 9 1 1 A 46 46 PHE CB C 46 44.500 42.701 1.799 1
1 427 . 9 1 1 A 46 46 PHE N N 46 115.600 115.706 -0.106 1
1 428 . 9 1 1 A 47 47 THR H H 47 9.190 8.526 0.664 1
1 429 . 9 1 1 A 47 47 THR HA H 47 5.220 4.355 0.865 1
1 434 . 9 1 1 A 47 47 THR C C 47 175.000 174.846 0.154 1
1 435 . 9 1 1 A 47 47 THR CA C 47 63.000 65.844 -2.844 1
1 436 . 9 1 1 A 47 47 THR CB C 47 70.500 68.530 1.970 1
1 438 . 9 1 1 A 47 47 THR N N 47 109.900 116.385 -6.485 1
1 439 . 9 1 1 A 48 48 GLU H H 48 7.320 7.467 -0.147 1
1 440 . 9 1 1 A 48 48 GLU HA H 48 4.920 4.740 0.180 1
1 445 . 9 1 1 A 48 48 GLU C C 48 175.400 174.105 1.295 1
1 446 . 9 1 1 A 48 48 GLU CA C 48 55.200 54.911 0.289 1
1 447 . 9 1 1 A 48 48 GLU CB C 48 31.900 32.296 -0.396 1
1 449 . 9 1 1 A 48 48 GLU N N 48 115.400 118.535 -3.135 1
1 450 . 9 1 1 A 49 49 THR H H 49 8.150 8.525 -0.375 1
1 451 . 9 1 1 A 49 49 THR HA H 49 4.090 4.673 -0.583 1
1 456 . 9 1 1 A 49 49 THR C C 49 175.800 174.079 1.721 1
1 457 . 9 1 1 A 49 49 THR CA C 49 60.000 59.323 0.677 1
1 458 . 9 1 1 A 49 49 THR CB C 49 70.400 70.772 -0.372 1
1 460 . 9 1 1 A 49 49 THR N N 49 111.400 113.505 -2.105 1
1 461 . 9 1 1 A 50 50 ILE H H 50 7.720 8.771 -1.051 1
1 462 . 9 1 1 A 50 50 ILE HA H 50 3.630 3.679 -0.049 1
1 472 . 9 1 1 A 50 50 ILE C C 50 174.500 175.660 -1.160 1
1 473 . 9 1 1 A 50 50 ILE CA C 50 64.100 62.606 1.494 1
1 474 . 9 1 1 A 50 50 ILE CB C 50 38.700 38.021 0.679 1
1 478 . 9 1 1 A 50 50 ILE N N 50 121.700 125.663 -3.963 1
1 479 . 9 1 1 A 51 51 HIS H H 51 7.400 7.852 -0.452 1
1 480 . 9 1 1 A 51 51 HIS HA H 51 5.300 4.055 1.245 1
1 484 . 9 1 1 A 51 51 HIS C C 51 175.500 174.412 1.088 1
1 485 . 9 1 1 A 51 51 HIS CA C 51 51.800 56.664 -4.864 1
1 486 . 9 1 1 A 51 51 HIS CB C 51 29.700 27.781 1.919 1
1 487 . 9 1 1 A 51 51 HIS N N 51 115.500 120.154 -4.654 1
1 488 . 9 1 1 A 52 52 PRO HA H 52 4.350 4.276 0.074 1
1 495 . 9 1 1 A 52 52 PRO C C 52 176.900 175.636 1.264 1
1 496 . 9 1 1 A 52 52 PRO CA C 52 64.800 62.664 2.136 1
1 497 . 9 1 1 A 52 52 PRO CB C 52 31.300 32.269 -0.969 1
1 500 . 9 1 1 A 53 53 ASP H H 53 8.070 8.190 -0.120 1
1 501 . 9 1 1 A 53 53 ASP HA H 53 4.760 4.599 0.161 1
1 504 . 9 1 1 A 53 53 ASP C C 53 176.900 176.237 0.663 1
1 505 . 9 1 1 A 53 53 ASP CA C 53 52.100 53.652 -1.552 1
1 506 . 9 1 1 A 53 53 ASP CB C 53 39.700 40.288 -0.588 1
1 507 . 9 1 1 A 53 53 ASP N N 53 114.300 120.438 -6.138 1
1 508 . 9 1 1 A 54 54 SER H H 54 7.720 7.990 -0.270 1
1 509 . 9 1 1 A 54 54 SER HA H 54 4.040 4.527 -0.487 1
1 512 . 9 1 1 A 54 54 SER C C 54 173.200 174.084 -0.884 1
1 513 . 9 1 1 A 54 54 SER CA C 54 64.100 58.645 5.455 1
1 514 . 9 1 1 A 54 54 SER CB C 54 64.200 64.113 0.087 1
1 515 . 9 1 1 A 54 54 SER N N 54 116.300 114.135 2.165 1
1 516 . 9 1 1 A 55 55 VAL H H 55 7.360 7.330 0.030 1
1 517 . 9 1 1 A 55 55 VAL HA H 55 5.280 4.903 0.377 1
1 525 . 9 1 1 A 55 55 VAL C C 55 175.700 174.216 1.484 1
1 526 . 9 1 1 A 55 55 VAL CA C 55 57.300 59.599 -2.299 1
1 527 . 9 1 1 A 55 55 VAL CB C 55 34.800 34.962 -0.162 1
1 530 . 9 1 1 A 55 55 VAL N N 55 105.200 116.320 -11.120 1
1 531 . 9 1 1 A 56 56 THR H H 56 8.780 8.344 0.436 1
1 532 . 9 1 1 A 56 56 THR HA H 56 4.530 5.073 -0.543 1
1 537 . 9 1 1 A 56 56 THR C C 56 173.800 173.137 0.663 1
1 538 . 9 1 1 A 56 56 THR CA C 56 60.500 59.744 0.756 1
1 539 . 9 1 1 A 56 56 THR CB C 56 70.400 72.224 -1.824 1
1 541 . 9 1 1 A 56 56 THR N N 56 116.000 116.139 -0.139 1
1 542 . 9 1 1 A 57 57 LYS H H 57 8.610 8.730 -0.120 1
1 543 . 9 1 1 A 57 57 LYS HA H 57 5.490 5.229 0.261 1
1 550 . 9 1 1 A 57 57 LYS C C 57 176.000 175.204 0.796 1
1 551 . 9 1 1 A 57 57 LYS CA C 57 54.600 54.247 0.353 1
1 552 . 9 1 1 A 57 57 LYS CB C 57 36.000 36.212 -0.212 1
1 556 . 9 1 1 A 57 57 LYS N N 57 121.900 123.256 -1.356 1
1 557 . 9 1 1 A 58 58 CYS H H 58 8.610 8.786 -0.176 1
1 558 . 9 1 1 A 58 58 CYS HA H 58 5.100 5.064 0.036 1
1 561 . 9 1 1 A 58 58 CYS CA C 58 55.200 56.692 -1.492 1
1 562 . 9 1 1 A 58 58 CYS CB C 58 29.700 30.616 -0.916 1
1 563 . 9 1 1 A 58 58 CYS N N 58 120.600 117.586 3.014 1
1 564 . 9 1 1 A 59 59 PRO HA H 59 4.590 4.514 0.076 1
1 571 . 9 1 1 A 59 59 PRO C C 59 176.600 176.774 -0.174 1
1 572 . 9 1 1 A 59 59 PRO CA C 59 63.700 62.330 1.370 1
1 573 . 9 1 1 A 59 59 PRO CB C 59 32.100 31.989 0.111 1
1 576 . 9 1 1 A 60 60 GLU H H 60 8.630 8.045 0.585 1
1 577 . 9 1 1 A 60 60 GLU HA H 60 4.450 4.543 -0.093 1
1 582 . 9 1 1 A 60 60 GLU C C 60 176.900 176.871 0.029 1
1 583 . 9 1 1 A 60 60 GLU CA C 60 55.700 56.410 -0.710 1
1 584 . 9 1 1 A 60 60 GLU CB C 60 30.500 30.376 0.124 1
1 586 . 9 1 1 A 60 60 GLU N N 60 123.900 121.286 2.614 1
1 587 . 9 1 1 A 61 61 LYS H H 61 8.780 8.944 -0.164 1
1 588 . 9 1 1 A 61 61 LYS HA H 61 3.930 4.408 -0.478 1
1 596 . 9 1 1 A 61 61 LYS C C 61 177.100 177.445 -0.345 1
1 597 . 9 1 1 A 61 61 LYS CA C 61 58.300 57.296 1.004 1
1 598 . 9 1 1 A 61 61 LYS CB C 61 31.900 34.188 -2.288 1
1 602 . 9 1 1 A 61 61 LYS N N 61 127.000 123.466 3.534 1
1 603 . 9 1 1 A 62 62 ASN H H 62 8.870 8.288 0.582 1
1 604 . 9 1 1 A 62 62 ASN HA H 62 4.520 4.857 -0.337 1
1 609 . 9 1 1 A 62 62 ASN C C 62 174.400 175.210 -0.810 1
1 610 . 9 1 1 A 62 62 ASN CA C 62 54.000 52.507 1.493 1
1 611 . 9 1 1 A 62 62 ASN CB C 62 38.000 39.249 -1.249 1
1 612 . 9 1 1 A 62 62 ASN N N 62 117.000 113.263 3.737 1
1 613 . 9 1 1 A 63 63 ARG H H 63 7.430 7.756 -0.326 1
1 614 . 9 1 1 A 63 63 ARG HA H 63 4.810 4.759 0.051 1
1 622 . 9 1 1 A 63 63 ARG C C 63 172.300 174.300 -2.000 1
1 623 . 9 1 1 A 63 63 ARG CA C 63 53.800 53.654 0.146 1
1 624 . 9 1 1 A 63 63 ARG CB C 63 31.300 30.886 0.414 1
1 627 . 9 1 1 A 63 63 ARG N N 63 119.200 119.394 -0.194 1
1 629 . 9 1 1 A 64 64 PRO HA H 64 4.350 4.514 -0.164 1
1 636 . 9 1 1 A 64 64 PRO C C 64 176.900 175.965 0.935 1
1 637 . 9 1 1 A 64 64 PRO CA C 64 64.200 63.011 1.189 1
1 638 . 9 1 1 A 64 64 PRO CB C 64 31.800 29.794 2.006 1
1 641 . 9 1 1 A 65 65 GLU H H 65 9.210 8.618 0.592 1
1 642 . 9 1 1 A 65 65 GLU HA H 65 4.280 4.493 -0.213 1
1 647 . 9 1 1 A 65 65 GLU C C 65 174.300 175.018 -0.718 1
1 648 . 9 1 1 A 65 65 GLU CA C 65 56.600 55.918 0.682 1
1 649 . 9 1 1 A 65 65 GLU CB C 65 28.200 31.357 -3.157 1
1 651 . 9 1 1 A 65 65 GLU N N 65 117.000 119.702 -2.702 1
1 652 . 9 1 1 A 66 66 ALA H H 66 8.040 7.048 0.992 1
1 653 . 9 1 1 A 66 66 ALA HA H 66 5.230 4.220 1.010 1
1 657 . 9 1 1 A 66 66 ALA C C 66 174.900 174.787 0.113 1
1 658 . 9 1 1 A 66 66 ALA CA C 66 50.300 51.227 -0.927 1
1 659 . 9 1 1 A 66 66 ALA CB C 66 22.200 21.812 0.388 1
1 660 . 9 1 1 A 66 66 ALA N N 66 124.800 120.237 4.563 1
1 661 . 9 1 1 A 67 67 LEU H H 67 8.710 8.773 -0.063 1
1 662 . 9 1 1 A 67 67 LEU HA H 67 4.800 5.125 -0.325 1
1 672 . 9 1 1 A 67 67 LEU C C 67 177.200 176.157 1.043 1
1 673 . 9 1 1 A 67 67 LEU CA C 67 52.800 53.508 -0.708 1
1 674 . 9 1 1 A 67 67 LEU CB C 67 43.200 45.359 -2.159 1
1 678 . 9 1 1 A 67 67 LEU N N 67 120.400 118.195 2.205 1
1 679 . 9 1 1 A 68 68 LYS H H 68 9.180 9.403 -0.223 1
1 680 . 9 1 1 A 68 68 LYS HA H 68 4.050 5.038 -0.988 1
1 689 . 9 1 1 A 68 68 LYS C C 68 176.900 174.647 2.253 1
1 690 . 9 1 1 A 68 68 LYS CA C 68 57.100 55.069 2.031 1
1 691 . 9 1 1 A 68 68 LYS CB C 68 32.600 34.428 -1.828 1
1 695 . 9 1 1 A 68 68 LYS N N 68 125.300 120.833 4.467 1
1 696 . 9 1 1 A 69 69 VAL H H 69 8.150 8.185 -0.035 1
1 697 . 9 1 1 A 69 69 VAL HA H 69 5.240 4.633 0.607 1
1 705 . 9 1 1 A 69 69 VAL C C 69 174.900 175.005 -0.105 1
1 706 . 9 1 1 A 69 69 VAL CA C 69 59.900 60.792 -0.892 1
1 707 . 9 1 1 A 69 69 VAL CB C 69 34.700 33.384 1.316 1
1 710 . 9 1 1 A 69 69 VAL N N 69 121.600 125.138 -3.538 1
1 711 . 9 1 1 A 70 70 SER H H 70 8.610 8.630 -0.020 1
1 712 . 9 1 1 A 70 70 SER HA H 70 5.210 4.928 0.282 1
1 715 . 9 1 1 A 70 70 SER C C 70 171.900 172.392 -0.492 1
1 716 . 9 1 1 A 70 70 SER CA C 70 56.600 56.871 -0.271 1
1 717 . 9 1 1 A 70 70 SER CB C 70 65.600 66.043 -0.443 1
1 718 . 9 1 1 A 70 70 SER N N 70 120.600 120.641 -0.041 1
1 719 . 9 1 1 A 71 71 CYS H H 71 9.280 8.636 0.644 1
1 720 . 9 1 1 A 71 71 CYS HA H 71 4.130 4.489 -0.359 1
1 723 . 9 1 1 A 71 71 CYS C C 71 178.600 175.125 3.475 1
1 724 . 9 1 1 A 71 71 CYS CA C 71 61.600 58.182 3.418 1
1 725 . 9 1 1 A 71 71 CYS CB C 71 31.300 26.657 4.643 1
1 726 . 9 1 1 A 71 71 CYS N N 71 126.700 121.625 5.075 1
1 727 . 9 1 1 A 72 72 GLY H H 72 9.140 8.411 0.729 1
1 728 . 9 1 1 A 72 72 GLY HA2 H 72 3.760 3.857 -0.097 1
1 729 . 9 1 1 A 72 72 GLY HA3 H 72 3.670 3.860 -0.190 1
1 730 . 9 1 1 A 72 72 GLY C C 72 172.500 175.890 -3.390 1
1 731 . 9 1 1 A 72 72 GLY CA C 72 46.200 47.117 -0.917 1
1 732 . 9 1 1 A 72 72 GLY N N 72 120.100 113.757 6.343 1
1 733 . 9 1 1 A 73 73 LYS H H 73 9.090 8.023 1.067 1
1 734 . 9 1 1 A 73 73 LYS HA H 73 4.210 4.030 0.180 1
1 742 . 9 1 1 A 73 73 LYS C C 73 177.600 178.077 -0.477 1
1 743 . 9 1 1 A 73 73 LYS CA C 73 56.600 59.124 -2.524 1
1 744 . 9 1 1 A 73 73 LYS CB C 73 32.700 32.162 0.538 1
1 748 . 9 1 1 A 73 73 LYS N N 73 124.400 120.779 3.621 1
1 749 . 9 1 1 A 74 74 CYS H H 74 8.590 7.635 0.955 1
1 750 . 9 1 1 A 74 74 CYS HA H 74 4.910 4.595 0.315 1
1 753 . 9 1 1 A 74 74 CYS C C 74 177.400 175.522 1.878 1
1 754 . 9 1 1 A 74 74 CYS CA C 74 58.900 58.495 0.405 1
1 755 . 9 1 1 A 74 74 CYS CB C 74 33.300 29.146 4.154 1
1 756 . 9 1 1 A 74 74 CYS N N 74 119.700 113.999 5.701 1
1 757 . 9 1 1 A 75 75 GLY H H 75 7.760 8.636 -0.876 1
1 758 . 9 1 1 A 75 75 GLY HA2 H 75 4.210 3.939 0.271 1
1 759 . 9 1 1 A 75 75 GLY HA3 H 75 3.750 3.940 -0.190 1
1 760 . 9 1 1 A 75 75 GLY C C 75 174.000 173.825 0.175 1
1 761 . 9 1 1 A 75 75 GLY CA C 75 46.100 46.520 -0.420 1
1 762 . 9 1 1 A 75 75 GLY N N 75 113.000 111.331 1.669 1
1 763 . 9 1 1 A 76 76 ASN H H 76 9.050 7.811 1.239 1
1 764 . 9 1 1 A 76 76 ASN HA H 76 4.500 5.068 -0.568 1
1 769 . 9 1 1 A 76 76 ASN C C 76 178.700 174.120 4.580 1
1 770 . 9 1 1 A 76 76 ASN CA C 76 54.700 51.226 3.474 1
1 771 . 9 1 1 A 76 76 ASN CB C 76 39.800 40.432 -0.632 1
1 772 . 9 1 1 A 76 76 ASN N N 76 123.700 118.566 5.134 1
1 774 . 9 1 1 A 77 77 GLY H H 77 8.660 8.305 0.355 1
1 775 . 9 1 1 A 77 77 GLY HA2 H 77 3.970 4.178 -0.208 1
1 776 . 9 1 1 A 77 77 GLY HA3 H 77 3.710 4.178 -0.468 1
1 777 . 9 1 1 A 77 77 GLY C C 77 173.800 174.958 -1.158 1
1 778 . 9 1 1 A 77 77 GLY CA C 77 47.300 45.607 1.693 1
1 779 . 9 1 1 A 77 77 GLY N N 77 115.600 109.231 6.369 1
1 780 . 9 1 1 A 78 78 LEU H H 78 8.600 8.874 -0.274 1
1 781 . 9 1 1 A 78 78 LEU HA H 78 4.810 4.394 0.416 1
1 791 . 9 1 1 A 78 78 LEU C C 78 173.800 177.353 -3.553 1
1 792 . 9 1 1 A 78 78 LEU CA C 78 54.900 58.431 -3.531 1
1 793 . 9 1 1 A 78 78 LEU CB C 78 45.000 41.946 3.054 1
1 797 . 9 1 1 A 78 78 LEU N N 78 122.700 124.219 -1.519 1
1 798 . 9 1 1 A 79 79 GLY H H 79 7.100 7.456 -0.356 1
1 799 . 9 1 1 A 79 79 GLY HA2 H 79 4.650 4.252 0.398 1
1 800 . 9 1 1 A 79 79 GLY HA3 H 79 3.020 4.257 -1.237 1
1 801 . 9 1 1 A 79 79 GLY C C 79 173.000 171.442 1.558 1
1 802 . 9 1 1 A 79 79 GLY CA C 79 44.900 46.140 -1.240 1
1 803 . 9 1 1 A 79 79 GLY N N 79 102.400 103.308 -0.908 1
1 804 . 9 1 1 A 80 80 HIS H H 80 8.580 9.121 -0.541 1
1 805 . 9 1 1 A 80 80 HIS HA H 80 5.470 5.593 -0.123 1
1 810 . 9 1 1 A 80 80 HIS C C 80 172.300 174.178 -1.878 1
1 811 . 9 1 1 A 80 80 HIS CA C 80 55.000 54.676 0.324 1
1 812 . 9 1 1 A 80 80 HIS CB C 80 34.500 34.739 -0.239 1
1 813 . 9 1 1 A 80 80 HIS N N 80 122.400 119.287 3.113 1
1 814 . 9 1 1 A 81 81 GLU H H 81 9.260 9.318 -0.058 1
1 815 . 9 1 1 A 81 81 GLU HA H 81 4.100 5.021 -0.921 1
1 820 . 9 1 1 A 81 81 GLU C C 81 174.300 175.525 -1.225 1
1 821 . 9 1 1 A 81 81 GLU CA C 81 54.700 55.285 -0.585 1
1 822 . 9 1 1 A 81 81 GLU CB C 81 31.600 33.551 -1.951 1
1 824 . 9 1 1 A 81 81 GLU N N 81 123.700 120.808 2.892 1
1 825 . 9 1 1 A 82 82 PHE H H 82 9.150 9.171 -0.021 1
1 826 . 9 1 1 A 82 82 PHE HA H 82 5.080 4.804 0.276 1
1 830 . 9 1 1 A 82 82 PHE C C 82 174.300 174.993 -0.693 1
1 831 . 9 1 1 A 82 82 PHE CA C 82 56.700 58.857 -2.157 1
1 832 . 9 1 1 A 82 82 PHE CB C 82 38.800 40.186 -1.386 1
1 833 . 9 1 1 A 82 82 PHE N N 82 126.900 128.802 -1.902 1
1 834 . 9 1 1 A 83 83 LEU H H 83 8.280 8.775 -0.495 1
1 835 . 9 1 1 A 83 83 LEU HA H 83 4.100 4.742 -0.642 1
1 845 . 9 1 1 A 83 83 LEU C C 83 176.200 175.197 1.003 1
1 846 . 9 1 1 A 83 83 LEU CA C 83 55.500 53.443 2.057 1
1 847 . 9 1 1 A 83 83 LEU CB C 83 42.000 44.515 -2.515 1
1 849 . 9 1 1 A 83 83 LEU N N 83 126.900 126.732 0.168 1
1 850 . 9 1 1 A 84 84 ASN H H 84 9.260 8.821 0.439 1
1 851 . 9 1 1 A 84 84 ASN HA H 84 4.290 4.420 -0.130 1
1 856 . 9 1 1 A 84 84 ASN C C 84 174.400 174.402 -0.002 1
1 857 . 9 1 1 A 84 84 ASN CA C 84 54.800 54.923 -0.123 1
1 858 . 9 1 1 A 84 84 ASN CB C 84 37.900 37.017 0.883 1
1 859 . 9 1 1 A 84 84 ASN N N 84 116.900 118.471 -1.571 1
1 861 . 9 1 1 A 85 85 ASP H H 85 7.140 8.091 -0.951 1
1 862 . 9 1 1 A 85 85 ASP HA H 85 5.200 5.026 0.174 1
1 865 . 9 1 1 A 85 85 ASP C C 85 176.000 176.516 -0.516 1
1 866 . 9 1 1 A 85 85 ASP CA C 85 53.800 55.040 -1.240 1
1 867 . 9 1 1 A 85 85 ASP CB C 85 45.500 43.397 2.103 1
1 868 . 9 1 1 A 85 85 ASP N N 85 117.200 118.185 -0.985 1
1 869 . 9 1 1 A 86 86 GLY H H 86 8.230 8.022 0.208 1
1 870 . 9 1 1 A 86 86 GLY HA2 H 86 4.140 4.453 -0.313 1
1 871 . 9 1 1 A 86 86 GLY HA3 H 86 3.280 4.454 -1.174 1
1 872 . 9 1 1 A 86 86 GLY C C 86 171.700 173.742 -2.042 1
1 873 . 9 1 1 A 86 86 GLY CA C 86 44.600 46.629 -2.029 1
1 874 . 9 1 1 A 86 86 GLY N N 86 107.600 106.116 1.484 1
1 875 . 9 1 1 A 87 87 PRO HA H 87 4.190 4.275 -0.085 1
1 882 . 9 1 1 A 87 87 PRO C C 87 177.000 178.609 -1.609 1
1 883 . 9 1 1 A 87 87 PRO CA C 87 65.200 65.173 0.027 1
1 884 . 9 1 1 A 87 87 PRO CB C 87 31.700 31.814 -0.114 1
1 887 . 9 1 1 A 88 88 LYS H H 88 7.310 8.505 -1.195 1
1 888 . 9 1 1 A 88 88 LYS HA H 88 4.480 4.198 0.282 1
1 897 . 9 1 1 A 88 88 LYS C C 88 175.700 176.823 -1.123 1
1 898 . 9 1 1 A 88 88 LYS CA C 88 53.700 58.454 -4.754 1
1 899 . 9 1 1 A 88 88 LYS CB C 88 34.900 32.797 2.103 1
1 903 . 9 1 1 A 88 88 LYS N N 88 116.200 115.424 0.776 1
1 904 . 9 1 1 A 89 89 ARG H H 89 8.320 7.545 0.775 1
1 905 . 9 1 1 A 89 89 ARG HA H 89 4.010 4.344 -0.334 1
1 912 . 9 1 1 A 89 89 ARG C C 89 177.500 177.452 0.048 1
1 913 . 9 1 1 A 89 89 ARG CA C 89 57.900 56.536 1.364 1
1 914 . 9 1 1 A 89 89 ARG CB C 89 32.100 31.216 0.884 1
1 917 . 9 1 1 A 89 89 ARG N N 89 122.200 120.410 1.790 1
1 919 . 9 1 1 A 90 90 GLY H H 90 8.950 8.506 0.444 1
1 920 . 9 1 1 A 90 90 GLY HA2 H 90 4.240 3.960 0.280 1
1 921 . 9 1 1 A 90 90 GLY HA3 H 90 3.850 3.963 -0.113 1
1 922 . 9 1 1 A 90 90 GLY C C 90 175.000 174.195 0.805 1
1 923 . 9 1 1 A 90 90 GLY CA C 90 45.100 45.292 -0.192 1
1 924 . 9 1 1 A 90 90 GLY N N 90 115.100 111.236 3.864 1
1 925 . 9 1 1 A 91 91 GLN H H 91 8.120 7.643 0.477 1
1 926 . 9 1 1 A 91 91 GLN HA H 91 4.580 4.280 0.300 1
1 933 . 9 1 1 A 91 91 GLN C C 91 177.000 175.442 1.558 1
1 934 . 9 1 1 A 91 91 GLN CA C 91 55.900 57.254 -1.354 1
1 935 . 9 1 1 A 91 91 GLN CB C 91 31.000 29.407 1.593 1
1 937 . 9 1 1 A 91 91 GLN N N 91 120.900 120.628 0.272 1
1 938 . 9 1 1 A 92 92 SER H H 92 9.210 8.746 0.464 1
1 939 . 9 1 1 A 92 92 SER HA H 92 4.820 5.141 -0.321 1
1 942 . 9 1 1 A 92 92 SER C C 92 171.600 172.654 -1.054 1
1 943 . 9 1 1 A 92 92 SER CA C 92 57.700 58.027 -0.327 1
1 944 . 9 1 1 A 92 92 SER CB C 92 65.200 65.743 -0.543 1
1 945 . 9 1 1 A 92 92 SER N N 92 120.900 116.559 4.341 1
1 946 . 9 1 1 A 93 93 ARG H H 93 7.820 8.715 -0.895 1
1 947 . 9 1 1 A 93 93 ARG HA H 93 4.950 5.135 -0.185 1
1 952 . 9 1 1 A 93 93 ARG C C 93 176.400 175.033 1.367 1
1 953 . 9 1 1 A 93 93 ARG CA C 93 55.200 54.526 0.674 1
1 954 . 9 1 1 A 93 93 ARG CB C 93 34.600 33.463 1.137 1
1 957 . 9 1 1 A 93 93 ARG N N 93 117.800 123.771 -5.971 1
1 958 . 9 1 1 A 94 94 PHE H H 94 9.860 9.166 0.694 1
1 959 . 9 1 1 A 94 94 PHE HA H 94 4.780 5.298 -0.518 1
1 962 . 9 1 1 A 94 94 PHE C C 94 176.400 174.485 1.915 1
1 963 . 9 1 1 A 94 94 PHE CA C 94 58.300 55.349 2.951 1
1 964 . 9 1 1 A 94 94 PHE CB C 94 38.500 40.502 -2.002 1
1 965 . 9 1 1 A 94 94 PHE N N 94 127.100 121.056 6.044 1
1 966 . 9 1 1 A 95 95 CYS H H 95 9.190 8.506 0.684 1
1 967 . 9 1 1 A 95 95 CYS HA H 95 4.810 4.345 0.465 1
1 970 . 9 1 1 A 95 95 CYS CA C 95 57.300 58.761 -1.461 1
1 971 . 9 1 1 A 95 95 CYS CB C 95 28.700 28.909 -0.209 1
1 972 . 9 1 1 A 95 95 CYS N N 95 128.200 120.870 7.330 1
1 973 . 9 1 1 A 96 96 ILE H H 96 7.510 8.285 -0.775 1
1 974 . 9 1 1 A 96 96 ILE HA H 96 4.620 4.860 -0.240 1
1 983 . 9 1 1 A 96 96 ILE C C 96 173.700 173.162 0.538 1
1 984 . 9 1 1 A 96 96 ILE CA C 96 55.800 58.634 -2.834 1
1 985 . 9 1 1 A 96 96 ILE CB C 96 39.900 42.249 -2.349 1
1 989 . 9 1 1 A 96 96 ILE N N 96 130.700 122.680 8.020 1
1 990 . 9 1 1 A 97 97 PHE H H 97 8.040 8.454 -0.414 1
1 991 . 9 1 1 A 97 97 PHE HA H 97 4.920 5.066 -0.146 1
1 994 . 9 1 1 A 97 97 PHE C C 97 178.800 176.042 2.758 1
1 995 . 9 1 1 A 97 97 PHE CA C 97 57.500 56.335 1.165 1
1 996 . 9 1 1 A 97 97 PHE CB C 97 38.400 42.322 -3.922 1
1 997 . 9 1 1 A 97 97 PHE N N 97 122.400 123.125 -0.725 1
1 998 . 9 1 1 A 98 98 SER HA H 98 4.380 4.473 -0.093 1
1 1001 . 9 1 1 A 98 98 SER C C 98 176.400 175.336 1.064 1
1 1002 . 9 1 1 A 98 98 SER CA C 98 64.900 60.073 4.827 1
1 1003 . 9 1 1 A 98 98 SER CB C 98 63.600 63.840 -0.240 1
1 1004 . 9 1 1 A 99 99 SER H H 99 9.360 7.958 1.402 1
1 1005 . 9 1 1 A 99 99 SER HA H 99 4.300 4.424 -0.124 1
1 1008 . 9 1 1 A 99 99 SER C C 99 175.800 175.915 -0.115 1
1 1009 . 9 1 1 A 99 99 SER CA C 99 60.200 58.980 1.220 1
1 1010 . 9 1 1 A 99 99 SER CB C 99 62.700 63.149 -0.449 1
1 1011 . 9 1 1 A 99 99 SER N N 99 114.100 116.575 -2.475 1
1 1012 . 9 1 1 A 100 100 SER H H 100 8.150 8.101 0.049 1
1 1013 . 9 1 1 A 100 100 SER HA H 100 4.630 4.436 0.194 1
1 1016 . 9 1 1 A 100 100 SER C C 100 173.500 174.301 -0.801 1
1 1017 . 9 1 1 A 100 100 SER CA C 100 60.400 60.788 -0.388 1
1 1018 . 9 1 1 A 100 100 SER CB C 100 63.600 64.483 -0.883 1
1 1019 . 9 1 1 A 100 100 SER N N 100 118.700 114.766 3.934 1
1 1020 . 9 1 1 A 101 101 LEU H H 101 8.100 7.858 0.242 1
1 1021 . 9 1 1 A 101 101 LEU HA H 101 5.570 4.927 0.643 1
1 1031 . 9 1 1 A 101 101 LEU C C 101 176.000 175.140 0.860 1
1 1032 . 9 1 1 A 101 101 LEU CA C 101 53.400 53.336 0.064 1
1 1033 . 9 1 1 A 101 101 LEU CB C 101 46.700 45.496 1.204 1
1 1036 . 9 1 1 A 101 101 LEU N N 101 122.000 116.830 5.170 1
1 1037 . 9 1 1 A 102 102 LYS H H 102 8.950 8.420 0.530 1
1 1038 . 9 1 1 A 102 102 LYS HA H 102 4.710 5.150 -0.440 1
1 1045 . 9 1 1 A 102 102 LYS C C 102 174.400 174.901 -0.501 1
1 1046 . 9 1 1 A 102 102 LYS CA C 102 55.400 54.461 0.939 1
1 1047 . 9 1 1 A 102 102 LYS CB C 102 36.500 35.833 0.667 1
1 1051 . 9 1 1 A 102 102 LYS N N 102 119.500 119.256 0.244 1
1 1052 . 9 1 1 A 103 103 PHE H H 103 9.010 8.851 0.159 1
1 1053 . 9 1 1 A 103 103 PHE HA H 103 4.750 5.082 -0.332 1
1 1056 . 9 1 1 A 103 103 PHE C C 103 173.900 173.595 0.305 1
1 1057 . 9 1 1 A 103 103 PHE CA C 103 57.100 55.305 1.795 1
1 1058 . 9 1 1 A 103 103 PHE CB C 103 41.300 41.995 -0.695 1
1 1059 . 9 1 1 A 103 103 PHE N N 103 124.500 122.932 1.568 1
1 1060 . 9 1 1 A 104 104 VAL H H 104 8.550 8.382 0.168 1
1 1061 . 9 1 1 A 104 104 VAL HA H 104 4.140 4.644 -0.504 1
1 1069 . 9 1 1 A 104 104 VAL C C 104 172.800 173.749 -0.949 1
1 1070 . 9 1 1 A 104 104 VAL CA C 104 58.800 58.582 0.218 1
1 1071 . 9 1 1 A 104 104 VAL CB C 104 32.300 33.161 -0.861 1
1 1074 . 9 1 1 A 104 104 VAL N N 104 132.000 127.605 4.395 1
1 1075 . 9 1 1 A 105 105 PRO HA H 105 4.110 4.343 -0.233 1
1 1082 . 9 1 1 A 105 105 PRO C C 105 176.400 176.784 -0.384 1
1 1083 . 9 1 1 A 105 105 PRO CA C 105 62.400 62.258 0.142 1
1 1084 . 9 1 1 A 105 105 PRO CB C 105 32.400 32.394 0.006 1
1 1087 . 9 1 1 A 106 106 LYS H H 106 7.900 8.413 -0.513 1
1 1088 . 9 1 1 A 106 106 LYS HA H 106 4.170 4.395 -0.225 1
1 1096 . 9 1 1 A 106 106 LYS C C 106 176.900 177.916 -1.016 1
1 1097 . 9 1 1 A 106 106 LYS CA C 106 56.700 55.807 0.893 1
1 1098 . 9 1 1 A 106 106 LYS CB C 106 33.500 34.247 -0.747 1
1 1102 . 9 1 1 A 106 106 LYS N N 106 123.200 121.871 1.329 1
1 1103 . 9 1 1 A 107 107 GLY H H 107 8.740 8.645 0.095 1
1 1104 . 9 1 1 A 107 107 GLY HA2 H 107 3.930 3.799 0.131 1
1 1105 . 9 1 1 A 107 107 GLY HA3 H 107 3.960 3.812 0.148 1
1 1106 . 9 1 1 A 107 107 GLY C C 107 174.000 175.868 -1.868 1
1 1107 . 9 1 1 A 107 107 GLY CA C 107 45.000 47.098 -2.098 1
1 1108 . 9 1 1 A 107 107 GLY N N 107 113.500 109.807 3.693 1
1 1109 . 9 1 1 A 108 108 LYS H H 108 8.240 7.905 0.335 1
1 1110 . 9 1 1 A 108 108 LYS HA H 108 4.290 4.394 -0.104 1
1 1118 . 9 1 1 A 108 108 LYS C C 108 176.700 177.032 -0.332 1
1 1119 . 9 1 1 A 108 108 LYS CA C 108 56.000 57.224 -1.224 1
1 1120 . 9 1 1 A 108 108 LYS CB C 108 32.700 33.982 -1.282 1
1 1124 . 9 1 1 A 108 108 LYS N N 108 121.500 122.100 -0.600 1
1 1125 . 9 1 1 A 109 109 GLU H H 109 8.650 8.297 0.353 1
1 1126 . 9 1 1 A 109 109 GLU HA H 109 4.180 4.668 -0.488 1
1 1131 . 9 1 1 A 109 109 GLU C C 109 176.500 176.569 -0.069 1
1 1132 . 9 1 1 A 109 109 GLU CA C 109 56.600 58.347 -1.747 1
1 1133 . 9 1 1 A 109 109 GLU CB C 109 29.900 31.581 -1.681 1
1 1135 . 9 1 1 A 109 109 GLU N N 109 122.800 118.421 4.379 1
1 1136 . 9 1 1 A 110 110 ALA H H 110 8.400 7.865 0.535 1
1 1137 . 9 1 1 A 110 110 ALA HA H 110 4.190 3.942 0.248 1
1 1141 . 9 1 1 A 110 110 ALA CA C 110 52.500 54.793 -2.293 1
1 1142 . 9 1 1 A 110 110 ALA CB C 110 19.000 18.047 0.953 1
1 1143 . 9 1 1 A 110 110 ALA N N 110 126.100 122.218 3.882 1
1 1144 . 9 1 1 A 111 111 ALA H H 111 8.240 8.436 -0.196 1
1 1145 . 9 1 1 A 111 111 ALA HA H 111 4.220 4.008 0.212 1
1 1149 . 9 1 1 A 111 111 ALA C C 111 177.800 176.673 1.127 1
1 1150 . 9 1 1 A 111 111 ALA CA C 111 52.600 53.363 -0.763 1
1 1151 . 9 1 1 A 111 111 ALA CB C 111 19.000 17.319 1.681 1
1 1152 . 9 1 1 A 111 111 ALA N N 111 123.800 119.295 4.505 1
1 1153 . 9 1 1 A 112 112 ALA H H 112 8.220 8.383 -0.163 1
1 1154 . 9 1 1 A 112 112 ALA HA H 112 4.250 4.465 -0.215 1
1 1158 . 9 1 1 A 112 112 ALA C C 112 178.100 176.696 1.404 1
1 1159 . 9 1 1 A 112 112 ALA CA C 112 52.600 52.925 -0.325 1
1 1160 . 9 1 1 A 112 112 ALA CB C 112 19.100 18.031 1.069 1
1 1161 . 9 1 1 A 112 112 ALA N N 112 123.600 111.879 11.721 1
1 1162 . 9 1 1 A 113 113 SER H H 113 8.200 7.582 0.618 1
1 1163 . 9 1 1 A 113 113 SER HA H 113 4.360 4.979 -0.619 1
1 1166 . 9 1 1 A 113 113 SER C C 113 174.800 172.421 2.379 1
1 1167 . 9 1 1 A 113 113 SER CA C 113 58.300 57.224 1.076 1
1 1168 . 9 1 1 A 113 113 SER CB C 113 63.500 65.697 -2.197 1
1 1169 . 9 1 1 A 113 113 SER N N 113 115.400 113.671 1.729 1
1 1170 . 9 1 1 A 114 114 GLN H H 114 8.320 8.508 -0.188 1
1 1171 . 9 1 1 A 114 114 GLN HA H 114 4.290 4.377 -0.087 1
1 1178 . 9 1 1 A 114 114 GLN C C 114 176.500 175.189 1.311 1
1 1179 . 9 1 1 A 114 114 GLN CA C 114 55.900 55.327 0.573 1
1 1180 . 9 1 1 A 114 114 GLN CB C 114 29.300 30.724 -1.424 1
1 1182 . 9 1 1 A 114 114 GLN N N 114 122.500 120.819 1.681 1
1 1183 . 9 1 1 A 115 115 GLY H H 115 8.370 8.371 -0.001 1
1 1184 . 9 1 1 A 115 115 GLY HA2 H 115 3.850 3.963 -0.113 1
1 1185 . 9 1 1 A 115 115 GLY HA3 H 115 3.850 4.032 -0.182 1
1 1186 . 9 1 1 A 115 115 GLY C C 115 173.900 172.018 1.882 1
1 1187 . 9 1 1 A 115 115 GLY CA C 115 45.400 44.923 0.477 1
1 1188 . 9 1 1 A 115 115 GLY N N 115 110.000 108.348 1.652 1
1 1189 . 9 1 1 A 116 116 HIS H H 116 8.290 8.666 -0.376 1
1 1190 . 9 1 1 A 116 116 HIS HA H 116 4.620 5.563 -0.943 1
1 1195 . 9 1 1 A 116 116 HIS C C 116 174.600 173.719 0.881 1
1 1196 . 9 1 1 A 116 116 HIS CA C 116 55.500 53.961 1.539 1
1 1197 . 9 1 1 A 116 116 HIS CB C 116 29.100 33.060 -3.960 1
1 1198 . 9 1 1 A 116 116 HIS N N 116 119.100 120.604 -1.504 1
1 1199 . 9 1 1 A 117 117 LEU H H 117 8.220 8.704 -0.484 1
1 1200 . 9 1 1 A 117 117 LEU HA H 117 4.240 4.472 -0.232 1
1 1210 . 9 1 1 A 117 117 LEU C C 117 174.600 176.519 -1.919 1
1 1211 . 9 1 1 A 117 117 LEU CA C 117 55.100 54.048 1.052 1
1 1212 . 9 1 1 A 117 117 LEU CB C 117 42.300 43.668 -1.368 1
1 1216 . 9 1 1 A 117 117 LEU N N 117 124.100 120.161 3.939 1
1 1217 . 9 1 1 A 118 118 GLU H H 118 8.350 8.952 -0.602 1
1 1218 . 9 1 1 A 118 118 GLU HA H 118 4.160 5.416 -1.256 1
1 1223 . 9 1 1 A 118 118 GLU C C 118 176.000 174.646 1.354 1
1 1224 . 9 1 1 A 118 118 GLU CA C 118 56.300 55.140 1.160 1
1 1225 . 9 1 1 A 118 118 GLU CB C 118 30.300 33.749 -3.449 1
1 1227 . 9 1 1 A 118 118 GLU N N 118 122.300 117.339 4.961 1
1 1228 . 9 1 1 A 119 119 HIS H H 119 8.410 8.831 -0.421 1
1 1229 . 9 1 1 A 119 119 HIS HA H 119 4.570 5.151 -0.581 1
1 1232 . 9 1 1 A 119 119 HIS C C 119 174.500 172.890 1.610 1
1 1233 . 9 1 1 A 119 119 HIS CA C 119 55.400 54.745 0.655 1
1 1234 . 9 1 1 A 119 119 HIS CB C 119 29.400 31.705 -2.305 1
1 1235 . 9 1 1 A 119 119 HIS N N 119 120.500 116.908 3.592 1
1 1236 . 9 1 1 A 120 120 HIS H H 120 8.530 8.644 -0.114 1
1 1237 . 9 1 1 A 120 120 HIS HA H 120 4.640 5.117 -0.477 1
1 1240 . 9 1 1 A 120 120 HIS C C 120 174.400 173.392 1.008 1
1 1241 . 9 1 1 A 120 120 HIS CA C 120 57.900 54.747 3.153 1
1 1242 . 9 1 1 A 120 120 HIS CB C 120 29.400 31.613 -2.213 1
1 1 . 10 1 1 A 3 3 PHE HA H 3 4.650 4.359 0.291 1
1 4 . 10 1 1 A 3 3 PHE C C 3 174.500 174.338 0.162 1
1 5 . 10 1 1 A 3 3 PHE CA C 3 57.800 59.948 -2.148 1
1 6 . 10 1 1 A 3 3 PHE CB C 3 39.600 38.187 1.413 1
1 7 . 10 1 1 A 4 4 CYS H H 4 8.270 8.598 -0.328 1
1 8 . 10 1 1 A 4 4 CYS HA H 4 4.380 5.006 -0.626 1
1 11 . 10 1 1 A 4 4 CYS C C 4 173.800 173.188 0.612 1
1 12 . 10 1 1 A 4 4 CYS CA C 4 58.100 57.599 0.501 1
1 13 . 10 1 1 A 4 4 CYS CB C 4 28.100 31.162 -3.062 1
1 14 . 10 1 1 A 4 4 CYS N N 4 122.600 117.607 4.993 1
1 15 . 10 1 1 A 5 5 SER H H 5 8.250 8.672 -0.422 1
1 16 . 10 1 1 A 5 5 SER HA H 5 4.270 5.200 -0.930 1
1 19 . 10 1 1 A 5 5 SER C C 5 173.700 172.519 1.181 1
1 20 . 10 1 1 A 5 5 SER CA C 5 58.300 57.870 0.430 1
1 21 . 10 1 1 A 5 5 SER CB C 5 63.700 65.777 -2.077 1
1 22 . 10 1 1 A 5 5 SER N N 5 119.600 113.503 6.097 1
1 23 . 10 1 1 A 6 6 PHE H H 6 8.010 9.156 -1.146 1
1 24 . 10 1 1 A 6 6 PHE HA H 6 4.560 5.266 -0.706 1
1 28 . 10 1 1 A 6 6 PHE C C 6 173.700 174.456 -0.756 1
1 29 . 10 1 1 A 6 6 PHE CA C 6 57.600 56.673 0.927 1
1 30 . 10 1 1 A 6 6 PHE CB C 6 39.700 43.842 -4.142 1
1 31 . 10 1 1 A 6 6 PHE N N 6 122.500 121.037 1.463 1
1 32 . 10 1 1 A 7 7 PHE H H 7 8.230 9.326 -1.096 1
1 33 . 10 1 1 A 7 7 PHE HA H 7 4.530 5.345 -0.815 1
1 36 . 10 1 1 A 7 7 PHE C C 7 175.800 175.790 0.010 1
1 37 . 10 1 1 A 7 7 PHE CA C 7 57.600 56.194 1.406 1
1 38 . 10 1 1 A 7 7 PHE CB C 7 39.700 43.409 -3.709 1
1 39 . 10 1 1 A 7 7 PHE N N 7 123.000 119.181 3.819 1
1 40 . 10 1 1 A 8 8 GLY H H 8 7.870 8.588 -0.718 1
1 41 . 10 1 1 A 8 8 GLY HA2 H 8 3.800 4.244 -0.444 1
1 42 . 10 1 1 A 8 8 GLY HA3 H 8 3.750 4.279 -0.529 1
1 43 . 10 1 1 A 8 8 GLY C C 8 174.300 174.184 0.116 1
1 44 . 10 1 1 A 8 8 GLY CA C 8 45.300 45.744 -0.444 1
1 45 . 10 1 1 A 8 8 GLY N N 8 111.200 110.790 0.410 1
1 46 . 10 1 1 A 9 9 GLY H H 9 7.930 7.773 0.157 1
1 47 . 10 1 1 A 9 9 GLY HA2 H 9 3.920 4.172 -0.252 1
1 48 . 10 1 1 A 9 9 GLY HA3 H 9 3.850 4.200 -0.350 1
1 49 . 10 1 1 A 9 9 GLY C C 9 175.200 173.320 1.880 1
1 50 . 10 1 1 A 9 9 GLY CA C 9 45.100 45.774 -0.674 1
1 51 . 10 1 1 A 9 9 GLY N N 9 108.400 106.705 1.695 1
1 52 . 10 1 1 A 10 10 GLU H H 10 8.400 7.843 0.557 1
1 53 . 10 1 1 A 10 10 GLU HA H 10 4.360 4.579 -0.219 1
1 58 . 10 1 1 A 10 10 GLU C C 10 178.400 177.157 1.243 1
1 59 . 10 1 1 A 10 10 GLU CA C 10 54.700 55.340 -0.640 1
1 60 . 10 1 1 A 10 10 GLU CB C 10 36.700 31.511 5.189 1
1 62 . 10 1 1 A 10 10 GLU N N 10 122.600 119.273 3.327 1
1 63 . 10 1 1 A 11 11 VAL H H 11 7.940 8.046 -0.106 1
1 64 . 10 1 1 A 11 11 VAL HA H 11 3.680 3.999 -0.319 1
1 72 . 10 1 1 A 11 11 VAL C C 11 176.600 176.742 -0.142 1
1 73 . 10 1 1 A 11 11 VAL CA C 11 63.800 63.293 0.507 1
1 74 . 10 1 1 A 11 11 VAL CB C 11 31.200 31.792 -0.592 1
1 77 . 10 1 1 A 11 11 VAL N N 11 120.300 123.247 -2.947 1
1 78 . 10 1 1 A 12 12 PHE H H 12 7.730 7.586 0.144 1
1 79 . 10 1 1 A 12 12 PHE HA H 12 5.200 4.413 0.787 1
1 83 . 10 1 1 A 12 12 PHE C C 12 177.100 176.205 0.895 1
1 84 . 10 1 1 A 12 12 PHE CA C 12 55.700 57.458 -1.758 1
1 85 . 10 1 1 A 12 12 PHE CB C 12 38.200 38.558 -0.358 1
1 86 . 10 1 1 A 12 12 PHE N N 12 113.700 120.241 -6.541 1
1 87 . 10 1 1 A 13 13 GLN H H 13 8.080 7.828 0.252 1
1 88 . 10 1 1 A 13 13 GLN HA H 13 3.270 4.080 -0.810 1
1 95 . 10 1 1 A 13 13 GLN C C 13 175.400 177.164 -1.764 1
1 96 . 10 1 1 A 13 13 GLN CA C 13 62.100 58.782 3.318 1
1 97 . 10 1 1 A 13 13 GLN CB C 13 27.100 28.249 -1.149 1
1 99 . 10 1 1 A 13 13 GLN N N 13 126.400 120.138 6.262 1
1 100 . 10 1 1 A 14 14 ASN H H 14 8.580 7.589 0.991 1
1 101 . 10 1 1 A 14 14 ASN HA H 14 5.010 4.388 0.622 1
1 106 . 10 1 1 A 14 14 ASN C C 14 173.000 175.466 -2.466 1
1 107 . 10 1 1 A 14 14 ASN CA C 14 51.500 54.314 -2.814 1
1 108 . 10 1 1 A 14 14 ASN CB C 14 37.900 39.332 -1.432 1
1 109 . 10 1 1 A 14 14 ASN N N 14 115.900 115.989 -0.089 1
1 111 . 10 1 1 A 15 15 HIS H H 15 6.070 7.563 -1.493 1
1 112 . 10 1 1 A 15 15 HIS HA H 15 4.370 4.345 0.025 1
1 117 . 10 1 1 A 15 15 HIS C C 15 174.400 175.094 -0.694 1
1 118 . 10 1 1 A 15 15 HIS CA C 15 56.600 56.635 -0.035 1
1 119 . 10 1 1 A 15 15 HIS CB C 15 33.400 29.884 3.516 1
1 120 . 10 1 1 A 15 15 HIS N N 15 120.500 117.713 2.787 1
1 121 . 10 1 1 A 16 16 PHE H H 16 8.880 8.731 0.149 1
1 122 . 10 1 1 A 16 16 PHE HA H 16 4.870 4.589 0.281 1
1 125 . 10 1 1 A 16 16 PHE C C 16 174.300 175.256 -0.956 1
1 126 . 10 1 1 A 16 16 PHE CA C 16 57.100 56.277 0.823 1
1 127 . 10 1 1 A 16 16 PHE CB C 16 39.700 36.784 2.916 1
1 128 . 10 1 1 A 16 16 PHE N N 16 127.200 124.973 2.227 1
1 129 . 10 1 1 A 17 17 GLU H H 17 5.780 7.776 -1.996 1
1 130 . 10 1 1 A 17 17 GLU HA H 17 4.500 4.637 -0.137 1
1 135 . 10 1 1 A 17 17 GLU C C 17 174.300 174.549 -0.249 1
1 136 . 10 1 1 A 17 17 GLU CA C 17 53.500 54.642 -1.142 1
1 137 . 10 1 1 A 17 17 GLU CB C 17 30.700 28.544 2.156 1
1 139 . 10 1 1 A 17 17 GLU N N 17 119.900 120.074 -0.174 1
1 140 . 10 1 1 A 18 18 PRO HA H 18 4.630 4.814 -0.184 1
1 147 . 10 1 1 A 18 18 PRO C C 18 178.100 176.271 1.829 1
1 148 . 10 1 1 A 18 18 PRO CA C 18 62.700 62.779 -0.079 1
1 149 . 10 1 1 A 18 18 PRO CB C 18 31.400 32.437 -1.037 1
1 152 . 10 1 1 A 19 19 GLY H H 19 8.820 8.364 0.456 1
1 153 . 10 1 1 A 19 19 GLY HA2 H 19 4.500 4.183 0.317 1
1 154 . 10 1 1 A 19 19 GLY HA3 H 19 3.630 4.213 -0.583 1
1 155 . 10 1 1 A 19 19 GLY C C 19 171.000 171.846 -0.846 1
1 156 . 10 1 1 A 19 19 GLY CA C 19 46.200 45.561 0.639 1
1 157 . 10 1 1 A 19 19 GLY N N 19 111.300 108.179 3.121 1
1 158 . 10 1 1 A 20 20 VAL H H 20 8.070 8.041 0.029 1
1 159 . 10 1 1 A 20 20 VAL HA H 20 4.750 4.868 -0.118 1
1 167 . 10 1 1 A 20 20 VAL C C 20 172.300 172.788 -0.488 1
1 168 . 10 1 1 A 20 20 VAL CA C 20 60.200 59.832 0.368 1
1 169 . 10 1 1 A 20 20 VAL CB C 20 36.100 35.493 0.607 1
1 172 . 10 1 1 A 20 20 VAL N N 20 120.700 119.616 1.084 1
1 173 . 10 1 1 A 21 21 TYR H H 21 9.560 8.703 0.857 1
1 174 . 10 1 1 A 21 21 TYR HA H 21 5.230 5.181 0.049 1
1 177 . 10 1 1 A 21 21 TYR C C 21 175.600 173.817 1.783 1
1 178 . 10 1 1 A 21 21 TYR CA C 21 56.800 55.865 0.935 1
1 179 . 10 1 1 A 21 21 TYR CB C 21 39.200 41.605 -2.405 1
1 180 . 10 1 1 A 21 21 TYR N N 21 123.200 125.411 -2.211 1
1 181 . 10 1 1 A 22 22 VAL H H 22 9.400 8.332 1.068 1
1 182 . 10 1 1 A 22 22 VAL HA H 22 4.950 4.466 0.484 1
1 190 . 10 1 1 A 22 22 VAL C C 22 174.000 174.033 -0.033 1
1 191 . 10 1 1 A 22 22 VAL CA C 22 57.100 58.548 -1.448 1
1 192 . 10 1 1 A 22 22 VAL CB C 22 33.900 35.306 -1.406 1
1 195 . 10 1 1 A 22 22 VAL N N 22 119.100 120.627 -1.527 1
1 196 . 10 1 1 A 23 23 CYS H H 23 9.020 8.497 0.523 1
1 197 . 10 1 1 A 23 23 CYS HA H 23 4.260 4.702 -0.442 1
1 200 . 10 1 1 A 23 23 CYS C C 23 178.700 175.853 2.847 1
1 201 . 10 1 1 A 23 23 CYS CA C 23 60.600 59.060 1.540 1
1 202 . 10 1 1 A 23 23 CYS CB C 23 31.700 28.953 2.747 1
1 203 . 10 1 1 A 23 23 CYS N N 23 123.800 122.447 1.353 1
1 204 . 10 1 1 A 24 24 ALA H H 24 8.760 9.177 -0.417 1
1 205 . 10 1 1 A 24 24 ALA HA H 24 3.840 4.047 -0.207 1
1 209 . 10 1 1 A 24 24 ALA C C 24 177.500 178.885 -1.385 1
1 210 . 10 1 1 A 24 24 ALA CA C 24 55.000 54.798 0.202 1
1 211 . 10 1 1 A 24 24 ALA CB C 24 18.700 18.393 0.307 1
1 212 . 10 1 1 A 24 24 ALA N N 24 131.900 128.882 3.018 1
1 213 . 10 1 1 A 25 25 LYS H H 25 9.200 7.724 1.476 1
1 214 . 10 1 1 A 25 25 LYS HA H 25 4.380 4.442 -0.062 1
1 222 . 10 1 1 A 25 25 LYS C C 25 178.100 178.753 -0.653 1
1 223 . 10 1 1 A 25 25 LYS CA C 25 57.900 58.413 -0.513 1
1 224 . 10 1 1 A 25 25 LYS CB C 25 33.500 33.496 0.004 1
1 228 . 10 1 1 A 25 25 LYS N N 25 120.000 116.580 3.420 1
1 229 . 10 1 1 A 26 26 CYS H H 26 8.730 7.969 0.761 1
1 230 . 10 1 1 A 26 26 CYS HA H 26 5.000 4.199 0.801 1
1 233 . 10 1 1 A 26 26 CYS C C 26 177.000 175.146 1.854 1
1 234 . 10 1 1 A 26 26 CYS CA C 26 59.400 63.041 -3.641 1
1 235 . 10 1 1 A 26 26 CYS CB C 26 32.900 27.550 5.350 1
1 236 . 10 1 1 A 26 26 CYS N N 26 120.900 118.111 2.789 1
1 237 . 10 1 1 A 27 27 SER H H 27 8.170 8.143 0.027 1
1 238 . 10 1 1 A 27 27 SER HA H 27 4.140 4.411 -0.271 1
1 241 . 10 1 1 A 27 27 SER C C 27 174.800 173.909 0.891 1
1 242 . 10 1 1 A 27 27 SER CA C 27 60.900 59.351 1.549 1
1 243 . 10 1 1 A 27 27 SER CB C 27 61.600 61.076 0.524 1
1 244 . 10 1 1 A 27 27 SER N N 27 115.800 115.373 0.427 1
1 245 . 10 1 1 A 28 28 TYR H H 28 9.010 7.795 1.215 1
1 246 . 10 1 1 A 28 28 TYR HA H 28 4.420 4.748 -0.328 1
1 249 . 10 1 1 A 28 28 TYR C C 28 176.600 174.860 1.740 1
1 250 . 10 1 1 A 28 28 TYR CA C 28 59.300 56.675 2.625 1
1 251 . 10 1 1 A 28 28 TYR CB C 28 39.600 39.325 0.275 1
1 252 . 10 1 1 A 28 28 TYR N N 28 127.100 122.440 4.660 1
1 253 . 10 1 1 A 29 29 GLU H H 29 7.730 8.547 -0.817 1
1 254 . 10 1 1 A 29 29 GLU HA H 29 3.670 4.241 -0.571 1
1 259 . 10 1 1 A 29 29 GLU C C 29 174.900 176.518 -1.618 1
1 260 . 10 1 1 A 29 29 GLU CA C 29 58.700 56.864 1.836 1
1 261 . 10 1 1 A 29 29 GLU CB C 29 29.800 29.700 0.100 1
1 263 . 10 1 1 A 29 29 GLU N N 29 124.500 127.370 -2.870 1
1 264 . 10 1 1 A 30 30 LEU H H 30 7.940 8.556 -0.616 1
1 265 . 10 1 1 A 30 30 LEU HA H 30 4.140 4.936 -0.796 1
1 274 . 10 1 1 A 30 30 LEU C C 30 175.400 175.437 -0.037 1
1 275 . 10 1 1 A 30 30 LEU CA C 30 56.200 53.271 2.929 1
1 276 . 10 1 1 A 30 30 LEU CB C 30 46.700 44.948 1.752 1
1 277 . 10 1 1 A 30 30 LEU N N 30 121.800 121.348 0.452 1
1 278 . 10 1 1 A 31 31 PHE H H 31 7.880 8.682 -0.802 1
1 279 . 10 1 1 A 31 31 PHE HA H 31 4.720 4.909 -0.189 1
1 282 . 10 1 1 A 31 31 PHE C C 31 174.600 172.764 1.836 1
1 283 . 10 1 1 A 31 31 PHE CA C 31 56.600 58.277 -1.677 1
1 284 . 10 1 1 A 31 31 PHE CB C 31 45.300 41.571 3.729 1
1 285 . 10 1 1 A 31 31 PHE N N 31 113.300 122.619 -9.319 1
1 286 . 10 1 1 A 32 32 SER H H 32 10.030 7.514 2.516 1
1 287 . 10 1 1 A 32 32 SER HA H 32 4.860 4.865 -0.005 1
1 290 . 10 1 1 A 32 32 SER CA C 32 57.000 55.835 1.165 1
1 291 . 10 1 1 A 32 32 SER CB C 32 63.700 65.927 -2.227 1
1 292 . 10 1 1 A 32 32 SER N N 32 118.700 118.736 -0.036 1
1 293 . 10 1 1 A 33 33 SER H H 33 8.990 8.685 0.305 1
1 294 . 10 1 1 A 33 33 SER HA H 33 4.840 4.472 0.368 1
1 297 . 10 1 1 A 33 33 SER C C 33 177.300 175.937 1.363 1
1 298 . 10 1 1 A 33 33 SER CA C 33 63.700 60.620 3.080 1
1 299 . 10 1 1 A 33 33 SER CB C 33 63.700 63.567 0.133 1
1 300 . 10 1 1 A 33 33 SER N N 33 123.100 119.665 3.435 1
1 301 . 10 1 1 A 34 34 HIS HA H 34 4.710 4.177 0.533 1
1 304 . 10 1 1 A 34 34 HIS C C 34 175.800 176.893 -1.093 1
1 305 . 10 1 1 A 34 34 HIS CA C 34 57.900 58.025 -0.125 1
1 306 . 10 1 1 A 34 34 HIS CB C 34 28.600 30.391 -1.791 1
1 307 . 10 1 1 A 35 35 SER H H 35 7.960 7.428 0.532 1
1 308 . 10 1 1 A 35 35 SER HA H 35 4.820 3.820 1.000 1
1 311 . 10 1 1 A 35 35 SER C C 35 173.200 173.715 -0.515 1
1 312 . 10 1 1 A 35 35 SER CA C 35 58.100 60.791 -2.691 1
1 313 . 10 1 1 A 35 35 SER CB C 35 65.300 62.440 2.860 1
1 314 . 10 1 1 A 35 35 SER N N 35 114.500 111.648 2.852 1
1 315 . 10 1 1 A 36 36 LYS H H 36 7.630 7.444 0.186 1
1 316 . 10 1 1 A 36 36 LYS HA H 36 4.890 4.714 0.176 1
1 322 . 10 1 1 A 36 36 LYS C C 36 176.100 174.204 1.896 1
1 323 . 10 1 1 A 36 36 LYS CA C 36 55.400 54.333 1.067 1
1 324 . 10 1 1 A 36 36 LYS CB C 36 35.400 36.271 -0.871 1
1 328 . 10 1 1 A 36 36 LYS N N 36 126.900 120.481 6.419 1
1 329 . 10 1 1 A 37 37 TYR H H 37 8.440 8.736 -0.296 1
1 330 . 10 1 1 A 37 37 TYR HA H 37 5.100 5.122 -0.022 1
1 333 . 10 1 1 A 37 37 TYR C C 37 172.800 175.132 -2.332 1
1 334 . 10 1 1 A 37 37 TYR CA C 37 55.400 56.810 -1.410 1
1 335 . 10 1 1 A 37 37 TYR CB C 37 41.000 43.389 -2.389 1
1 336 . 10 1 1 A 37 37 TYR N N 37 124.200 122.298 1.902 1
1 337 . 10 1 1 A 38 38 ALA H H 38 8.590 8.522 0.068 1
1 338 . 10 1 1 A 38 38 ALA HA H 38 4.630 4.863 -0.233 1
1 342 . 10 1 1 A 38 38 ALA C C 38 175.900 176.800 -0.900 1
1 343 . 10 1 1 A 38 38 ALA CA C 38 52.500 50.917 1.583 1
1 344 . 10 1 1 A 38 38 ALA CB C 38 18.300 20.216 -1.916 1
1 345 . 10 1 1 A 38 38 ALA N N 38 125.100 124.977 0.123 1
1 346 . 10 1 1 A 39 39 HIS H H 39 8.080 8.537 -0.457 1
1 347 . 10 1 1 A 39 39 HIS HA H 39 4.620 4.776 -0.156 1
1 352 . 10 1 1 A 39 39 HIS C C 39 174.100 172.186 1.914 1
1 353 . 10 1 1 A 39 39 HIS CA C 39 57.000 56.118 0.882 1
1 354 . 10 1 1 A 39 39 HIS CB C 39 34.600 32.805 1.795 1
1 355 . 10 1 1 A 39 39 HIS N N 39 125.600 121.219 4.381 1
1 356 . 10 1 1 A 40 40 SER H H 40 6.860 7.941 -1.081 1
1 357 . 10 1 1 A 40 40 SER HA H 40 4.060 4.748 -0.688 1
1 360 . 10 1 1 A 40 40 SER C C 40 174.900 173.188 1.712 1
1 361 . 10 1 1 A 40 40 SER CA C 40 58.800 57.249 1.551 1
1 362 . 10 1 1 A 40 40 SER CB C 40 62.700 63.817 -1.117 1
1 363 . 10 1 1 A 40 40 SER N N 40 118.700 120.662 -1.962 1
1 364 . 10 1 1 A 41 41 SER H H 41 9.140 8.810 0.330 1
1 365 . 10 1 1 A 41 41 SER HA H 41 4.480 4.943 -0.463 1
1 368 . 10 1 1 A 41 41 SER C C 41 173.600 171.663 1.937 1
1 369 . 10 1 1 A 41 41 SER CA C 41 57.800 56.396 1.404 1
1 370 . 10 1 1 A 41 41 SER CB C 41 63.600 65.340 -1.740 1
1 371 . 10 1 1 A 41 41 SER N N 41 122.500 119.182 3.318 1
1 372 . 10 1 1 A 42 42 PRO HA H 42 4.040 4.200 -0.160 1
1 379 . 10 1 1 A 42 42 PRO C C 42 174.900 176.578 -1.678 1
1 380 . 10 1 1 A 42 42 PRO CA C 42 63.700 62.590 1.110 1
1 381 . 10 1 1 A 42 42 PRO CB C 42 31.500 32.195 -0.695 1
1 384 . 10 1 1 A 43 43 TRP H H 43 6.590 7.927 -1.337 1
1 385 . 10 1 1 A 43 43 TRP HA H 43 4.850 4.071 0.779 1
1 394 . 10 1 1 A 43 43 TRP C C 43 174.100 174.980 -0.880 1
1 395 . 10 1 1 A 43 43 TRP CA C 43 57.300 57.687 -0.387 1
1 396 . 10 1 1 A 43 43 TRP CB C 43 29.500 27.649 1.851 1
1 397 . 10 1 1 A 43 43 TRP N N 43 113.900 117.131 -3.231 1
1 399 . 10 1 1 A 44 44 PRO HA H 44 3.810 4.848 -1.038 1
1 405 . 10 1 1 A 44 44 PRO C C 44 174.800 176.153 -1.353 1
1 406 . 10 1 1 A 44 44 PRO CA C 44 63.200 63.001 0.199 1
1 407 . 10 1 1 A 44 44 PRO CB C 44 32.200 32.311 -0.111 1
1 410 . 10 1 1 A 45 45 ALA H H 45 7.850 8.415 -0.565 1
1 411 . 10 1 1 A 45 45 ALA HA H 45 5.260 4.500 0.760 1
1 415 . 10 1 1 A 45 45 ALA C C 45 174.800 175.371 -0.571 1
1 416 . 10 1 1 A 45 45 ALA CA C 45 50.100 50.887 -0.787 1
1 417 . 10 1 1 A 45 45 ALA CB C 45 20.800 23.660 -2.860 1
1 418 . 10 1 1 A 45 45 ALA N N 45 126.700 120.886 5.814 1
1 419 . 10 1 1 A 46 46 PHE H H 46 8.080 7.985 0.095 1
1 420 . 10 1 1 A 46 46 PHE HA H 46 5.860 5.274 0.586 1
1 424 . 10 1 1 A 46 46 PHE C C 46 177.800 175.771 2.029 1
1 425 . 10 1 1 A 46 46 PHE CA C 46 54.800 55.813 -1.013 1
1 426 . 10 1 1 A 46 46 PHE CB C 46 44.500 42.002 2.498 1
1 427 . 10 1 1 A 46 46 PHE N N 46 115.600 115.125 0.475 1
1 428 . 10 1 1 A 47 47 THR H H 47 9.190 8.626 0.564 1
1 429 . 10 1 1 A 47 47 THR HA H 47 5.220 4.289 0.931 1
1 434 . 10 1 1 A 47 47 THR C C 47 175.000 174.881 0.119 1
1 435 . 10 1 1 A 47 47 THR CA C 47 63.000 65.774 -2.774 1
1 436 . 10 1 1 A 47 47 THR CB C 47 70.500 68.568 1.932 1
1 438 . 10 1 1 A 47 47 THR N N 47 109.900 114.777 -4.877 1
1 439 . 10 1 1 A 48 48 GLU H H 48 7.320 7.788 -0.468 1
1 440 . 10 1 1 A 48 48 GLU HA H 48 4.920 4.655 0.265 1
1 445 . 10 1 1 A 48 48 GLU C C 48 175.400 174.007 1.393 1
1 446 . 10 1 1 A 48 48 GLU CA C 48 55.200 54.742 0.458 1
1 447 . 10 1 1 A 48 48 GLU CB C 48 31.900 32.510 -0.610 1
1 449 . 10 1 1 A 48 48 GLU N N 48 115.400 118.488 -3.088 1
1 450 . 10 1 1 A 49 49 THR H H 49 8.150 8.279 -0.129 1
1 451 . 10 1 1 A 49 49 THR HA H 49 4.090 4.365 -0.275 1
1 456 . 10 1 1 A 49 49 THR C C 49 175.800 173.574 2.226 1
1 457 . 10 1 1 A 49 49 THR CA C 49 60.000 59.043 0.957 1
1 458 . 10 1 1 A 49 49 THR CB C 49 70.400 70.687 -0.287 1
1 460 . 10 1 1 A 49 49 THR N N 49 111.400 113.214 -1.814 1
1 461 . 10 1 1 A 50 50 ILE H H 50 7.720 8.477 -0.757 1
1 462 . 10 1 1 A 50 50 ILE HA H 50 3.630 4.198 -0.568 1
1 472 . 10 1 1 A 50 50 ILE C C 50 174.500 176.666 -2.166 1
1 473 . 10 1 1 A 50 50 ILE CA C 50 64.100 60.866 3.234 1
1 474 . 10 1 1 A 50 50 ILE CB C 50 38.700 38.306 0.394 1
1 478 . 10 1 1 A 50 50 ILE N N 50 121.700 122.733 -1.033 1
1 479 . 10 1 1 A 51 51 HIS H H 51 7.400 7.207 0.193 1
1 480 . 10 1 1 A 51 51 HIS HA H 51 5.300 4.641 0.659 1
1 484 . 10 1 1 A 51 51 HIS C C 51 175.500 173.891 1.609 1
1 485 . 10 1 1 A 51 51 HIS CA C 51 51.800 55.452 -3.652 1
1 486 . 10 1 1 A 51 51 HIS CB C 51 29.700 30.446 -0.746 1
1 487 . 10 1 1 A 51 51 HIS N N 51 115.500 124.639 -9.139 1
1 488 . 10 1 1 A 52 52 PRO HA H 52 4.350 4.550 -0.200 1
1 495 . 10 1 1 A 52 52 PRO C C 52 176.900 176.447 0.453 1
1 496 . 10 1 1 A 52 52 PRO CA C 52 64.800 62.353 2.447 1
1 497 . 10 1 1 A 52 52 PRO CB C 52 31.300 33.247 -1.947 1
1 500 . 10 1 1 A 53 53 ASP H H 53 8.070 8.713 -0.643 1
1 501 . 10 1 1 A 53 53 ASP HA H 53 4.760 4.299 0.461 1
1 504 . 10 1 1 A 53 53 ASP C C 53 176.900 177.335 -0.435 1
1 505 . 10 1 1 A 53 53 ASP CA C 53 52.100 55.651 -3.551 1
1 506 . 10 1 1 A 53 53 ASP CB C 53 39.700 39.767 -0.067 1
1 507 . 10 1 1 A 53 53 ASP N N 53 114.300 121.629 -7.329 1
1 508 . 10 1 1 A 54 54 SER H H 54 7.720 7.930 -0.210 1
1 509 . 10 1 1 A 54 54 SER HA H 54 4.040 4.351 -0.311 1
1 512 . 10 1 1 A 54 54 SER C C 54 173.200 174.255 -1.055 1
1 513 . 10 1 1 A 54 54 SER CA C 54 64.100 60.059 4.041 1
1 514 . 10 1 1 A 54 54 SER CB C 54 64.200 63.446 0.754 1
1 515 . 10 1 1 A 54 54 SER N N 54 116.300 114.679 1.621 1
1 516 . 10 1 1 A 55 55 VAL H H 55 7.360 6.998 0.362 1
1 517 . 10 1 1 A 55 55 VAL HA H 55 5.280 4.736 0.544 1
1 525 . 10 1 1 A 55 55 VAL C C 55 175.700 174.189 1.511 1
1 526 . 10 1 1 A 55 55 VAL CA C 55 57.300 59.704 -2.404 1
1 527 . 10 1 1 A 55 55 VAL CB C 55 34.800 34.276 0.524 1
1 530 . 10 1 1 A 55 55 VAL N N 55 105.200 116.614 -11.414 1
1 531 . 10 1 1 A 56 56 THR H H 56 8.780 8.475 0.305 1
1 532 . 10 1 1 A 56 56 THR HA H 56 4.530 5.104 -0.574 1
1 537 . 10 1 1 A 56 56 THR C C 56 173.800 173.018 0.782 1
1 538 . 10 1 1 A 56 56 THR CA C 56 60.500 60.192 0.308 1
1 539 . 10 1 1 A 56 56 THR CB C 56 70.400 71.779 -1.379 1
1 541 . 10 1 1 A 56 56 THR N N 56 116.000 116.256 -0.256 1
1 542 . 10 1 1 A 57 57 LYS H H 57 8.610 8.889 -0.279 1
1 543 . 10 1 1 A 57 57 LYS HA H 57 5.490 5.323 0.167 1
1 550 . 10 1 1 A 57 57 LYS C C 57 176.000 175.117 0.883 1
1 551 . 10 1 1 A 57 57 LYS CA C 57 54.600 54.244 0.356 1
1 552 . 10 1 1 A 57 57 LYS CB C 57 36.000 36.615 -0.615 1
1 556 . 10 1 1 A 57 57 LYS N N 57 121.900 124.473 -2.573 1
1 557 . 10 1 1 A 58 58 CYS H H 58 8.610 8.999 -0.389 1
1 558 . 10 1 1 A 58 58 CYS HA H 58 5.100 5.064 0.036 1
1 561 . 10 1 1 A 58 58 CYS CA C 58 55.200 56.502 -1.302 1
1 562 . 10 1 1 A 58 58 CYS CB C 58 29.700 30.835 -1.135 1
1 563 . 10 1 1 A 58 58 CYS N N 58 120.600 117.648 2.952 1
1 564 . 10 1 1 A 59 59 PRO HA H 59 4.590 4.499 0.091 1
1 571 . 10 1 1 A 59 59 PRO C C 59 176.600 176.751 -0.151 1
1 572 . 10 1 1 A 59 59 PRO CA C 59 63.700 62.345 1.355 1
1 573 . 10 1 1 A 59 59 PRO CB C 59 32.100 31.983 0.117 1
1 576 . 10 1 1 A 60 60 GLU H H 60 8.630 8.043 0.587 1
1 577 . 10 1 1 A 60 60 GLU HA H 60 4.450 4.461 -0.011 1
1 582 . 10 1 1 A 60 60 GLU C C 60 176.900 176.871 0.029 1
1 583 . 10 1 1 A 60 60 GLU CA C 60 55.700 56.496 -0.796 1
1 584 . 10 1 1 A 60 60 GLU CB C 60 30.500 30.447 0.053 1
1 586 . 10 1 1 A 60 60 GLU N N 60 123.900 121.145 2.755 1
1 587 . 10 1 1 A 61 61 LYS H H 61 8.780 8.896 -0.116 1
1 588 . 10 1 1 A 61 61 LYS HA H 61 3.930 4.392 -0.462 1
1 596 . 10 1 1 A 61 61 LYS C C 61 177.100 177.496 -0.396 1
1 597 . 10 1 1 A 61 61 LYS CA C 61 58.300 57.379 0.921 1
1 598 . 10 1 1 A 61 61 LYS CB C 61 31.900 34.047 -2.147 1
1 602 . 10 1 1 A 61 61 LYS N N 61 127.000 123.470 3.530 1
1 603 . 10 1 1 A 62 62 ASN H H 62 8.870 8.306 0.564 1
1 604 . 10 1 1 A 62 62 ASN HA H 62 4.520 4.861 -0.341 1
1 609 . 10 1 1 A 62 62 ASN C C 62 174.400 175.359 -0.959 1
1 610 . 10 1 1 A 62 62 ASN CA C 62 54.000 52.503 1.497 1
1 611 . 10 1 1 A 62 62 ASN CB C 62 38.000 38.751 -0.751 1
1 612 . 10 1 1 A 62 62 ASN N N 62 117.000 113.095 3.905 1
1 613 . 10 1 1 A 63 63 ARG H H 63 7.430 7.712 -0.282 1
1 614 . 10 1 1 A 63 63 ARG HA H 63 4.810 4.794 0.016 1
1 622 . 10 1 1 A 63 63 ARG C C 63 172.300 174.566 -2.266 1
1 623 . 10 1 1 A 63 63 ARG CA C 63 53.800 53.704 0.096 1
1 624 . 10 1 1 A 63 63 ARG CB C 63 31.300 30.956 0.344 1
1 627 . 10 1 1 A 63 63 ARG N N 63 119.200 119.386 -0.186 1
1 629 . 10 1 1 A 64 64 PRO HA H 64 4.350 4.511 -0.161 1
1 636 . 10 1 1 A 64 64 PRO C C 64 176.900 175.977 0.923 1
1 637 . 10 1 1 A 64 64 PRO CA C 64 64.200 63.070 1.130 1
1 638 . 10 1 1 A 64 64 PRO CB C 64 31.800 30.053 1.747 1
1 641 . 10 1 1 A 65 65 GLU H H 65 9.210 8.617 0.593 1
1 642 . 10 1 1 A 65 65 GLU HA H 65 4.280 4.409 -0.129 1
1 647 . 10 1 1 A 65 65 GLU C C 65 174.300 175.012 -0.712 1
1 648 . 10 1 1 A 65 65 GLU CA C 65 56.600 55.932 0.668 1
1 649 . 10 1 1 A 65 65 GLU CB C 65 28.200 31.125 -2.925 1
1 651 . 10 1 1 A 65 65 GLU N N 65 117.000 119.352 -2.352 1
1 652 . 10 1 1 A 66 66 ALA H H 66 8.040 7.131 0.909 1
1 653 . 10 1 1 A 66 66 ALA HA H 66 5.230 4.235 0.995 1
1 657 . 10 1 1 A 66 66 ALA C C 66 174.900 175.124 -0.224 1
1 658 . 10 1 1 A 66 66 ALA CA C 66 50.300 51.411 -1.111 1
1 659 . 10 1 1 A 66 66 ALA CB C 66 22.200 22.398 -0.198 1
1 660 . 10 1 1 A 66 66 ALA N N 66 124.800 120.405 4.395 1
1 661 . 10 1 1 A 67 67 LEU H H 67 8.710 8.468 0.242 1
1 662 . 10 1 1 A 67 67 LEU HA H 67 4.800 5.012 -0.212 1
1 672 . 10 1 1 A 67 67 LEU C C 67 177.200 174.511 2.689 1
1 673 . 10 1 1 A 67 67 LEU CA C 67 52.800 53.704 -0.904 1
1 674 . 10 1 1 A 67 67 LEU CB C 67 43.200 46.707 -3.507 1
1 678 . 10 1 1 A 67 67 LEU N N 67 120.400 120.325 0.075 1
1 679 . 10 1 1 A 68 68 LYS H H 68 9.180 8.875 0.305 1
1 680 . 10 1 1 A 68 68 LYS HA H 68 4.050 4.454 -0.404 1
1 689 . 10 1 1 A 68 68 LYS C C 68 176.900 175.094 1.806 1
1 690 . 10 1 1 A 68 68 LYS CA C 68 57.100 54.364 2.736 1
1 691 . 10 1 1 A 68 68 LYS CB C 68 32.600 34.780 -2.180 1
1 695 . 10 1 1 A 68 68 LYS N N 68 125.300 122.668 2.632 1
1 696 . 10 1 1 A 69 69 VAL H H 69 8.150 8.395 -0.245 1
1 697 . 10 1 1 A 69 69 VAL HA H 69 5.240 4.872 0.368 1
1 705 . 10 1 1 A 69 69 VAL C C 69 174.900 174.613 0.287 1
1 706 . 10 1 1 A 69 69 VAL CA C 69 59.900 61.158 -1.258 1
1 707 . 10 1 1 A 69 69 VAL CB C 69 34.700 33.985 0.715 1
1 710 . 10 1 1 A 69 69 VAL N N 69 121.600 125.006 -3.406 1
1 711 . 10 1 1 A 70 70 SER H H 70 8.610 8.591 0.019 1
1 712 . 10 1 1 A 70 70 SER HA H 70 5.210 5.082 0.128 1
1 715 . 10 1 1 A 70 70 SER C C 70 171.900 172.451 -0.551 1
1 716 . 10 1 1 A 70 70 SER CA C 70 56.600 57.000 -0.400 1
1 717 . 10 1 1 A 70 70 SER CB C 70 65.600 66.170 -0.570 1
1 718 . 10 1 1 A 70 70 SER N N 70 120.600 119.015 1.585 1
1 719 . 10 1 1 A 71 71 CYS H H 71 9.280 8.750 0.530 1
1 720 . 10 1 1 A 71 71 CYS HA H 71 4.130 4.523 -0.393 1
1 723 . 10 1 1 A 71 71 CYS C C 71 178.600 175.174 3.426 1
1 724 . 10 1 1 A 71 71 CYS CA C 71 61.600 58.259 3.341 1
1 725 . 10 1 1 A 71 71 CYS CB C 71 31.300 26.663 4.637 1
1 726 . 10 1 1 A 71 71 CYS N N 71 126.700 121.987 4.713 1
1 727 . 10 1 1 A 72 72 GLY H H 72 9.140 8.388 0.752 1
1 728 . 10 1 1 A 72 72 GLY HA2 H 72 3.760 3.883 -0.123 1
1 729 . 10 1 1 A 72 72 GLY HA3 H 72 3.670 3.893 -0.223 1
1 730 . 10 1 1 A 72 72 GLY C C 72 172.500 175.944 -3.444 1
1 731 . 10 1 1 A 72 72 GLY CA C 72 46.200 47.232 -1.032 1
1 732 . 10 1 1 A 72 72 GLY N N 72 120.100 113.846 6.254 1
1 733 . 10 1 1 A 73 73 LYS H H 73 9.090 8.012 1.078 1
1 734 . 10 1 1 A 73 73 LYS HA H 73 4.210 4.028 0.182 1
1 742 . 10 1 1 A 73 73 LYS C C 73 177.600 178.151 -0.551 1
1 743 . 10 1 1 A 73 73 LYS CA C 73 56.600 59.119 -2.519 1
1 744 . 10 1 1 A 73 73 LYS CB C 73 32.700 32.211 0.489 1
1 748 . 10 1 1 A 73 73 LYS N N 73 124.400 120.967 3.433 1
1 749 . 10 1 1 A 74 74 CYS H H 74 8.590 7.710 0.880 1
1 750 . 10 1 1 A 74 74 CYS HA H 74 4.910 4.631 0.279 1
1 753 . 10 1 1 A 74 74 CYS C C 74 177.400 175.584 1.816 1
1 754 . 10 1 1 A 74 74 CYS CA C 74 58.900 59.000 -0.100 1
1 755 . 10 1 1 A 74 74 CYS CB C 74 33.300 30.416 2.884 1
1 756 . 10 1 1 A 74 74 CYS N N 74 119.700 114.560 5.140 1
1 757 . 10 1 1 A 75 75 GLY H H 75 7.760 9.141 -1.381 1
1 758 . 10 1 1 A 75 75 GLY HA2 H 75 4.210 3.991 0.219 1
1 759 . 10 1 1 A 75 75 GLY HA3 H 75 3.750 3.998 -0.248 1
1 760 . 10 1 1 A 75 75 GLY C C 75 174.000 173.790 0.210 1
1 761 . 10 1 1 A 75 75 GLY CA C 75 46.100 46.542 -0.442 1
1 762 . 10 1 1 A 75 75 GLY N N 75 113.000 111.081 1.919 1
1 763 . 10 1 1 A 76 76 ASN H H 76 9.050 7.603 1.447 1
1 764 . 10 1 1 A 76 76 ASN HA H 76 4.500 5.261 -0.761 1
1 769 . 10 1 1 A 76 76 ASN C C 76 178.700 173.862 4.838 1
1 770 . 10 1 1 A 76 76 ASN CA C 76 54.700 51.281 3.419 1
1 771 . 10 1 1 A 76 76 ASN CB C 76 39.800 40.582 -0.782 1
1 772 . 10 1 1 A 76 76 ASN N N 76 123.700 118.517 5.183 1
1 774 . 10 1 1 A 77 77 GLY H H 77 8.660 8.520 0.140 1
1 775 . 10 1 1 A 77 77 GLY HA2 H 77 3.970 4.304 -0.334 1
1 776 . 10 1 1 A 77 77 GLY HA3 H 77 3.710 4.330 -0.620 1
1 777 . 10 1 1 A 77 77 GLY C C 77 173.800 174.980 -1.180 1
1 778 . 10 1 1 A 77 77 GLY CA C 77 47.300 45.726 1.574 1
1 779 . 10 1 1 A 77 77 GLY N N 77 115.600 109.342 6.258 1
1 780 . 10 1 1 A 78 78 LEU H H 78 8.600 8.383 0.217 1
1 781 . 10 1 1 A 78 78 LEU HA H 78 4.810 4.167 0.643 1
1 791 . 10 1 1 A 78 78 LEU C C 78 173.800 176.588 -2.788 1
1 792 . 10 1 1 A 78 78 LEU CA C 78 54.900 57.894 -2.994 1
1 793 . 10 1 1 A 78 78 LEU CB C 78 45.000 42.006 2.994 1
1 797 . 10 1 1 A 78 78 LEU N N 78 122.700 123.726 -1.026 1
1 798 . 10 1 1 A 79 79 GLY H H 79 7.100 7.446 -0.346 1
1 799 . 10 1 1 A 79 79 GLY HA2 H 79 4.650 3.737 0.913 1
1 800 . 10 1 1 A 79 79 GLY HA3 H 79 3.020 3.961 -0.941 1
1 801 . 10 1 1 A 79 79 GLY C C 79 173.000 171.404 1.596 1
1 802 . 10 1 1 A 79 79 GLY CA C 79 44.900 45.898 -0.998 1
1 803 . 10 1 1 A 79 79 GLY N N 79 102.400 104.712 -2.312 1
1 804 . 10 1 1 A 80 80 HIS H H 80 8.580 8.634 -0.054 1
1 805 . 10 1 1 A 80 80 HIS HA H 80 5.470 5.313 0.157 1
1 810 . 10 1 1 A 80 80 HIS C C 80 172.300 173.501 -1.201 1
1 811 . 10 1 1 A 80 80 HIS CA C 80 55.000 54.381 0.619 1
1 812 . 10 1 1 A 80 80 HIS CB C 80 34.500 34.098 0.402 1
1 813 . 10 1 1 A 80 80 HIS N N 80 122.400 118.827 3.573 1
1 814 . 10 1 1 A 81 81 GLU H H 81 9.260 9.075 0.185 1
1 815 . 10 1 1 A 81 81 GLU HA H 81 4.100 3.982 0.118 1
1 820 . 10 1 1 A 81 81 GLU C C 81 174.300 174.652 -0.352 1
1 821 . 10 1 1 A 81 81 GLU CA C 81 54.700 54.897 -0.197 1
1 822 . 10 1 1 A 81 81 GLU CB C 81 31.600 32.177 -0.577 1
1 824 . 10 1 1 A 81 81 GLU N N 81 123.700 120.616 3.084 1
1 825 . 10 1 1 A 82 82 PHE H H 82 9.150 9.273 -0.123 1
1 826 . 10 1 1 A 82 82 PHE HA H 82 5.080 4.701 0.379 1
1 830 . 10 1 1 A 82 82 PHE C C 82 174.300 174.259 0.041 1
1 831 . 10 1 1 A 82 82 PHE CA C 82 56.700 56.620 0.080 1
1 832 . 10 1 1 A 82 82 PHE CB C 82 38.800 38.633 0.167 1
1 833 . 10 1 1 A 82 82 PHE N N 82 126.900 129.009 -2.109 1
1 834 . 10 1 1 A 83 83 LEU H H 83 8.280 8.221 0.059 1
1 835 . 10 1 1 A 83 83 LEU HA H 83 4.100 4.628 -0.528 1
1 845 . 10 1 1 A 83 83 LEU C C 83 176.200 175.509 0.691 1
1 846 . 10 1 1 A 83 83 LEU CA C 83 55.500 53.126 2.374 1
1 847 . 10 1 1 A 83 83 LEU CB C 83 42.000 45.157 -3.157 1
1 849 . 10 1 1 A 83 83 LEU N N 83 126.900 127.616 -0.716 1
1 850 . 10 1 1 A 84 84 ASN H H 84 9.260 8.733 0.527 1
1 851 . 10 1 1 A 84 84 ASN HA H 84 4.290 4.349 -0.059 1
1 856 . 10 1 1 A 84 84 ASN C C 84 174.400 174.260 0.140 1
1 857 . 10 1 1 A 84 84 ASN CA C 84 54.800 54.853 -0.053 1
1 858 . 10 1 1 A 84 84 ASN CB C 84 37.900 36.952 0.948 1
1 859 . 10 1 1 A 84 84 ASN N N 84 116.900 116.743 0.157 1
1 861 . 10 1 1 A 85 85 ASP H H 85 7.140 7.913 -0.773 1
1 862 . 10 1 1 A 85 85 ASP HA H 85 5.200 4.897 0.303 1
1 865 . 10 1 1 A 85 85 ASP C C 85 176.000 176.480 -0.480 1
1 866 . 10 1 1 A 85 85 ASP CA C 85 53.800 54.891 -1.091 1
1 867 . 10 1 1 A 85 85 ASP CB C 85 45.500 43.115 2.385 1
1 868 . 10 1 1 A 85 85 ASP N N 85 117.200 118.005 -0.805 1
1 869 . 10 1 1 A 86 86 GLY H H 86 8.230 7.994 0.236 1
1 870 . 10 1 1 A 86 86 GLY HA2 H 86 4.140 4.476 -0.336 1
1 871 . 10 1 1 A 86 86 GLY HA3 H 86 3.280 4.490 -1.210 1
1 872 . 10 1 1 A 86 86 GLY C C 86 171.700 173.941 -2.241 1
1 873 . 10 1 1 A 86 86 GLY CA C 86 44.600 46.672 -2.072 1
1 874 . 10 1 1 A 86 86 GLY N N 86 107.600 106.609 0.991 1
1 875 . 10 1 1 A 87 87 PRO HA H 87 4.190 4.357 -0.167 1
1 882 . 10 1 1 A 87 87 PRO C C 87 177.000 178.383 -1.383 1
1 883 . 10 1 1 A 87 87 PRO CA C 87 65.200 64.641 0.559 1
1 884 . 10 1 1 A 87 87 PRO CB C 87 31.700 32.135 -0.435 1
1 887 . 10 1 1 A 88 88 LYS H H 88 7.310 8.182 -0.872 1
1 888 . 10 1 1 A 88 88 LYS HA H 88 4.480 4.288 0.192 1
1 897 . 10 1 1 A 88 88 LYS C C 88 175.700 177.498 -1.798 1
1 898 . 10 1 1 A 88 88 LYS CA C 88 53.700 58.903 -5.203 1
1 899 . 10 1 1 A 88 88 LYS CB C 88 34.900 32.651 2.249 1
1 903 . 10 1 1 A 88 88 LYS N N 88 116.200 116.725 -0.525 1
1 904 . 10 1 1 A 89 89 ARG H H 89 8.320 7.723 0.597 1
1 905 . 10 1 1 A 89 89 ARG HA H 89 4.010 4.392 -0.382 1
1 912 . 10 1 1 A 89 89 ARG C C 89 177.500 177.577 -0.077 1
1 913 . 10 1 1 A 89 89 ARG CA C 89 57.900 56.745 1.155 1
1 914 . 10 1 1 A 89 89 ARG CB C 89 32.100 31.017 1.083 1
1 917 . 10 1 1 A 89 89 ARG N N 89 122.200 119.418 2.782 1
1 919 . 10 1 1 A 90 90 GLY H H 90 8.950 8.603 0.347 1
1 920 . 10 1 1 A 90 90 GLY HA2 H 90 4.240 3.990 0.250 1
1 921 . 10 1 1 A 90 90 GLY HA3 H 90 3.850 3.994 -0.144 1
1 922 . 10 1 1 A 90 90 GLY C C 90 175.000 174.248 0.752 1
1 923 . 10 1 1 A 90 90 GLY CA C 90 45.100 45.303 -0.203 1
1 924 . 10 1 1 A 90 90 GLY N N 90 115.100 111.702 3.398 1
1 925 . 10 1 1 A 91 91 GLN H H 91 8.120 7.746 0.374 1
1 926 . 10 1 1 A 91 91 GLN HA H 91 4.580 4.346 0.234 1
1 933 . 10 1 1 A 91 91 GLN C C 91 177.000 175.368 1.632 1
1 934 . 10 1 1 A 91 91 GLN CA C 91 55.900 56.927 -1.027 1
1 935 . 10 1 1 A 91 91 GLN CB C 91 31.000 29.691 1.309 1
1 937 . 10 1 1 A 91 91 GLN N N 91 120.900 120.668 0.232 1
1 938 . 10 1 1 A 92 92 SER H H 92 9.210 8.912 0.298 1
1 939 . 10 1 1 A 92 92 SER HA H 92 4.820 5.247 -0.427 1
1 942 . 10 1 1 A 92 92 SER C C 92 171.600 172.721 -1.121 1
1 943 . 10 1 1 A 92 92 SER CA C 92 57.700 57.839 -0.139 1
1 944 . 10 1 1 A 92 92 SER CB C 92 65.200 65.865 -0.665 1
1 945 . 10 1 1 A 92 92 SER N N 92 120.900 114.583 6.317 1
1 946 . 10 1 1 A 93 93 ARG H H 93 7.820 9.118 -1.298 1
1 947 . 10 1 1 A 93 93 ARG HA H 93 4.950 5.082 -0.132 1
1 952 . 10 1 1 A 93 93 ARG C C 93 176.400 174.433 1.967 1
1 953 . 10 1 1 A 93 93 ARG CA C 93 55.200 55.017 0.183 1
1 954 . 10 1 1 A 93 93 ARG CB C 93 34.600 32.093 2.507 1
1 957 . 10 1 1 A 93 93 ARG N N 93 117.800 126.513 -8.713 1
1 958 . 10 1 1 A 94 94 PHE H H 94 9.860 8.577 1.283 1
1 959 . 10 1 1 A 94 94 PHE HA H 94 4.780 5.173 -0.393 1
1 962 . 10 1 1 A 94 94 PHE C C 94 176.400 173.534 2.866 1
1 963 . 10 1 1 A 94 94 PHE CA C 94 58.300 55.676 2.624 1
1 964 . 10 1 1 A 94 94 PHE CB C 94 38.500 40.823 -2.323 1
1 965 . 10 1 1 A 94 94 PHE N N 94 127.100 124.324 2.776 1
1 966 . 10 1 1 A 95 95 CYS H H 95 9.190 8.752 0.438 1
1 967 . 10 1 1 A 95 95 CYS HA H 95 4.810 4.266 0.544 1
1 970 . 10 1 1 A 95 95 CYS CA C 95 57.300 59.295 -1.995 1
1 971 . 10 1 1 A 95 95 CYS CB C 95 28.700 28.130 0.570 1
1 972 . 10 1 1 A 95 95 CYS N N 95 128.200 126.678 1.522 1
1 973 . 10 1 1 A 96 96 ILE H H 96 7.510 8.379 -0.869 1
1 974 . 10 1 1 A 96 96 ILE HA H 96 4.620 4.719 -0.099 1
1 983 . 10 1 1 A 96 96 ILE C C 96 173.700 173.372 0.328 1
1 984 . 10 1 1 A 96 96 ILE CA C 96 55.800 58.834 -3.034 1
1 985 . 10 1 1 A 96 96 ILE CB C 96 39.900 41.871 -1.971 1
1 989 . 10 1 1 A 96 96 ILE N N 96 130.700 123.660 7.040 1
1 990 . 10 1 1 A 97 97 PHE H H 97 8.040 8.606 -0.566 1
1 991 . 10 1 1 A 97 97 PHE HA H 97 4.920 5.018 -0.098 1
1 994 . 10 1 1 A 97 97 PHE C C 97 178.800 176.302 2.498 1
1 995 . 10 1 1 A 97 97 PHE CA C 97 57.500 57.461 0.039 1
1 996 . 10 1 1 A 97 97 PHE CB C 97 38.400 40.813 -2.413 1
1 997 . 10 1 1 A 97 97 PHE N N 97 122.400 128.011 -5.611 1
1 998 . 10 1 1 A 98 98 SER HA H 98 4.380 4.470 -0.090 1
1 1001 . 10 1 1 A 98 98 SER C C 98 176.400 175.834 0.566 1
1 1002 . 10 1 1 A 98 98 SER CA C 98 64.900 60.620 4.280 1
1 1003 . 10 1 1 A 98 98 SER CB C 98 63.600 63.526 0.074 1
1 1004 . 10 1 1 A 99 99 SER H H 99 9.360 8.036 1.324 1
1 1005 . 10 1 1 A 99 99 SER HA H 99 4.300 4.414 -0.114 1
1 1008 . 10 1 1 A 99 99 SER C C 99 175.800 175.970 -0.170 1
1 1009 . 10 1 1 A 99 99 SER CA C 99 60.200 60.073 0.127 1
1 1010 . 10 1 1 A 99 99 SER CB C 99 62.700 62.695 0.005 1
1 1011 . 10 1 1 A 99 99 SER N N 99 114.100 117.265 -3.165 1
1 1012 . 10 1 1 A 100 100 SER H H 100 8.150 7.997 0.153 1
1 1013 . 10 1 1 A 100 100 SER HA H 100 4.630 4.599 0.031 1
1 1016 . 10 1 1 A 100 100 SER C C 100 173.500 174.167 -0.667 1
1 1017 . 10 1 1 A 100 100 SER CA C 100 60.400 60.879 -0.479 1
1 1018 . 10 1 1 A 100 100 SER CB C 100 63.600 64.504 -0.904 1
1 1019 . 10 1 1 A 100 100 SER N N 100 118.700 115.063 3.637 1
1 1020 . 10 1 1 A 101 101 LEU H H 101 8.100 7.881 0.219 1
1 1021 . 10 1 1 A 101 101 LEU HA H 101 5.570 5.028 0.542 1
1 1031 . 10 1 1 A 101 101 LEU C C 101 176.000 175.454 0.546 1
1 1032 . 10 1 1 A 101 101 LEU CA C 101 53.400 52.768 0.632 1
1 1033 . 10 1 1 A 101 101 LEU CB C 101 46.700 45.726 0.974 1
1 1036 . 10 1 1 A 101 101 LEU N N 101 122.000 116.370 5.630 1
1 1037 . 10 1 1 A 102 102 LYS H H 102 8.950 8.265 0.685 1
1 1038 . 10 1 1 A 102 102 LYS HA H 102 4.710 5.091 -0.381 1
1 1045 . 10 1 1 A 102 102 LYS C C 102 174.400 174.708 -0.308 1
1 1046 . 10 1 1 A 102 102 LYS CA C 102 55.400 54.292 1.108 1
1 1047 . 10 1 1 A 102 102 LYS CB C 102 36.500 36.158 0.342 1
1 1051 . 10 1 1 A 102 102 LYS N N 102 119.500 117.211 2.289 1
1 1052 . 10 1 1 A 103 103 PHE H H 103 9.010 8.976 0.034 1
1 1053 . 10 1 1 A 103 103 PHE HA H 103 4.750 5.341 -0.591 1
1 1056 . 10 1 1 A 103 103 PHE C C 103 173.900 173.532 0.368 1
1 1057 . 10 1 1 A 103 103 PHE CA C 103 57.100 55.643 1.457 1
1 1058 . 10 1 1 A 103 103 PHE CB C 103 41.300 42.153 -0.853 1
1 1059 . 10 1 1 A 103 103 PHE N N 103 124.500 123.100 1.400 1
1 1060 . 10 1 1 A 104 104 VAL H H 104 8.550 8.538 0.012 1
1 1061 . 10 1 1 A 104 104 VAL HA H 104 4.140 4.555 -0.415 1
1 1069 . 10 1 1 A 104 104 VAL C C 104 172.800 173.563 -0.763 1
1 1070 . 10 1 1 A 104 104 VAL CA C 104 58.800 58.585 0.215 1
1 1071 . 10 1 1 A 104 104 VAL CB C 104 32.300 33.015 -0.715 1
1 1074 . 10 1 1 A 104 104 VAL N N 104 132.000 128.369 3.631 1
1 1075 . 10 1 1 A 105 105 PRO HA H 105 4.110 4.489 -0.379 1
1 1082 . 10 1 1 A 105 105 PRO C C 105 176.400 176.773 -0.373 1
1 1083 . 10 1 1 A 105 105 PRO CA C 105 62.400 62.414 -0.014 1
1 1084 . 10 1 1 A 105 105 PRO CB C 105 32.400 31.917 0.483 1
1 1087 . 10 1 1 A 106 106 LYS H H 106 7.900 8.090 -0.190 1
1 1088 . 10 1 1 A 106 106 LYS HA H 106 4.170 4.459 -0.289 1
1 1096 . 10 1 1 A 106 106 LYS C C 106 176.900 176.054 0.846 1
1 1097 . 10 1 1 A 106 106 LYS CA C 106 56.700 56.329 0.371 1
1 1098 . 10 1 1 A 106 106 LYS CB C 106 33.500 33.895 -0.395 1
1 1102 . 10 1 1 A 106 106 LYS N N 106 123.200 121.746 1.454 1
1 1103 . 10 1 1 A 107 107 GLY H H 107 8.740 8.396 0.344 1
1 1104 . 10 1 1 A 107 107 GLY HA2 H 107 3.930 4.231 -0.301 1
1 1105 . 10 1 1 A 107 107 GLY HA3 H 107 3.960 4.332 -0.372 1
1 1106 . 10 1 1 A 107 107 GLY C C 107 174.000 174.873 -0.873 1
1 1107 . 10 1 1 A 107 107 GLY CA C 107 45.000 45.868 -0.868 1
1 1108 . 10 1 1 A 107 107 GLY N N 107 113.500 108.845 4.655 1
1 1109 . 10 1 1 A 108 108 LYS H H 108 8.240 8.380 -0.140 1
1 1110 . 10 1 1 A 108 108 LYS HA H 108 4.290 4.084 0.206 1
1 1118 . 10 1 1 A 108 108 LYS C C 108 176.700 178.731 -2.031 1
1 1119 . 10 1 1 A 108 108 LYS CA C 108 56.000 58.916 -2.916 1
1 1120 . 10 1 1 A 108 108 LYS CB C 108 32.700 32.537 0.163 1
1 1124 . 10 1 1 A 108 108 LYS N N 108 121.500 120.123 1.377 1
1 1125 . 10 1 1 A 109 109 GLU H H 109 8.650 7.984 0.666 1
1 1126 . 10 1 1 A 109 109 GLU HA H 109 4.180 4.056 0.124 1
1 1131 . 10 1 1 A 109 109 GLU C C 109 176.500 176.239 0.261 1
1 1132 . 10 1 1 A 109 109 GLU CA C 109 56.600 59.378 -2.778 1
1 1133 . 10 1 1 A 109 109 GLU CB C 109 29.900 29.348 0.552 1
1 1135 . 10 1 1 A 109 109 GLU N N 109 122.800 119.383 3.417 1
1 1136 . 10 1 1 A 110 110 ALA H H 110 8.400 7.748 0.652 1
1 1137 . 10 1 1 A 110 110 ALA HA H 110 4.190 3.892 0.298 1
1 1141 . 10 1 1 A 110 110 ALA CA C 110 52.500 54.678 -2.178 1
1 1142 . 10 1 1 A 110 110 ALA CB C 110 19.000 18.059 0.941 1
1 1143 . 10 1 1 A 110 110 ALA N N 110 126.100 121.169 4.931 1
1 1144 . 10 1 1 A 111 111 ALA H H 111 8.240 8.327 -0.087 1
1 1145 . 10 1 1 A 111 111 ALA HA H 111 4.220 3.889 0.331 1
1 1149 . 10 1 1 A 111 111 ALA C C 111 177.800 176.848 0.952 1
1 1150 . 10 1 1 A 111 111 ALA CA C 111 52.600 54.742 -2.142 1
1 1151 . 10 1 1 A 111 111 ALA CB C 111 19.000 18.028 0.972 1
1 1152 . 10 1 1 A 111 111 ALA N N 111 123.800 119.243 4.557 1
1 1153 . 10 1 1 A 112 112 ALA H H 112 8.220 8.490 -0.270 1
1 1154 . 10 1 1 A 112 112 ALA HA H 112 4.250 3.955 0.295 1
1 1158 . 10 1 1 A 112 112 ALA C C 112 178.100 176.148 1.952 1
1 1159 . 10 1 1 A 112 112 ALA CA C 112 52.600 52.971 -0.371 1
1 1160 . 10 1 1 A 112 112 ALA CB C 112 19.100 17.541 1.559 1
1 1161 . 10 1 1 A 112 112 ALA N N 112 123.600 119.240 4.360 1
1 1162 . 10 1 1 A 113 113 SER H H 113 8.200 7.511 0.689 1
1 1163 . 10 1 1 A 113 113 SER HA H 113 4.360 4.854 -0.494 1
1 1166 . 10 1 1 A 113 113 SER C C 113 174.800 172.394 2.406 1
1 1167 . 10 1 1 A 113 113 SER CA C 113 58.300 57.190 1.110 1
1 1168 . 10 1 1 A 113 113 SER CB C 113 63.500 65.395 -1.895 1
1 1169 . 10 1 1 A 113 113 SER N N 113 115.400 108.723 6.677 1
1 1170 . 10 1 1 A 114 114 GLN H H 114 8.320 8.378 -0.058 1
1 1171 . 10 1 1 A 114 114 GLN HA H 114 4.290 4.734 -0.444 1
1 1178 . 10 1 1 A 114 114 GLN C C 114 176.500 175.492 1.008 1
1 1179 . 10 1 1 A 114 114 GLN CA C 114 55.900 54.749 1.151 1
1 1180 . 10 1 1 A 114 114 GLN CB C 114 29.300 31.471 -2.171 1
1 1182 . 10 1 1 A 114 114 GLN N N 114 122.500 121.258 1.242 1
1 1183 . 10 1 1 A 115 115 GLY H H 115 8.370 8.614 -0.244 1
1 1184 . 10 1 1 A 115 115 GLY HA2 H 115 3.850 4.116 -0.266 1
1 1185 . 10 1 1 A 115 115 GLY HA3 H 115 3.850 4.177 -0.327 1
1 1186 . 10 1 1 A 115 115 GLY C C 115 173.900 172.705 1.195 1
1 1187 . 10 1 1 A 115 115 GLY CA C 115 45.400 45.053 0.347 1
1 1188 . 10 1 1 A 115 115 GLY N N 115 110.000 108.422 1.578 1
1 1189 . 10 1 1 A 116 116 HIS H H 116 8.290 8.416 -0.126 1
1 1190 . 10 1 1 A 116 116 HIS HA H 116 4.620 5.011 -0.391 1
1 1195 . 10 1 1 A 116 116 HIS C C 116 174.600 172.408 2.192 1
1 1196 . 10 1 1 A 116 116 HIS CA C 116 55.500 55.050 0.450 1
1 1197 . 10 1 1 A 116 116 HIS CB C 116 29.100 31.382 -2.282 1
1 1198 . 10 1 1 A 116 116 HIS N N 116 119.100 120.195 -1.095 1
1 1199 . 10 1 1 A 117 117 LEU H H 117 8.220 8.472 -0.252 1
1 1200 . 10 1 1 A 117 117 LEU HA H 117 4.240 4.545 -0.305 1
1 1210 . 10 1 1 A 117 117 LEU C C 117 174.600 176.026 -1.426 1
1 1211 . 10 1 1 A 117 117 LEU CA C 117 55.100 54.297 0.803 1
1 1212 . 10 1 1 A 117 117 LEU CB C 117 42.300 43.035 -0.735 1
1 1216 . 10 1 1 A 117 117 LEU N N 117 124.100 123.053 1.047 1
1 1217 . 10 1 1 A 118 118 GLU H H 118 8.350 8.770 -0.420 1
1 1218 . 10 1 1 A 118 118 GLU HA H 118 4.160 5.001 -0.841 1
1 1223 . 10 1 1 A 118 118 GLU C C 118 176.000 174.660 1.340 1
1 1224 . 10 1 1 A 118 118 GLU CA C 118 56.300 55.141 1.159 1
1 1225 . 10 1 1 A 118 118 GLU CB C 118 30.300 32.874 -2.574 1
1 1227 . 10 1 1 A 118 118 GLU N N 118 122.300 118.249 4.051 1
1 1228 . 10 1 1 A 119 119 HIS H H 119 8.410 8.418 -0.008 1
1 1229 . 10 1 1 A 119 119 HIS HA H 119 4.570 5.395 -0.825 1
1 1232 . 10 1 1 A 119 119 HIS C C 119 174.500 173.496 1.004 1
1 1233 . 10 1 1 A 119 119 HIS CA C 119 55.400 54.057 1.343 1
1 1234 . 10 1 1 A 119 119 HIS CB C 119 29.400 32.830 -3.430 1
1 1235 . 10 1 1 A 119 119 HIS N N 119 120.500 118.432 2.068 1
1 1236 . 10 1 1 A 120 120 HIS H H 120 8.530 9.115 -0.585 1
1 1237 . 10 1 1 A 120 120 HIS HA H 120 4.640 4.966 -0.326 1
1 1240 . 10 1 1 A 120 120 HIS C C 120 174.400 174.614 -0.214 1
1 1241 . 10 1 1 A 120 120 HIS CA C 120 57.900 55.010 2.890 1
1 1242 . 10 1 1 A 120 120 HIS CB C 120 29.400 32.243 -2.843 1
1 1 . 11 1 1 A 3 3 PHE HA H 3 4.650 4.173 0.477 1
1 4 . 11 1 1 A 3 3 PHE C C 3 174.500 175.806 -1.306 1
1 5 . 11 1 1 A 3 3 PHE CA C 3 57.800 58.940 -1.140 1
1 6 . 11 1 1 A 3 3 PHE CB C 3 39.600 37.694 1.906 1
1 7 . 11 1 1 A 4 4 CYS H H 4 8.270 8.202 0.068 1
1 8 . 11 1 1 A 4 4 CYS HA H 4 4.380 4.209 0.171 1
1 11 . 11 1 1 A 4 4 CYS C C 4 173.800 174.657 -0.857 1
1 12 . 11 1 1 A 4 4 CYS CA C 4 58.100 60.719 -2.619 1
1 13 . 11 1 1 A 4 4 CYS CB C 4 28.100 28.235 -0.135 1
1 14 . 11 1 1 A 4 4 CYS N N 4 122.600 126.601 -4.001 1
1 15 . 11 1 1 A 5 5 SER H H 5 8.250 7.692 0.558 1
1 16 . 11 1 1 A 5 5 SER HA H 5 4.270 4.012 0.258 1
1 19 . 11 1 1 A 5 5 SER C C 5 173.700 172.938 0.762 1
1 20 . 11 1 1 A 5 5 SER CA C 5 58.300 59.037 -0.737 1
1 21 . 11 1 1 A 5 5 SER CB C 5 63.700 61.783 1.917 1
1 22 . 11 1 1 A 5 5 SER N N 5 119.600 115.510 4.090 1
1 23 . 11 1 1 A 6 6 PHE H H 6 8.010 8.417 -0.407 1
1 24 . 11 1 1 A 6 6 PHE HA H 6 4.560 5.172 -0.612 1
1 28 . 11 1 1 A 6 6 PHE C C 6 173.700 174.815 -1.115 1
1 29 . 11 1 1 A 6 6 PHE CA C 6 57.600 56.267 1.333 1
1 30 . 11 1 1 A 6 6 PHE CB C 6 39.700 44.114 -4.414 1
1 31 . 11 1 1 A 6 6 PHE N N 6 122.500 127.478 -4.978 1
1 32 . 11 1 1 A 7 7 PHE H H 7 8.230 8.629 -0.399 1
1 33 . 11 1 1 A 7 7 PHE HA H 7 4.530 4.859 -0.329 1
1 36 . 11 1 1 A 7 7 PHE C C 7 175.800 174.084 1.716 1
1 37 . 11 1 1 A 7 7 PHE CA C 7 57.600 57.658 -0.058 1
1 38 . 11 1 1 A 7 7 PHE CB C 7 39.700 40.430 -0.730 1
1 39 . 11 1 1 A 7 7 PHE N N 7 123.000 122.566 0.434 1
1 40 . 11 1 1 A 8 8 GLY H H 8 7.870 8.077 -0.207 1
1 41 . 11 1 1 A 8 8 GLY HA2 H 8 3.800 3.896 -0.096 1
1 42 . 11 1 1 A 8 8 GLY HA3 H 8 3.750 3.991 -0.241 1
1 43 . 11 1 1 A 8 8 GLY C C 8 174.300 175.366 -1.066 1
1 44 . 11 1 1 A 8 8 GLY CA C 8 45.300 46.495 -1.195 1
1 45 . 11 1 1 A 8 8 GLY N N 8 111.200 110.598 0.602 1
1 46 . 11 1 1 A 9 9 GLY H H 9 7.930 7.794 0.136 1
1 47 . 11 1 1 A 9 9 GLY HA2 H 9 3.920 4.115 -0.195 1
1 48 . 11 1 1 A 9 9 GLY HA3 H 9 3.850 4.122 -0.272 1
1 49 . 11 1 1 A 9 9 GLY C C 9 175.200 173.409 1.791 1
1 50 . 11 1 1 A 9 9 GLY CA C 9 45.100 44.619 0.481 1
1 51 . 11 1 1 A 9 9 GLY N N 9 108.400 108.813 -0.413 1
1 52 . 11 1 1 A 10 10 GLU H H 10 8.400 8.100 0.300 1
1 53 . 11 1 1 A 10 10 GLU HA H 10 4.360 4.899 -0.539 1
1 58 . 11 1 1 A 10 10 GLU C C 10 178.400 174.247 4.153 1
1 59 . 11 1 1 A 10 10 GLU CA C 10 54.700 56.199 -1.499 1
1 60 . 11 1 1 A 10 10 GLU CB C 10 36.700 33.338 3.362 1
1 62 . 11 1 1 A 10 10 GLU N N 10 122.600 120.167 2.433 1
1 63 . 11 1 1 A 11 11 VAL H H 11 7.940 8.757 -0.817 1
1 64 . 11 1 1 A 11 11 VAL HA H 11 3.680 4.688 -1.008 1
1 72 . 11 1 1 A 11 11 VAL C C 11 176.600 176.615 -0.015 1
1 73 . 11 1 1 A 11 11 VAL CA C 11 63.800 61.334 2.466 1
1 74 . 11 1 1 A 11 11 VAL CB C 11 31.200 33.481 -2.281 1
1 77 . 11 1 1 A 11 11 VAL N N 11 120.300 122.737 -2.437 1
1 78 . 11 1 1 A 12 12 PHE H H 12 7.730 7.922 -0.192 1
1 79 . 11 1 1 A 12 12 PHE HA H 12 5.200 4.636 0.564 1
1 83 . 11 1 1 A 12 12 PHE C C 12 177.100 176.504 0.596 1
1 84 . 11 1 1 A 12 12 PHE CA C 12 55.700 59.192 -3.492 1
1 85 . 11 1 1 A 12 12 PHE CB C 12 38.200 39.041 -0.841 1
1 86 . 11 1 1 A 12 12 PHE N N 12 113.700 123.680 -9.980 1
1 87 . 11 1 1 A 13 13 GLN H H 13 8.080 8.573 -0.493 1
1 88 . 11 1 1 A 13 13 GLN HA H 13 3.270 4.123 -0.853 1
1 95 . 11 1 1 A 13 13 GLN C C 13 175.400 176.444 -1.044 1
1 96 . 11 1 1 A 13 13 GLN CA C 13 62.100 58.569 3.531 1
1 97 . 11 1 1 A 13 13 GLN CB C 13 27.100 28.245 -1.145 1
1 99 . 11 1 1 A 13 13 GLN N N 13 126.400 118.240 8.160 1
1 100 . 11 1 1 A 14 14 ASN H H 14 8.580 8.353 0.227 1
1 101 . 11 1 1 A 14 14 ASN HA H 14 5.010 5.035 -0.025 1
1 106 . 11 1 1 A 14 14 ASN C C 14 173.000 174.243 -1.243 1
1 107 . 11 1 1 A 14 14 ASN CA C 14 51.500 54.546 -3.046 1
1 108 . 11 1 1 A 14 14 ASN CB C 14 37.900 41.463 -3.563 1
1 109 . 11 1 1 A 14 14 ASN N N 14 115.900 117.017 -1.117 1
1 111 . 11 1 1 A 15 15 HIS H H 15 6.070 7.842 -1.772 1
1 112 . 11 1 1 A 15 15 HIS HA H 15 4.370 4.678 -0.308 1
1 117 . 11 1 1 A 15 15 HIS C C 15 174.400 176.083 -1.683 1
1 118 . 11 1 1 A 15 15 HIS CA C 15 56.600 55.353 1.247 1
1 119 . 11 1 1 A 15 15 HIS CB C 15 33.400 30.314 3.086 1
1 120 . 11 1 1 A 15 15 HIS N N 15 120.500 117.374 3.126 1
1 121 . 11 1 1 A 16 16 PHE H H 16 8.880 8.343 0.537 1
1 122 . 11 1 1 A 16 16 PHE HA H 16 4.870 2.589 2.281 1
1 125 . 11 1 1 A 16 16 PHE C C 16 174.300 174.777 -0.477 1
1 126 . 11 1 1 A 16 16 PHE CA C 16 57.100 58.087 -0.987 1
1 127 . 11 1 1 A 16 16 PHE CB C 16 39.700 38.222 1.478 1
1 128 . 11 1 1 A 16 16 PHE N N 16 127.200 121.971 5.229 1
1 129 . 11 1 1 A 17 17 GLU H H 17 5.780 7.531 -1.751 1
1 130 . 11 1 1 A 17 17 GLU HA H 17 4.500 4.701 -0.201 1
1 135 . 11 1 1 A 17 17 GLU C C 17 174.300 174.203 0.097 1
1 136 . 11 1 1 A 17 17 GLU CA C 17 53.500 53.688 -0.188 1
1 137 . 11 1 1 A 17 17 GLU CB C 17 30.700 31.528 -0.828 1
1 139 . 11 1 1 A 17 17 GLU N N 17 119.900 115.961 3.939 1
1 140 . 11 1 1 A 18 18 PRO HA H 18 4.630 4.352 0.278 1
1 147 . 11 1 1 A 18 18 PRO C C 18 178.100 177.388 0.712 1
1 148 . 11 1 1 A 18 18 PRO CA C 18 62.700 63.640 -0.940 1
1 149 . 11 1 1 A 18 18 PRO CB C 18 31.400 31.634 -0.234 1
1 152 . 11 1 1 A 19 19 GLY H H 19 8.820 8.817 0.003 1
1 153 . 11 1 1 A 19 19 GLY HA2 H 19 4.500 4.021 0.479 1
1 154 . 11 1 1 A 19 19 GLY HA3 H 19 3.630 4.173 -0.543 1
1 155 . 11 1 1 A 19 19 GLY C C 19 171.000 172.539 -1.539 1
1 156 . 11 1 1 A 19 19 GLY CA C 19 46.200 45.196 1.004 1
1 157 . 11 1 1 A 19 19 GLY N N 19 111.300 111.308 -0.008 1
1 158 . 11 1 1 A 20 20 VAL H H 20 8.070 8.610 -0.540 1
1 159 . 11 1 1 A 20 20 VAL HA H 20 4.750 4.611 0.139 1
1 167 . 11 1 1 A 20 20 VAL C C 20 172.300 173.127 -0.827 1
1 168 . 11 1 1 A 20 20 VAL CA C 20 60.200 59.028 1.172 1
1 169 . 11 1 1 A 20 20 VAL CB C 20 36.100 35.144 0.956 1
1 172 . 11 1 1 A 20 20 VAL N N 20 120.700 119.005 1.695 1
1 173 . 11 1 1 A 21 21 TYR H H 21 9.560 8.337 1.223 1
1 174 . 11 1 1 A 21 21 TYR HA H 21 5.230 5.201 0.029 1
1 177 . 11 1 1 A 21 21 TYR C C 21 175.600 174.828 0.772 1
1 178 . 11 1 1 A 21 21 TYR CA C 21 56.800 55.603 1.197 1
1 179 . 11 1 1 A 21 21 TYR CB C 21 39.200 41.353 -2.153 1
1 180 . 11 1 1 A 21 21 TYR N N 21 123.200 121.604 1.596 1
1 181 . 11 1 1 A 22 22 VAL H H 22 9.400 8.784 0.616 1
1 182 . 11 1 1 A 22 22 VAL HA H 22 4.950 4.947 0.003 1
1 190 . 11 1 1 A 22 22 VAL C C 22 174.000 174.335 -0.335 1
1 191 . 11 1 1 A 22 22 VAL CA C 22 57.100 59.183 -2.083 1
1 192 . 11 1 1 A 22 22 VAL CB C 22 33.900 36.024 -2.124 1
1 195 . 11 1 1 A 22 22 VAL N N 22 119.100 115.175 3.925 1
1 196 . 11 1 1 A 23 23 CYS H H 23 9.020 8.678 0.342 1
1 197 . 11 1 1 A 23 23 CYS HA H 23 4.260 4.619 -0.359 1
1 200 . 11 1 1 A 23 23 CYS C C 23 178.700 176.009 2.691 1
1 201 . 11 1 1 A 23 23 CYS CA C 23 60.600 59.546 1.054 1
1 202 . 11 1 1 A 23 23 CYS CB C 23 31.700 28.692 3.008 1
1 203 . 11 1 1 A 23 23 CYS N N 23 123.800 122.246 1.554 1
1 204 . 11 1 1 A 24 24 ALA H H 24 8.760 8.766 -0.006 1
1 205 . 11 1 1 A 24 24 ALA HA H 24 3.840 4.128 -0.288 1
1 209 . 11 1 1 A 24 24 ALA C C 24 177.500 180.010 -2.510 1
1 210 . 11 1 1 A 24 24 ALA CA C 24 55.000 55.415 -0.415 1
1 211 . 11 1 1 A 24 24 ALA CB C 24 18.700 18.636 0.064 1
1 212 . 11 1 1 A 24 24 ALA N N 24 131.900 129.258 2.642 1
1 213 . 11 1 1 A 25 25 LYS H H 25 9.200 8.157 1.043 1
1 214 . 11 1 1 A 25 25 LYS HA H 25 4.380 4.178 0.202 1
1 222 . 11 1 1 A 25 25 LYS C C 25 178.100 178.628 -0.528 1
1 223 . 11 1 1 A 25 25 LYS CA C 25 57.900 58.972 -1.072 1
1 224 . 11 1 1 A 25 25 LYS CB C 25 33.500 32.942 0.558 1
1 228 . 11 1 1 A 25 25 LYS N N 25 120.000 117.412 2.588 1
1 229 . 11 1 1 A 26 26 CYS H H 26 8.730 8.043 0.687 1
1 230 . 11 1 1 A 26 26 CYS HA H 26 5.000 4.212 0.788 1
1 233 . 11 1 1 A 26 26 CYS C C 26 177.000 175.240 1.760 1
1 234 . 11 1 1 A 26 26 CYS CA C 26 59.400 62.480 -3.080 1
1 235 . 11 1 1 A 26 26 CYS CB C 26 32.900 27.561 5.339 1
1 236 . 11 1 1 A 26 26 CYS N N 26 120.900 118.775 2.125 1
1 237 . 11 1 1 A 27 27 SER H H 27 8.170 8.183 -0.013 1
1 238 . 11 1 1 A 27 27 SER HA H 27 4.140 4.428 -0.288 1
1 241 . 11 1 1 A 27 27 SER C C 27 174.800 173.842 0.958 1
1 242 . 11 1 1 A 27 27 SER CA C 27 60.900 59.442 1.458 1
1 243 . 11 1 1 A 27 27 SER CB C 27 61.600 61.081 0.519 1
1 244 . 11 1 1 A 27 27 SER N N 27 115.800 115.400 0.400 1
1 245 . 11 1 1 A 28 28 TYR H H 28 9.010 7.973 1.037 1
1 246 . 11 1 1 A 28 28 TYR HA H 28 4.420 4.566 -0.146 1
1 249 . 11 1 1 A 28 28 TYR C C 28 176.600 175.292 1.308 1
1 250 . 11 1 1 A 28 28 TYR CA C 28 59.300 57.610 1.690 1
1 251 . 11 1 1 A 28 28 TYR CB C 28 39.600 38.566 1.034 1
1 252 . 11 1 1 A 28 28 TYR N N 28 127.100 123.154 3.946 1
1 253 . 11 1 1 A 29 29 GLU H H 29 7.730 8.622 -0.892 1
1 254 . 11 1 1 A 29 29 GLU HA H 29 3.670 4.492 -0.822 1
1 259 . 11 1 1 A 29 29 GLU C C 29 174.900 176.585 -1.685 1
1 260 . 11 1 1 A 29 29 GLU CA C 29 58.700 56.886 1.814 1
1 261 . 11 1 1 A 29 29 GLU CB C 29 29.800 29.980 -0.180 1
1 263 . 11 1 1 A 29 29 GLU N N 29 124.500 126.700 -2.200 1
1 264 . 11 1 1 A 30 30 LEU H H 30 7.940 8.951 -1.011 1
1 265 . 11 1 1 A 30 30 LEU HA H 30 4.140 4.991 -0.851 1
1 274 . 11 1 1 A 30 30 LEU C C 30 175.400 175.493 -0.093 1
1 275 . 11 1 1 A 30 30 LEU CA C 30 56.200 53.476 2.724 1
1 276 . 11 1 1 A 30 30 LEU CB C 30 46.700 45.449 1.251 1
1 277 . 11 1 1 A 30 30 LEU N N 30 121.800 121.207 0.593 1
1 278 . 11 1 1 A 31 31 PHE H H 31 7.880 8.658 -0.778 1
1 279 . 11 1 1 A 31 31 PHE HA H 31 4.720 4.803 -0.083 1
1 282 . 11 1 1 A 31 31 PHE C C 31 174.600 173.014 1.586 1
1 283 . 11 1 1 A 31 31 PHE CA C 31 56.600 57.981 -1.381 1
1 284 . 11 1 1 A 31 31 PHE CB C 31 45.300 42.201 3.099 1
1 285 . 11 1 1 A 31 31 PHE N N 31 113.300 122.225 -8.925 1
1 286 . 11 1 1 A 32 32 SER H H 32 10.030 7.534 2.496 1
1 287 . 11 1 1 A 32 32 SER HA H 32 4.860 4.823 0.037 1
1 290 . 11 1 1 A 32 32 SER CA C 32 57.000 55.907 1.093 1
1 291 . 11 1 1 A 32 32 SER CB C 32 63.700 66.600 -2.900 1
1 292 . 11 1 1 A 32 32 SER N N 32 118.700 121.868 -3.168 1
1 293 . 11 1 1 A 33 33 SER H H 33 8.990 8.625 0.365 1
1 294 . 11 1 1 A 33 33 SER HA H 33 4.840 4.208 0.632 1
1 297 . 11 1 1 A 33 33 SER C C 33 177.300 175.040 2.260 1
1 298 . 11 1 1 A 33 33 SER CA C 33 63.700 59.951 3.749 1
1 299 . 11 1 1 A 33 33 SER CB C 33 63.700 63.097 0.603 1
1 300 . 11 1 1 A 33 33 SER N N 33 123.100 118.064 5.036 1
1 301 . 11 1 1 A 34 34 HIS HA H 34 4.710 4.048 0.662 1
1 304 . 11 1 1 A 34 34 HIS C C 34 175.800 176.563 -0.763 1
1 305 . 11 1 1 A 34 34 HIS CA C 34 57.900 58.173 -0.273 1
1 306 . 11 1 1 A 34 34 HIS CB C 34 28.600 29.496 -0.896 1
1 307 . 11 1 1 A 35 35 SER H H 35 7.960 7.387 0.573 1
1 308 . 11 1 1 A 35 35 SER HA H 35 4.820 4.076 0.744 1
1 311 . 11 1 1 A 35 35 SER C C 35 173.200 174.072 -0.872 1
1 312 . 11 1 1 A 35 35 SER CA C 35 58.100 60.167 -2.067 1
1 313 . 11 1 1 A 35 35 SER CB C 35 65.300 62.833 2.467 1
1 314 . 11 1 1 A 35 35 SER N N 35 114.500 113.129 1.371 1
1 315 . 11 1 1 A 36 36 LYS H H 36 7.630 7.330 0.300 1
1 316 . 11 1 1 A 36 36 LYS HA H 36 4.890 4.912 -0.022 1
1 322 . 11 1 1 A 36 36 LYS C C 36 176.100 174.019 2.081 1
1 323 . 11 1 1 A 36 36 LYS CA C 36 55.400 54.228 1.172 1
1 324 . 11 1 1 A 36 36 LYS CB C 36 35.400 35.959 -0.559 1
1 328 . 11 1 1 A 36 36 LYS N N 36 126.900 117.640 9.260 1
1 329 . 11 1 1 A 37 37 TYR H H 37 8.440 8.908 -0.468 1
1 330 . 11 1 1 A 37 37 TYR HA H 37 5.100 5.117 -0.017 1
1 333 . 11 1 1 A 37 37 TYR C C 37 172.800 175.349 -2.549 1
1 334 . 11 1 1 A 37 37 TYR CA C 37 55.400 56.689 -1.289 1
1 335 . 11 1 1 A 37 37 TYR CB C 37 41.000 43.233 -2.233 1
1 336 . 11 1 1 A 37 37 TYR N N 37 124.200 118.645 5.555 1
1 337 . 11 1 1 A 38 38 ALA H H 38 8.590 8.527 0.063 1
1 338 . 11 1 1 A 38 38 ALA HA H 38 4.630 4.692 -0.062 1
1 342 . 11 1 1 A 38 38 ALA C C 38 175.900 177.194 -1.294 1
1 343 . 11 1 1 A 38 38 ALA CA C 38 52.500 52.730 -0.230 1
1 344 . 11 1 1 A 38 38 ALA CB C 38 18.300 19.460 -1.160 1
1 345 . 11 1 1 A 38 38 ALA N N 38 125.100 125.234 -0.134 1
1 346 . 11 1 1 A 39 39 HIS H H 39 8.080 8.705 -0.625 1
1 347 . 11 1 1 A 39 39 HIS HA H 39 4.620 5.020 -0.400 1
1 352 . 11 1 1 A 39 39 HIS C C 39 174.100 172.456 1.644 1
1 353 . 11 1 1 A 39 39 HIS CA C 39 57.000 55.992 1.008 1
1 354 . 11 1 1 A 39 39 HIS CB C 39 34.600 33.732 0.868 1
1 355 . 11 1 1 A 39 39 HIS N N 39 125.600 121.656 3.944 1
1 356 . 11 1 1 A 40 40 SER H H 40 6.860 8.384 -1.524 1
1 357 . 11 1 1 A 40 40 SER HA H 40 4.060 4.865 -0.805 1
1 360 . 11 1 1 A 40 40 SER C C 40 174.900 173.297 1.603 1
1 361 . 11 1 1 A 40 40 SER CA C 40 58.800 57.420 1.380 1
1 362 . 11 1 1 A 40 40 SER CB C 40 62.700 63.929 -1.229 1
1 363 . 11 1 1 A 40 40 SER N N 40 118.700 122.288 -3.588 1
1 364 . 11 1 1 A 41 41 SER H H 41 9.140 8.789 0.351 1
1 365 . 11 1 1 A 41 41 SER HA H 41 4.480 4.766 -0.286 1
1 368 . 11 1 1 A 41 41 SER C C 41 173.600 171.389 2.211 1
1 369 . 11 1 1 A 41 41 SER CA C 41 57.800 56.735 1.065 1
1 370 . 11 1 1 A 41 41 SER CB C 41 63.600 66.028 -2.428 1
1 371 . 11 1 1 A 41 41 SER N N 41 122.500 120.643 1.857 1
1 372 . 11 1 1 A 42 42 PRO HA H 42 4.040 4.102 -0.062 1
1 379 . 11 1 1 A 42 42 PRO C C 42 174.900 176.615 -1.715 1
1 380 . 11 1 1 A 42 42 PRO CA C 42 63.700 63.121 0.579 1
1 381 . 11 1 1 A 42 42 PRO CB C 42 31.500 31.819 -0.319 1
1 384 . 11 1 1 A 43 43 TRP H H 43 6.590 7.872 -1.282 1
1 385 . 11 1 1 A 43 43 TRP HA H 43 4.850 4.084 0.766 1
1 394 . 11 1 1 A 43 43 TRP C C 43 174.100 174.969 -0.869 1
1 395 . 11 1 1 A 43 43 TRP CA C 43 57.300 57.644 -0.344 1
1 396 . 11 1 1 A 43 43 TRP CB C 43 29.500 27.412 2.088 1
1 397 . 11 1 1 A 43 43 TRP N N 43 113.900 117.444 -3.544 1
1 399 . 11 1 1 A 44 44 PRO HA H 44 3.810 4.696 -0.886 1
1 405 . 11 1 1 A 44 44 PRO C C 44 174.800 175.474 -0.674 1
1 406 . 11 1 1 A 44 44 PRO CA C 44 63.200 62.611 0.589 1
1 407 . 11 1 1 A 44 44 PRO CB C 44 32.200 33.122 -0.922 1
1 410 . 11 1 1 A 45 45 ALA H H 45 7.850 8.419 -0.569 1
1 411 . 11 1 1 A 45 45 ALA HA H 45 5.260 4.457 0.803 1
1 415 . 11 1 1 A 45 45 ALA C C 45 174.800 175.206 -0.406 1
1 416 . 11 1 1 A 45 45 ALA CA C 45 50.100 51.188 -1.088 1
1 417 . 11 1 1 A 45 45 ALA CB C 45 20.800 22.966 -2.166 1
1 418 . 11 1 1 A 45 45 ALA N N 45 126.700 119.796 6.904 1
1 419 . 11 1 1 A 46 46 PHE H H 46 8.080 8.181 -0.101 1
1 420 . 11 1 1 A 46 46 PHE HA H 46 5.860 5.000 0.860 1
1 424 . 11 1 1 A 46 46 PHE C C 46 177.800 176.399 1.401 1
1 425 . 11 1 1 A 46 46 PHE CA C 46 54.800 56.663 -1.863 1
1 426 . 11 1 1 A 46 46 PHE CB C 46 44.500 42.052 2.448 1
1 427 . 11 1 1 A 46 46 PHE N N 46 115.600 116.377 -0.777 1
1 428 . 11 1 1 A 47 47 THR H H 47 9.190 8.513 0.677 1
1 429 . 11 1 1 A 47 47 THR HA H 47 5.220 4.331 0.889 1
1 434 . 11 1 1 A 47 47 THR C C 47 175.000 174.825 0.175 1
1 435 . 11 1 1 A 47 47 THR CA C 47 63.000 66.173 -3.173 1
1 436 . 11 1 1 A 47 47 THR CB C 47 70.500 68.626 1.874 1
1 438 . 11 1 1 A 47 47 THR N N 47 109.900 117.179 -7.279 1
1 439 . 11 1 1 A 48 48 GLU H H 48 7.320 7.504 -0.184 1
1 440 . 11 1 1 A 48 48 GLU HA H 48 4.920 4.917 0.003 1
1 445 . 11 1 1 A 48 48 GLU C C 48 175.400 174.235 1.165 1
1 446 . 11 1 1 A 48 48 GLU CA C 48 55.200 54.373 0.827 1
1 447 . 11 1 1 A 48 48 GLU CB C 48 31.900 32.054 -0.154 1
1 449 . 11 1 1 A 48 48 GLU N N 48 115.400 118.460 -3.060 1
1 450 . 11 1 1 A 49 49 THR H H 49 8.150 8.093 0.057 1
1 451 . 11 1 1 A 49 49 THR HA H 49 4.090 4.957 -0.867 1
1 456 . 11 1 1 A 49 49 THR C C 49 175.800 175.132 0.668 1
1 457 . 11 1 1 A 49 49 THR CA C 49 60.000 60.183 -0.183 1
1 458 . 11 1 1 A 49 49 THR CB C 49 70.400 70.981 -0.581 1
1 460 . 11 1 1 A 49 49 THR N N 49 111.400 108.029 3.371 1
1 461 . 11 1 1 A 50 50 ILE H H 50 7.720 8.476 -0.756 1
1 462 . 11 1 1 A 50 50 ILE HA H 50 3.630 4.046 -0.416 1
1 472 . 11 1 1 A 50 50 ILE C C 50 174.500 176.548 -2.048 1
1 473 . 11 1 1 A 50 50 ILE CA C 50 64.100 62.491 1.609 1
1 474 . 11 1 1 A 50 50 ILE CB C 50 38.700 37.840 0.860 1
1 478 . 11 1 1 A 50 50 ILE N N 50 121.700 123.523 -1.823 1
1 479 . 11 1 1 A 51 51 HIS H H 51 7.400 7.569 -0.169 1
1 480 . 11 1 1 A 51 51 HIS HA H 51 5.300 4.671 0.629 1
1 484 . 11 1 1 A 51 51 HIS C C 51 175.500 173.345 2.155 1
1 485 . 11 1 1 A 51 51 HIS CA C 51 51.800 55.108 -3.308 1
1 486 . 11 1 1 A 51 51 HIS CB C 51 29.700 29.069 0.631 1
1 487 . 11 1 1 A 51 51 HIS N N 51 115.500 122.004 -6.504 1
1 488 . 11 1 1 A 52 52 PRO HA H 52 4.350 4.480 -0.130 1
1 495 . 11 1 1 A 52 52 PRO C C 52 176.900 176.226 0.674 1
1 496 . 11 1 1 A 52 52 PRO CA C 52 64.800 62.765 2.035 1
1 497 . 11 1 1 A 52 52 PRO CB C 52 31.300 33.151 -1.851 1
1 500 . 11 1 1 A 53 53 ASP H H 53 8.070 8.687 -0.617 1
1 501 . 11 1 1 A 53 53 ASP HA H 53 4.760 4.414 0.346 1
1 504 . 11 1 1 A 53 53 ASP C C 53 176.900 177.290 -0.390 1
1 505 . 11 1 1 A 53 53 ASP CA C 53 52.100 55.169 -3.069 1
1 506 . 11 1 1 A 53 53 ASP CB C 53 39.700 39.809 -0.109 1
1 507 . 11 1 1 A 53 53 ASP N N 53 114.300 121.846 -7.546 1
1 508 . 11 1 1 A 54 54 SER H H 54 7.720 7.953 -0.233 1
1 509 . 11 1 1 A 54 54 SER HA H 54 4.040 4.432 -0.392 1
1 512 . 11 1 1 A 54 54 SER C C 54 173.200 174.313 -1.113 1
1 513 . 11 1 1 A 54 54 SER CA C 54 64.100 60.093 4.007 1
1 514 . 11 1 1 A 54 54 SER CB C 54 64.200 63.605 0.595 1
1 515 . 11 1 1 A 54 54 SER N N 54 116.300 114.563 1.737 1
1 516 . 11 1 1 A 55 55 VAL H H 55 7.360 7.513 -0.153 1
1 517 . 11 1 1 A 55 55 VAL HA H 55 5.280 4.213 1.067 1
1 525 . 11 1 1 A 55 55 VAL C C 55 175.700 175.170 0.530 1
1 526 . 11 1 1 A 55 55 VAL CA C 55 57.300 61.281 -3.981 1
1 527 . 11 1 1 A 55 55 VAL CB C 55 34.800 33.402 1.398 1
1 530 . 11 1 1 A 55 55 VAL N N 55 105.200 119.248 -14.048 1
1 531 . 11 1 1 A 56 56 THR H H 56 8.780 8.354 0.426 1
1 532 . 11 1 1 A 56 56 THR HA H 56 4.530 5.121 -0.591 1
1 537 . 11 1 1 A 56 56 THR C C 56 173.800 172.866 0.934 1
1 538 . 11 1 1 A 56 56 THR CA C 56 60.500 59.962 0.538 1
1 539 . 11 1 1 A 56 56 THR CB C 56 70.400 71.842 -1.442 1
1 541 . 11 1 1 A 56 56 THR N N 56 116.000 116.603 -0.603 1
1 542 . 11 1 1 A 57 57 LYS H H 57 8.610 8.913 -0.303 1
1 543 . 11 1 1 A 57 57 LYS HA H 57 5.490 5.237 0.253 1
1 550 . 11 1 1 A 57 57 LYS C C 57 176.000 174.690 1.310 1
1 551 . 11 1 1 A 57 57 LYS CA C 57 54.600 54.117 0.483 1
1 552 . 11 1 1 A 57 57 LYS CB C 57 36.000 37.015 -1.015 1
1 556 . 11 1 1 A 57 57 LYS N N 57 121.900 124.504 -2.604 1
1 557 . 11 1 1 A 58 58 CYS H H 58 8.610 9.059 -0.449 1
1 558 . 11 1 1 A 58 58 CYS HA H 58 5.100 5.037 0.063 1
1 561 . 11 1 1 A 58 58 CYS CA C 58 55.200 56.471 -1.271 1
1 562 . 11 1 1 A 58 58 CYS CB C 58 29.700 30.759 -1.059 1
1 563 . 11 1 1 A 58 58 CYS N N 58 120.600 117.541 3.059 1
1 564 . 11 1 1 A 59 59 PRO HA H 59 4.590 4.456 0.134 1
1 571 . 11 1 1 A 59 59 PRO C C 59 176.600 176.821 -0.221 1
1 572 . 11 1 1 A 59 59 PRO CA C 59 63.700 62.306 1.394 1
1 573 . 11 1 1 A 59 59 PRO CB C 59 32.100 31.974 0.126 1
1 576 . 11 1 1 A 60 60 GLU H H 60 8.630 8.160 0.470 1
1 577 . 11 1 1 A 60 60 GLU HA H 60 4.450 4.413 0.037 1
1 582 . 11 1 1 A 60 60 GLU C C 60 176.900 177.284 -0.384 1
1 583 . 11 1 1 A 60 60 GLU CA C 60 55.700 56.382 -0.682 1
1 584 . 11 1 1 A 60 60 GLU CB C 60 30.500 30.290 0.210 1
1 586 . 11 1 1 A 60 60 GLU N N 60 123.900 121.304 2.596 1
1 587 . 11 1 1 A 61 61 LYS H H 61 8.780 8.501 0.279 1
1 588 . 11 1 1 A 61 61 LYS HA H 61 3.930 4.529 -0.599 1
1 596 . 11 1 1 A 61 61 LYS C C 61 177.100 177.245 -0.145 1
1 597 . 11 1 1 A 61 61 LYS CA C 61 58.300 57.236 1.064 1
1 598 . 11 1 1 A 61 61 LYS CB C 61 31.900 33.995 -2.095 1
1 602 . 11 1 1 A 61 61 LYS N N 61 127.000 120.102 6.898 1
1 603 . 11 1 1 A 62 62 ASN H H 62 8.870 8.150 0.720 1
1 604 . 11 1 1 A 62 62 ASN HA H 62 4.520 4.731 -0.211 1
1 609 . 11 1 1 A 62 62 ASN C C 62 174.400 175.162 -0.762 1
1 610 . 11 1 1 A 62 62 ASN CA C 62 54.000 52.737 1.263 1
1 611 . 11 1 1 A 62 62 ASN CB C 62 38.000 37.827 0.173 1
1 612 . 11 1 1 A 62 62 ASN N N 62 117.000 115.457 1.543 1
1 613 . 11 1 1 A 63 63 ARG H H 63 7.430 7.660 -0.230 1
1 614 . 11 1 1 A 63 63 ARG HA H 63 4.810 4.776 0.034 1
1 622 . 11 1 1 A 63 63 ARG C C 63 172.300 174.243 -1.943 1
1 623 . 11 1 1 A 63 63 ARG CA C 63 53.800 53.686 0.114 1
1 624 . 11 1 1 A 63 63 ARG CB C 63 31.300 30.860 0.440 1
1 627 . 11 1 1 A 63 63 ARG N N 63 119.200 119.570 -0.370 1
1 629 . 11 1 1 A 64 64 PRO HA H 64 4.350 4.531 -0.181 1
1 636 . 11 1 1 A 64 64 PRO C C 64 176.900 176.290 0.610 1
1 637 . 11 1 1 A 64 64 PRO CA C 64 64.200 62.858 1.342 1
1 638 . 11 1 1 A 64 64 PRO CB C 64 31.800 29.754 2.046 1
1 641 . 11 1 1 A 65 65 GLU H H 65 9.210 8.734 0.476 1
1 642 . 11 1 1 A 65 65 GLU HA H 65 4.280 4.528 -0.248 1
1 647 . 11 1 1 A 65 65 GLU C C 65 174.300 175.385 -1.085 1
1 648 . 11 1 1 A 65 65 GLU CA C 65 56.600 55.893 0.707 1
1 649 . 11 1 1 A 65 65 GLU CB C 65 28.200 30.784 -2.584 1
1 651 . 11 1 1 A 65 65 GLU N N 65 117.000 117.543 -0.543 1
1 652 . 11 1 1 A 66 66 ALA H H 66 8.040 7.116 0.924 1
1 653 . 11 1 1 A 66 66 ALA HA H 66 5.230 4.063 1.167 1
1 657 . 11 1 1 A 66 66 ALA C C 66 174.900 174.873 0.027 1
1 658 . 11 1 1 A 66 66 ALA CA C 66 50.300 51.039 -0.739 1
1 659 . 11 1 1 A 66 66 ALA CB C 66 22.200 21.777 0.423 1
1 660 . 11 1 1 A 66 66 ALA N N 66 124.800 120.999 3.801 1
1 661 . 11 1 1 A 67 67 LEU H H 67 8.710 8.378 0.332 1
1 662 . 11 1 1 A 67 67 LEU HA H 67 4.800 4.890 -0.090 1
1 672 . 11 1 1 A 67 67 LEU C C 67 177.200 175.854 1.346 1
1 673 . 11 1 1 A 67 67 LEU CA C 67 52.800 53.531 -0.731 1
1 674 . 11 1 1 A 67 67 LEU CB C 67 43.200 45.653 -2.453 1
1 678 . 11 1 1 A 67 67 LEU N N 67 120.400 118.484 1.916 1
1 679 . 11 1 1 A 68 68 LYS H H 68 9.180 8.903 0.277 1
1 680 . 11 1 1 A 68 68 LYS HA H 68 4.050 4.306 -0.256 1
1 689 . 11 1 1 A 68 68 LYS C C 68 176.900 175.030 1.870 1
1 690 . 11 1 1 A 68 68 LYS CA C 68 57.100 54.127 2.973 1
1 691 . 11 1 1 A 68 68 LYS CB C 68 32.600 35.044 -2.444 1
1 695 . 11 1 1 A 68 68 LYS N N 68 125.300 119.185 6.115 1
1 696 . 11 1 1 A 69 69 VAL H H 69 8.150 8.877 -0.727 1
1 697 . 11 1 1 A 69 69 VAL HA H 69 5.240 4.812 0.428 1
1 705 . 11 1 1 A 69 69 VAL C C 69 174.900 174.564 0.336 1
1 706 . 11 1 1 A 69 69 VAL CA C 69 59.900 60.962 -1.062 1
1 707 . 11 1 1 A 69 69 VAL CB C 69 34.700 33.935 0.765 1
1 710 . 11 1 1 A 69 69 VAL N N 69 121.600 124.346 -2.746 1
1 711 . 11 1 1 A 70 70 SER H H 70 8.610 8.889 -0.279 1
1 712 . 11 1 1 A 70 70 SER HA H 70 5.210 5.057 0.153 1
1 715 . 11 1 1 A 70 70 SER C C 70 171.900 172.586 -0.686 1
1 716 . 11 1 1 A 70 70 SER CA C 70 56.600 56.760 -0.160 1
1 717 . 11 1 1 A 70 70 SER CB C 70 65.600 66.124 -0.524 1
1 718 . 11 1 1 A 70 70 SER N N 70 120.600 119.486 1.114 1
1 719 . 11 1 1 A 71 71 CYS H H 71 9.280 8.493 0.787 1
1 720 . 11 1 1 A 71 71 CYS HA H 71 4.130 4.642 -0.512 1
1 723 . 11 1 1 A 71 71 CYS C C 71 178.600 175.315 3.285 1
1 724 . 11 1 1 A 71 71 CYS CA C 71 61.600 58.205 3.395 1
1 725 . 11 1 1 A 71 71 CYS CB C 71 31.300 26.790 4.510 1
1 726 . 11 1 1 A 71 71 CYS N N 71 126.700 122.181 4.519 1
1 727 . 11 1 1 A 72 72 GLY H H 72 9.140 8.254 0.886 1
1 728 . 11 1 1 A 72 72 GLY HA2 H 72 3.760 3.878 -0.118 1
1 729 . 11 1 1 A 72 72 GLY HA3 H 72 3.670 3.880 -0.210 1
1 730 . 11 1 1 A 72 72 GLY C C 72 172.500 176.021 -3.521 1
1 731 . 11 1 1 A 72 72 GLY CA C 72 46.200 47.232 -1.032 1
1 732 . 11 1 1 A 72 72 GLY N N 72 120.100 113.747 6.353 1
1 733 . 11 1 1 A 73 73 LYS H H 73 9.090 8.037 1.053 1
1 734 . 11 1 1 A 73 73 LYS HA H 73 4.210 4.056 0.154 1
1 742 . 11 1 1 A 73 73 LYS C C 73 177.600 178.293 -0.693 1
1 743 . 11 1 1 A 73 73 LYS CA C 73 56.600 59.112 -2.512 1
1 744 . 11 1 1 A 73 73 LYS CB C 73 32.700 32.109 0.591 1
1 748 . 11 1 1 A 73 73 LYS N N 73 124.400 120.928 3.472 1
1 749 . 11 1 1 A 74 74 CYS H H 74 8.590 7.652 0.938 1
1 750 . 11 1 1 A 74 74 CYS HA H 74 4.910 4.580 0.330 1
1 753 . 11 1 1 A 74 74 CYS C C 74 177.400 175.485 1.915 1
1 754 . 11 1 1 A 74 74 CYS CA C 74 58.900 58.866 0.034 1
1 755 . 11 1 1 A 74 74 CYS CB C 74 33.300 29.521 3.779 1
1 756 . 11 1 1 A 74 74 CYS N N 74 119.700 114.563 5.137 1
1 757 . 11 1 1 A 75 75 GLY H H 75 7.760 8.638 -0.878 1
1 758 . 11 1 1 A 75 75 GLY HA2 H 75 4.210 3.970 0.240 1
1 759 . 11 1 1 A 75 75 GLY HA3 H 75 3.750 3.971 -0.221 1
1 760 . 11 1 1 A 75 75 GLY C C 75 174.000 174.136 -0.136 1
1 761 . 11 1 1 A 75 75 GLY CA C 75 46.100 46.533 -0.433 1
1 762 . 11 1 1 A 75 75 GLY N N 75 113.000 111.180 1.820 1
1 763 . 11 1 1 A 76 76 ASN H H 76 9.050 7.875 1.175 1
1 764 . 11 1 1 A 76 76 ASN HA H 76 4.500 5.094 -0.594 1
1 769 . 11 1 1 A 76 76 ASN C C 76 178.700 174.292 4.408 1
1 770 . 11 1 1 A 76 76 ASN CA C 76 54.700 51.533 3.167 1
1 771 . 11 1 1 A 76 76 ASN CB C 76 39.800 40.614 -0.814 1
1 772 . 11 1 1 A 76 76 ASN N N 76 123.700 118.836 4.864 1
1 774 . 11 1 1 A 77 77 GLY H H 77 8.660 8.486 0.174 1
1 775 . 11 1 1 A 77 77 GLY HA2 H 77 3.970 4.164 -0.194 1
1 776 . 11 1 1 A 77 77 GLY HA3 H 77 3.710 4.170 -0.460 1
1 777 . 11 1 1 A 77 77 GLY C C 77 173.800 174.324 -0.524 1
1 778 . 11 1 1 A 77 77 GLY CA C 77 47.300 45.582 1.718 1
1 779 . 11 1 1 A 77 77 GLY N N 77 115.600 108.142 7.458 1
1 780 . 11 1 1 A 78 78 LEU H H 78 8.600 8.426 0.174 1
1 781 . 11 1 1 A 78 78 LEU HA H 78 4.810 4.481 0.329 1
1 791 . 11 1 1 A 78 78 LEU C C 78 173.800 176.603 -2.803 1
1 792 . 11 1 1 A 78 78 LEU CA C 78 54.900 53.949 0.951 1
1 793 . 11 1 1 A 78 78 LEU CB C 78 45.000 43.662 1.338 1
1 797 . 11 1 1 A 78 78 LEU N N 78 122.700 119.212 3.488 1
1 798 . 11 1 1 A 79 79 GLY H H 79 7.100 7.493 -0.393 1
1 799 . 11 1 1 A 79 79 GLY HA2 H 79 4.650 4.187 0.463 1
1 800 . 11 1 1 A 79 79 GLY HA3 H 79 3.020 4.258 -1.238 1
1 801 . 11 1 1 A 79 79 GLY C C 79 173.000 173.137 -0.137 1
1 802 . 11 1 1 A 79 79 GLY CA C 79 44.900 44.114 0.786 1
1 803 . 11 1 1 A 79 79 GLY N N 79 102.400 107.877 -5.477 1
1 804 . 11 1 1 A 80 80 HIS H H 80 8.580 9.044 -0.464 1
1 805 . 11 1 1 A 80 80 HIS HA H 80 5.470 5.335 0.135 1
1 810 . 11 1 1 A 80 80 HIS C C 80 172.300 173.715 -1.415 1
1 811 . 11 1 1 A 80 80 HIS CA C 80 55.000 54.530 0.470 1
1 812 . 11 1 1 A 80 80 HIS CB C 80 34.500 34.726 -0.226 1
1 813 . 11 1 1 A 80 80 HIS N N 80 122.400 119.071 3.329 1
1 814 . 11 1 1 A 81 81 GLU H H 81 9.260 9.041 0.219 1
1 815 . 11 1 1 A 81 81 GLU HA H 81 4.100 4.400 -0.300 1
1 820 . 11 1 1 A 81 81 GLU C C 81 174.300 175.071 -0.771 1
1 821 . 11 1 1 A 81 81 GLU CA C 81 54.700 55.341 -0.641 1
1 822 . 11 1 1 A 81 81 GLU CB C 81 31.600 31.612 -0.012 1
1 824 . 11 1 1 A 81 81 GLU N N 81 123.700 120.922 2.778 1
1 825 . 11 1 1 A 82 82 PHE H H 82 9.150 8.749 0.401 1
1 826 . 11 1 1 A 82 82 PHE HA H 82 5.080 4.676 0.404 1
1 830 . 11 1 1 A 82 82 PHE C C 82 174.300 175.333 -1.033 1
1 831 . 11 1 1 A 82 82 PHE CA C 82 56.700 58.853 -2.153 1
1 832 . 11 1 1 A 82 82 PHE CB C 82 38.800 39.543 -0.743 1
1 833 . 11 1 1 A 82 82 PHE N N 82 126.900 127.203 -0.303 1
1 834 . 11 1 1 A 83 83 LEU H H 83 8.280 8.669 -0.389 1
1 835 . 11 1 1 A 83 83 LEU HA H 83 4.100 4.665 -0.565 1
1 845 . 11 1 1 A 83 83 LEU C C 83 176.200 175.235 0.965 1
1 846 . 11 1 1 A 83 83 LEU CA C 83 55.500 53.739 1.761 1
1 847 . 11 1 1 A 83 83 LEU CB C 83 42.000 44.847 -2.847 1
1 849 . 11 1 1 A 83 83 LEU N N 83 126.900 123.704 3.196 1
1 850 . 11 1 1 A 84 84 ASN H H 84 9.260 8.796 0.464 1
1 851 . 11 1 1 A 84 84 ASN HA H 84 4.290 4.363 -0.073 1
1 856 . 11 1 1 A 84 84 ASN C C 84 174.400 174.359 0.041 1
1 857 . 11 1 1 A 84 84 ASN CA C 84 54.800 54.934 -0.134 1
1 858 . 11 1 1 A 84 84 ASN CB C 84 37.900 37.136 0.764 1
1 859 . 11 1 1 A 84 84 ASN N N 84 116.900 119.990 -3.090 1
1 861 . 11 1 1 A 85 85 ASP H H 85 7.140 8.079 -0.939 1
1 862 . 11 1 1 A 85 85 ASP HA H 85 5.200 4.983 0.217 1
1 865 . 11 1 1 A 85 85 ASP C C 85 176.000 175.897 0.103 1
1 866 . 11 1 1 A 85 85 ASP CA C 85 53.800 55.068 -1.268 1
1 867 . 11 1 1 A 85 85 ASP CB C 85 45.500 43.524 1.976 1
1 868 . 11 1 1 A 85 85 ASP N N 85 117.200 118.143 -0.943 1
1 869 . 11 1 1 A 86 86 GLY H H 86 8.230 8.125 0.105 1
1 870 . 11 1 1 A 86 86 GLY HA2 H 86 4.140 4.521 -0.381 1
1 871 . 11 1 1 A 86 86 GLY HA3 H 86 3.280 4.526 -1.246 1
1 872 . 11 1 1 A 86 86 GLY C C 86 171.700 173.487 -1.787 1
1 873 . 11 1 1 A 86 86 GLY CA C 86 44.600 45.641 -1.041 1
1 874 . 11 1 1 A 86 86 GLY N N 86 107.600 106.600 1.000 1
1 875 . 11 1 1 A 87 87 PRO HA H 87 4.190 4.449 -0.259 1
1 882 . 11 1 1 A 87 87 PRO C C 87 177.000 176.226 0.774 1
1 883 . 11 1 1 A 87 87 PRO CA C 87 65.200 64.211 0.989 1
1 884 . 11 1 1 A 87 87 PRO CB C 87 31.700 31.893 -0.193 1
1 887 . 11 1 1 A 88 88 LYS H H 88 7.310 7.754 -0.444 1
1 888 . 11 1 1 A 88 88 LYS HA H 88 4.480 4.609 -0.129 1
1 897 . 11 1 1 A 88 88 LYS C C 88 175.700 176.062 -0.362 1
1 898 . 11 1 1 A 88 88 LYS CA C 88 53.700 54.973 -1.273 1
1 899 . 11 1 1 A 88 88 LYS CB C 88 34.900 34.306 0.594 1
1 903 . 11 1 1 A 88 88 LYS N N 88 116.200 118.436 -2.236 1
1 904 . 11 1 1 A 89 89 ARG H H 89 8.320 8.508 -0.188 1
1 905 . 11 1 1 A 89 89 ARG HA H 89 4.010 3.848 0.162 1
1 912 . 11 1 1 A 89 89 ARG C C 89 177.500 177.196 0.304 1
1 913 . 11 1 1 A 89 89 ARG CA C 89 57.900 57.561 0.339 1
1 914 . 11 1 1 A 89 89 ARG CB C 89 32.100 30.703 1.397 1
1 917 . 11 1 1 A 89 89 ARG N N 89 122.200 120.073 2.127 1
1 919 . 11 1 1 A 90 90 GLY H H 90 8.950 8.855 0.095 1
1 920 . 11 1 1 A 90 90 GLY HA2 H 90 4.240 3.932 0.308 1
1 921 . 11 1 1 A 90 90 GLY HA3 H 90 3.850 3.942 -0.092 1
1 922 . 11 1 1 A 90 90 GLY C C 90 175.000 174.457 0.543 1
1 923 . 11 1 1 A 90 90 GLY CA C 90 45.100 45.657 -0.557 1
1 924 . 11 1 1 A 90 90 GLY N N 90 115.100 110.725 4.375 1
1 925 . 11 1 1 A 91 91 GLN H H 91 8.120 7.624 0.496 1
1 926 . 11 1 1 A 91 91 GLN HA H 91 4.580 4.362 0.218 1
1 933 . 11 1 1 A 91 91 GLN C C 91 177.000 176.399 0.601 1
1 934 . 11 1 1 A 91 91 GLN CA C 91 55.900 56.353 -0.453 1
1 935 . 11 1 1 A 91 91 GLN CB C 91 31.000 29.517 1.483 1
1 937 . 11 1 1 A 91 91 GLN N N 91 120.900 121.291 -0.391 1
1 938 . 11 1 1 A 92 92 SER H H 92 9.210 8.914 0.296 1
1 939 . 11 1 1 A 92 92 SER HA H 92 4.820 4.142 0.678 1
1 942 . 11 1 1 A 92 92 SER C C 92 171.600 173.090 -1.490 1
1 943 . 11 1 1 A 92 92 SER CA C 92 57.700 58.965 -1.265 1
1 944 . 11 1 1 A 92 92 SER CB C 92 65.200 61.861 3.339 1
1 945 . 11 1 1 A 92 92 SER N N 92 120.900 113.760 7.140 1
1 946 . 11 1 1 A 93 93 ARG H H 93 7.820 8.450 -0.630 1
1 947 . 11 1 1 A 93 93 ARG HA H 93 4.950 5.051 -0.101 1
1 952 . 11 1 1 A 93 93 ARG C C 93 176.400 174.978 1.422 1
1 953 . 11 1 1 A 93 93 ARG CA C 93 55.200 54.491 0.709 1
1 954 . 11 1 1 A 93 93 ARG CB C 93 34.600 32.619 1.981 1
1 957 . 11 1 1 A 93 93 ARG N N 93 117.800 124.493 -6.693 1
1 958 . 11 1 1 A 94 94 PHE H H 94 9.860 9.873 -0.013 1
1 959 . 11 1 1 A 94 94 PHE HA H 94 4.780 5.529 -0.749 1
1 962 . 11 1 1 A 94 94 PHE C C 94 176.400 174.454 1.946 1
1 963 . 11 1 1 A 94 94 PHE CA C 94 58.300 56.269 2.031 1
1 964 . 11 1 1 A 94 94 PHE CB C 94 38.500 39.838 -1.338 1
1 965 . 11 1 1 A 94 94 PHE N N 94 127.100 122.891 4.209 1
1 966 . 11 1 1 A 95 95 CYS H H 95 9.190 8.935 0.255 1
1 967 . 11 1 1 A 95 95 CYS HA H 95 4.810 4.752 0.058 1
1 970 . 11 1 1 A 95 95 CYS CA C 95 57.300 58.101 -0.801 1
1 971 . 11 1 1 A 95 95 CYS CB C 95 28.700 27.494 1.206 1
1 972 . 11 1 1 A 95 95 CYS N N 95 128.200 124.261 3.939 1
1 973 . 11 1 1 A 96 96 ILE H H 96 7.510 8.073 -0.563 1
1 974 . 11 1 1 A 96 96 ILE HA H 96 4.620 4.958 -0.338 1
1 983 . 11 1 1 A 96 96 ILE C C 96 173.700 176.099 -2.399 1
1 984 . 11 1 1 A 96 96 ILE CA C 96 55.800 60.498 -4.698 1
1 985 . 11 1 1 A 96 96 ILE CB C 96 39.900 39.575 0.325 1
1 989 . 11 1 1 A 96 96 ILE N N 96 130.700 127.416 3.284 1
1 990 . 11 1 1 A 97 97 PHE H H 97 8.040 8.994 -0.954 1
1 991 . 11 1 1 A 97 97 PHE HA H 97 4.920 4.887 0.033 1
1 994 . 11 1 1 A 97 97 PHE C C 97 178.800 177.310 1.490 1
1 995 . 11 1 1 A 97 97 PHE CA C 97 57.500 57.833 -0.333 1
1 996 . 11 1 1 A 97 97 PHE CB C 97 38.400 39.717 -1.317 1
1 997 . 11 1 1 A 97 97 PHE N N 97 122.400 124.692 -2.292 1
1 998 . 11 1 1 A 98 98 SER HA H 98 4.380 4.365 0.015 1
1 1001 . 11 1 1 A 98 98 SER C C 98 176.400 176.160 0.240 1
1 1002 . 11 1 1 A 98 98 SER CA C 98 64.900 60.826 4.074 1
1 1003 . 11 1 1 A 98 98 SER CB C 98 63.600 63.254 0.346 1
1 1004 . 11 1 1 A 99 99 SER H H 99 9.360 8.176 1.184 1
1 1005 . 11 1 1 A 99 99 SER HA H 99 4.300 4.408 -0.108 1
1 1008 . 11 1 1 A 99 99 SER C C 99 175.800 176.180 -0.380 1
1 1009 . 11 1 1 A 99 99 SER CA C 99 60.200 60.142 0.058 1
1 1010 . 11 1 1 A 99 99 SER CB C 99 62.700 62.915 -0.215 1
1 1011 . 11 1 1 A 99 99 SER N N 99 114.100 117.159 -3.059 1
1 1012 . 11 1 1 A 100 100 SER H H 100 8.150 7.939 0.211 1
1 1013 . 11 1 1 A 100 100 SER HA H 100 4.630 4.416 0.214 1
1 1016 . 11 1 1 A 100 100 SER C C 100 173.500 174.331 -0.831 1
1 1017 . 11 1 1 A 100 100 SER CA C 100 60.400 60.889 -0.489 1
1 1018 . 11 1 1 A 100 100 SER CB C 100 63.600 64.033 -0.433 1
1 1019 . 11 1 1 A 100 100 SER N N 100 118.700 115.123 3.577 1
1 1020 . 11 1 1 A 101 101 LEU H H 101 8.100 7.898 0.202 1
1 1021 . 11 1 1 A 101 101 LEU HA H 101 5.570 5.020 0.550 1
1 1031 . 11 1 1 A 101 101 LEU C C 101 176.000 174.845 1.155 1
1 1032 . 11 1 1 A 101 101 LEU CA C 101 53.400 53.468 -0.068 1
1 1033 . 11 1 1 A 101 101 LEU CB C 101 46.700 45.702 0.998 1
1 1036 . 11 1 1 A 101 101 LEU N N 101 122.000 116.852 5.148 1
1 1037 . 11 1 1 A 102 102 LYS H H 102 8.950 8.741 0.209 1
1 1038 . 11 1 1 A 102 102 LYS HA H 102 4.710 4.882 -0.172 1
1 1045 . 11 1 1 A 102 102 LYS C C 102 174.400 174.697 -0.297 1
1 1046 . 11 1 1 A 102 102 LYS CA C 102 55.400 54.487 0.913 1
1 1047 . 11 1 1 A 102 102 LYS CB C 102 36.500 35.491 1.009 1
1 1051 . 11 1 1 A 102 102 LYS N N 102 119.500 119.524 -0.024 1
1 1052 . 11 1 1 A 103 103 PHE H H 103 9.010 8.791 0.219 1
1 1053 . 11 1 1 A 103 103 PHE HA H 103 4.750 5.078 -0.328 1
1 1056 . 11 1 1 A 103 103 PHE C C 103 173.900 173.442 0.458 1
1 1057 . 11 1 1 A 103 103 PHE CA C 103 57.100 55.093 2.007 1
1 1058 . 11 1 1 A 103 103 PHE CB C 103 41.300 41.661 -0.361 1
1 1059 . 11 1 1 A 103 103 PHE N N 103 124.500 123.364 1.136 1
1 1060 . 11 1 1 A 104 104 VAL H H 104 8.550 8.765 -0.215 1
1 1061 . 11 1 1 A 104 104 VAL HA H 104 4.140 4.821 -0.681 1
1 1069 . 11 1 1 A 104 104 VAL C C 104 172.800 173.577 -0.777 1
1 1070 . 11 1 1 A 104 104 VAL CA C 104 58.800 58.041 0.759 1
1 1071 . 11 1 1 A 104 104 VAL CB C 104 32.300 35.130 -2.830 1
1 1074 . 11 1 1 A 104 104 VAL N N 104 132.000 127.243 4.757 1
1 1075 . 11 1 1 A 105 105 PRO HA H 105 4.110 4.706 -0.596 1
1 1082 . 11 1 1 A 105 105 PRO C C 105 176.400 177.121 -0.721 1
1 1083 . 11 1 1 A 105 105 PRO CA C 105 62.400 62.652 -0.252 1
1 1084 . 11 1 1 A 105 105 PRO CB C 105 32.400 32.060 0.340 1
1 1087 . 11 1 1 A 106 106 LYS H H 106 7.900 8.339 -0.439 1
1 1088 . 11 1 1 A 106 106 LYS HA H 106 4.170 4.540 -0.370 1
1 1096 . 11 1 1 A 106 106 LYS C C 106 176.900 176.049 0.851 1
1 1097 . 11 1 1 A 106 106 LYS CA C 106 56.700 56.065 0.635 1
1 1098 . 11 1 1 A 106 106 LYS CB C 106 33.500 34.127 -0.627 1
1 1102 . 11 1 1 A 106 106 LYS N N 106 123.200 121.690 1.510 1
1 1103 . 11 1 1 A 107 107 GLY H H 107 8.740 8.415 0.325 1
1 1104 . 11 1 1 A 107 107 GLY HA2 H 107 3.930 4.208 -0.278 1
1 1105 . 11 1 1 A 107 107 GLY HA3 H 107 3.960 4.214 -0.254 1
1 1106 . 11 1 1 A 107 107 GLY C C 107 174.000 174.729 -0.729 1
1 1107 . 11 1 1 A 107 107 GLY CA C 107 45.000 45.725 -0.725 1
1 1108 . 11 1 1 A 107 107 GLY N N 107 113.500 108.836 4.664 1
1 1109 . 11 1 1 A 108 108 LYS H H 108 8.240 8.571 -0.331 1
1 1110 . 11 1 1 A 108 108 LYS HA H 108 4.290 4.080 0.210 1
1 1118 . 11 1 1 A 108 108 LYS C C 108 176.700 179.170 -2.470 1
1 1119 . 11 1 1 A 108 108 LYS CA C 108 56.000 58.927 -2.927 1
1 1120 . 11 1 1 A 108 108 LYS CB C 108 32.700 32.708 -0.008 1
1 1124 . 11 1 1 A 108 108 LYS N N 108 121.500 123.039 -1.539 1
1 1125 . 11 1 1 A 109 109 GLU H H 109 8.650 8.120 0.530 1
1 1126 . 11 1 1 A 109 109 GLU HA H 109 4.180 4.021 0.159 1
1 1131 . 11 1 1 A 109 109 GLU C C 109 176.500 176.362 0.138 1
1 1132 . 11 1 1 A 109 109 GLU CA C 109 56.600 59.475 -2.875 1
1 1133 . 11 1 1 A 109 109 GLU CB C 109 29.900 29.448 0.452 1
1 1135 . 11 1 1 A 109 109 GLU N N 109 122.800 120.137 2.663 1
1 1136 . 11 1 1 A 110 110 ALA H H 110 8.400 7.827 0.573 1
1 1137 . 11 1 1 A 110 110 ALA HA H 110 4.190 3.989 0.201 1
1 1141 . 11 1 1 A 110 110 ALA CA C 110 52.500 54.351 -1.851 1
1 1142 . 11 1 1 A 110 110 ALA CB C 110 19.000 18.068 0.932 1
1 1143 . 11 1 1 A 110 110 ALA N N 110 126.100 121.412 4.688 1
1 1144 . 11 1 1 A 111 111 ALA H H 111 8.240 8.718 -0.478 1
1 1145 . 11 1 1 A 111 111 ALA HA H 111 4.220 3.990 0.230 1
1 1149 . 11 1 1 A 111 111 ALA C C 111 177.800 176.886 0.914 1
1 1150 . 11 1 1 A 111 111 ALA CA C 111 52.600 54.285 -1.685 1
1 1151 . 11 1 1 A 111 111 ALA CB C 111 19.000 18.122 0.878 1
1 1152 . 11 1 1 A 111 111 ALA N N 111 123.800 119.405 4.395 1
1 1153 . 11 1 1 A 112 112 ALA H H 112 8.220 8.778 -0.558 1
1 1154 . 11 1 1 A 112 112 ALA HA H 112 4.250 3.951 0.299 1
1 1158 . 11 1 1 A 112 112 ALA C C 112 178.100 176.300 1.800 1
1 1159 . 11 1 1 A 112 112 ALA CA C 112 52.600 52.991 -0.391 1
1 1160 . 11 1 1 A 112 112 ALA CB C 112 19.100 17.631 1.469 1
1 1161 . 11 1 1 A 112 112 ALA N N 112 123.600 119.548 4.052 1
1 1162 . 11 1 1 A 113 113 SER H H 113 8.200 7.528 0.672 1
1 1163 . 11 1 1 A 113 113 SER HA H 113 4.360 4.915 -0.555 1
1 1166 . 11 1 1 A 113 113 SER C C 113 174.800 172.368 2.432 1
1 1167 . 11 1 1 A 113 113 SER CA C 113 58.300 57.226 1.074 1
1 1168 . 11 1 1 A 113 113 SER CB C 113 63.500 65.782 -2.282 1
1 1169 . 11 1 1 A 113 113 SER N N 113 115.400 108.488 6.912 1
1 1170 . 11 1 1 A 114 114 GLN H H 114 8.320 8.508 -0.188 1
1 1171 . 11 1 1 A 114 114 GLN HA H 114 4.290 4.795 -0.505 1
1 1178 . 11 1 1 A 114 114 GLN C C 114 176.500 175.752 0.748 1
1 1179 . 11 1 1 A 114 114 GLN CA C 114 55.900 55.310 0.590 1
1 1180 . 11 1 1 A 114 114 GLN CB C 114 29.300 30.898 -1.598 1
1 1182 . 11 1 1 A 114 114 GLN N N 114 122.500 120.912 1.588 1
1 1183 . 11 1 1 A 115 115 GLY H H 115 8.370 8.408 -0.038 1
1 1184 . 11 1 1 A 115 115 GLY HA2 H 115 3.850 4.258 -0.408 1
1 1185 . 11 1 1 A 115 115 GLY HA3 H 115 3.850 4.317 -0.467 1
1 1186 . 11 1 1 A 115 115 GLY C C 115 173.900 171.600 2.300 1
1 1187 . 11 1 1 A 115 115 GLY CA C 115 45.400 45.943 -0.543 1
1 1188 . 11 1 1 A 115 115 GLY N N 115 110.000 109.014 0.986 1
1 1189 . 11 1 1 A 116 116 HIS H H 116 8.290 8.762 -0.472 1
1 1190 . 11 1 1 A 116 116 HIS HA H 116 4.620 5.065 -0.445 1
1 1195 . 11 1 1 A 116 116 HIS C C 116 174.600 173.048 1.552 1
1 1196 . 11 1 1 A 116 116 HIS CA C 116 55.500 54.826 0.674 1
1 1197 . 11 1 1 A 116 116 HIS CB C 116 29.100 31.380 -2.280 1
1 1198 . 11 1 1 A 116 116 HIS N N 116 119.100 114.523 4.577 1
1 1199 . 11 1 1 A 117 117 LEU H H 117 8.220 8.490 -0.270 1
1 1200 . 11 1 1 A 117 117 LEU HA H 117 4.240 4.556 -0.316 1
1 1210 . 11 1 1 A 117 117 LEU C C 117 174.600 176.413 -1.813 1
1 1211 . 11 1 1 A 117 117 LEU CA C 117 55.100 53.646 1.454 1
1 1212 . 11 1 1 A 117 117 LEU CB C 117 42.300 43.657 -1.357 1
1 1216 . 11 1 1 A 117 117 LEU N N 117 124.100 119.418 4.682 1
1 1217 . 11 1 1 A 118 118 GLU H H 118 8.350 8.845 -0.495 1
1 1218 . 11 1 1 A 118 118 GLU HA H 118 4.160 5.154 -0.994 1
1 1223 . 11 1 1 A 118 118 GLU C C 118 176.000 174.673 1.327 1
1 1224 . 11 1 1 A 118 118 GLU CA C 118 56.300 55.066 1.234 1
1 1225 . 11 1 1 A 118 118 GLU CB C 118 30.300 33.962 -3.662 1
1 1227 . 11 1 1 A 118 118 GLU N N 118 122.300 117.303 4.997 1
1 1228 . 11 1 1 A 119 119 HIS H H 119 8.410 8.564 -0.154 1
1 1229 . 11 1 1 A 119 119 HIS HA H 119 4.570 5.272 -0.702 1
1 1232 . 11 1 1 A 119 119 HIS C C 119 174.500 173.452 1.048 1
1 1233 . 11 1 1 A 119 119 HIS CA C 119 55.400 54.913 0.487 1
1 1234 . 11 1 1 A 119 119 HIS CB C 119 29.400 31.814 -2.414 1
1 1235 . 11 1 1 A 119 119 HIS N N 119 120.500 116.291 4.209 1
1 1236 . 11 1 1 A 120 120 HIS H H 120 8.530 8.793 -0.263 1
1 1237 . 11 1 1 A 120 120 HIS HA H 120 4.640 5.153 -0.513 1
1 1240 . 11 1 1 A 120 120 HIS C C 120 174.400 172.919 1.481 1
1 1241 . 11 1 1 A 120 120 HIS CA C 120 57.900 56.284 1.616 1
1 1242 . 11 1 1 A 120 120 HIS CB C 120 29.400 33.080 -3.680 1
1 1 . 12 1 1 A 3 3 PHE HA H 3 4.650 4.509 0.141 1
1 4 . 12 1 1 A 3 3 PHE C C 3 174.500 175.104 -0.604 1
1 5 . 12 1 1 A 3 3 PHE CA C 3 57.800 59.742 -1.942 1
1 6 . 12 1 1 A 3 3 PHE CB C 3 39.600 38.128 1.472 1
1 7 . 12 1 1 A 4 4 CYS H H 4 8.270 8.570 -0.300 1
1 8 . 12 1 1 A 4 4 CYS HA H 4 4.380 4.690 -0.310 1
1 11 . 12 1 1 A 4 4 CYS C C 4 173.800 175.078 -1.278 1
1 12 . 12 1 1 A 4 4 CYS CA C 4 58.100 59.150 -1.050 1
1 13 . 12 1 1 A 4 4 CYS CB C 4 28.100 29.609 -1.509 1
1 14 . 12 1 1 A 4 4 CYS N N 4 122.600 116.654 5.946 1
1 15 . 12 1 1 A 5 5 SER H H 5 8.250 8.174 0.076 1
1 16 . 12 1 1 A 5 5 SER HA H 5 4.270 4.256 0.014 1
1 19 . 12 1 1 A 5 5 SER C C 5 173.700 173.873 -0.173 1
1 20 . 12 1 1 A 5 5 SER CA C 5 58.300 59.024 -0.724 1
1 21 . 12 1 1 A 5 5 SER CB C 5 63.700 62.073 1.627 1
1 22 . 12 1 1 A 5 5 SER N N 5 119.600 113.119 6.481 1
1 23 . 12 1 1 A 6 6 PHE H H 6 8.010 8.189 -0.179 1
1 24 . 12 1 1 A 6 6 PHE HA H 6 4.560 5.815 -1.255 1
1 28 . 12 1 1 A 6 6 PHE C C 6 173.700 174.507 -0.807 1
1 29 . 12 1 1 A 6 6 PHE CA C 6 57.600 55.313 2.287 1
1 30 . 12 1 1 A 6 6 PHE CB C 6 39.700 42.640 -2.940 1
1 31 . 12 1 1 A 6 6 PHE N N 6 122.500 122.456 0.044 1
1 32 . 12 1 1 A 7 7 PHE H H 7 8.230 9.108 -0.878 1
1 33 . 12 1 1 A 7 7 PHE HA H 7 4.530 4.642 -0.112 1
1 36 . 12 1 1 A 7 7 PHE C C 7 175.800 175.486 0.314 1
1 37 . 12 1 1 A 7 7 PHE CA C 7 57.600 57.334 0.266 1
1 38 . 12 1 1 A 7 7 PHE CB C 7 39.700 39.654 0.046 1
1 39 . 12 1 1 A 7 7 PHE N N 7 123.000 122.006 0.994 1
1 40 . 12 1 1 A 8 8 GLY H H 8 7.870 7.924 -0.054 1
1 41 . 12 1 1 A 8 8 GLY HA2 H 8 3.800 4.008 -0.208 1
1 42 . 12 1 1 A 8 8 GLY HA3 H 8 3.750 4.032 -0.282 1
1 43 . 12 1 1 A 8 8 GLY C C 8 174.300 174.843 -0.543 1
1 44 . 12 1 1 A 8 8 GLY CA C 8 45.300 46.301 -1.001 1
1 45 . 12 1 1 A 8 8 GLY N N 8 111.200 106.450 4.750 1
1 46 . 12 1 1 A 9 9 GLY H H 9 7.930 8.182 -0.252 1
1 47 . 12 1 1 A 9 9 GLY HA2 H 9 3.920 4.073 -0.153 1
1 48 . 12 1 1 A 9 9 GLY HA3 H 9 3.850 4.088 -0.238 1
1 49 . 12 1 1 A 9 9 GLY C C 9 175.200 173.105 2.095 1
1 50 . 12 1 1 A 9 9 GLY CA C 9 45.100 44.622 0.478 1
1 51 . 12 1 1 A 9 9 GLY N N 9 108.400 107.539 0.861 1
1 52 . 12 1 1 A 10 10 GLU H H 10 8.400 7.609 0.791 1
1 53 . 12 1 1 A 10 10 GLU HA H 10 4.360 5.056 -0.696 1
1 58 . 12 1 1 A 10 10 GLU C C 10 178.400 175.139 3.261 1
1 59 . 12 1 1 A 10 10 GLU CA C 10 54.700 54.478 0.222 1
1 60 . 12 1 1 A 10 10 GLU CB C 10 36.700 33.855 2.845 1
1 62 . 12 1 1 A 10 10 GLU N N 10 122.600 120.444 2.156 1
1 63 . 12 1 1 A 11 11 VAL H H 11 7.940 8.830 -0.890 1
1 64 . 12 1 1 A 11 11 VAL HA H 11 3.680 4.390 -0.710 1
1 72 . 12 1 1 A 11 11 VAL C C 11 176.600 176.162 0.438 1
1 73 . 12 1 1 A 11 11 VAL CA C 11 63.800 61.241 2.559 1
1 74 . 12 1 1 A 11 11 VAL CB C 11 31.200 32.703 -1.503 1
1 77 . 12 1 1 A 11 11 VAL N N 11 120.300 122.852 -2.552 1
1 78 . 12 1 1 A 12 12 PHE H H 12 7.730 7.708 0.022 1
1 79 . 12 1 1 A 12 12 PHE HA H 12 5.200 3.608 1.592 1
1 83 . 12 1 1 A 12 12 PHE C C 12 177.100 176.630 0.470 1
1 84 . 12 1 1 A 12 12 PHE CA C 12 55.700 58.719 -3.019 1
1 85 . 12 1 1 A 12 12 PHE CB C 12 38.200 37.582 0.618 1
1 86 . 12 1 1 A 12 12 PHE N N 12 113.700 121.962 -8.262 1
1 87 . 12 1 1 A 13 13 GLN H H 13 8.080 7.886 0.194 1
1 88 . 12 1 1 A 13 13 GLN HA H 13 3.270 4.129 -0.859 1
1 95 . 12 1 1 A 13 13 GLN C C 13 175.400 178.233 -2.833 1
1 96 . 12 1 1 A 13 13 GLN CA C 13 62.100 58.774 3.326 1
1 97 . 12 1 1 A 13 13 GLN CB C 13 27.100 28.333 -1.233 1
1 99 . 12 1 1 A 13 13 GLN N N 13 126.400 120.640 5.760 1
1 100 . 12 1 1 A 14 14 ASN H H 14 8.580 7.750 0.830 1
1 101 . 12 1 1 A 14 14 ASN HA H 14 5.010 4.539 0.471 1
1 106 . 12 1 1 A 14 14 ASN C C 14 173.000 175.827 -2.827 1
1 107 . 12 1 1 A 14 14 ASN CA C 14 51.500 55.809 -4.309 1
1 108 . 12 1 1 A 14 14 ASN CB C 14 37.900 39.265 -1.365 1
1 109 . 12 1 1 A 14 14 ASN N N 14 115.900 117.008 -1.108 1
1 111 . 12 1 1 A 15 15 HIS H H 15 6.070 7.379 -1.309 1
1 112 . 12 1 1 A 15 15 HIS HA H 15 4.370 4.463 -0.093 1
1 117 . 12 1 1 A 15 15 HIS C C 15 174.400 174.845 -0.445 1
1 118 . 12 1 1 A 15 15 HIS CA C 15 56.600 54.687 1.913 1
1 119 . 12 1 1 A 15 15 HIS CB C 15 33.400 30.922 2.478 1
1 120 . 12 1 1 A 15 15 HIS N N 15 120.500 115.282 5.218 1
1 121 . 12 1 1 A 16 16 PHE H H 16 8.880 8.305 0.575 1
1 122 . 12 1 1 A 16 16 PHE HA H 16 4.870 4.227 0.643 1
1 125 . 12 1 1 A 16 16 PHE C C 16 174.300 175.183 -0.883 1
1 126 . 12 1 1 A 16 16 PHE CA C 16 57.100 58.241 -1.141 1
1 127 . 12 1 1 A 16 16 PHE CB C 16 39.700 37.721 1.979 1
1 128 . 12 1 1 A 16 16 PHE N N 16 127.200 117.759 9.441 1
1 129 . 12 1 1 A 17 17 GLU H H 17 5.780 8.539 -2.759 1
1 130 . 12 1 1 A 17 17 GLU HA H 17 4.500 4.692 -0.192 1
1 135 . 12 1 1 A 17 17 GLU C C 17 174.300 174.668 -0.368 1
1 136 . 12 1 1 A 17 17 GLU CA C 17 53.500 55.216 -1.716 1
1 137 . 12 1 1 A 17 17 GLU CB C 17 30.700 28.548 2.152 1
1 139 . 12 1 1 A 17 17 GLU N N 17 119.900 123.170 -3.270 1
1 140 . 12 1 1 A 18 18 PRO HA H 18 4.630 4.408 0.222 1
1 147 . 12 1 1 A 18 18 PRO C C 18 178.100 176.442 1.658 1
1 148 . 12 1 1 A 18 18 PRO CA C 18 62.700 63.466 -0.766 1
1 149 . 12 1 1 A 18 18 PRO CB C 18 31.400 32.956 -1.556 1
1 152 . 12 1 1 A 19 19 GLY H H 19 8.820 8.353 0.467 1
1 153 . 12 1 1 A 19 19 GLY HA2 H 19 4.500 3.957 0.543 1
1 154 . 12 1 1 A 19 19 GLY HA3 H 19 3.630 3.977 -0.347 1
1 155 . 12 1 1 A 19 19 GLY C C 19 171.000 172.488 -1.488 1
1 156 . 12 1 1 A 19 19 GLY CA C 19 46.200 43.811 2.389 1
1 157 . 12 1 1 A 19 19 GLY N N 19 111.300 107.709 3.591 1
1 158 . 12 1 1 A 20 20 VAL H H 20 8.070 7.862 0.208 1
1 159 . 12 1 1 A 20 20 VAL HA H 20 4.750 5.026 -0.276 1
1 167 . 12 1 1 A 20 20 VAL C C 20 172.300 174.051 -1.751 1
1 168 . 12 1 1 A 20 20 VAL CA C 20 60.200 60.338 -0.138 1
1 169 . 12 1 1 A 20 20 VAL CB C 20 36.100 35.814 0.286 1
1 172 . 12 1 1 A 20 20 VAL N N 20 120.700 117.526 3.174 1
1 173 . 12 1 1 A 21 21 TYR H H 21 9.560 8.938 0.622 1
1 174 . 12 1 1 A 21 21 TYR HA H 21 5.230 5.522 -0.292 1
1 177 . 12 1 1 A 21 21 TYR C C 21 175.600 175.606 -0.006 1
1 178 . 12 1 1 A 21 21 TYR CA C 21 56.800 56.204 0.596 1
1 179 . 12 1 1 A 21 21 TYR CB C 21 39.200 41.913 -2.713 1
1 180 . 12 1 1 A 21 21 TYR N N 21 123.200 121.960 1.240 1
1 181 . 12 1 1 A 22 22 VAL H H 22 9.400 8.751 0.649 1
1 182 . 12 1 1 A 22 22 VAL HA H 22 4.950 5.193 -0.243 1
1 190 . 12 1 1 A 22 22 VAL C C 22 174.000 174.010 -0.010 1
1 191 . 12 1 1 A 22 22 VAL CA C 22 57.100 59.941 -2.841 1
1 192 . 12 1 1 A 22 22 VAL CB C 22 33.900 35.056 -1.156 1
1 195 . 12 1 1 A 22 22 VAL N N 22 119.100 116.733 2.367 1
1 196 . 12 1 1 A 23 23 CYS H H 23 9.020 8.682 0.338 1
1 197 . 12 1 1 A 23 23 CYS HA H 23 4.260 5.101 -0.841 1
1 200 . 12 1 1 A 23 23 CYS C C 23 178.700 175.744 2.956 1
1 201 . 12 1 1 A 23 23 CYS CA C 23 60.600 57.283 3.317 1
1 202 . 12 1 1 A 23 23 CYS CB C 23 31.700 29.994 1.706 1
1 203 . 12 1 1 A 23 23 CYS N N 23 123.800 120.942 2.858 1
1 204 . 12 1 1 A 24 24 ALA H H 24 8.760 8.997 -0.237 1
1 205 . 12 1 1 A 24 24 ALA HA H 24 3.840 4.361 -0.521 1
1 209 . 12 1 1 A 24 24 ALA C C 24 177.500 179.701 -2.201 1
1 210 . 12 1 1 A 24 24 ALA CA C 24 55.000 55.503 -0.503 1
1 211 . 12 1 1 A 24 24 ALA CB C 24 18.700 18.542 0.158 1
1 212 . 12 1 1 A 24 24 ALA N N 24 131.900 128.628 3.272 1
1 213 . 12 1 1 A 25 25 LYS H H 25 9.200 7.940 1.260 1
1 214 . 12 1 1 A 25 25 LYS HA H 25 4.380 4.241 0.139 1
1 222 . 12 1 1 A 25 25 LYS C C 25 178.100 179.014 -0.914 1
1 223 . 12 1 1 A 25 25 LYS CA C 25 57.900 58.226 -0.326 1
1 224 . 12 1 1 A 25 25 LYS CB C 25 33.500 33.369 0.131 1
1 228 . 12 1 1 A 25 25 LYS N N 25 120.000 116.693 3.307 1
1 229 . 12 1 1 A 26 26 CYS H H 26 8.730 7.966 0.764 1
1 230 . 12 1 1 A 26 26 CYS HA H 26 5.000 4.201 0.799 1
1 233 . 12 1 1 A 26 26 CYS C C 26 177.000 175.253 1.747 1
1 234 . 12 1 1 A 26 26 CYS CA C 26 59.400 62.875 -3.475 1
1 235 . 12 1 1 A 26 26 CYS CB C 26 32.900 27.871 5.029 1
1 236 . 12 1 1 A 26 26 CYS N N 26 120.900 118.926 1.974 1
1 237 . 12 1 1 A 27 27 SER H H 27 8.170 8.192 -0.022 1
1 238 . 12 1 1 A 27 27 SER HA H 27 4.140 4.291 -0.151 1
1 241 . 12 1 1 A 27 27 SER C C 27 174.800 174.122 0.678 1
1 242 . 12 1 1 A 27 27 SER CA C 27 60.900 59.433 1.467 1
1 243 . 12 1 1 A 27 27 SER CB C 27 61.600 61.108 0.492 1
1 244 . 12 1 1 A 27 27 SER N N 27 115.800 115.429 0.371 1
1 245 . 12 1 1 A 28 28 TYR H H 28 9.010 7.982 1.028 1
1 246 . 12 1 1 A 28 28 TYR HA H 28 4.420 4.722 -0.302 1
1 249 . 12 1 1 A 28 28 TYR C C 28 176.600 174.901 1.699 1
1 250 . 12 1 1 A 28 28 TYR CA C 28 59.300 56.948 2.352 1
1 251 . 12 1 1 A 28 28 TYR CB C 28 39.600 38.801 0.799 1
1 252 . 12 1 1 A 28 28 TYR N N 28 127.100 123.169 3.931 1
1 253 . 12 1 1 A 29 29 GLU H H 29 7.730 8.871 -1.141 1
1 254 . 12 1 1 A 29 29 GLU HA H 29 3.670 5.111 -1.441 1
1 259 . 12 1 1 A 29 29 GLU C C 29 174.900 176.598 -1.698 1
1 260 . 12 1 1 A 29 29 GLU CA C 29 58.700 56.954 1.746 1
1 261 . 12 1 1 A 29 29 GLU CB C 29 29.800 30.077 -0.277 1
1 263 . 12 1 1 A 29 29 GLU N N 29 124.500 127.844 -3.344 1
1 264 . 12 1 1 A 30 30 LEU H H 30 7.940 8.826 -0.886 1
1 265 . 12 1 1 A 30 30 LEU HA H 30 4.140 5.231 -1.091 1
1 274 . 12 1 1 A 30 30 LEU C C 30 175.400 175.554 -0.154 1
1 275 . 12 1 1 A 30 30 LEU CA C 30 56.200 53.539 2.661 1
1 276 . 12 1 1 A 30 30 LEU CB C 30 46.700 45.426 1.274 1
1 277 . 12 1 1 A 30 30 LEU N N 30 121.800 121.088 0.712 1
1 278 . 12 1 1 A 31 31 PHE H H 31 7.880 8.812 -0.932 1
1 279 . 12 1 1 A 31 31 PHE HA H 31 4.720 4.860 -0.140 1
1 282 . 12 1 1 A 31 31 PHE C C 31 174.600 173.372 1.228 1
1 283 . 12 1 1 A 31 31 PHE CA C 31 56.600 58.035 -1.435 1
1 284 . 12 1 1 A 31 31 PHE CB C 31 45.300 41.502 3.798 1
1 285 . 12 1 1 A 31 31 PHE N N 31 113.300 121.447 -8.147 1
1 286 . 12 1 1 A 32 32 SER H H 32 10.030 8.922 1.108 1
1 287 . 12 1 1 A 32 32 SER HA H 32 4.860 5.320 -0.460 1
1 290 . 12 1 1 A 32 32 SER CA C 32 57.000 56.439 0.561 1
1 291 . 12 1 1 A 32 32 SER CB C 32 63.700 65.255 -1.555 1
1 292 . 12 1 1 A 32 32 SER N N 32 118.700 116.715 1.985 1
1 293 . 12 1 1 A 33 33 SER H H 33 8.990 8.921 0.069 1
1 294 . 12 1 1 A 33 33 SER HA H 33 4.840 4.793 0.047 1
1 297 . 12 1 1 A 33 33 SER C C 33 177.300 175.015 2.285 1
1 298 . 12 1 1 A 33 33 SER CA C 33 63.700 59.530 4.170 1
1 299 . 12 1 1 A 33 33 SER CB C 33 63.700 63.871 -0.171 1
1 300 . 12 1 1 A 33 33 SER N N 33 123.100 121.906 1.194 1
1 301 . 12 1 1 A 34 34 HIS HA H 34 4.710 3.775 0.935 1
1 304 . 12 1 1 A 34 34 HIS C C 34 175.800 177.291 -1.491 1
1 305 . 12 1 1 A 34 34 HIS CA C 34 57.900 57.977 -0.077 1
1 306 . 12 1 1 A 34 34 HIS CB C 34 28.600 30.306 -1.706 1
1 307 . 12 1 1 A 35 35 SER H H 35 7.960 7.909 0.051 1
1 308 . 12 1 1 A 35 35 SER HA H 35 4.820 4.380 0.440 1
1 311 . 12 1 1 A 35 35 SER C C 35 173.200 175.007 -1.807 1
1 312 . 12 1 1 A 35 35 SER CA C 35 58.100 60.785 -2.685 1
1 313 . 12 1 1 A 35 35 SER CB C 35 65.300 63.293 2.007 1
1 314 . 12 1 1 A 35 35 SER N N 35 114.500 112.016 2.484 1
1 315 . 12 1 1 A 36 36 LYS H H 36 7.630 7.648 -0.018 1
1 316 . 12 1 1 A 36 36 LYS HA H 36 4.890 4.518 0.372 1
1 322 . 12 1 1 A 36 36 LYS C C 36 176.100 175.943 0.157 1
1 323 . 12 1 1 A 36 36 LYS CA C 36 55.400 55.795 -0.395 1
1 324 . 12 1 1 A 36 36 LYS CB C 36 35.400 33.360 2.040 1
1 328 . 12 1 1 A 36 36 LYS N N 36 126.900 120.443 6.457 1
1 329 . 12 1 1 A 37 37 TYR H H 37 8.440 8.061 0.379 1
1 330 . 12 1 1 A 37 37 TYR HA H 37 5.100 5.446 -0.346 1
1 333 . 12 1 1 A 37 37 TYR C C 37 172.800 174.064 -1.264 1
1 334 . 12 1 1 A 37 37 TYR CA C 37 55.400 55.303 0.097 1
1 335 . 12 1 1 A 37 37 TYR CB C 37 41.000 41.688 -0.688 1
1 336 . 12 1 1 A 37 37 TYR N N 37 124.200 117.772 6.428 1
1 337 . 12 1 1 A 38 38 ALA H H 38 8.590 8.476 0.114 1
1 338 . 12 1 1 A 38 38 ALA HA H 38 4.630 4.457 0.173 1
1 342 . 12 1 1 A 38 38 ALA C C 38 175.900 177.263 -1.363 1
1 343 . 12 1 1 A 38 38 ALA CA C 38 52.500 52.150 0.350 1
1 344 . 12 1 1 A 38 38 ALA CB C 38 18.300 18.722 -0.422 1
1 345 . 12 1 1 A 38 38 ALA N N 38 125.100 123.203 1.897 1
1 346 . 12 1 1 A 39 39 HIS H H 39 8.080 8.563 -0.483 1
1 347 . 12 1 1 A 39 39 HIS HA H 39 4.620 4.965 -0.345 1
1 352 . 12 1 1 A 39 39 HIS C C 39 174.100 172.513 1.587 1
1 353 . 12 1 1 A 39 39 HIS CA C 39 57.000 55.989 1.011 1
1 354 . 12 1 1 A 39 39 HIS CB C 39 34.600 33.533 1.067 1
1 355 . 12 1 1 A 39 39 HIS N N 39 125.600 121.664 3.936 1
1 356 . 12 1 1 A 40 40 SER H H 40 6.860 8.353 -1.493 1
1 357 . 12 1 1 A 40 40 SER HA H 40 4.060 4.679 -0.619 1
1 360 . 12 1 1 A 40 40 SER C C 40 174.900 173.150 1.750 1
1 361 . 12 1 1 A 40 40 SER CA C 40 58.800 57.362 1.438 1
1 362 . 12 1 1 A 40 40 SER CB C 40 62.700 63.800 -1.100 1
1 363 . 12 1 1 A 40 40 SER N N 40 118.700 122.768 -4.068 1
1 364 . 12 1 1 A 41 41 SER H H 41 9.140 8.556 0.584 1
1 365 . 12 1 1 A 41 41 SER HA H 41 4.480 4.718 -0.238 1
1 368 . 12 1 1 A 41 41 SER C C 41 173.600 171.486 2.114 1
1 369 . 12 1 1 A 41 41 SER CA C 41 57.800 56.750 1.050 1
1 370 . 12 1 1 A 41 41 SER CB C 41 63.600 65.619 -2.019 1
1 371 . 12 1 1 A 41 41 SER N N 41 122.500 120.397 2.103 1
1 372 . 12 1 1 A 42 42 PRO HA H 42 4.040 4.086 -0.046 1
1 379 . 12 1 1 A 42 42 PRO C C 42 174.900 176.673 -1.773 1
1 380 . 12 1 1 A 42 42 PRO CA C 42 63.700 63.228 0.472 1
1 381 . 12 1 1 A 42 42 PRO CB C 42 31.500 31.819 -0.319 1
1 384 . 12 1 1 A 43 43 TRP H H 43 6.590 7.863 -1.273 1
1 385 . 12 1 1 A 43 43 TRP HA H 43 4.850 4.040 0.810 1
1 394 . 12 1 1 A 43 43 TRP C C 43 174.100 174.917 -0.817 1
1 395 . 12 1 1 A 43 43 TRP CA C 43 57.300 57.615 -0.315 1
1 396 . 12 1 1 A 43 43 TRP CB C 43 29.500 27.413 2.087 1
1 397 . 12 1 1 A 43 43 TRP N N 43 113.900 117.427 -3.527 1
1 399 . 12 1 1 A 44 44 PRO HA H 44 3.810 4.494 -0.684 1
1 405 . 12 1 1 A 44 44 PRO C C 44 174.800 175.236 -0.436 1
1 406 . 12 1 1 A 44 44 PRO CA C 44 63.200 62.335 0.865 1
1 407 . 12 1 1 A 44 44 PRO CB C 44 32.200 32.753 -0.553 1
1 410 . 12 1 1 A 45 45 ALA H H 45 7.850 7.853 -0.003 1
1 411 . 12 1 1 A 45 45 ALA HA H 45 5.260 4.731 0.529 1
1 415 . 12 1 1 A 45 45 ALA C C 45 174.800 175.389 -0.589 1
1 416 . 12 1 1 A 45 45 ALA CA C 45 50.100 50.235 -0.135 1
1 417 . 12 1 1 A 45 45 ALA CB C 45 20.800 23.883 -3.083 1
1 418 . 12 1 1 A 45 45 ALA N N 45 126.700 119.536 7.164 1
1 419 . 12 1 1 A 46 46 PHE H H 46 8.080 8.100 -0.020 1
1 420 . 12 1 1 A 46 46 PHE HA H 46 5.860 5.189 0.671 1
1 424 . 12 1 1 A 46 46 PHE C C 46 177.800 175.478 2.322 1
1 425 . 12 1 1 A 46 46 PHE CA C 46 54.800 56.625 -1.825 1
1 426 . 12 1 1 A 46 46 PHE CB C 46 44.500 43.594 0.906 1
1 427 . 12 1 1 A 46 46 PHE N N 46 115.600 115.106 0.494 1
1 428 . 12 1 1 A 47 47 THR H H 47 9.190 8.465 0.725 1
1 429 . 12 1 1 A 47 47 THR HA H 47 5.220 4.815 0.405 1
1 434 . 12 1 1 A 47 47 THR C C 47 175.000 175.302 -0.302 1
1 435 . 12 1 1 A 47 47 THR CA C 47 63.000 62.505 0.495 1
1 436 . 12 1 1 A 47 47 THR CB C 47 70.500 70.453 0.047 1
1 438 . 12 1 1 A 47 47 THR N N 47 109.900 111.743 -1.843 1
1 439 . 12 1 1 A 48 48 GLU H H 48 7.320 7.873 -0.553 1
1 440 . 12 1 1 A 48 48 GLU HA H 48 4.920 4.760 0.160 1
1 445 . 12 1 1 A 48 48 GLU C C 48 175.400 175.097 0.303 1
1 446 . 12 1 1 A 48 48 GLU CA C 48 55.200 54.294 0.906 1
1 447 . 12 1 1 A 48 48 GLU CB C 48 31.900 33.172 -1.272 1
1 449 . 12 1 1 A 48 48 GLU N N 48 115.400 120.281 -4.881 1
1 450 . 12 1 1 A 49 49 THR H H 49 8.150 8.116 0.034 1
1 451 . 12 1 1 A 49 49 THR HA H 49 4.090 4.594 -0.504 1
1 456 . 12 1 1 A 49 49 THR C C 49 175.800 175.565 0.235 1
1 457 . 12 1 1 A 49 49 THR CA C 49 60.000 59.672 0.328 1
1 458 . 12 1 1 A 49 49 THR CB C 49 70.400 71.642 -1.242 1
1 460 . 12 1 1 A 49 49 THR N N 49 111.400 112.345 -0.945 1
1 461 . 12 1 1 A 50 50 ILE H H 50 7.720 8.673 -0.953 1
1 462 . 12 1 1 A 50 50 ILE HA H 50 3.630 4.009 -0.379 1
1 472 . 12 1 1 A 50 50 ILE C C 50 174.500 176.493 -1.993 1
1 473 . 12 1 1 A 50 50 ILE CA C 50 64.100 62.727 1.373 1
1 474 . 12 1 1 A 50 50 ILE CB C 50 38.700 38.380 0.320 1
1 478 . 12 1 1 A 50 50 ILE N N 50 121.700 121.312 0.388 1
1 479 . 12 1 1 A 51 51 HIS H H 51 7.400 7.468 -0.068 1
1 480 . 12 1 1 A 51 51 HIS HA H 51 5.300 4.783 0.517 1
1 484 . 12 1 1 A 51 51 HIS C C 51 175.500 172.391 3.109 1
1 485 . 12 1 1 A 51 51 HIS CA C 51 51.800 54.929 -3.129 1
1 486 . 12 1 1 A 51 51 HIS CB C 51 29.700 31.049 -1.349 1
1 487 . 12 1 1 A 51 51 HIS N N 51 115.500 116.848 -1.348 1
1 488 . 12 1 1 A 52 52 PRO HA H 52 4.350 4.424 -0.074 1
1 495 . 12 1 1 A 52 52 PRO C C 52 176.900 176.309 0.591 1
1 496 . 12 1 1 A 52 52 PRO CA C 52 64.800 63.127 1.673 1
1 497 . 12 1 1 A 52 52 PRO CB C 52 31.300 32.291 -0.991 1
1 500 . 12 1 1 A 53 53 ASP H H 53 8.070 8.387 -0.317 1
1 501 . 12 1 1 A 53 53 ASP HA H 53 4.760 4.662 0.098 1
1 504 . 12 1 1 A 53 53 ASP C C 53 176.900 176.848 0.052 1
1 505 . 12 1 1 A 53 53 ASP CA C 53 52.100 55.413 -3.313 1
1 506 . 12 1 1 A 53 53 ASP CB C 53 39.700 41.771 -2.071 1
1 507 . 12 1 1 A 53 53 ASP N N 53 114.300 121.875 -7.575 1
1 508 . 12 1 1 A 54 54 SER H H 54 7.720 7.928 -0.208 1
1 509 . 12 1 1 A 54 54 SER HA H 54 4.040 4.749 -0.709 1
1 512 . 12 1 1 A 54 54 SER C C 54 173.200 174.060 -0.860 1
1 513 . 12 1 1 A 54 54 SER CA C 54 64.100 58.251 5.849 1
1 514 . 12 1 1 A 54 54 SER CB C 54 64.200 65.555 -1.355 1
1 515 . 12 1 1 A 54 54 SER N N 54 116.300 113.146 3.154 1
1 516 . 12 1 1 A 55 55 VAL H H 55 7.360 7.397 -0.037 1
1 517 . 12 1 1 A 55 55 VAL HA H 55 5.280 4.469 0.811 1
1 525 . 12 1 1 A 55 55 VAL C C 55 175.700 174.842 0.858 1
1 526 . 12 1 1 A 55 55 VAL CA C 55 57.300 60.696 -3.396 1
1 527 . 12 1 1 A 55 55 VAL CB C 55 34.800 33.617 1.183 1
1 530 . 12 1 1 A 55 55 VAL N N 55 105.200 118.677 -13.477 1
1 531 . 12 1 1 A 56 56 THR H H 56 8.780 8.365 0.415 1
1 532 . 12 1 1 A 56 56 THR HA H 56 4.530 4.823 -0.293 1
1 537 . 12 1 1 A 56 56 THR C C 56 173.800 172.771 1.029 1
1 538 . 12 1 1 A 56 56 THR CA C 56 60.500 60.092 0.408 1
1 539 . 12 1 1 A 56 56 THR CB C 56 70.400 70.516 -0.116 1
1 541 . 12 1 1 A 56 56 THR N N 56 116.000 119.144 -3.144 1
1 542 . 12 1 1 A 57 57 LYS H H 57 8.610 8.743 -0.133 1
1 543 . 12 1 1 A 57 57 LYS HA H 57 5.490 5.273 0.217 1
1 550 . 12 1 1 A 57 57 LYS C C 57 176.000 174.679 1.321 1
1 551 . 12 1 1 A 57 57 LYS CA C 57 54.600 54.134 0.466 1
1 552 . 12 1 1 A 57 57 LYS CB C 57 36.000 36.901 -0.901 1
1 556 . 12 1 1 A 57 57 LYS N N 57 121.900 120.443 1.457 1
1 557 . 12 1 1 A 58 58 CYS H H 58 8.610 9.103 -0.493 1
1 558 . 12 1 1 A 58 58 CYS HA H 58 5.100 5.068 0.032 1
1 561 . 12 1 1 A 58 58 CYS CA C 58 55.200 56.271 -1.071 1
1 562 . 12 1 1 A 58 58 CYS CB C 58 29.700 30.640 -0.940 1
1 563 . 12 1 1 A 58 58 CYS N N 58 120.600 117.702 2.898 1
1 564 . 12 1 1 A 59 59 PRO HA H 59 4.590 4.525 0.065 1
1 571 . 12 1 1 A 59 59 PRO C C 59 176.600 176.872 -0.272 1
1 572 . 12 1 1 A 59 59 PRO CA C 59 63.700 62.300 1.400 1
1 573 . 12 1 1 A 59 59 PRO CB C 59 32.100 31.955 0.145 1
1 576 . 12 1 1 A 60 60 GLU H H 60 8.630 8.319 0.311 1
1 577 . 12 1 1 A 60 60 GLU HA H 60 4.450 4.528 -0.078 1
1 582 . 12 1 1 A 60 60 GLU C C 60 176.900 177.241 -0.341 1
1 583 . 12 1 1 A 60 60 GLU CA C 60 55.700 56.318 -0.618 1
1 584 . 12 1 1 A 60 60 GLU CB C 60 30.500 30.428 0.072 1
1 586 . 12 1 1 A 60 60 GLU N N 60 123.900 121.338 2.562 1
1 587 . 12 1 1 A 61 61 LYS H H 61 8.780 8.497 0.283 1
1 588 . 12 1 1 A 61 61 LYS HA H 61 3.930 4.476 -0.546 1
1 596 . 12 1 1 A 61 61 LYS C C 61 177.100 178.001 -0.901 1
1 597 . 12 1 1 A 61 61 LYS CA C 61 58.300 57.510 0.790 1
1 598 . 12 1 1 A 61 61 LYS CB C 61 31.900 33.624 -1.724 1
1 602 . 12 1 1 A 61 61 LYS N N 61 127.000 120.279 6.721 1
1 603 . 12 1 1 A 62 62 ASN H H 62 8.870 8.420 0.450 1
1 604 . 12 1 1 A 62 62 ASN HA H 62 4.520 4.601 -0.081 1
1 609 . 12 1 1 A 62 62 ASN C C 62 174.400 175.534 -1.134 1
1 610 . 12 1 1 A 62 62 ASN CA C 62 54.000 53.962 0.038 1
1 611 . 12 1 1 A 62 62 ASN CB C 62 38.000 37.468 0.532 1
1 612 . 12 1 1 A 62 62 ASN N N 62 117.000 116.986 0.014 1
1 613 . 12 1 1 A 63 63 ARG H H 63 7.430 7.702 -0.272 1
1 614 . 12 1 1 A 63 63 ARG HA H 63 4.810 4.788 0.022 1
1 622 . 12 1 1 A 63 63 ARG C C 63 172.300 174.322 -2.022 1
1 623 . 12 1 1 A 63 63 ARG CA C 63 53.800 53.702 0.098 1
1 624 . 12 1 1 A 63 63 ARG CB C 63 31.300 30.898 0.402 1
1 627 . 12 1 1 A 63 63 ARG N N 63 119.200 119.662 -0.462 1
1 629 . 12 1 1 A 64 64 PRO HA H 64 4.350 4.518 -0.168 1
1 636 . 12 1 1 A 64 64 PRO C C 64 176.900 175.965 0.935 1
1 637 . 12 1 1 A 64 64 PRO CA C 64 64.200 62.897 1.303 1
1 638 . 12 1 1 A 64 64 PRO CB C 64 31.800 29.818 1.982 1
1 641 . 12 1 1 A 65 65 GLU H H 65 9.210 8.626 0.584 1
1 642 . 12 1 1 A 65 65 GLU HA H 65 4.280 4.407 -0.127 1
1 647 . 12 1 1 A 65 65 GLU C C 65 174.300 174.944 -0.644 1
1 648 . 12 1 1 A 65 65 GLU CA C 65 56.600 56.065 0.535 1
1 649 . 12 1 1 A 65 65 GLU CB C 65 28.200 31.668 -3.468 1
1 651 . 12 1 1 A 65 65 GLU N N 65 117.000 120.117 -3.117 1
1 652 . 12 1 1 A 66 66 ALA H H 66 8.040 7.082 0.958 1
1 653 . 12 1 1 A 66 66 ALA HA H 66 5.230 4.249 0.981 1
1 657 . 12 1 1 A 66 66 ALA C C 66 174.900 174.956 -0.056 1
1 658 . 12 1 1 A 66 66 ALA CA C 66 50.300 51.219 -0.919 1
1 659 . 12 1 1 A 66 66 ALA CB C 66 22.200 21.854 0.346 1
1 660 . 12 1 1 A 66 66 ALA N N 66 124.800 119.360 5.440 1
1 661 . 12 1 1 A 67 67 LEU H H 67 8.710 8.184 0.526 1
1 662 . 12 1 1 A 67 67 LEU HA H 67 4.800 5.275 -0.475 1
1 672 . 12 1 1 A 67 67 LEU C C 67 177.200 175.552 1.648 1
1 673 . 12 1 1 A 67 67 LEU CA C 67 52.800 52.510 0.290 1
1 674 . 12 1 1 A 67 67 LEU CB C 67 43.200 45.857 -2.657 1
1 678 . 12 1 1 A 67 67 LEU N N 67 120.400 115.049 5.351 1
1 679 . 12 1 1 A 68 68 LYS H H 68 9.180 8.982 0.198 1
1 680 . 12 1 1 A 68 68 LYS HA H 68 4.050 4.635 -0.585 1
1 689 . 12 1 1 A 68 68 LYS C C 68 176.900 175.231 1.669 1
1 690 . 12 1 1 A 68 68 LYS CA C 68 57.100 54.307 2.793 1
1 691 . 12 1 1 A 68 68 LYS CB C 68 32.600 35.500 -2.900 1
1 695 . 12 1 1 A 68 68 LYS N N 68 125.300 118.816 6.484 1
1 696 . 12 1 1 A 69 69 VAL H H 69 8.150 8.904 -0.754 1
1 697 . 12 1 1 A 69 69 VAL HA H 69 5.240 4.991 0.249 1
1 705 . 12 1 1 A 69 69 VAL C C 69 174.900 174.629 0.271 1
1 706 . 12 1 1 A 69 69 VAL CA C 69 59.900 60.927 -1.027 1
1 707 . 12 1 1 A 69 69 VAL CB C 69 34.700 34.680 0.020 1
1 710 . 12 1 1 A 69 69 VAL N N 69 121.600 122.019 -0.419 1
1 711 . 12 1 1 A 70 70 SER H H 70 8.610 8.841 -0.231 1
1 712 . 12 1 1 A 70 70 SER HA H 70 5.210 5.300 -0.090 1
1 715 . 12 1 1 A 70 70 SER C C 70 171.900 172.371 -0.471 1
1 716 . 12 1 1 A 70 70 SER CA C 70 56.600 57.267 -0.667 1
1 717 . 12 1 1 A 70 70 SER CB C 70 65.600 66.343 -0.743 1
1 718 . 12 1 1 A 70 70 SER N N 70 120.600 120.869 -0.269 1
1 719 . 12 1 1 A 71 71 CYS H H 71 9.280 8.580 0.700 1
1 720 . 12 1 1 A 71 71 CYS HA H 71 4.130 4.659 -0.529 1
1 723 . 12 1 1 A 71 71 CYS C C 71 178.600 175.357 3.243 1
1 724 . 12 1 1 A 71 71 CYS CA C 71 61.600 57.974 3.626 1
1 725 . 12 1 1 A 71 71 CYS CB C 71 31.300 27.189 4.111 1
1 726 . 12 1 1 A 71 71 CYS N N 71 126.700 122.969 3.731 1
1 727 . 12 1 1 A 72 72 GLY H H 72 9.140 8.162 0.978 1
1 728 . 12 1 1 A 72 72 GLY HA2 H 72 3.760 3.875 -0.115 1
1 729 . 12 1 1 A 72 72 GLY HA3 H 72 3.670 3.875 -0.205 1
1 730 . 12 1 1 A 72 72 GLY C C 72 172.500 175.942 -3.442 1
1 731 . 12 1 1 A 72 72 GLY CA C 72 46.200 47.218 -1.018 1
1 732 . 12 1 1 A 72 72 GLY N N 72 120.100 113.749 6.351 1
1 733 . 12 1 1 A 73 73 LYS H H 73 9.090 8.129 0.961 1
1 734 . 12 1 1 A 73 73 LYS HA H 73 4.210 4.047 0.163 1
1 742 . 12 1 1 A 73 73 LYS C C 73 177.600 178.258 -0.658 1
1 743 . 12 1 1 A 73 73 LYS CA C 73 56.600 59.092 -2.492 1
1 744 . 12 1 1 A 73 73 LYS CB C 73 32.700 32.114 0.586 1
1 748 . 12 1 1 A 73 73 LYS N N 73 124.400 120.882 3.518 1
1 749 . 12 1 1 A 74 74 CYS H H 74 8.590 7.553 1.037 1
1 750 . 12 1 1 A 74 74 CYS HA H 74 4.910 4.615 0.295 1
1 753 . 12 1 1 A 74 74 CYS C C 74 177.400 175.174 2.226 1
1 754 . 12 1 1 A 74 74 CYS CA C 74 58.900 59.148 -0.248 1
1 755 . 12 1 1 A 74 74 CYS CB C 74 33.300 30.142 3.158 1
1 756 . 12 1 1 A 74 74 CYS N N 74 119.700 114.815 4.885 1
1 757 . 12 1 1 A 75 75 GLY H H 75 7.760 8.778 -1.018 1
1 758 . 12 1 1 A 75 75 GLY HA2 H 75 4.210 3.993 0.217 1
1 759 . 12 1 1 A 75 75 GLY HA3 H 75 3.750 3.997 -0.247 1
1 760 . 12 1 1 A 75 75 GLY C C 75 174.000 174.213 -0.213 1
1 761 . 12 1 1 A 75 75 GLY CA C 75 46.100 46.427 -0.327 1
1 762 . 12 1 1 A 75 75 GLY N N 75 113.000 109.837 3.163 1
1 763 . 12 1 1 A 76 76 ASN H H 76 9.050 7.673 1.377 1
1 764 . 12 1 1 A 76 76 ASN HA H 76 4.500 5.089 -0.589 1
1 769 . 12 1 1 A 76 76 ASN C C 76 178.700 173.987 4.713 1
1 770 . 12 1 1 A 76 76 ASN CA C 76 54.700 51.531 3.169 1
1 771 . 12 1 1 A 76 76 ASN CB C 76 39.800 40.530 -0.730 1
1 772 . 12 1 1 A 76 76 ASN N N 76 123.700 118.558 5.142 1
1 774 . 12 1 1 A 77 77 GLY H H 77 8.660 8.478 0.182 1
1 775 . 12 1 1 A 77 77 GLY HA2 H 77 3.970 4.263 -0.293 1
1 776 . 12 1 1 A 77 77 GLY HA3 H 77 3.710 4.303 -0.593 1
1 777 . 12 1 1 A 77 77 GLY C C 77 173.800 174.571 -0.771 1
1 778 . 12 1 1 A 77 77 GLY CA C 77 47.300 45.607 1.693 1
1 779 . 12 1 1 A 77 77 GLY N N 77 115.600 107.469 8.131 1
1 780 . 12 1 1 A 78 78 LEU H H 78 8.600 8.305 0.295 1
1 781 . 12 1 1 A 78 78 LEU HA H 78 4.810 4.702 0.108 1
1 791 . 12 1 1 A 78 78 LEU C C 78 173.800 176.903 -3.103 1
1 792 . 12 1 1 A 78 78 LEU CA C 78 54.900 54.942 -0.042 1
1 793 . 12 1 1 A 78 78 LEU CB C 78 45.000 44.227 0.773 1
1 797 . 12 1 1 A 78 78 LEU N N 78 122.700 118.615 4.085 1
1 798 . 12 1 1 A 79 79 GLY H H 79 7.100 8.158 -1.058 1
1 799 . 12 1 1 A 79 79 GLY HA2 H 79 4.650 4.054 0.596 1
1 800 . 12 1 1 A 79 79 GLY HA3 H 79 3.020 4.157 -1.137 1
1 801 . 12 1 1 A 79 79 GLY C C 79 173.000 173.093 -0.093 1
1 802 . 12 1 1 A 79 79 GLY CA C 79 44.900 44.899 0.001 1
1 803 . 12 1 1 A 79 79 GLY N N 79 102.400 107.946 -5.546 1
1 804 . 12 1 1 A 80 80 HIS H H 80 8.580 9.068 -0.488 1
1 805 . 12 1 1 A 80 80 HIS HA H 80 5.470 5.376 0.094 1
1 810 . 12 1 1 A 80 80 HIS C C 80 172.300 174.120 -1.820 1
1 811 . 12 1 1 A 80 80 HIS CA C 80 55.000 54.707 0.293 1
1 812 . 12 1 1 A 80 80 HIS CB C 80 34.500 34.479 0.021 1
1 813 . 12 1 1 A 80 80 HIS N N 80 122.400 118.881 3.519 1
1 814 . 12 1 1 A 81 81 GLU H H 81 9.260 9.401 -0.141 1
1 815 . 12 1 1 A 81 81 GLU HA H 81 4.100 5.004 -0.904 1
1 820 . 12 1 1 A 81 81 GLU C C 81 174.300 174.886 -0.586 1
1 821 . 12 1 1 A 81 81 GLU CA C 81 54.700 56.038 -1.338 1
1 822 . 12 1 1 A 81 81 GLU CB C 81 31.600 31.658 -0.058 1
1 824 . 12 1 1 A 81 81 GLU N N 81 123.700 121.191 2.509 1
1 825 . 12 1 1 A 82 82 PHE H H 82 9.150 9.152 -0.002 1
1 826 . 12 1 1 A 82 82 PHE HA H 82 5.080 4.766 0.314 1
1 830 . 12 1 1 A 82 82 PHE C C 82 174.300 174.330 -0.030 1
1 831 . 12 1 1 A 82 82 PHE CA C 82 56.700 56.723 -0.023 1
1 832 . 12 1 1 A 82 82 PHE CB C 82 38.800 38.390 0.410 1
1 833 . 12 1 1 A 82 82 PHE N N 82 126.900 129.265 -2.365 1
1 834 . 12 1 1 A 83 83 LEU H H 83 8.280 8.407 -0.127 1
1 835 . 12 1 1 A 83 83 LEU HA H 83 4.100 4.730 -0.630 1
1 845 . 12 1 1 A 83 83 LEU C C 83 176.200 175.171 1.029 1
1 846 . 12 1 1 A 83 83 LEU CA C 83 55.500 53.253 2.247 1
1 847 . 12 1 1 A 83 83 LEU CB C 83 42.000 44.686 -2.686 1
1 849 . 12 1 1 A 83 83 LEU N N 83 126.900 126.656 0.244 1
1 850 . 12 1 1 A 84 84 ASN H H 84 9.260 8.777 0.483 1
1 851 . 12 1 1 A 84 84 ASN HA H 84 4.290 4.394 -0.104 1
1 856 . 12 1 1 A 84 84 ASN C C 84 174.400 174.335 0.065 1
1 857 . 12 1 1 A 84 84 ASN CA C 84 54.800 54.893 -0.093 1
1 858 . 12 1 1 A 84 84 ASN CB C 84 37.900 37.078 0.822 1
1 859 . 12 1 1 A 84 84 ASN N N 84 116.900 118.409 -1.509 1
1 861 . 12 1 1 A 85 85 ASP H H 85 7.140 8.023 -0.883 1
1 862 . 12 1 1 A 85 85 ASP HA H 85 5.200 4.871 0.329 1
1 865 . 12 1 1 A 85 85 ASP C C 85 176.000 176.287 -0.287 1
1 866 . 12 1 1 A 85 85 ASP CA C 85 53.800 54.520 -0.720 1
1 867 . 12 1 1 A 85 85 ASP CB C 85 45.500 42.647 2.853 1
1 868 . 12 1 1 A 85 85 ASP N N 85 117.200 118.054 -0.854 1
1 869 . 12 1 1 A 86 86 GLY H H 86 8.230 8.087 0.143 1
1 870 . 12 1 1 A 86 86 GLY HA2 H 86 4.140 4.506 -0.366 1
1 871 . 12 1 1 A 86 86 GLY HA3 H 86 3.280 4.518 -1.238 1
1 872 . 12 1 1 A 86 86 GLY C C 86 171.700 173.913 -2.213 1
1 873 . 12 1 1 A 86 86 GLY CA C 86 44.600 46.363 -1.763 1
1 874 . 12 1 1 A 86 86 GLY N N 86 107.600 106.680 0.920 1
1 875 . 12 1 1 A 87 87 PRO HA H 87 4.190 4.421 -0.231 1
1 882 . 12 1 1 A 87 87 PRO C C 87 177.000 178.264 -1.264 1
1 883 . 12 1 1 A 87 87 PRO CA C 87 65.200 64.561 0.639 1
1 884 . 12 1 1 A 87 87 PRO CB C 87 31.700 31.984 -0.284 1
1 887 . 12 1 1 A 88 88 LYS H H 88 7.310 8.103 -0.793 1
1 888 . 12 1 1 A 88 88 LYS HA H 88 4.480 4.350 0.130 1
1 897 . 12 1 1 A 88 88 LYS C C 88 175.700 177.358 -1.658 1
1 898 . 12 1 1 A 88 88 LYS CA C 88 53.700 58.369 -4.669 1
1 899 . 12 1 1 A 88 88 LYS CB C 88 34.900 32.915 1.985 1
1 903 . 12 1 1 A 88 88 LYS N N 88 116.200 116.505 -0.305 1
1 904 . 12 1 1 A 89 89 ARG H H 89 8.320 7.654 0.666 1
1 905 . 12 1 1 A 89 89 ARG HA H 89 4.010 4.382 -0.372 1
1 912 . 12 1 1 A 89 89 ARG C C 89 177.500 177.567 -0.067 1
1 913 . 12 1 1 A 89 89 ARG CA C 89 57.900 56.800 1.100 1
1 914 . 12 1 1 A 89 89 ARG CB C 89 32.100 31.028 1.072 1
1 917 . 12 1 1 A 89 89 ARG N N 89 122.200 119.314 2.886 1
1 919 . 12 1 1 A 90 90 GLY H H 90 8.950 8.646 0.304 1
1 920 . 12 1 1 A 90 90 GLY HA2 H 90 4.240 3.926 0.314 1
1 921 . 12 1 1 A 90 90 GLY HA3 H 90 3.850 3.935 -0.085 1
1 922 . 12 1 1 A 90 90 GLY C C 90 175.000 174.187 0.813 1
1 923 . 12 1 1 A 90 90 GLY CA C 90 45.100 45.277 -0.177 1
1 924 . 12 1 1 A 90 90 GLY N N 90 115.100 111.560 3.540 1
1 925 . 12 1 1 A 91 91 GLN H H 91 8.120 7.633 0.487 1
1 926 . 12 1 1 A 91 91 GLN HA H 91 4.580 4.204 0.376 1
1 933 . 12 1 1 A 91 91 GLN C C 91 177.000 175.331 1.669 1
1 934 . 12 1 1 A 91 91 GLN CA C 91 55.900 57.136 -1.236 1
1 935 . 12 1 1 A 91 91 GLN CB C 91 31.000 29.389 1.611 1
1 937 . 12 1 1 A 91 91 GLN N N 91 120.900 120.610 0.290 1
1 938 . 12 1 1 A 92 92 SER H H 92 9.210 8.896 0.314 1
1 939 . 12 1 1 A 92 92 SER HA H 92 4.820 5.125 -0.305 1
1 942 . 12 1 1 A 92 92 SER C C 92 171.600 173.141 -1.541 1
1 943 . 12 1 1 A 92 92 SER CA C 92 57.700 57.852 -0.152 1
1 944 . 12 1 1 A 92 92 SER CB C 92 65.200 65.941 -0.741 1
1 945 . 12 1 1 A 92 92 SER N N 92 120.900 117.075 3.825 1
1 946 . 12 1 1 A 93 93 ARG H H 93 7.820 8.518 -0.698 1
1 947 . 12 1 1 A 93 93 ARG HA H 93 4.950 5.233 -0.283 1
1 952 . 12 1 1 A 93 93 ARG C C 93 176.400 174.490 1.910 1
1 953 . 12 1 1 A 93 93 ARG CA C 93 55.200 54.680 0.520 1
1 954 . 12 1 1 A 93 93 ARG CB C 93 34.600 33.360 1.240 1
1 957 . 12 1 1 A 93 93 ARG N N 93 117.800 122.605 -4.805 1
1 958 . 12 1 1 A 94 94 PHE H H 94 9.860 9.298 0.562 1
1 959 . 12 1 1 A 94 94 PHE HA H 94 4.780 5.476 -0.696 1
1 962 . 12 1 1 A 94 94 PHE C C 94 176.400 173.286 3.114 1
1 963 . 12 1 1 A 94 94 PHE CA C 94 58.300 55.659 2.641 1
1 964 . 12 1 1 A 94 94 PHE CB C 94 38.500 41.857 -3.357 1
1 965 . 12 1 1 A 94 94 PHE N N 94 127.100 124.370 2.730 1
1 966 . 12 1 1 A 95 95 CYS H H 95 9.190 8.875 0.315 1
1 967 . 12 1 1 A 95 95 CYS HA H 95 4.810 5.156 -0.346 1
1 970 . 12 1 1 A 95 95 CYS CA C 95 57.300 56.749 0.551 1
1 971 . 12 1 1 A 95 95 CYS CB C 95 28.700 30.088 -1.388 1
1 972 . 12 1 1 A 95 95 CYS N N 95 128.200 127.446 0.754 1
1 973 . 12 1 1 A 96 96 ILE H H 96 7.510 8.780 -1.270 1
1 974 . 12 1 1 A 96 96 ILE HA H 96 4.620 4.403 0.217 1
1 983 . 12 1 1 A 96 96 ILE C C 96 173.700 175.072 -1.372 1
1 984 . 12 1 1 A 96 96 ILE CA C 96 55.800 58.996 -3.196 1
1 985 . 12 1 1 A 96 96 ILE CB C 96 39.900 39.574 0.326 1
1 989 . 12 1 1 A 96 96 ILE N N 96 130.700 125.394 5.306 1
1 990 . 12 1 1 A 97 97 PHE H H 97 8.040 7.769 0.271 1
1 991 . 12 1 1 A 97 97 PHE HA H 97 4.920 4.497 0.423 1
1 994 . 12 1 1 A 97 97 PHE C C 97 178.800 176.744 2.056 1
1 995 . 12 1 1 A 97 97 PHE CA C 97 57.500 58.629 -1.129 1
1 996 . 12 1 1 A 97 97 PHE CB C 97 38.400 39.313 -0.913 1
1 997 . 12 1 1 A 97 97 PHE N N 97 122.400 122.999 -0.599 1
1 998 . 12 1 1 A 98 98 SER HA H 98 4.380 4.421 -0.041 1
1 1001 . 12 1 1 A 98 98 SER C C 98 176.400 175.870 0.530 1
1 1002 . 12 1 1 A 98 98 SER CA C 98 64.900 59.981 4.919 1
1 1003 . 12 1 1 A 98 98 SER CB C 98 63.600 63.865 -0.265 1
1 1004 . 12 1 1 A 99 99 SER H H 99 9.360 7.905 1.455 1
1 1005 . 12 1 1 A 99 99 SER HA H 99 4.300 4.505 -0.205 1
1 1008 . 12 1 1 A 99 99 SER C C 99 175.800 176.766 -0.966 1
1 1009 . 12 1 1 A 99 99 SER CA C 99 60.200 60.827 -0.627 1
1 1010 . 12 1 1 A 99 99 SER CB C 99 62.700 63.438 -0.738 1
1 1011 . 12 1 1 A 99 99 SER N N 99 114.100 117.078 -2.978 1
1 1012 . 12 1 1 A 100 100 SER H H 100 8.150 8.062 0.088 1
1 1013 . 12 1 1 A 100 100 SER HA H 100 4.630 4.220 0.410 1
1 1016 . 12 1 1 A 100 100 SER C C 100 173.500 174.353 -0.853 1
1 1017 . 12 1 1 A 100 100 SER CA C 100 60.400 61.444 -1.044 1
1 1018 . 12 1 1 A 100 100 SER CB C 100 63.600 63.054 0.546 1
1 1019 . 12 1 1 A 100 100 SER N N 100 118.700 114.638 4.062 1
1 1020 . 12 1 1 A 101 101 LEU H H 101 8.100 7.829 0.271 1
1 1021 . 12 1 1 A 101 101 LEU HA H 101 5.570 5.147 0.423 1
1 1031 . 12 1 1 A 101 101 LEU C C 101 176.000 175.831 0.169 1
1 1032 . 12 1 1 A 101 101 LEU CA C 101 53.400 52.912 0.488 1
1 1033 . 12 1 1 A 101 101 LEU CB C 101 46.700 45.252 1.448 1
1 1036 . 12 1 1 A 101 101 LEU N N 101 122.000 116.815 5.185 1
1 1037 . 12 1 1 A 102 102 LYS H H 102 8.950 8.657 0.293 1
1 1038 . 12 1 1 A 102 102 LYS HA H 102 4.710 4.902 -0.192 1
1 1045 . 12 1 1 A 102 102 LYS C C 102 174.400 175.019 -0.619 1
1 1046 . 12 1 1 A 102 102 LYS CA C 102 55.400 54.500 0.900 1
1 1047 . 12 1 1 A 102 102 LYS CB C 102 36.500 35.708 0.792 1
1 1051 . 12 1 1 A 102 102 LYS N N 102 119.500 119.706 -0.206 1
1 1052 . 12 1 1 A 103 103 PHE H H 103 9.010 8.873 0.137 1
1 1053 . 12 1 1 A 103 103 PHE HA H 103 4.750 5.246 -0.496 1
1 1056 . 12 1 1 A 103 103 PHE C C 103 173.900 173.554 0.346 1
1 1057 . 12 1 1 A 103 103 PHE CA C 103 57.100 55.155 1.945 1
1 1058 . 12 1 1 A 103 103 PHE CB C 103 41.300 41.951 -0.651 1
1 1059 . 12 1 1 A 103 103 PHE N N 103 124.500 123.364 1.136 1
1 1060 . 12 1 1 A 104 104 VAL H H 104 8.550 8.895 -0.345 1
1 1061 . 12 1 1 A 104 104 VAL HA H 104 4.140 4.605 -0.465 1
1 1069 . 12 1 1 A 104 104 VAL C C 104 172.800 173.556 -0.756 1
1 1070 . 12 1 1 A 104 104 VAL CA C 104 58.800 58.523 0.277 1
1 1071 . 12 1 1 A 104 104 VAL CB C 104 32.300 32.893 -0.593 1
1 1074 . 12 1 1 A 104 104 VAL N N 104 132.000 127.980 4.020 1
1 1075 . 12 1 1 A 105 105 PRO HA H 105 4.110 4.235 -0.125 1
1 1082 . 12 1 1 A 105 105 PRO C C 105 176.400 175.241 1.159 1
1 1083 . 12 1 1 A 105 105 PRO CA C 105 62.400 62.421 -0.021 1
1 1084 . 12 1 1 A 105 105 PRO CB C 105 32.400 32.469 -0.069 1
1 1087 . 12 1 1 A 106 106 LYS H H 106 7.900 8.629 -0.729 1
1 1088 . 12 1 1 A 106 106 LYS HA H 106 4.170 4.644 -0.474 1
1 1096 . 12 1 1 A 106 106 LYS C C 106 176.900 175.652 1.248 1
1 1097 . 12 1 1 A 106 106 LYS CA C 106 56.700 54.672 2.028 1
1 1098 . 12 1 1 A 106 106 LYS CB C 106 33.500 35.206 -1.706 1
1 1102 . 12 1 1 A 106 106 LYS N N 106 123.200 122.620 0.580 1
1 1103 . 12 1 1 A 107 107 GLY H H 107 8.740 8.756 -0.016 1
1 1104 . 12 1 1 A 107 107 GLY HA2 H 107 3.930 3.964 -0.034 1
1 1105 . 12 1 1 A 107 107 GLY HA3 H 107 3.960 4.006 -0.046 1
1 1106 . 12 1 1 A 107 107 GLY C C 107 174.000 175.262 -1.262 1
1 1107 . 12 1 1 A 107 107 GLY CA C 107 45.000 46.997 -1.997 1
1 1108 . 12 1 1 A 107 107 GLY N N 107 113.500 109.349 4.151 1
1 1109 . 12 1 1 A 108 108 LYS H H 108 8.240 8.132 0.108 1
1 1110 . 12 1 1 A 108 108 LYS HA H 108 4.290 4.046 0.244 1
1 1118 . 12 1 1 A 108 108 LYS C C 108 176.700 178.958 -2.258 1
1 1119 . 12 1 1 A 108 108 LYS CA C 108 56.000 58.897 -2.897 1
1 1120 . 12 1 1 A 108 108 LYS CB C 108 32.700 32.341 0.359 1
1 1124 . 12 1 1 A 108 108 LYS N N 108 121.500 119.018 2.482 1
1 1125 . 12 1 1 A 109 109 GLU H H 109 8.650 8.003 0.647 1
1 1126 . 12 1 1 A 109 109 GLU HA H 109 4.180 4.094 0.086 1
1 1131 . 12 1 1 A 109 109 GLU C C 109 176.500 176.289 0.211 1
1 1132 . 12 1 1 A 109 109 GLU CA C 109 56.600 59.273 -2.673 1
1 1133 . 12 1 1 A 109 109 GLU CB C 109 29.900 29.470 0.430 1
1 1135 . 12 1 1 A 109 109 GLU N N 109 122.800 119.415 3.385 1
1 1136 . 12 1 1 A 110 110 ALA H H 110 8.400 7.777 0.623 1
1 1137 . 12 1 1 A 110 110 ALA HA H 110 4.190 3.828 0.362 1
1 1141 . 12 1 1 A 110 110 ALA CA C 110 52.500 54.118 -1.618 1
1 1142 . 12 1 1 A 110 110 ALA CB C 110 19.000 17.922 1.078 1
1 1143 . 12 1 1 A 110 110 ALA N N 110 126.100 121.343 4.757 1
1 1144 . 12 1 1 A 111 111 ALA H H 111 8.240 8.504 -0.264 1
1 1145 . 12 1 1 A 111 111 ALA HA H 111 4.220 3.844 0.376 1
1 1149 . 12 1 1 A 111 111 ALA C C 111 177.800 176.871 0.929 1
1 1150 . 12 1 1 A 111 111 ALA CA C 111 52.600 54.069 -1.469 1
1 1151 . 12 1 1 A 111 111 ALA CB C 111 19.000 18.066 0.934 1
1 1152 . 12 1 1 A 111 111 ALA N N 111 123.800 119.154 4.646 1
1 1153 . 12 1 1 A 112 112 ALA H H 112 8.220 8.606 -0.386 1
1 1154 . 12 1 1 A 112 112 ALA HA H 112 4.250 4.146 0.104 1
1 1158 . 12 1 1 A 112 112 ALA C C 112 178.100 176.504 1.596 1
1 1159 . 12 1 1 A 112 112 ALA CA C 112 52.600 54.145 -1.545 1
1 1160 . 12 1 1 A 112 112 ALA CB C 112 19.100 18.362 0.738 1
1 1161 . 12 1 1 A 112 112 ALA N N 112 123.600 120.355 3.245 1
1 1162 . 12 1 1 A 113 113 SER H H 113 8.200 8.569 -0.369 1
1 1163 . 12 1 1 A 113 113 SER HA H 113 4.360 5.075 -0.715 1
1 1166 . 12 1 1 A 113 113 SER C C 113 174.800 172.429 2.371 1
1 1167 . 12 1 1 A 113 113 SER CA C 113 58.300 57.988 0.312 1
1 1168 . 12 1 1 A 113 113 SER CB C 113 63.500 65.861 -2.361 1
1 1169 . 12 1 1 A 113 113 SER N N 113 115.400 113.009 2.391 1
1 1170 . 12 1 1 A 114 114 GLN H H 114 8.320 8.865 -0.545 1
1 1171 . 12 1 1 A 114 114 GLN HA H 114 4.290 4.827 -0.537 1
1 1178 . 12 1 1 A 114 114 GLN C C 114 176.500 175.520 0.980 1
1 1179 . 12 1 1 A 114 114 GLN CA C 114 55.900 54.417 1.483 1
1 1180 . 12 1 1 A 114 114 GLN CB C 114 29.300 31.299 -1.999 1
1 1182 . 12 1 1 A 114 114 GLN N N 114 122.500 126.265 -3.765 1
1 1183 . 12 1 1 A 115 115 GLY H H 115 8.370 8.498 -0.128 1
1 1184 . 12 1 1 A 115 115 GLY HA2 H 115 3.850 4.211 -0.361 1
1 1185 . 12 1 1 A 115 115 GLY HA3 H 115 3.850 4.282 -0.432 1
1 1186 . 12 1 1 A 115 115 GLY C C 115 173.900 172.321 1.579 1
1 1187 . 12 1 1 A 115 115 GLY CA C 115 45.400 44.540 0.860 1
1 1188 . 12 1 1 A 115 115 GLY N N 115 110.000 108.235 1.765 1
1 1189 . 12 1 1 A 116 116 HIS H H 116 8.290 8.578 -0.288 1
1 1190 . 12 1 1 A 116 116 HIS HA H 116 4.620 5.663 -1.043 1
1 1195 . 12 1 1 A 116 116 HIS C C 116 174.600 172.961 1.639 1
1 1196 . 12 1 1 A 116 116 HIS CA C 116 55.500 53.872 1.628 1
1 1197 . 12 1 1 A 116 116 HIS CB C 116 29.100 33.794 -4.694 1
1 1198 . 12 1 1 A 116 116 HIS N N 116 119.100 119.538 -0.438 1
1 1199 . 12 1 1 A 117 117 LEU H H 117 8.220 8.893 -0.673 1
1 1200 . 12 1 1 A 117 117 LEU HA H 117 4.240 5.109 -0.869 1
1 1210 . 12 1 1 A 117 117 LEU C C 117 174.600 174.824 -0.224 1
1 1211 . 12 1 1 A 117 117 LEU CA C 117 55.100 53.803 1.297 1
1 1212 . 12 1 1 A 117 117 LEU CB C 117 42.300 46.893 -4.593 1
1 1216 . 12 1 1 A 117 117 LEU N N 117 124.100 121.302 2.798 1
1 1217 . 12 1 1 A 118 118 GLU H H 118 8.350 9.074 -0.724 1
1 1218 . 12 1 1 A 118 118 GLU HA H 118 4.160 5.162 -1.002 1
1 1223 . 12 1 1 A 118 118 GLU C C 118 176.000 175.391 0.609 1
1 1224 . 12 1 1 A 118 118 GLU CA C 118 56.300 55.047 1.253 1
1 1225 . 12 1 1 A 118 118 GLU CB C 118 30.300 34.338 -4.038 1
1 1227 . 12 1 1 A 118 118 GLU N N 118 122.300 120.590 1.710 1
1 1228 . 12 1 1 A 119 119 HIS H H 119 8.410 8.329 0.081 1
1 1229 . 12 1 1 A 119 119 HIS HA H 119 4.570 4.707 -0.137 1
1 1232 . 12 1 1 A 119 119 HIS C C 119 174.500 174.451 0.049 1
1 1233 . 12 1 1 A 119 119 HIS CA C 119 55.400 55.708 -0.308 1
1 1234 . 12 1 1 A 119 119 HIS CB C 119 29.400 31.465 -2.065 1
1 1235 . 12 1 1 A 119 119 HIS N N 119 120.500 116.111 4.389 1
1 1236 . 12 1 1 A 120 120 HIS H H 120 8.530 7.285 1.245 1
1 1237 . 12 1 1 A 120 120 HIS HA H 120 4.640 4.318 0.322 1
1 1240 . 12 1 1 A 120 120 HIS C C 120 174.400 172.866 1.534 1
1 1241 . 12 1 1 A 120 120 HIS CA C 120 57.900 56.309 1.591 1
1 1242 . 12 1 1 A 120 120 HIS CB C 120 29.400 29.610 -0.210 1
1 1 . 13 1 1 A 3 3 PHE HA H 3 4.650 4.506 0.144 1
1 4 . 13 1 1 A 3 3 PHE C C 3 174.500 174.792 -0.292 1
1 5 . 13 1 1 A 3 3 PHE CA C 3 57.800 59.734 -1.934 1
1 6 . 13 1 1 A 3 3 PHE CB C 3 39.600 39.526 0.074 1
1 7 . 13 1 1 A 4 4 CYS H H 4 8.270 8.349 -0.079 1
1 8 . 13 1 1 A 4 4 CYS HA H 4 4.380 4.685 -0.305 1
1 11 . 13 1 1 A 4 4 CYS C C 4 173.800 172.647 1.153 1
1 12 . 13 1 1 A 4 4 CYS CA C 4 58.100 57.005 1.095 1
1 13 . 13 1 1 A 4 4 CYS CB C 4 28.100 30.707 -2.607 1
1 14 . 13 1 1 A 4 4 CYS N N 4 122.600 125.124 -2.524 1
1 15 . 13 1 1 A 5 5 SER H H 5 8.250 8.577 -0.327 1
1 16 . 13 1 1 A 5 5 SER HA H 5 4.270 4.803 -0.533 1
1 19 . 13 1 1 A 5 5 SER C C 5 173.700 173.799 -0.099 1
1 20 . 13 1 1 A 5 5 SER CA C 5 58.300 56.980 1.320 1
1 21 . 13 1 1 A 5 5 SER CB C 5 63.700 62.907 0.793 1
1 22 . 13 1 1 A 5 5 SER N N 5 119.600 115.162 4.438 1
1 23 . 13 1 1 A 6 6 PHE H H 6 8.010 8.485 -0.475 1
1 24 . 13 1 1 A 6 6 PHE HA H 6 4.560 4.876 -0.316 1
1 28 . 13 1 1 A 6 6 PHE C C 6 173.700 174.796 -1.096 1
1 29 . 13 1 1 A 6 6 PHE CA C 6 57.600 56.555 1.045 1
1 30 . 13 1 1 A 6 6 PHE CB C 6 39.700 43.689 -3.989 1
1 31 . 13 1 1 A 6 6 PHE N N 6 122.500 123.445 -0.945 1
1 32 . 13 1 1 A 7 7 PHE H H 7 8.230 8.459 -0.229 1
1 33 . 13 1 1 A 7 7 PHE HA H 7 4.530 4.662 -0.132 1
1 36 . 13 1 1 A 7 7 PHE C C 7 175.800 176.016 -0.216 1
1 37 . 13 1 1 A 7 7 PHE CA C 7 57.600 56.711 0.889 1
1 38 . 13 1 1 A 7 7 PHE CB C 7 39.700 40.492 -0.792 1
1 39 . 13 1 1 A 7 7 PHE N N 7 123.000 119.252 3.748 1
1 40 . 13 1 1 A 8 8 GLY H H 8 7.870 8.704 -0.834 1
1 41 . 13 1 1 A 8 8 GLY HA2 H 8 3.800 4.306 -0.506 1
1 42 . 13 1 1 A 8 8 GLY HA3 H 8 3.750 4.351 -0.601 1
1 43 . 13 1 1 A 8 8 GLY C C 8 174.300 175.810 -1.510 1
1 44 . 13 1 1 A 8 8 GLY CA C 8 45.300 45.716 -0.416 1
1 45 . 13 1 1 A 8 8 GLY N N 8 111.200 108.060 3.140 1
1 46 . 13 1 1 A 9 9 GLY H H 9 7.930 8.600 -0.670 1
1 47 . 13 1 1 A 9 9 GLY HA2 H 9 3.920 3.916 0.004 1
1 48 . 13 1 1 A 9 9 GLY HA3 H 9 3.850 3.990 -0.140 1
1 49 . 13 1 1 A 9 9 GLY C C 9 175.200 174.192 1.008 1
1 50 . 13 1 1 A 9 9 GLY CA C 9 45.100 47.293 -2.193 1
1 51 . 13 1 1 A 9 9 GLY N N 9 108.400 109.077 -0.677 1
1 52 . 13 1 1 A 10 10 GLU H H 10 8.400 7.881 0.519 1
1 53 . 13 1 1 A 10 10 GLU HA H 10 4.360 4.803 -0.443 1
1 58 . 13 1 1 A 10 10 GLU C C 10 178.400 174.712 3.688 1
1 59 . 13 1 1 A 10 10 GLU CA C 10 54.700 55.717 -1.017 1
1 60 . 13 1 1 A 10 10 GLU CB C 10 36.700 33.407 3.293 1
1 62 . 13 1 1 A 10 10 GLU N N 10 122.600 118.519 4.081 1
1 63 . 13 1 1 A 11 11 VAL H H 11 7.940 8.866 -0.926 1
1 64 . 13 1 1 A 11 11 VAL HA H 11 3.680 4.443 -0.763 1
1 72 . 13 1 1 A 11 11 VAL C C 11 176.600 176.316 0.284 1
1 73 . 13 1 1 A 11 11 VAL CA C 11 63.800 61.509 2.291 1
1 74 . 13 1 1 A 11 11 VAL CB C 11 31.200 32.904 -1.704 1
1 77 . 13 1 1 A 11 11 VAL N N 11 120.300 124.633 -4.333 1
1 78 . 13 1 1 A 12 12 PHE H H 12 7.730 8.168 -0.438 1
1 79 . 13 1 1 A 12 12 PHE HA H 12 5.200 4.693 0.507 1
1 83 . 13 1 1 A 12 12 PHE C C 12 177.100 176.227 0.873 1
1 84 . 13 1 1 A 12 12 PHE CA C 12 55.700 57.530 -1.830 1
1 85 . 13 1 1 A 12 12 PHE CB C 12 38.200 38.219 -0.019 1
1 86 . 13 1 1 A 12 12 PHE N N 12 113.700 121.178 -7.478 1
1 87 . 13 1 1 A 13 13 GLN H H 13 8.080 8.029 0.051 1
1 88 . 13 1 1 A 13 13 GLN HA H 13 3.270 4.514 -1.244 1
1 95 . 13 1 1 A 13 13 GLN C C 13 175.400 177.590 -2.190 1
1 96 . 13 1 1 A 13 13 GLN CA C 13 62.100 57.180 4.920 1
1 97 . 13 1 1 A 13 13 GLN CB C 13 27.100 29.885 -2.785 1
1 99 . 13 1 1 A 13 13 GLN N N 13 126.400 117.938 8.462 1
1 100 . 13 1 1 A 14 14 ASN H H 14 8.580 7.581 0.999 1
1 101 . 13 1 1 A 14 14 ASN HA H 14 5.010 4.817 0.193 1
1 106 . 13 1 1 A 14 14 ASN C C 14 173.000 175.707 -2.707 1
1 107 . 13 1 1 A 14 14 ASN CA C 14 51.500 54.059 -2.559 1
1 108 . 13 1 1 A 14 14 ASN CB C 14 37.900 39.382 -1.482 1
1 109 . 13 1 1 A 14 14 ASN N N 14 115.900 116.114 -0.214 1
1 111 . 13 1 1 A 15 15 HIS H H 15 6.070 7.639 -1.569 1
1 112 . 13 1 1 A 15 15 HIS HA H 15 4.370 4.820 -0.450 1
1 117 . 13 1 1 A 15 15 HIS C C 15 174.400 174.031 0.369 1
1 118 . 13 1 1 A 15 15 HIS CA C 15 56.600 56.035 0.565 1
1 119 . 13 1 1 A 15 15 HIS CB C 15 33.400 31.641 1.759 1
1 120 . 13 1 1 A 15 15 HIS N N 15 120.500 117.186 3.314 1
1 121 . 13 1 1 A 16 16 PHE H H 16 8.880 8.517 0.363 1
1 122 . 13 1 1 A 16 16 PHE HA H 16 4.870 5.184 -0.314 1
1 125 . 13 1 1 A 16 16 PHE C C 16 174.300 174.203 0.097 1
1 126 . 13 1 1 A 16 16 PHE CA C 16 57.100 55.150 1.950 1
1 127 . 13 1 1 A 16 16 PHE CB C 16 39.700 39.248 0.452 1
1 128 . 13 1 1 A 16 16 PHE N N 16 127.200 117.731 9.469 1
1 129 . 13 1 1 A 17 17 GLU H H 17 5.780 8.633 -2.853 1
1 130 . 13 1 1 A 17 17 GLU HA H 17 4.500 4.540 -0.040 1
1 135 . 13 1 1 A 17 17 GLU C C 17 174.300 174.571 -0.271 1
1 136 . 13 1 1 A 17 17 GLU CA C 17 53.500 55.103 -1.603 1
1 137 . 13 1 1 A 17 17 GLU CB C 17 30.700 28.562 2.138 1
1 139 . 13 1 1 A 17 17 GLU N N 17 119.900 125.214 -5.314 1
1 140 . 13 1 1 A 18 18 PRO HA H 18 4.630 4.612 0.018 1
1 147 . 13 1 1 A 18 18 PRO C C 18 178.100 176.992 1.108 1
1 148 . 13 1 1 A 18 18 PRO CA C 18 62.700 62.385 0.315 1
1 149 . 13 1 1 A 18 18 PRO CB C 18 31.400 32.959 -1.559 1
1 152 . 13 1 1 A 19 19 GLY H H 19 8.820 8.433 0.387 1
1 153 . 13 1 1 A 19 19 GLY HA2 H 19 4.500 3.804 0.696 1
1 154 . 13 1 1 A 19 19 GLY HA3 H 19 3.630 3.871 -0.241 1
1 155 . 13 1 1 A 19 19 GLY C C 19 171.000 173.069 -2.069 1
1 156 . 13 1 1 A 19 19 GLY CA C 19 46.200 44.570 1.630 1
1 157 . 13 1 1 A 19 19 GLY N N 19 111.300 108.251 3.049 1
1 158 . 13 1 1 A 20 20 VAL H H 20 8.070 8.254 -0.184 1
1 159 . 13 1 1 A 20 20 VAL HA H 20 4.750 5.031 -0.281 1
1 167 . 13 1 1 A 20 20 VAL C C 20 172.300 174.215 -1.915 1
1 168 . 13 1 1 A 20 20 VAL CA C 20 60.200 60.284 -0.084 1
1 169 . 13 1 1 A 20 20 VAL CB C 20 36.100 35.846 0.254 1
1 172 . 13 1 1 A 20 20 VAL N N 20 120.700 119.765 0.935 1
1 173 . 13 1 1 A 21 21 TYR H H 21 9.560 8.731 0.829 1
1 174 . 13 1 1 A 21 21 TYR HA H 21 5.230 5.412 -0.182 1
1 177 . 13 1 1 A 21 21 TYR C C 21 175.600 175.111 0.489 1
1 178 . 13 1 1 A 21 21 TYR CA C 21 56.800 56.204 0.596 1
1 179 . 13 1 1 A 21 21 TYR CB C 21 39.200 42.170 -2.970 1
1 180 . 13 1 1 A 21 21 TYR N N 21 123.200 122.555 0.645 1
1 181 . 13 1 1 A 22 22 VAL H H 22 9.400 8.528 0.872 1
1 182 . 13 1 1 A 22 22 VAL HA H 22 4.950 4.937 0.013 1
1 190 . 13 1 1 A 22 22 VAL C C 22 174.000 174.328 -0.328 1
1 191 . 13 1 1 A 22 22 VAL CA C 22 57.100 59.325 -2.225 1
1 192 . 13 1 1 A 22 22 VAL CB C 22 33.900 35.981 -2.081 1
1 195 . 13 1 1 A 22 22 VAL N N 22 119.100 116.214 2.886 1
1 196 . 13 1 1 A 23 23 CYS H H 23 9.020 8.719 0.301 1
1 197 . 13 1 1 A 23 23 CYS HA H 23 4.260 4.739 -0.479 1
1 200 . 13 1 1 A 23 23 CYS C C 23 178.700 176.054 2.646 1
1 201 . 13 1 1 A 23 23 CYS CA C 23 60.600 59.044 1.556 1
1 202 . 13 1 1 A 23 23 CYS CB C 23 31.700 28.948 2.752 1
1 203 . 13 1 1 A 23 23 CYS N N 23 123.800 122.628 1.172 1
1 204 . 13 1 1 A 24 24 ALA H H 24 8.760 9.135 -0.375 1
1 205 . 13 1 1 A 24 24 ALA HA H 24 3.840 4.084 -0.244 1
1 209 . 13 1 1 A 24 24 ALA C C 24 177.500 178.103 -0.603 1
1 210 . 13 1 1 A 24 24 ALA CA C 24 55.000 54.342 0.658 1
1 211 . 13 1 1 A 24 24 ALA CB C 24 18.700 18.629 0.071 1
1 212 . 13 1 1 A 24 24 ALA N N 24 131.900 130.463 1.437 1
1 213 . 13 1 1 A 25 25 LYS H H 25 9.200 7.794 1.406 1
1 214 . 13 1 1 A 25 25 LYS HA H 25 4.380 4.481 -0.101 1
1 222 . 13 1 1 A 25 25 LYS C C 25 178.100 178.401 -0.301 1
1 223 . 13 1 1 A 25 25 LYS CA C 25 57.900 57.316 0.584 1
1 224 . 13 1 1 A 25 25 LYS CB C 25 33.500 34.181 -0.681 1
1 228 . 13 1 1 A 25 25 LYS N N 25 120.000 115.571 4.429 1
1 229 . 13 1 1 A 26 26 CYS H H 26 8.730 7.993 0.737 1
1 230 . 13 1 1 A 26 26 CYS HA H 26 5.000 4.422 0.578 1
1 233 . 13 1 1 A 26 26 CYS C C 26 177.000 174.698 2.302 1
1 234 . 13 1 1 A 26 26 CYS CA C 26 59.400 60.841 -1.441 1
1 235 . 13 1 1 A 26 26 CYS CB C 26 32.900 27.878 5.022 1
1 236 . 13 1 1 A 26 26 CYS N N 26 120.900 117.522 3.378 1
1 237 . 13 1 1 A 27 27 SER H H 27 8.170 8.171 -0.001 1
1 238 . 13 1 1 A 27 27 SER HA H 27 4.140 4.471 -0.331 1
1 241 . 13 1 1 A 27 27 SER C C 27 174.800 173.857 0.943 1
1 242 . 13 1 1 A 27 27 SER CA C 27 60.900 59.274 1.626 1
1 243 . 13 1 1 A 27 27 SER CB C 27 61.600 61.082 0.518 1
1 244 . 13 1 1 A 27 27 SER N N 27 115.800 115.243 0.557 1
1 245 . 13 1 1 A 28 28 TYR H H 28 9.010 7.874 1.136 1
1 246 . 13 1 1 A 28 28 TYR HA H 28 4.420 4.887 -0.467 1
1 249 . 13 1 1 A 28 28 TYR C C 28 176.600 174.857 1.743 1
1 250 . 13 1 1 A 28 28 TYR CA C 28 59.300 56.467 2.833 1
1 251 . 13 1 1 A 28 28 TYR CB C 28 39.600 40.092 -0.492 1
1 252 . 13 1 1 A 28 28 TYR N N 28 127.100 122.128 4.972 1
1 253 . 13 1 1 A 29 29 GLU H H 29 7.730 8.710 -0.980 1
1 254 . 13 1 1 A 29 29 GLU HA H 29 3.670 4.616 -0.946 1
1 259 . 13 1 1 A 29 29 GLU C C 29 174.900 176.647 -1.747 1
1 260 . 13 1 1 A 29 29 GLU CA C 29 58.700 56.971 1.729 1
1 261 . 13 1 1 A 29 29 GLU CB C 29 29.800 29.957 -0.157 1
1 263 . 13 1 1 A 29 29 GLU N N 29 124.500 127.489 -2.989 1
1 264 . 13 1 1 A 30 30 LEU H H 30 7.940 8.968 -1.028 1
1 265 . 13 1 1 A 30 30 LEU HA H 30 4.140 5.025 -0.885 1
1 274 . 13 1 1 A 30 30 LEU C C 30 175.400 175.530 -0.130 1
1 275 . 13 1 1 A 30 30 LEU CA C 30 56.200 53.393 2.807 1
1 276 . 13 1 1 A 30 30 LEU CB C 30 46.700 45.384 1.316 1
1 277 . 13 1 1 A 30 30 LEU N N 30 121.800 121.647 0.153 1
1 278 . 13 1 1 A 31 31 PHE H H 31 7.880 8.689 -0.809 1
1 279 . 13 1 1 A 31 31 PHE HA H 31 4.720 4.815 -0.095 1
1 282 . 13 1 1 A 31 31 PHE C C 31 174.600 173.295 1.305 1
1 283 . 13 1 1 A 31 31 PHE CA C 31 56.600 58.310 -1.710 1
1 284 . 13 1 1 A 31 31 PHE CB C 31 45.300 42.454 2.846 1
1 285 . 13 1 1 A 31 31 PHE N N 31 113.300 122.354 -9.054 1
1 286 . 13 1 1 A 32 32 SER H H 32 10.030 8.328 1.702 1
1 287 . 13 1 1 A 32 32 SER HA H 32 4.860 4.734 0.126 1
1 290 . 13 1 1 A 32 32 SER CA C 32 57.000 56.738 0.262 1
1 291 . 13 1 1 A 32 32 SER CB C 32 63.700 65.485 -1.785 1
1 292 . 13 1 1 A 32 32 SER N N 32 118.700 123.715 -5.015 1
1 293 . 13 1 1 A 33 33 SER H H 33 8.990 8.920 0.070 1
1 294 . 13 1 1 A 33 33 SER HA H 33 4.840 4.135 0.705 1
1 297 . 13 1 1 A 33 33 SER C C 33 177.300 175.794 1.506 1
1 298 . 13 1 1 A 33 33 SER CA C 33 63.700 60.641 3.059 1
1 299 . 13 1 1 A 33 33 SER CB C 33 63.700 63.300 0.400 1
1 300 . 13 1 1 A 33 33 SER N N 33 123.100 118.462 4.638 1
1 301 . 13 1 1 A 34 34 HIS HA H 34 4.710 4.430 0.280 1
1 304 . 13 1 1 A 34 34 HIS C C 34 175.800 177.484 -1.684 1
1 305 . 13 1 1 A 34 34 HIS CA C 34 57.900 58.716 -0.816 1
1 306 . 13 1 1 A 34 34 HIS CB C 34 28.600 29.711 -1.111 1
1 307 . 13 1 1 A 35 35 SER H H 35 7.960 7.561 0.399 1
1 308 . 13 1 1 A 35 35 SER HA H 35 4.820 4.237 0.583 1
1 311 . 13 1 1 A 35 35 SER C C 35 173.200 174.163 -0.963 1
1 312 . 13 1 1 A 35 35 SER CA C 35 58.100 60.048 -1.948 1
1 313 . 13 1 1 A 35 35 SER CB C 35 65.300 62.862 2.438 1
1 314 . 13 1 1 A 35 35 SER N N 35 114.500 113.161 1.339 1
1 315 . 13 1 1 A 36 36 LYS H H 36 7.630 7.514 0.116 1
1 316 . 13 1 1 A 36 36 LYS HA H 36 4.890 5.095 -0.205 1
1 322 . 13 1 1 A 36 36 LYS C C 36 176.100 174.591 1.509 1
1 323 . 13 1 1 A 36 36 LYS CA C 36 55.400 54.427 0.973 1
1 324 . 13 1 1 A 36 36 LYS CB C 36 35.400 36.157 -0.757 1
1 328 . 13 1 1 A 36 36 LYS N N 36 126.900 118.646 8.254 1
1 329 . 13 1 1 A 37 37 TYR H H 37 8.440 8.531 -0.091 1
1 330 . 13 1 1 A 37 37 TYR HA H 37 5.100 5.490 -0.390 1
1 333 . 13 1 1 A 37 37 TYR C C 37 172.800 172.790 0.010 1
1 334 . 13 1 1 A 37 37 TYR CA C 37 55.400 55.701 -0.301 1
1 335 . 13 1 1 A 37 37 TYR CB C 37 41.000 41.609 -0.609 1
1 336 . 13 1 1 A 37 37 TYR N N 37 124.200 117.602 6.598 1
1 337 . 13 1 1 A 38 38 ALA H H 38 8.590 9.114 -0.524 1
1 338 . 13 1 1 A 38 38 ALA HA H 38 4.630 5.328 -0.698 1
1 342 . 13 1 1 A 38 38 ALA C C 38 175.900 176.375 -0.475 1
1 343 . 13 1 1 A 38 38 ALA CA C 38 52.500 50.873 1.627 1
1 344 . 13 1 1 A 38 38 ALA CB C 38 18.300 21.171 -2.871 1
1 345 . 13 1 1 A 38 38 ALA N N 38 125.100 122.817 2.283 1
1 346 . 13 1 1 A 39 39 HIS H H 39 8.080 8.837 -0.757 1
1 347 . 13 1 1 A 39 39 HIS HA H 39 4.620 5.001 -0.381 1
1 352 . 13 1 1 A 39 39 HIS C C 39 174.100 172.611 1.489 1
1 353 . 13 1 1 A 39 39 HIS CA C 39 57.000 56.370 0.630 1
1 354 . 13 1 1 A 39 39 HIS CB C 39 34.600 32.873 1.727 1
1 355 . 13 1 1 A 39 39 HIS N N 39 125.600 122.552 3.048 1
1 356 . 13 1 1 A 40 40 SER H H 40 6.860 8.120 -1.260 1
1 357 . 13 1 1 A 40 40 SER HA H 40 4.060 4.874 -0.814 1
1 360 . 13 1 1 A 40 40 SER C C 40 174.900 173.194 1.706 1
1 361 . 13 1 1 A 40 40 SER CA C 40 58.800 57.528 1.272 1
1 362 . 13 1 1 A 40 40 SER CB C 40 62.700 63.629 -0.929 1
1 363 . 13 1 1 A 40 40 SER N N 40 118.700 118.525 0.175 1
1 364 . 13 1 1 A 41 41 SER H H 41 9.140 8.803 0.337 1
1 365 . 13 1 1 A 41 41 SER HA H 41 4.480 4.965 -0.485 1
1 368 . 13 1 1 A 41 41 SER C C 41 173.600 172.025 1.575 1
1 369 . 13 1 1 A 41 41 SER CA C 41 57.800 56.414 1.386 1
1 370 . 13 1 1 A 41 41 SER CB C 41 63.600 65.334 -1.734 1
1 371 . 13 1 1 A 41 41 SER N N 41 122.500 119.638 2.862 1
1 372 . 13 1 1 A 42 42 PRO HA H 42 4.040 4.297 -0.257 1
1 379 . 13 1 1 A 42 42 PRO C C 42 174.900 176.513 -1.613 1
1 380 . 13 1 1 A 42 42 PRO CA C 42 63.700 62.331 1.369 1
1 381 . 13 1 1 A 42 42 PRO CB C 42 31.500 32.154 -0.654 1
1 384 . 13 1 1 A 43 43 TRP H H 43 6.590 7.935 -1.345 1
1 385 . 13 1 1 A 43 43 TRP HA H 43 4.850 4.028 0.822 1
1 394 . 13 1 1 A 43 43 TRP C C 43 174.100 174.941 -0.841 1
1 395 . 13 1 1 A 43 43 TRP CA C 43 57.300 57.655 -0.355 1
1 396 . 13 1 1 A 43 43 TRP CB C 43 29.500 27.509 1.991 1
1 397 . 13 1 1 A 43 43 TRP N N 43 113.900 116.948 -3.048 1
1 399 . 13 1 1 A 44 44 PRO HA H 44 3.810 4.768 -0.958 1
1 405 . 13 1 1 A 44 44 PRO C C 44 174.800 175.875 -1.075 1
1 406 . 13 1 1 A 44 44 PRO CA C 44 63.200 62.876 0.324 1
1 407 . 13 1 1 A 44 44 PRO CB C 44 32.200 32.221 -0.021 1
1 410 . 13 1 1 A 45 45 ALA H H 45 7.850 8.215 -0.365 1
1 411 . 13 1 1 A 45 45 ALA HA H 45 5.260 4.448 0.812 1
1 415 . 13 1 1 A 45 45 ALA C C 45 174.800 174.619 0.181 1
1 416 . 13 1 1 A 45 45 ALA CA C 45 50.100 51.050 -0.950 1
1 417 . 13 1 1 A 45 45 ALA CB C 45 20.800 22.624 -1.824 1
1 418 . 13 1 1 A 45 45 ALA N N 45 126.700 121.024 5.676 1
1 419 . 13 1 1 A 46 46 PHE H H 46 8.080 7.975 0.105 1
1 420 . 13 1 1 A 46 46 PHE HA H 46 5.860 4.538 1.322 1
1 424 . 13 1 1 A 46 46 PHE C C 46 177.800 176.390 1.410 1
1 425 . 13 1 1 A 46 46 PHE CA C 46 54.800 56.336 -1.536 1
1 426 . 13 1 1 A 46 46 PHE CB C 46 44.500 42.440 2.060 1
1 427 . 13 1 1 A 46 46 PHE N N 46 115.600 115.601 -0.001 1
1 428 . 13 1 1 A 47 47 THR H H 47 9.190 8.628 0.562 1
1 429 . 13 1 1 A 47 47 THR HA H 47 5.220 4.490 0.730 1
1 434 . 13 1 1 A 47 47 THR C C 47 175.000 174.766 0.234 1
1 435 . 13 1 1 A 47 47 THR CA C 47 63.000 65.310 -2.310 1
1 436 . 13 1 1 A 47 47 THR CB C 47 70.500 69.229 1.271 1
1 438 . 13 1 1 A 47 47 THR N N 47 109.900 115.176 -5.276 1
1 439 . 13 1 1 A 48 48 GLU H H 48 7.320 7.715 -0.395 1
1 440 . 13 1 1 A 48 48 GLU HA H 48 4.920 4.578 0.342 1
1 445 . 13 1 1 A 48 48 GLU C C 48 175.400 175.086 0.314 1
1 446 . 13 1 1 A 48 48 GLU CA C 48 55.200 55.482 -0.282 1
1 447 . 13 1 1 A 48 48 GLU CB C 48 31.900 33.043 -1.143 1
1 449 . 13 1 1 A 48 48 GLU N N 48 115.400 119.185 -3.785 1
1 450 . 13 1 1 A 49 49 THR H H 49 8.150 8.216 -0.066 1
1 451 . 13 1 1 A 49 49 THR HA H 49 4.090 4.815 -0.725 1
1 456 . 13 1 1 A 49 49 THR C C 49 175.800 176.067 -0.267 1
1 457 . 13 1 1 A 49 49 THR CA C 49 60.000 60.123 -0.123 1
1 458 . 13 1 1 A 49 49 THR CB C 49 70.400 71.917 -1.517 1
1 460 . 13 1 1 A 49 49 THR N N 49 111.400 113.235 -1.835 1
1 461 . 13 1 1 A 50 50 ILE H H 50 7.720 8.418 -0.698 1
1 462 . 13 1 1 A 50 50 ILE HA H 50 3.630 3.937 -0.307 1
1 472 . 13 1 1 A 50 50 ILE C C 50 174.500 177.052 -2.552 1
1 473 . 13 1 1 A 50 50 ILE CA C 50 64.100 64.097 0.003 1
1 474 . 13 1 1 A 50 50 ILE CB C 50 38.700 38.272 0.428 1
1 478 . 13 1 1 A 50 50 ILE N N 50 121.700 121.987 -0.287 1
1 479 . 13 1 1 A 51 51 HIS H H 51 7.400 7.698 -0.298 1
1 480 . 13 1 1 A 51 51 HIS HA H 51 5.300 4.864 0.436 1
1 484 . 13 1 1 A 51 51 HIS C C 51 175.500 173.034 2.466 1
1 485 . 13 1 1 A 51 51 HIS CA C 51 51.800 54.624 -2.824 1
1 486 . 13 1 1 A 51 51 HIS CB C 51 29.700 30.231 -0.531 1
1 487 . 13 1 1 A 51 51 HIS N N 51 115.500 116.796 -1.296 1
1 488 . 13 1 1 A 52 52 PRO HA H 52 4.350 4.398 -0.048 1
1 495 . 13 1 1 A 52 52 PRO C C 52 176.900 176.078 0.822 1
1 496 . 13 1 1 A 52 52 PRO CA C 52 64.800 63.014 1.786 1
1 497 . 13 1 1 A 52 52 PRO CB C 52 31.300 32.160 -0.860 1
1 500 . 13 1 1 A 53 53 ASP H H 53 8.070 8.287 -0.217 1
1 501 . 13 1 1 A 53 53 ASP HA H 53 4.760 4.733 0.027 1
1 504 . 13 1 1 A 53 53 ASP C C 53 176.900 176.815 0.085 1
1 505 . 13 1 1 A 53 53 ASP CA C 53 52.100 53.759 -1.659 1
1 506 . 13 1 1 A 53 53 ASP CB C 53 39.700 41.361 -1.661 1
1 507 . 13 1 1 A 53 53 ASP N N 53 114.300 121.182 -6.882 1
1 508 . 13 1 1 A 54 54 SER H H 54 7.720 7.668 0.052 1
1 509 . 13 1 1 A 54 54 SER HA H 54 4.040 4.562 -0.522 1
1 512 . 13 1 1 A 54 54 SER C C 54 173.200 174.325 -1.125 1
1 513 . 13 1 1 A 54 54 SER CA C 54 64.100 59.271 4.829 1
1 514 . 13 1 1 A 54 54 SER CB C 54 64.200 64.514 -0.314 1
1 515 . 13 1 1 A 54 54 SER N N 54 116.300 114.127 2.173 1
1 516 . 13 1 1 A 55 55 VAL H H 55 7.360 7.549 -0.189 1
1 517 . 13 1 1 A 55 55 VAL HA H 55 5.280 4.162 1.118 1
1 525 . 13 1 1 A 55 55 VAL C C 55 175.700 175.190 0.510 1
1 526 . 13 1 1 A 55 55 VAL CA C 55 57.300 61.641 -4.341 1
1 527 . 13 1 1 A 55 55 VAL CB C 55 34.800 32.979 1.821 1
1 530 . 13 1 1 A 55 55 VAL N N 55 105.200 119.141 -13.941 1
1 531 . 13 1 1 A 56 56 THR H H 56 8.780 8.359 0.421 1
1 532 . 13 1 1 A 56 56 THR HA H 56 4.530 5.054 -0.524 1
1 537 . 13 1 1 A 56 56 THR C C 56 173.800 172.907 0.893 1
1 538 . 13 1 1 A 56 56 THR CA C 56 60.500 59.916 0.584 1
1 539 . 13 1 1 A 56 56 THR CB C 56 70.400 72.036 -1.636 1
1 541 . 13 1 1 A 56 56 THR N N 56 116.000 119.737 -3.737 1
1 542 . 13 1 1 A 57 57 LYS H H 57 8.610 8.836 -0.226 1
1 543 . 13 1 1 A 57 57 LYS HA H 57 5.490 5.240 0.250 1
1 550 . 13 1 1 A 57 57 LYS C C 57 176.000 174.755 1.245 1
1 551 . 13 1 1 A 57 57 LYS CA C 57 54.600 54.119 0.481 1
1 552 . 13 1 1 A 57 57 LYS CB C 57 36.000 36.854 -0.854 1
1 556 . 13 1 1 A 57 57 LYS N N 57 121.900 124.322 -2.422 1
1 557 . 13 1 1 A 58 58 CYS H H 58 8.610 8.992 -0.382 1
1 558 . 13 1 1 A 58 58 CYS HA H 58 5.100 5.044 0.056 1
1 561 . 13 1 1 A 58 58 CYS CA C 58 55.200 56.494 -1.294 1
1 562 . 13 1 1 A 58 58 CYS CB C 58 29.700 30.630 -0.930 1
1 563 . 13 1 1 A 58 58 CYS N N 58 120.600 117.615 2.985 1
1 564 . 13 1 1 A 59 59 PRO HA H 59 4.590 4.573 0.017 1
1 571 . 13 1 1 A 59 59 PRO C C 59 176.600 176.647 -0.047 1
1 572 . 13 1 1 A 59 59 PRO CA C 59 63.700 62.407 1.293 1
1 573 . 13 1 1 A 59 59 PRO CB C 59 32.100 32.248 -0.148 1
1 576 . 13 1 1 A 60 60 GLU H H 60 8.630 8.017 0.613 1
1 577 . 13 1 1 A 60 60 GLU HA H 60 4.450 4.557 -0.107 1
1 582 . 13 1 1 A 60 60 GLU C C 60 176.900 176.950 -0.050 1
1 583 . 13 1 1 A 60 60 GLU CA C 60 55.700 56.410 -0.710 1
1 584 . 13 1 1 A 60 60 GLU CB C 60 30.500 30.426 0.074 1
1 586 . 13 1 1 A 60 60 GLU N N 60 123.900 120.845 3.055 1
1 587 . 13 1 1 A 61 61 LYS H H 61 8.780 8.528 0.252 1
1 588 . 13 1 1 A 61 61 LYS HA H 61 3.930 4.615 -0.685 1
1 596 . 13 1 1 A 61 61 LYS C C 61 177.100 177.390 -0.290 1
1 597 . 13 1 1 A 61 61 LYS CA C 61 58.300 56.367 1.933 1
1 598 . 13 1 1 A 61 61 LYS CB C 61 31.900 34.206 -2.306 1
1 602 . 13 1 1 A 61 61 LYS N N 61 127.000 119.159 7.841 1
1 603 . 13 1 1 A 62 62 ASN H H 62 8.870 8.254 0.616 1
1 604 . 13 1 1 A 62 62 ASN HA H 62 4.520 4.836 -0.316 1
1 609 . 13 1 1 A 62 62 ASN C C 62 174.400 175.371 -0.971 1
1 610 . 13 1 1 A 62 62 ASN CA C 62 54.000 52.727 1.273 1
1 611 . 13 1 1 A 62 62 ASN CB C 62 38.000 38.779 -0.779 1
1 612 . 13 1 1 A 62 62 ASN N N 62 117.000 114.645 2.355 1
1 613 . 13 1 1 A 63 63 ARG H H 63 7.430 7.665 -0.235 1
1 614 . 13 1 1 A 63 63 ARG HA H 63 4.810 4.777 0.033 1
1 622 . 13 1 1 A 63 63 ARG C C 63 172.300 174.139 -1.839 1
1 623 . 13 1 1 A 63 63 ARG CA C 63 53.800 53.586 0.214 1
1 624 . 13 1 1 A 63 63 ARG CB C 63 31.300 30.936 0.364 1
1 627 . 13 1 1 A 63 63 ARG N N 63 119.200 119.819 -0.619 1
1 629 . 13 1 1 A 64 64 PRO HA H 64 4.350 4.525 -0.175 1
1 636 . 13 1 1 A 64 64 PRO C C 64 176.900 175.621 1.279 1
1 637 . 13 1 1 A 64 64 PRO CA C 64 64.200 62.748 1.452 1
1 638 . 13 1 1 A 64 64 PRO CB C 64 31.800 29.437 2.363 1
1 641 . 13 1 1 A 65 65 GLU H H 65 9.210 8.584 0.626 1
1 642 . 13 1 1 A 65 65 GLU HA H 65 4.280 4.681 -0.401 1
1 647 . 13 1 1 A 65 65 GLU C C 65 174.300 174.888 -0.588 1
1 648 . 13 1 1 A 65 65 GLU CA C 65 56.600 55.878 0.722 1
1 649 . 13 1 1 A 65 65 GLU CB C 65 28.200 31.360 -3.160 1
1 651 . 13 1 1 A 65 65 GLU N N 65 117.000 120.497 -3.497 1
1 652 . 13 1 1 A 66 66 ALA H H 66 8.040 7.430 0.610 1
1 653 . 13 1 1 A 66 66 ALA HA H 66 5.230 4.090 1.140 1
1 657 . 13 1 1 A 66 66 ALA C C 66 174.900 174.918 -0.018 1
1 658 . 13 1 1 A 66 66 ALA CA C 66 50.300 51.254 -0.954 1
1 659 . 13 1 1 A 66 66 ALA CB C 66 22.200 22.208 -0.008 1
1 660 . 13 1 1 A 66 66 ALA N N 66 124.800 120.225 4.575 1
1 661 . 13 1 1 A 67 67 LEU H H 67 8.710 8.229 0.481 1
1 662 . 13 1 1 A 67 67 LEU HA H 67 4.800 4.973 -0.173 1
1 672 . 13 1 1 A 67 67 LEU C C 67 177.200 175.879 1.321 1
1 673 . 13 1 1 A 67 67 LEU CA C 67 52.800 53.200 -0.400 1
1 674 . 13 1 1 A 67 67 LEU CB C 67 43.200 45.708 -2.508 1
1 678 . 13 1 1 A 67 67 LEU N N 67 120.400 118.614 1.786 1
1 679 . 13 1 1 A 68 68 LYS H H 68 9.180 8.873 0.307 1
1 680 . 13 1 1 A 68 68 LYS HA H 68 4.050 4.725 -0.675 1
1 689 . 13 1 1 A 68 68 LYS C C 68 176.900 175.894 1.006 1
1 690 . 13 1 1 A 68 68 LYS CA C 68 57.100 56.189 0.911 1
1 691 . 13 1 1 A 68 68 LYS CB C 68 32.600 33.623 -1.023 1
1 695 . 13 1 1 A 68 68 LYS N N 68 125.300 124.144 1.156 1
1 696 . 13 1 1 A 69 69 VAL H H 69 8.150 8.559 -0.409 1
1 697 . 13 1 1 A 69 69 VAL HA H 69 5.240 4.904 0.336 1
1 705 . 13 1 1 A 69 69 VAL C C 69 174.900 174.814 0.086 1
1 706 . 13 1 1 A 69 69 VAL CA C 69 59.900 60.480 -0.580 1
1 707 . 13 1 1 A 69 69 VAL CB C 69 34.700 35.554 -0.854 1
1 710 . 13 1 1 A 69 69 VAL N N 69 121.600 122.668 -1.068 1
1 711 . 13 1 1 A 70 70 SER H H 70 8.610 9.218 -0.608 1
1 712 . 13 1 1 A 70 70 SER HA H 70 5.210 5.060 0.150 1
1 715 . 13 1 1 A 70 70 SER C C 70 171.900 172.677 -0.777 1
1 716 . 13 1 1 A 70 70 SER CA C 70 56.600 56.287 0.313 1
1 717 . 13 1 1 A 70 70 SER CB C 70 65.600 66.071 -0.471 1
1 718 . 13 1 1 A 70 70 SER N N 70 120.600 120.286 0.314 1
1 719 . 13 1 1 A 71 71 CYS H H 71 9.280 8.453 0.827 1
1 720 . 13 1 1 A 71 71 CYS HA H 71 4.130 4.547 -0.417 1
1 723 . 13 1 1 A 71 71 CYS C C 71 178.600 175.220 3.380 1
1 724 . 13 1 1 A 71 71 CYS CA C 71 61.600 58.041 3.559 1
1 725 . 13 1 1 A 71 71 CYS CB C 71 31.300 26.770 4.530 1
1 726 . 13 1 1 A 71 71 CYS N N 71 126.700 121.905 4.795 1
1 727 . 13 1 1 A 72 72 GLY H H 72 9.140 8.188 0.952 1
1 728 . 13 1 1 A 72 72 GLY HA2 H 72 3.760 3.853 -0.093 1
1 729 . 13 1 1 A 72 72 GLY HA3 H 72 3.670 3.855 -0.185 1
1 730 . 13 1 1 A 72 72 GLY C C 72 172.500 175.875 -3.375 1
1 731 . 13 1 1 A 72 72 GLY CA C 72 46.200 47.197 -0.997 1
1 732 . 13 1 1 A 72 72 GLY N N 72 120.100 113.837 6.263 1
1 733 . 13 1 1 A 73 73 LYS H H 73 9.090 8.020 1.070 1
1 734 . 13 1 1 A 73 73 LYS HA H 73 4.210 4.043 0.167 1
1 742 . 13 1 1 A 73 73 LYS C C 73 177.600 178.290 -0.690 1
1 743 . 13 1 1 A 73 73 LYS CA C 73 56.600 59.069 -2.469 1
1 744 . 13 1 1 A 73 73 LYS CB C 73 32.700 32.139 0.561 1
1 748 . 13 1 1 A 73 73 LYS N N 73 124.400 120.888 3.512 1
1 749 . 13 1 1 A 74 74 CYS H H 74 8.590 7.540 1.050 1
1 750 . 13 1 1 A 74 74 CYS HA H 74 4.910 4.563 0.347 1
1 753 . 13 1 1 A 74 74 CYS C C 74 177.400 175.433 1.967 1
1 754 . 13 1 1 A 74 74 CYS CA C 74 58.900 58.705 0.195 1
1 755 . 13 1 1 A 74 74 CYS CB C 74 33.300 29.150 4.150 1
1 756 . 13 1 1 A 74 74 CYS N N 74 119.700 114.490 5.210 1
1 757 . 13 1 1 A 75 75 GLY H H 75 7.760 8.350 -0.590 1
1 758 . 13 1 1 A 75 75 GLY HA2 H 75 4.210 3.948 0.262 1
1 759 . 13 1 1 A 75 75 GLY HA3 H 75 3.750 3.950 -0.200 1
1 760 . 13 1 1 A 75 75 GLY C C 75 174.000 174.078 -0.078 1
1 761 . 13 1 1 A 75 75 GLY CA C 75 46.100 46.504 -0.404 1
1 762 . 13 1 1 A 75 75 GLY N N 75 113.000 110.684 2.316 1
1 763 . 13 1 1 A 76 76 ASN H H 76 9.050 7.915 1.135 1
1 764 . 13 1 1 A 76 76 ASN HA H 76 4.500 5.052 -0.552 1
1 769 . 13 1 1 A 76 76 ASN C C 76 178.700 174.216 4.484 1
1 770 . 13 1 1 A 76 76 ASN CA C 76 54.700 51.528 3.172 1
1 771 . 13 1 1 A 76 76 ASN CB C 76 39.800 40.572 -0.772 1
1 772 . 13 1 1 A 76 76 ASN N N 76 123.700 118.803 4.897 1
1 774 . 13 1 1 A 77 77 GLY H H 77 8.660 8.428 0.232 1
1 775 . 13 1 1 A 77 77 GLY HA2 H 77 3.970 4.184 -0.214 1
1 776 . 13 1 1 A 77 77 GLY HA3 H 77 3.710 4.185 -0.475 1
1 777 . 13 1 1 A 77 77 GLY C C 77 173.800 174.102 -0.302 1
1 778 . 13 1 1 A 77 77 GLY CA C 77 47.300 45.531 1.769 1
1 779 . 13 1 1 A 77 77 GLY N N 77 115.600 108.155 7.445 1
1 780 . 13 1 1 A 78 78 LEU H H 78 8.600 8.215 0.385 1
1 781 . 13 1 1 A 78 78 LEU HA H 78 4.810 4.543 0.267 1
1 791 . 13 1 1 A 78 78 LEU C C 78 173.800 176.216 -2.416 1
1 792 . 13 1 1 A 78 78 LEU CA C 78 54.900 53.950 0.950 1
1 793 . 13 1 1 A 78 78 LEU CB C 78 45.000 43.221 1.779 1
1 797 . 13 1 1 A 78 78 LEU N N 78 122.700 118.254 4.446 1
1 798 . 13 1 1 A 79 79 GLY H H 79 7.100 7.521 -0.421 1
1 799 . 13 1 1 A 79 79 GLY HA2 H 79 4.650 4.227 0.423 1
1 800 . 13 1 1 A 79 79 GLY HA3 H 79 3.020 4.276 -1.256 1
1 801 . 13 1 1 A 79 79 GLY C C 79 173.000 172.276 0.724 1
1 802 . 13 1 1 A 79 79 GLY CA C 79 44.900 44.375 0.525 1
1 803 . 13 1 1 A 79 79 GLY N N 79 102.400 109.319 -6.919 1
1 804 . 13 1 1 A 80 80 HIS H H 80 8.580 8.543 0.037 1
1 805 . 13 1 1 A 80 80 HIS HA H 80 5.470 5.368 0.102 1
1 810 . 13 1 1 A 80 80 HIS C C 80 172.300 174.441 -2.141 1
1 811 . 13 1 1 A 80 80 HIS CA C 80 55.000 55.158 -0.158 1
1 812 . 13 1 1 A 80 80 HIS CB C 80 34.500 33.332 1.168 1
1 813 . 13 1 1 A 80 80 HIS N N 80 122.400 121.208 1.192 1
1 814 . 13 1 1 A 81 81 GLU H H 81 9.260 9.463 -0.203 1
1 815 . 13 1 1 A 81 81 GLU HA H 81 4.100 4.912 -0.812 1
1 820 . 13 1 1 A 81 81 GLU C C 81 174.300 174.965 -0.665 1
1 821 . 13 1 1 A 81 81 GLU CA C 81 54.700 55.917 -1.217 1
1 822 . 13 1 1 A 81 81 GLU CB C 81 31.600 31.808 -0.208 1
1 824 . 13 1 1 A 81 81 GLU N N 81 123.700 121.399 2.301 1
1 825 . 13 1 1 A 82 82 PHE H H 82 9.150 9.249 -0.099 1
1 826 . 13 1 1 A 82 82 PHE HA H 82 5.080 4.862 0.218 1
1 830 . 13 1 1 A 82 82 PHE C C 82 174.300 174.482 -0.182 1
1 831 . 13 1 1 A 82 82 PHE CA C 82 56.700 56.871 -0.171 1
1 832 . 13 1 1 A 82 82 PHE CB C 82 38.800 38.954 -0.154 1
1 833 . 13 1 1 A 82 82 PHE N N 82 126.900 129.515 -2.615 1
1 834 . 13 1 1 A 83 83 LEU H H 83 8.280 8.640 -0.360 1
1 835 . 13 1 1 A 83 83 LEU HA H 83 4.100 4.715 -0.615 1
1 845 . 13 1 1 A 83 83 LEU C C 83 176.200 175.191 1.009 1
1 846 . 13 1 1 A 83 83 LEU CA C 83 55.500 54.001 1.499 1
1 847 . 13 1 1 A 83 83 LEU CB C 83 42.000 45.146 -3.146 1
1 849 . 13 1 1 A 83 83 LEU N N 83 126.900 127.926 -1.026 1
1 850 . 13 1 1 A 84 84 ASN H H 84 9.260 8.828 0.432 1
1 851 . 13 1 1 A 84 84 ASN HA H 84 4.290 4.368 -0.078 1
1 856 . 13 1 1 A 84 84 ASN C C 84 174.400 174.240 0.160 1
1 857 . 13 1 1 A 84 84 ASN CA C 84 54.800 54.926 -0.126 1
1 858 . 13 1 1 A 84 84 ASN CB C 84 37.900 37.013 0.887 1
1 859 . 13 1 1 A 84 84 ASN N N 84 116.900 121.337 -4.437 1
1 861 . 13 1 1 A 85 85 ASP H H 85 7.140 8.067 -0.927 1
1 862 . 13 1 1 A 85 85 ASP HA H 85 5.200 4.870 0.330 1
1 865 . 13 1 1 A 85 85 ASP C C 85 176.000 176.448 -0.448 1
1 866 . 13 1 1 A 85 85 ASP CA C 85 53.800 54.088 -0.288 1
1 867 . 13 1 1 A 85 85 ASP CB C 85 45.500 42.496 3.004 1
1 868 . 13 1 1 A 85 85 ASP N N 85 117.200 118.033 -0.833 1
1 869 . 13 1 1 A 86 86 GLY H H 86 8.230 8.165 0.065 1
1 870 . 13 1 1 A 86 86 GLY HA2 H 86 4.140 4.527 -0.387 1
1 871 . 13 1 1 A 86 86 GLY HA3 H 86 3.280 4.551 -1.271 1
1 872 . 13 1 1 A 86 86 GLY C C 86 171.700 173.855 -2.155 1
1 873 . 13 1 1 A 86 86 GLY CA C 86 44.600 46.647 -2.047 1
1 874 . 13 1 1 A 86 86 GLY N N 86 107.600 106.958 0.642 1
1 875 . 13 1 1 A 87 87 PRO HA H 87 4.190 4.435 -0.245 1
1 882 . 13 1 1 A 87 87 PRO C C 87 177.000 178.356 -1.356 1
1 883 . 13 1 1 A 87 87 PRO CA C 87 65.200 64.577 0.623 1
1 884 . 13 1 1 A 87 87 PRO CB C 87 31.700 31.998 -0.298 1
1 887 . 13 1 1 A 88 88 LYS H H 88 7.310 8.126 -0.816 1
1 888 . 13 1 1 A 88 88 LYS HA H 88 4.480 4.329 0.151 1
1 897 . 13 1 1 A 88 88 LYS C C 88 175.700 177.434 -1.734 1
1 898 . 13 1 1 A 88 88 LYS CA C 88 53.700 58.743 -5.043 1
1 899 . 13 1 1 A 88 88 LYS CB C 88 34.900 32.763 2.137 1
1 903 . 13 1 1 A 88 88 LYS N N 88 116.200 116.531 -0.331 1
1 904 . 13 1 1 A 89 89 ARG H H 89 8.320 7.629 0.691 1
1 905 . 13 1 1 A 89 89 ARG HA H 89 4.010 4.376 -0.366 1
1 912 . 13 1 1 A 89 89 ARG C C 89 177.500 177.461 0.039 1
1 913 . 13 1 1 A 89 89 ARG CA C 89 57.900 56.670 1.230 1
1 914 . 13 1 1 A 89 89 ARG CB C 89 32.100 30.993 1.107 1
1 917 . 13 1 1 A 89 89 ARG N N 89 122.200 119.391 2.809 1
1 919 . 13 1 1 A 90 90 GLY H H 90 8.950 8.471 0.479 1
1 920 . 13 1 1 A 90 90 GLY HA2 H 90 4.240 3.924 0.316 1
1 921 . 13 1 1 A 90 90 GLY HA3 H 90 3.850 3.940 -0.090 1
1 922 . 13 1 1 A 90 90 GLY C C 90 175.000 174.069 0.931 1
1 923 . 13 1 1 A 90 90 GLY CA C 90 45.100 45.299 -0.199 1
1 924 . 13 1 1 A 90 90 GLY N N 90 115.100 111.974 3.126 1
1 925 . 13 1 1 A 91 91 GLN H H 91 8.120 7.730 0.390 1
1 926 . 13 1 1 A 91 91 GLN HA H 91 4.580 4.313 0.267 1
1 933 . 13 1 1 A 91 91 GLN C C 91 177.000 175.195 1.805 1
1 934 . 13 1 1 A 91 91 GLN CA C 91 55.900 56.993 -1.093 1
1 935 . 13 1 1 A 91 91 GLN CB C 91 31.000 29.419 1.581 1
1 937 . 13 1 1 A 91 91 GLN N N 91 120.900 120.489 0.411 1
1 938 . 13 1 1 A 92 92 SER H H 92 9.210 8.692 0.518 1
1 939 . 13 1 1 A 92 92 SER HA H 92 4.820 5.285 -0.465 1
1 942 . 13 1 1 A 92 92 SER C C 92 171.600 172.983 -1.383 1
1 943 . 13 1 1 A 92 92 SER CA C 92 57.700 58.063 -0.363 1
1 944 . 13 1 1 A 92 92 SER CB C 92 65.200 65.339 -0.139 1
1 945 . 13 1 1 A 92 92 SER N N 92 120.900 117.069 3.831 1
1 946 . 13 1 1 A 93 93 ARG H H 93 7.820 8.927 -1.107 1
1 947 . 13 1 1 A 93 93 ARG HA H 93 4.950 5.276 -0.326 1
1 952 . 13 1 1 A 93 93 ARG C C 93 176.400 174.781 1.619 1
1 953 . 13 1 1 A 93 93 ARG CA C 93 55.200 55.046 0.154 1
1 954 . 13 1 1 A 93 93 ARG CB C 93 34.600 33.876 0.724 1
1 957 . 13 1 1 A 93 93 ARG N N 93 117.800 122.877 -5.077 1
1 958 . 13 1 1 A 94 94 PHE H H 94 9.860 8.984 0.876 1
1 959 . 13 1 1 A 94 94 PHE HA H 94 4.780 5.104 -0.324 1
1 962 . 13 1 1 A 94 94 PHE C C 94 176.400 174.800 1.600 1
1 963 . 13 1 1 A 94 94 PHE CA C 94 58.300 55.656 2.644 1
1 964 . 13 1 1 A 94 94 PHE CB C 94 38.500 40.307 -1.807 1
1 965 . 13 1 1 A 94 94 PHE N N 94 127.100 118.527 8.573 1
1 966 . 13 1 1 A 95 95 CYS H H 95 9.190 8.598 0.592 1
1 967 . 13 1 1 A 95 95 CYS HA H 95 4.810 4.877 -0.067 1
1 970 . 13 1 1 A 95 95 CYS CA C 95 57.300 57.322 -0.022 1
1 971 . 13 1 1 A 95 95 CYS CB C 95 28.700 29.514 -0.814 1
1 972 . 13 1 1 A 95 95 CYS N N 95 128.200 120.089 8.111 1
1 973 . 13 1 1 A 96 96 ILE H H 96 7.510 8.893 -1.383 1
1 974 . 13 1 1 A 96 96 ILE HA H 96 4.620 4.880 -0.260 1
1 983 . 13 1 1 A 96 96 ILE C C 96 173.700 176.583 -2.883 1
1 984 . 13 1 1 A 96 96 ILE CA C 96 55.800 60.208 -4.408 1
1 985 . 13 1 1 A 96 96 ILE CB C 96 39.900 39.415 0.485 1
1 989 . 13 1 1 A 96 96 ILE N N 96 130.700 127.264 3.436 1
1 990 . 13 1 1 A 97 97 PHE H H 97 8.040 9.041 -1.001 1
1 991 . 13 1 1 A 97 97 PHE HA H 97 4.920 4.627 0.293 1
1 994 . 13 1 1 A 97 97 PHE C C 97 178.800 177.154 1.646 1
1 995 . 13 1 1 A 97 97 PHE CA C 97 57.500 58.183 -0.683 1
1 996 . 13 1 1 A 97 97 PHE CB C 97 38.400 39.741 -1.341 1
1 997 . 13 1 1 A 97 97 PHE N N 97 122.400 124.406 -2.006 1
1 998 . 13 1 1 A 98 98 SER HA H 98 4.380 4.382 -0.002 1
1 1001 . 13 1 1 A 98 98 SER C C 98 176.400 176.583 -0.183 1
1 1002 . 13 1 1 A 98 98 SER CA C 98 64.900 60.663 4.237 1
1 1003 . 13 1 1 A 98 98 SER CB C 98 63.600 63.221 0.379 1
1 1004 . 13 1 1 A 99 99 SER H H 99 9.360 8.041 1.319 1
1 1005 . 13 1 1 A 99 99 SER HA H 99 4.300 4.292 0.008 1
1 1008 . 13 1 1 A 99 99 SER C C 99 175.800 176.970 -1.170 1
1 1009 . 13 1 1 A 99 99 SER CA C 99 60.200 61.008 -0.808 1
1 1010 . 13 1 1 A 99 99 SER CB C 99 62.700 63.112 -0.412 1
1 1011 . 13 1 1 A 99 99 SER N N 99 114.100 117.575 -3.475 1
1 1012 . 13 1 1 A 100 100 SER H H 100 8.150 7.996 0.154 1
1 1013 . 13 1 1 A 100 100 SER HA H 100 4.630 4.417 0.213 1
1 1016 . 13 1 1 A 100 100 SER C C 100 173.500 174.215 -0.715 1
1 1017 . 13 1 1 A 100 100 SER CA C 100 60.400 61.409 -1.009 1
1 1018 . 13 1 1 A 100 100 SER CB C 100 63.600 64.157 -0.557 1
1 1019 . 13 1 1 A 100 100 SER N N 100 118.700 114.907 3.793 1
1 1020 . 13 1 1 A 101 101 LEU H H 101 8.100 7.809 0.291 1
1 1021 . 13 1 1 A 101 101 LEU HA H 101 5.570 4.705 0.865 1
1 1031 . 13 1 1 A 101 101 LEU C C 101 176.000 174.430 1.570 1
1 1032 . 13 1 1 A 101 101 LEU CA C 101 53.400 53.989 -0.589 1
1 1033 . 13 1 1 A 101 101 LEU CB C 101 46.700 43.909 2.791 1
1 1036 . 13 1 1 A 101 101 LEU N N 101 122.000 116.285 5.715 1
1 1037 . 13 1 1 A 102 102 LYS H H 102 8.950 8.145 0.805 1
1 1038 . 13 1 1 A 102 102 LYS HA H 102 4.710 4.916 -0.206 1
1 1045 . 13 1 1 A 102 102 LYS C C 102 174.400 174.433 -0.033 1
1 1046 . 13 1 1 A 102 102 LYS CA C 102 55.400 54.241 1.159 1
1 1047 . 13 1 1 A 102 102 LYS CB C 102 36.500 36.368 0.132 1
1 1051 . 13 1 1 A 102 102 LYS N N 102 119.500 119.127 0.373 1
1 1052 . 13 1 1 A 103 103 PHE H H 103 9.010 8.749 0.261 1
1 1053 . 13 1 1 A 103 103 PHE HA H 103 4.750 4.684 0.066 1
1 1056 . 13 1 1 A 103 103 PHE C C 103 173.900 173.459 0.441 1
1 1057 . 13 1 1 A 103 103 PHE CA C 103 57.100 55.215 1.885 1
1 1058 . 13 1 1 A 103 103 PHE CB C 103 41.300 41.600 -0.300 1
1 1059 . 13 1 1 A 103 103 PHE N N 103 124.500 122.013 2.487 1
1 1060 . 13 1 1 A 104 104 VAL H H 104 8.550 8.610 -0.060 1
1 1061 . 13 1 1 A 104 104 VAL HA H 104 4.140 4.519 -0.379 1
1 1069 . 13 1 1 A 104 104 VAL C C 104 172.800 173.468 -0.668 1
1 1070 . 13 1 1 A 104 104 VAL CA C 104 58.800 58.482 0.318 1
1 1071 . 13 1 1 A 104 104 VAL CB C 104 32.300 33.111 -0.811 1
1 1074 . 13 1 1 A 104 104 VAL N N 104 132.000 127.610 4.390 1
1 1075 . 13 1 1 A 105 105 PRO HA H 105 4.110 4.165 -0.055 1
1 1082 . 13 1 1 A 105 105 PRO C C 105 176.400 176.839 -0.439 1
1 1083 . 13 1 1 A 105 105 PRO CA C 105 62.400 62.295 0.105 1
1 1084 . 13 1 1 A 105 105 PRO CB C 105 32.400 31.747 0.653 1
1 1087 . 13 1 1 A 106 106 LYS H H 106 7.900 8.200 -0.300 1
1 1088 . 13 1 1 A 106 106 LYS HA H 106 4.170 4.233 -0.063 1
1 1096 . 13 1 1 A 106 106 LYS C C 106 176.900 176.508 0.392 1
1 1097 . 13 1 1 A 106 106 LYS CA C 106 56.700 55.588 1.112 1
1 1098 . 13 1 1 A 106 106 LYS CB C 106 33.500 33.217 0.283 1
1 1102 . 13 1 1 A 106 106 LYS N N 106 123.200 119.649 3.551 1
1 1103 . 13 1 1 A 107 107 GLY H H 107 8.740 8.958 -0.218 1
1 1104 . 13 1 1 A 107 107 GLY HA2 H 107 3.930 3.907 0.023 1
1 1105 . 13 1 1 A 107 107 GLY HA3 H 107 3.960 3.911 0.049 1
1 1106 . 13 1 1 A 107 107 GLY C C 107 174.000 174.921 -0.921 1
1 1107 . 13 1 1 A 107 107 GLY CA C 107 45.000 46.473 -1.473 1
1 1108 . 13 1 1 A 107 107 GLY N N 107 113.500 109.119 4.381 1
1 1109 . 13 1 1 A 108 108 LYS H H 108 8.240 7.943 0.297 1
1 1110 . 13 1 1 A 108 108 LYS HA H 108 4.290 4.114 0.176 1
1 1118 . 13 1 1 A 108 108 LYS C C 108 176.700 178.309 -1.609 1
1 1119 . 13 1 1 A 108 108 LYS CA C 108 56.000 58.298 -2.298 1
1 1120 . 13 1 1 A 108 108 LYS CB C 108 32.700 32.881 -0.181 1
1 1124 . 13 1 1 A 108 108 LYS N N 108 121.500 118.820 2.680 1
1 1125 . 13 1 1 A 109 109 GLU H H 109 8.650 7.912 0.738 1
1 1126 . 13 1 1 A 109 109 GLU HA H 109 4.180 4.089 0.091 1
1 1131 . 13 1 1 A 109 109 GLU C C 109 176.500 176.201 0.299 1
1 1132 . 13 1 1 A 109 109 GLU CA C 109 56.600 59.218 -2.618 1
1 1133 . 13 1 1 A 109 109 GLU CB C 109 29.900 29.324 0.576 1
1 1135 . 13 1 1 A 109 109 GLU N N 109 122.800 119.032 3.768 1
1 1136 . 13 1 1 A 110 110 ALA H H 110 8.400 7.851 0.549 1
1 1137 . 13 1 1 A 110 110 ALA HA H 110 4.190 4.053 0.137 1
1 1141 . 13 1 1 A 110 110 ALA CA C 110 52.500 52.825 -0.325 1
1 1142 . 13 1 1 A 110 110 ALA CB C 110 19.000 17.804 1.196 1
1 1143 . 13 1 1 A 110 110 ALA N N 110 126.100 121.383 4.717 1
1 1144 . 13 1 1 A 111 111 ALA H H 111 8.240 8.499 -0.259 1
1 1145 . 13 1 1 A 111 111 ALA HA H 111 4.220 3.920 0.300 1
1 1149 . 13 1 1 A 111 111 ALA C C 111 177.800 176.846 0.954 1
1 1150 . 13 1 1 A 111 111 ALA CA C 111 52.600 54.324 -1.724 1
1 1151 . 13 1 1 A 111 111 ALA CB C 111 19.000 18.078 0.922 1
1 1152 . 13 1 1 A 111 111 ALA N N 111 123.800 122.207 1.593 1
1 1153 . 13 1 1 A 112 112 ALA H H 112 8.220 8.752 -0.532 1
1 1154 . 13 1 1 A 112 112 ALA HA H 112 4.250 4.040 0.210 1
1 1158 . 13 1 1 A 112 112 ALA C C 112 178.100 176.779 1.321 1
1 1159 . 13 1 1 A 112 112 ALA CA C 112 52.600 54.065 -1.465 1
1 1160 . 13 1 1 A 112 112 ALA CB C 112 19.100 18.275 0.825 1
1 1161 . 13 1 1 A 112 112 ALA N N 112 123.600 119.790 3.810 1
1 1162 . 13 1 1 A 113 113 SER H H 113 8.200 8.633 -0.433 1
1 1163 . 13 1 1 A 113 113 SER HA H 113 4.360 4.059 0.301 1
1 1166 . 13 1 1 A 113 113 SER C C 113 174.800 173.356 1.444 1
1 1167 . 13 1 1 A 113 113 SER CA C 113 58.300 58.583 -0.283 1
1 1168 . 13 1 1 A 113 113 SER CB C 113 63.500 61.615 1.885 1
1 1169 . 13 1 1 A 113 113 SER N N 113 115.400 111.818 3.582 1
1 1170 . 13 1 1 A 114 114 GLN H H 114 8.320 8.433 -0.113 1
1 1171 . 13 1 1 A 114 114 GLN HA H 114 4.290 4.532 -0.242 1
1 1178 . 13 1 1 A 114 114 GLN C C 114 176.500 175.592 0.908 1
1 1179 . 13 1 1 A 114 114 GLN CA C 114 55.900 54.706 1.194 1
1 1180 . 13 1 1 A 114 114 GLN CB C 114 29.300 30.995 -1.695 1
1 1182 . 13 1 1 A 114 114 GLN N N 114 122.500 121.541 0.959 1
1 1183 . 13 1 1 A 115 115 GLY H H 115 8.370 8.356 0.014 1
1 1184 . 13 1 1 A 115 115 GLY HA2 H 115 3.850 4.210 -0.360 1
1 1185 . 13 1 1 A 115 115 GLY HA3 H 115 3.850 4.288 -0.438 1
1 1186 . 13 1 1 A 115 115 GLY C C 115 173.900 172.971 0.929 1
1 1187 . 13 1 1 A 115 115 GLY CA C 115 45.400 44.054 1.346 1
1 1188 . 13 1 1 A 115 115 GLY N N 115 110.000 108.836 1.164 1
1 1189 . 13 1 1 A 116 116 HIS H H 116 8.290 8.834 -0.544 1
1 1190 . 13 1 1 A 116 116 HIS HA H 116 4.620 5.583 -0.963 1
1 1195 . 13 1 1 A 116 116 HIS C C 116 174.600 172.770 1.830 1
1 1196 . 13 1 1 A 116 116 HIS CA C 116 55.500 54.005 1.495 1
1 1197 . 13 1 1 A 116 116 HIS CB C 116 29.100 33.036 -3.936 1
1 1198 . 13 1 1 A 116 116 HIS N N 116 119.100 115.193 3.907 1
1 1199 . 13 1 1 A 117 117 LEU H H 117 8.220 8.610 -0.390 1
1 1200 . 13 1 1 A 117 117 LEU HA H 117 4.240 4.622 -0.382 1
1 1210 . 13 1 1 A 117 117 LEU C C 117 174.600 176.214 -1.614 1
1 1211 . 13 1 1 A 117 117 LEU CA C 117 55.100 54.141 0.959 1
1 1212 . 13 1 1 A 117 117 LEU CB C 117 42.300 42.835 -0.535 1
1 1216 . 13 1 1 A 117 117 LEU N N 117 124.100 123.950 0.150 1
1 1217 . 13 1 1 A 118 118 GLU H H 118 8.350 8.787 -0.437 1
1 1218 . 13 1 1 A 118 118 GLU HA H 118 4.160 5.154 -0.994 1
1 1223 . 13 1 1 A 118 118 GLU C C 118 176.000 175.240 0.760 1
1 1224 . 13 1 1 A 118 118 GLU CA C 118 56.300 55.467 0.833 1
1 1225 . 13 1 1 A 118 118 GLU CB C 118 30.300 33.034 -2.734 1
1 1227 . 13 1 1 A 118 118 GLU N N 118 122.300 119.347 2.953 1
1 1228 . 13 1 1 A 119 119 HIS H H 119 8.410 8.531 -0.121 1
1 1229 . 13 1 1 A 119 119 HIS HA H 119 4.570 4.830 -0.260 1
1 1232 . 13 1 1 A 119 119 HIS C C 119 174.500 174.838 -0.338 1
1 1233 . 13 1 1 A 119 119 HIS CA C 119 55.400 55.898 -0.498 1
1 1234 . 13 1 1 A 119 119 HIS CB C 119 29.400 31.702 -2.302 1
1 1235 . 13 1 1 A 119 119 HIS N N 119 120.500 116.334 4.166 1
1 1236 . 13 1 1 A 120 120 HIS H H 120 8.530 7.394 1.136 1
1 1237 . 13 1 1 A 120 120 HIS HA H 120 4.640 4.257 0.383 1
1 1240 . 13 1 1 A 120 120 HIS C C 120 174.400 173.510 0.890 1
1 1241 . 13 1 1 A 120 120 HIS CA C 120 57.900 56.221 1.679 1
1 1242 . 13 1 1 A 120 120 HIS CB C 120 29.400 28.890 0.510 1
1 1 . 14 1 1 A 3 3 PHE HA H 3 4.650 4.686 -0.036 1
1 4 . 14 1 1 A 3 3 PHE C C 3 174.500 175.195 -0.695 1
1 5 . 14 1 1 A 3 3 PHE CA C 3 57.800 57.297 0.503 1
1 6 . 14 1 1 A 3 3 PHE CB C 3 39.600 39.584 0.016 1
1 7 . 14 1 1 A 4 4 CYS H H 4 8.270 8.060 0.210 1
1 8 . 14 1 1 A 4 4 CYS HA H 4 4.380 4.217 0.163 1
1 11 . 14 1 1 A 4 4 CYS C C 4 173.800 174.945 -1.145 1
1 12 . 14 1 1 A 4 4 CYS CA C 4 58.100 59.923 -1.823 1
1 13 . 14 1 1 A 4 4 CYS CB C 4 28.100 25.420 2.680 1
1 14 . 14 1 1 A 4 4 CYS N N 4 122.600 116.998 5.602 1
1 15 . 14 1 1 A 5 5 SER H H 5 8.250 8.592 -0.342 1
1 16 . 14 1 1 A 5 5 SER HA H 5 4.270 4.742 -0.472 1
1 19 . 14 1 1 A 5 5 SER C C 5 173.700 174.288 -0.588 1
1 20 . 14 1 1 A 5 5 SER CA C 5 58.300 58.247 0.053 1
1 21 . 14 1 1 A 5 5 SER CB C 5 63.700 63.488 0.212 1
1 22 . 14 1 1 A 5 5 SER N N 5 119.600 118.029 1.571 1
1 23 . 14 1 1 A 6 6 PHE H H 6 8.010 8.380 -0.370 1
1 24 . 14 1 1 A 6 6 PHE HA H 6 4.560 4.549 0.011 1
1 28 . 14 1 1 A 6 6 PHE C C 6 173.700 174.971 -1.271 1
1 29 . 14 1 1 A 6 6 PHE CA C 6 57.600 59.328 -1.728 1
1 30 . 14 1 1 A 6 6 PHE CB C 6 39.700 39.037 0.663 1
1 31 . 14 1 1 A 6 6 PHE N N 6 122.500 118.994 3.506 1
1 32 . 14 1 1 A 7 7 PHE H H 7 8.230 8.863 -0.633 1
1 33 . 14 1 1 A 7 7 PHE HA H 7 4.530 4.484 0.046 1
1 36 . 14 1 1 A 7 7 PHE C C 7 175.800 174.397 1.403 1
1 37 . 14 1 1 A 7 7 PHE CA C 7 57.600 58.868 -1.268 1
1 38 . 14 1 1 A 7 7 PHE CB C 7 39.700 38.456 1.244 1
1 39 . 14 1 1 A 7 7 PHE N N 7 123.000 118.190 4.810 1
1 40 . 14 1 1 A 8 8 GLY H H 8 7.870 7.965 -0.095 1
1 41 . 14 1 1 A 8 8 GLY HA2 H 8 3.800 4.045 -0.245 1
1 42 . 14 1 1 A 8 8 GLY HA3 H 8 3.750 4.085 -0.335 1
1 43 . 14 1 1 A 8 8 GLY C C 8 174.300 174.718 -0.418 1
1 44 . 14 1 1 A 8 8 GLY CA C 8 45.300 45.576 -0.276 1
1 45 . 14 1 1 A 8 8 GLY N N 8 111.200 111.106 0.094 1
1 46 . 14 1 1 A 9 9 GLY H H 9 7.930 7.857 0.073 1
1 47 . 14 1 1 A 9 9 GLY HA2 H 9 3.920 3.842 0.078 1
1 48 . 14 1 1 A 9 9 GLY HA3 H 9 3.850 3.926 -0.076 1
1 49 . 14 1 1 A 9 9 GLY C C 9 175.200 173.625 1.575 1
1 50 . 14 1 1 A 9 9 GLY CA C 9 45.100 46.058 -0.958 1
1 51 . 14 1 1 A 9 9 GLY N N 9 108.400 106.913 1.487 1
1 52 . 14 1 1 A 10 10 GLU H H 10 8.400 7.886 0.514 1
1 53 . 14 1 1 A 10 10 GLU HA H 10 4.360 4.790 -0.430 1
1 58 . 14 1 1 A 10 10 GLU C C 10 178.400 176.394 2.006 1
1 59 . 14 1 1 A 10 10 GLU CA C 10 54.700 54.764 -0.064 1
1 60 . 14 1 1 A 10 10 GLU CB C 10 36.700 32.597 4.103 1
1 62 . 14 1 1 A 10 10 GLU N N 10 122.600 119.445 3.155 1
1 63 . 14 1 1 A 11 11 VAL H H 11 7.940 8.548 -0.608 1
1 64 . 14 1 1 A 11 11 VAL HA H 11 3.680 4.373 -0.693 1
1 72 . 14 1 1 A 11 11 VAL C C 11 176.600 177.145 -0.545 1
1 73 . 14 1 1 A 11 11 VAL CA C 11 63.800 61.347 2.453 1
1 74 . 14 1 1 A 11 11 VAL CB C 11 31.200 33.746 -2.546 1
1 77 . 14 1 1 A 11 11 VAL N N 11 120.300 122.170 -1.870 1
1 78 . 14 1 1 A 12 12 PHE H H 12 7.730 7.831 -0.101 1
1 79 . 14 1 1 A 12 12 PHE HA H 12 5.200 4.288 0.912 1
1 83 . 14 1 1 A 12 12 PHE C C 12 177.100 177.041 0.059 1
1 84 . 14 1 1 A 12 12 PHE CA C 12 55.700 61.695 -5.995 1
1 85 . 14 1 1 A 12 12 PHE CB C 12 38.200 38.104 0.096 1
1 86 . 14 1 1 A 12 12 PHE N N 12 113.700 121.965 -8.265 1
1 87 . 14 1 1 A 13 13 GLN H H 13 8.080 8.345 -0.265 1
1 88 . 14 1 1 A 13 13 GLN HA H 13 3.270 4.231 -0.961 1
1 95 . 14 1 1 A 13 13 GLN C C 13 175.400 177.034 -1.634 1
1 96 . 14 1 1 A 13 13 GLN CA C 13 62.100 57.721 4.379 1
1 97 . 14 1 1 A 13 13 GLN CB C 13 27.100 28.735 -1.635 1
1 99 . 14 1 1 A 13 13 GLN N N 13 126.400 116.537 9.863 1
1 100 . 14 1 1 A 14 14 ASN H H 14 8.580 7.928 0.652 1
1 101 . 14 1 1 A 14 14 ASN HA H 14 5.010 4.924 0.086 1
1 106 . 14 1 1 A 14 14 ASN C C 14 173.000 175.066 -2.066 1
1 107 . 14 1 1 A 14 14 ASN CA C 14 51.500 52.675 -1.175 1
1 108 . 14 1 1 A 14 14 ASN CB C 14 37.900 38.707 -0.807 1
1 109 . 14 1 1 A 14 14 ASN N N 14 115.900 118.168 -2.268 1
1 111 . 14 1 1 A 15 15 HIS H H 15 6.070 7.732 -1.662 1
1 112 . 14 1 1 A 15 15 HIS HA H 15 4.370 4.568 -0.198 1
1 117 . 14 1 1 A 15 15 HIS C C 15 174.400 175.447 -1.047 1
1 118 . 14 1 1 A 15 15 HIS CA C 15 56.600 56.599 0.001 1
1 119 . 14 1 1 A 15 15 HIS CB C 15 33.400 29.802 3.598 1
1 120 . 14 1 1 A 15 15 HIS N N 15 120.500 116.915 3.585 1
1 121 . 14 1 1 A 16 16 PHE H H 16 8.880 9.053 -0.173 1
1 122 . 14 1 1 A 16 16 PHE HA H 16 4.870 3.999 0.871 1
1 125 . 14 1 1 A 16 16 PHE C C 16 174.300 174.395 -0.095 1
1 126 . 14 1 1 A 16 16 PHE CA C 16 57.100 58.481 -1.381 1
1 127 . 14 1 1 A 16 16 PHE CB C 16 39.700 37.242 2.458 1
1 128 . 14 1 1 A 16 16 PHE N N 16 127.200 119.992 7.208 1
1 129 . 14 1 1 A 17 17 GLU H H 17 5.780 7.943 -2.163 1
1 130 . 14 1 1 A 17 17 GLU HA H 17 4.500 4.640 -0.140 1
1 135 . 14 1 1 A 17 17 GLU C C 17 174.300 174.202 0.098 1
1 136 . 14 1 1 A 17 17 GLU CA C 17 53.500 53.900 -0.400 1
1 137 . 14 1 1 A 17 17 GLU CB C 17 30.700 29.565 1.135 1
1 139 . 14 1 1 A 17 17 GLU N N 17 119.900 117.906 1.994 1
1 140 . 14 1 1 A 18 18 PRO HA H 18 4.630 4.515 0.115 1
1 147 . 14 1 1 A 18 18 PRO C C 18 178.100 175.889 2.211 1
1 148 . 14 1 1 A 18 18 PRO CA C 18 62.700 62.405 0.295 1
1 149 . 14 1 1 A 18 18 PRO CB C 18 31.400 33.108 -1.708 1
1 152 . 14 1 1 A 19 19 GLY H H 19 8.820 8.346 0.474 1
1 153 . 14 1 1 A 19 19 GLY HA2 H 19 4.500 3.927 0.573 1
1 154 . 14 1 1 A 19 19 GLY HA3 H 19 3.630 4.166 -0.536 1
1 155 . 14 1 1 A 19 19 GLY C C 19 171.000 171.675 -0.675 1
1 156 . 14 1 1 A 19 19 GLY CA C 19 46.200 45.540 0.660 1
1 157 . 14 1 1 A 19 19 GLY N N 19 111.300 106.376 4.924 1
1 158 . 14 1 1 A 20 20 VAL H H 20 8.070 8.069 0.001 1
1 159 . 14 1 1 A 20 20 VAL HA H 20 4.750 4.952 -0.202 1
1 167 . 14 1 1 A 20 20 VAL C C 20 172.300 173.022 -0.722 1
1 168 . 14 1 1 A 20 20 VAL CA C 20 60.200 59.950 0.250 1
1 169 . 14 1 1 A 20 20 VAL CB C 20 36.100 35.726 0.374 1
1 172 . 14 1 1 A 20 20 VAL N N 20 120.700 119.803 0.897 1
1 173 . 14 1 1 A 21 21 TYR H H 21 9.560 8.932 0.628 1
1 174 . 14 1 1 A 21 21 TYR HA H 21 5.230 5.301 -0.071 1
1 177 . 14 1 1 A 21 21 TYR C C 21 175.600 174.282 1.318 1
1 178 . 14 1 1 A 21 21 TYR CA C 21 56.800 55.979 0.821 1
1 179 . 14 1 1 A 21 21 TYR CB C 21 39.200 41.900 -2.700 1
1 180 . 14 1 1 A 21 21 TYR N N 21 123.200 126.057 -2.857 1
1 181 . 14 1 1 A 22 22 VAL H H 22 9.400 7.885 1.515 1
1 182 . 14 1 1 A 22 22 VAL HA H 22 4.950 4.781 0.169 1
1 190 . 14 1 1 A 22 22 VAL C C 22 174.000 173.768 0.232 1
1 191 . 14 1 1 A 22 22 VAL CA C 22 57.100 58.762 -1.662 1
1 192 . 14 1 1 A 22 22 VAL CB C 22 33.900 35.617 -1.717 1
1 195 . 14 1 1 A 22 22 VAL N N 22 119.100 120.200 -1.100 1
1 196 . 14 1 1 A 23 23 CYS H H 23 9.020 8.132 0.888 1
1 197 . 14 1 1 A 23 23 CYS HA H 23 4.260 4.559 -0.299 1
1 200 . 14 1 1 A 23 23 CYS C C 23 178.700 175.567 3.133 1
1 201 . 14 1 1 A 23 23 CYS CA C 23 60.600 59.051 1.549 1
1 202 . 14 1 1 A 23 23 CYS CB C 23 31.700 28.623 3.077 1
1 203 . 14 1 1 A 23 23 CYS N N 23 123.800 122.269 1.531 1
1 204 . 14 1 1 A 24 24 ALA H H 24 8.760 9.005 -0.245 1
1 205 . 14 1 1 A 24 24 ALA HA H 24 3.840 3.975 -0.135 1
1 209 . 14 1 1 A 24 24 ALA C C 24 177.500 178.993 -1.493 1
1 210 . 14 1 1 A 24 24 ALA CA C 24 55.000 54.951 0.049 1
1 211 . 14 1 1 A 24 24 ALA CB C 24 18.700 18.267 0.433 1
1 212 . 14 1 1 A 24 24 ALA N N 24 131.900 128.750 3.150 1
1 213 . 14 1 1 A 25 25 LYS H H 25 9.200 7.695 1.505 1
1 214 . 14 1 1 A 25 25 LYS HA H 25 4.380 4.442 -0.062 1
1 222 . 14 1 1 A 25 25 LYS C C 25 178.100 178.579 -0.479 1
1 223 . 14 1 1 A 25 25 LYS CA C 25 57.900 58.413 -0.513 1
1 224 . 14 1 1 A 25 25 LYS CB C 25 33.500 33.429 0.071 1
1 228 . 14 1 1 A 25 25 LYS N N 25 120.000 116.563 3.437 1
1 229 . 14 1 1 A 26 26 CYS H H 26 8.730 8.031 0.699 1
1 230 . 14 1 1 A 26 26 CYS HA H 26 5.000 4.242 0.758 1
1 233 . 14 1 1 A 26 26 CYS C C 26 177.000 175.245 1.755 1
1 234 . 14 1 1 A 26 26 CYS CA C 26 59.400 62.614 -3.214 1
1 235 . 14 1 1 A 26 26 CYS CB C 26 32.900 27.598 5.302 1
1 236 . 14 1 1 A 26 26 CYS N N 26 120.900 118.414 2.486 1
1 237 . 14 1 1 A 27 27 SER H H 27 8.170 8.097 0.073 1
1 238 . 14 1 1 A 27 27 SER HA H 27 4.140 4.301 -0.161 1
1 241 . 14 1 1 A 27 27 SER C C 27 174.800 173.782 1.018 1
1 242 . 14 1 1 A 27 27 SER CA C 27 60.900 59.353 1.547 1
1 243 . 14 1 1 A 27 27 SER CB C 27 61.600 61.066 0.534 1
1 244 . 14 1 1 A 27 27 SER N N 27 115.800 115.395 0.405 1
1 245 . 14 1 1 A 28 28 TYR H H 28 9.010 7.812 1.198 1
1 246 . 14 1 1 A 28 28 TYR HA H 28 4.420 4.794 -0.374 1
1 249 . 14 1 1 A 28 28 TYR C C 28 176.600 174.760 1.840 1
1 250 . 14 1 1 A 28 28 TYR CA C 28 59.300 57.017 2.283 1
1 251 . 14 1 1 A 28 28 TYR CB C 28 39.600 39.478 0.122 1
1 252 . 14 1 1 A 28 28 TYR N N 28 127.100 122.894 4.206 1
1 253 . 14 1 1 A 29 29 GLU H H 29 7.730 8.928 -1.198 1
1 254 . 14 1 1 A 29 29 GLU HA H 29 3.670 4.953 -1.283 1
1 259 . 14 1 1 A 29 29 GLU C C 29 174.900 176.270 -1.370 1
1 260 . 14 1 1 A 29 29 GLU CA C 29 58.700 56.581 2.119 1
1 261 . 14 1 1 A 29 29 GLU CB C 29 29.800 29.976 -0.176 1
1 263 . 14 1 1 A 29 29 GLU N N 29 124.500 126.568 -2.068 1
1 264 . 14 1 1 A 30 30 LEU H H 30 7.940 8.388 -0.448 1
1 265 . 14 1 1 A 30 30 LEU HA H 30 4.140 5.161 -1.021 1
1 274 . 14 1 1 A 30 30 LEU C C 30 175.400 175.445 -0.045 1
1 275 . 14 1 1 A 30 30 LEU CA C 30 56.200 53.633 2.567 1
1 276 . 14 1 1 A 30 30 LEU CB C 30 46.700 45.399 1.301 1
1 277 . 14 1 1 A 30 30 LEU N N 30 121.800 120.637 1.163 1
1 278 . 14 1 1 A 31 31 PHE H H 31 7.880 8.906 -1.026 1
1 279 . 14 1 1 A 31 31 PHE HA H 31 4.720 5.012 -0.292 1
1 282 . 14 1 1 A 31 31 PHE C C 31 174.600 173.688 0.912 1
1 283 . 14 1 1 A 31 31 PHE CA C 31 56.600 57.767 -1.167 1
1 284 . 14 1 1 A 31 31 PHE CB C 31 45.300 42.119 3.181 1
1 285 . 14 1 1 A 31 31 PHE N N 31 113.300 124.401 -11.101 1
1 286 . 14 1 1 A 32 32 SER H H 32 10.030 8.405 1.625 1
1 287 . 14 1 1 A 32 32 SER HA H 32 4.860 4.530 0.330 1
1 290 . 14 1 1 A 32 32 SER CA C 32 57.000 58.108 -1.108 1
1 291 . 14 1 1 A 32 32 SER CB C 32 63.700 63.711 -0.011 1
1 292 . 14 1 1 A 32 32 SER N N 32 118.700 122.875 -4.175 1
1 293 . 14 1 1 A 33 33 SER H H 33 8.990 8.559 0.431 1
1 294 . 14 1 1 A 33 33 SER HA H 33 4.840 4.476 0.364 1
1 297 . 14 1 1 A 33 33 SER C C 33 177.300 174.945 2.355 1
1 298 . 14 1 1 A 33 33 SER CA C 33 63.700 59.542 4.158 1
1 299 . 14 1 1 A 33 33 SER CB C 33 63.700 63.665 0.035 1
1 300 . 14 1 1 A 33 33 SER N N 33 123.100 118.828 4.272 1
1 301 . 14 1 1 A 34 34 HIS HA H 34 4.710 4.610 0.100 1
1 304 . 14 1 1 A 34 34 HIS C C 34 175.800 176.641 -0.841 1
1 305 . 14 1 1 A 34 34 HIS CA C 34 57.900 57.012 0.888 1
1 306 . 14 1 1 A 34 34 HIS CB C 34 28.600 31.139 -2.539 1
1 307 . 14 1 1 A 35 35 SER H H 35 7.960 7.789 0.171 1
1 308 . 14 1 1 A 35 35 SER HA H 35 4.820 3.966 0.854 1
1 311 . 14 1 1 A 35 35 SER C C 35 173.200 174.023 -0.823 1
1 312 . 14 1 1 A 35 35 SER CA C 35 58.100 60.204 -2.104 1
1 313 . 14 1 1 A 35 35 SER CB C 35 65.300 62.481 2.819 1
1 314 . 14 1 1 A 35 35 SER N N 35 114.500 113.101 1.399 1
1 315 . 14 1 1 A 36 36 LYS H H 36 7.630 7.478 0.152 1
1 316 . 14 1 1 A 36 36 LYS HA H 36 4.890 4.618 0.272 1
1 322 . 14 1 1 A 36 36 LYS C C 36 176.100 173.981 2.119 1
1 323 . 14 1 1 A 36 36 LYS CA C 36 55.400 54.982 0.418 1
1 324 . 14 1 1 A 36 36 LYS CB C 36 35.400 36.126 -0.726 1
1 328 . 14 1 1 A 36 36 LYS N N 36 126.900 120.152 6.748 1
1 329 . 14 1 1 A 37 37 TYR H H 37 8.440 8.642 -0.202 1
1 330 . 14 1 1 A 37 37 TYR HA H 37 5.100 5.129 -0.029 1
1 333 . 14 1 1 A 37 37 TYR C C 37 172.800 174.682 -1.882 1
1 334 . 14 1 1 A 37 37 TYR CA C 37 55.400 56.536 -1.136 1
1 335 . 14 1 1 A 37 37 TYR CB C 37 41.000 43.314 -2.314 1
1 336 . 14 1 1 A 37 37 TYR N N 37 124.200 122.894 1.306 1
1 337 . 14 1 1 A 38 38 ALA H H 38 8.590 8.552 0.038 1
1 338 . 14 1 1 A 38 38 ALA HA H 38 4.630 4.991 -0.361 1
1 342 . 14 1 1 A 38 38 ALA C C 38 175.900 176.692 -0.792 1
1 343 . 14 1 1 A 38 38 ALA CA C 38 52.500 50.880 1.620 1
1 344 . 14 1 1 A 38 38 ALA CB C 38 18.300 20.598 -2.298 1
1 345 . 14 1 1 A 38 38 ALA N N 38 125.100 123.890 1.210 1
1 346 . 14 1 1 A 39 39 HIS H H 39 8.080 8.691 -0.611 1
1 347 . 14 1 1 A 39 39 HIS HA H 39 4.620 4.969 -0.349 1
1 352 . 14 1 1 A 39 39 HIS C C 39 174.100 172.390 1.710 1
1 353 . 14 1 1 A 39 39 HIS CA C 39 57.000 55.950 1.050 1
1 354 . 14 1 1 A 39 39 HIS CB C 39 34.600 33.567 1.033 1
1 355 . 14 1 1 A 39 39 HIS N N 39 125.600 121.969 3.631 1
1 356 . 14 1 1 A 40 40 SER H H 40 6.860 8.193 -1.333 1
1 357 . 14 1 1 A 40 40 SER HA H 40 4.060 4.863 -0.803 1
1 360 . 14 1 1 A 40 40 SER C C 40 174.900 173.107 1.793 1
1 361 . 14 1 1 A 40 40 SER CA C 40 58.800 57.394 1.406 1
1 362 . 14 1 1 A 40 40 SER CB C 40 62.700 63.883 -1.183 1
1 363 . 14 1 1 A 40 40 SER N N 40 118.700 121.565 -2.865 1
1 364 . 14 1 1 A 41 41 SER H H 41 9.140 8.832 0.308 1
1 365 . 14 1 1 A 41 41 SER HA H 41 4.480 4.942 -0.462 1
1 368 . 14 1 1 A 41 41 SER C C 41 173.600 171.469 2.131 1
1 369 . 14 1 1 A 41 41 SER CA C 41 57.800 56.574 1.226 1
1 370 . 14 1 1 A 41 41 SER CB C 41 63.600 65.223 -1.623 1
1 371 . 14 1 1 A 41 41 SER N N 41 122.500 119.965 2.535 1
1 372 . 14 1 1 A 42 42 PRO HA H 42 4.040 4.134 -0.094 1
1 379 . 14 1 1 A 42 42 PRO C C 42 174.900 176.661 -1.761 1
1 380 . 14 1 1 A 42 42 PRO CA C 42 63.700 63.270 0.430 1
1 381 . 14 1 1 A 42 42 PRO CB C 42 31.500 31.845 -0.345 1
1 384 . 14 1 1 A 43 43 TRP H H 43 6.590 7.917 -1.327 1
1 385 . 14 1 1 A 43 43 TRP HA H 43 4.850 4.163 0.687 1
1 394 . 14 1 1 A 43 43 TRP C C 43 174.100 175.081 -0.981 1
1 395 . 14 1 1 A 43 43 TRP CA C 43 57.300 57.703 -0.403 1
1 396 . 14 1 1 A 43 43 TRP CB C 43 29.500 27.540 1.960 1
1 397 . 14 1 1 A 43 43 TRP N N 43 113.900 117.497 -3.597 1
1 399 . 14 1 1 A 44 44 PRO HA H 44 3.810 4.724 -0.914 1
1 405 . 14 1 1 A 44 44 PRO C C 44 174.800 175.732 -0.932 1
1 406 . 14 1 1 A 44 44 PRO CA C 44 63.200 62.704 0.496 1
1 407 . 14 1 1 A 44 44 PRO CB C 44 32.200 33.223 -1.023 1
1 410 . 14 1 1 A 45 45 ALA H H 45 7.850 8.157 -0.307 1
1 411 . 14 1 1 A 45 45 ALA HA H 45 5.260 5.015 0.245 1
1 415 . 14 1 1 A 45 45 ALA C C 45 174.800 175.546 -0.746 1
1 416 . 14 1 1 A 45 45 ALA CA C 45 50.100 51.087 -0.987 1
1 417 . 14 1 1 A 45 45 ALA CB C 45 20.800 23.543 -2.743 1
1 418 . 14 1 1 A 45 45 ALA N N 45 126.700 119.897 6.803 1
1 419 . 14 1 1 A 46 46 PHE H H 46 8.080 9.022 -0.942 1
1 420 . 14 1 1 A 46 46 PHE HA H 46 5.860 5.077 0.783 1
1 424 . 14 1 1 A 46 46 PHE C C 46 177.800 175.530 2.270 1
1 425 . 14 1 1 A 46 46 PHE CA C 46 54.800 56.570 -1.770 1
1 426 . 14 1 1 A 46 46 PHE CB C 46 44.500 42.790 1.710 1
1 427 . 14 1 1 A 46 46 PHE N N 46 115.600 116.348 -0.748 1
1 428 . 14 1 1 A 47 47 THR H H 47 9.190 8.211 0.979 1
1 429 . 14 1 1 A 47 47 THR HA H 47 5.220 4.711 0.509 1
1 434 . 14 1 1 A 47 47 THR C C 47 175.000 173.672 1.328 1
1 435 . 14 1 1 A 47 47 THR CA C 47 63.000 62.260 0.740 1
1 436 . 14 1 1 A 47 47 THR CB C 47 70.500 70.491 0.009 1
1 438 . 14 1 1 A 47 47 THR N N 47 109.900 111.087 -1.187 1
1 439 . 14 1 1 A 48 48 GLU H H 48 7.320 7.579 -0.259 1
1 440 . 14 1 1 A 48 48 GLU HA H 48 4.920 4.307 0.613 1
1 445 . 14 1 1 A 48 48 GLU C C 48 175.400 174.054 1.346 1
1 446 . 14 1 1 A 48 48 GLU CA C 48 55.200 54.142 1.058 1
1 447 . 14 1 1 A 48 48 GLU CB C 48 31.900 32.356 -0.456 1
1 449 . 14 1 1 A 48 48 GLU N N 48 115.400 118.334 -2.934 1
1 450 . 14 1 1 A 49 49 THR H H 49 8.150 8.055 0.095 1
1 451 . 14 1 1 A 49 49 THR HA H 49 4.090 4.705 -0.615 1
1 456 . 14 1 1 A 49 49 THR C C 49 175.800 175.896 -0.096 1
1 457 . 14 1 1 A 49 49 THR CA C 49 60.000 59.283 0.717 1
1 458 . 14 1 1 A 49 49 THR CB C 49 70.400 71.987 -1.587 1
1 460 . 14 1 1 A 49 49 THR N N 49 111.400 108.362 3.038 1
1 461 . 14 1 1 A 50 50 ILE H H 50 7.720 8.143 -0.423 1
1 462 . 14 1 1 A 50 50 ILE HA H 50 3.630 3.719 -0.089 1
1 472 . 14 1 1 A 50 50 ILE C C 50 174.500 176.610 -2.110 1
1 473 . 14 1 1 A 50 50 ILE CA C 50 64.100 64.102 -0.002 1
1 474 . 14 1 1 A 50 50 ILE CB C 50 38.700 38.137 0.563 1
1 478 . 14 1 1 A 50 50 ILE N N 50 121.700 121.306 0.394 1
1 479 . 14 1 1 A 51 51 HIS H H 51 7.400 7.855 -0.455 1
1 480 . 14 1 1 A 51 51 HIS HA H 51 5.300 4.803 0.497 1
1 484 . 14 1 1 A 51 51 HIS C C 51 175.500 174.463 1.037 1
1 485 . 14 1 1 A 51 51 HIS CA C 51 51.800 54.355 -2.555 1
1 486 . 14 1 1 A 51 51 HIS CB C 51 29.700 33.988 -4.288 1
1 487 . 14 1 1 A 51 51 HIS N N 51 115.500 117.974 -2.474 1
1 488 . 14 1 1 A 52 52 PRO HA H 52 4.350 4.226 0.124 1
1 495 . 14 1 1 A 52 52 PRO C C 52 176.900 178.025 -1.125 1
1 496 . 14 1 1 A 52 52 PRO CA C 52 64.800 65.367 -0.567 1
1 497 . 14 1 1 A 52 52 PRO CB C 52 31.300 31.773 -0.473 1
1 500 . 14 1 1 A 53 53 ASP H H 53 8.070 8.875 -0.805 1
1 501 . 14 1 1 A 53 53 ASP HA H 53 4.760 4.453 0.307 1
1 504 . 14 1 1 A 53 53 ASP C C 53 176.900 177.331 -0.431 1
1 505 . 14 1 1 A 53 53 ASP CA C 53 52.100 55.484 -3.384 1
1 506 . 14 1 1 A 53 53 ASP CB C 53 39.700 39.192 0.508 1
1 507 . 14 1 1 A 53 53 ASP N N 53 114.300 117.334 -3.034 1
1 508 . 14 1 1 A 54 54 SER H H 54 7.720 8.190 -0.470 1
1 509 . 14 1 1 A 54 54 SER HA H 54 4.040 4.505 -0.465 1
1 512 . 14 1 1 A 54 54 SER C C 54 173.200 174.245 -1.045 1
1 513 . 14 1 1 A 54 54 SER CA C 54 64.100 59.964 4.136 1
1 514 . 14 1 1 A 54 54 SER CB C 54 64.200 63.901 0.299 1
1 515 . 14 1 1 A 54 54 SER N N 54 116.300 114.593 1.707 1
1 516 . 14 1 1 A 55 55 VAL H H 55 7.360 7.371 -0.011 1
1 517 . 14 1 1 A 55 55 VAL HA H 55 5.280 4.761 0.519 1
1 525 . 14 1 1 A 55 55 VAL C C 55 175.700 173.692 2.008 1
1 526 . 14 1 1 A 55 55 VAL CA C 55 57.300 59.266 -1.966 1
1 527 . 14 1 1 A 55 55 VAL CB C 55 34.800 35.956 -1.156 1
1 530 . 14 1 1 A 55 55 VAL N N 55 105.200 114.532 -9.332 1
1 531 . 14 1 1 A 56 56 THR H H 56 8.780 8.623 0.157 1
1 532 . 14 1 1 A 56 56 THR HA H 56 4.530 5.149 -0.619 1
1 537 . 14 1 1 A 56 56 THR C C 56 173.800 173.344 0.456 1
1 538 . 14 1 1 A 56 56 THR CA C 56 60.500 59.780 0.720 1
1 539 . 14 1 1 A 56 56 THR CB C 56 70.400 71.729 -1.329 1
1 541 . 14 1 1 A 56 56 THR N N 56 116.000 116.220 -0.220 1
1 542 . 14 1 1 A 57 57 LYS H H 57 8.610 8.953 -0.343 1
1 543 . 14 1 1 A 57 57 LYS HA H 57 5.490 5.273 0.217 1
1 550 . 14 1 1 A 57 57 LYS C C 57 176.000 175.049 0.951 1
1 551 . 14 1 1 A 57 57 LYS CA C 57 54.600 54.190 0.410 1
1 552 . 14 1 1 A 57 57 LYS CB C 57 36.000 36.498 -0.498 1
1 556 . 14 1 1 A 57 57 LYS N N 57 121.900 124.558 -2.658 1
1 557 . 14 1 1 A 58 58 CYS H H 58 8.610 9.152 -0.542 1
1 558 . 14 1 1 A 58 58 CYS HA H 58 5.100 5.091 0.009 1
1 561 . 14 1 1 A 58 58 CYS CA C 58 55.200 56.229 -1.029 1
1 562 . 14 1 1 A 58 58 CYS CB C 58 29.700 30.734 -1.034 1
1 563 . 14 1 1 A 58 58 CYS N N 58 120.600 118.100 2.500 1
1 564 . 14 1 1 A 59 59 PRO HA H 59 4.590 4.500 0.090 1
1 571 . 14 1 1 A 59 59 PRO C C 59 176.600 176.744 -0.144 1
1 572 . 14 1 1 A 59 59 PRO CA C 59 63.700 62.333 1.367 1
1 573 . 14 1 1 A 59 59 PRO CB C 59 32.100 31.972 0.128 1
1 576 . 14 1 1 A 60 60 GLU H H 60 8.630 8.116 0.514 1
1 577 . 14 1 1 A 60 60 GLU HA H 60 4.450 4.485 -0.035 1
1 582 . 14 1 1 A 60 60 GLU C C 60 176.900 177.169 -0.269 1
1 583 . 14 1 1 A 60 60 GLU CA C 60 55.700 56.314 -0.614 1
1 584 . 14 1 1 A 60 60 GLU CB C 60 30.500 30.448 0.052 1
1 586 . 14 1 1 A 60 60 GLU N N 60 123.900 121.290 2.610 1
1 587 . 14 1 1 A 61 61 LYS H H 61 8.780 8.469 0.311 1
1 588 . 14 1 1 A 61 61 LYS HA H 61 3.930 4.581 -0.651 1
1 596 . 14 1 1 A 61 61 LYS C C 61 177.100 177.532 -0.432 1
1 597 . 14 1 1 A 61 61 LYS CA C 61 58.300 56.765 1.535 1
1 598 . 14 1 1 A 61 61 LYS CB C 61 31.900 34.079 -2.179 1
1 602 . 14 1 1 A 61 61 LYS N N 61 127.000 119.732 7.268 1
1 603 . 14 1 1 A 62 62 ASN H H 62 8.870 8.230 0.640 1
1 604 . 14 1 1 A 62 62 ASN HA H 62 4.520 4.798 -0.278 1
1 609 . 14 1 1 A 62 62 ASN C C 62 174.400 175.394 -0.994 1
1 610 . 14 1 1 A 62 62 ASN CA C 62 54.000 52.814 1.186 1
1 611 . 14 1 1 A 62 62 ASN CB C 62 38.000 38.124 -0.124 1
1 612 . 14 1 1 A 62 62 ASN N N 62 117.000 115.001 1.999 1
1 613 . 14 1 1 A 63 63 ARG H H 63 7.430 7.624 -0.194 1
1 614 . 14 1 1 A 63 63 ARG HA H 63 4.810 4.789 0.021 1
1 622 . 14 1 1 A 63 63 ARG C C 63 172.300 174.103 -1.803 1
1 623 . 14 1 1 A 63 63 ARG CA C 63 53.800 53.675 0.125 1
1 624 . 14 1 1 A 63 63 ARG CB C 63 31.300 30.919 0.381 1
1 627 . 14 1 1 A 63 63 ARG N N 63 119.200 119.570 -0.370 1
1 629 . 14 1 1 A 64 64 PRO HA H 64 4.350 4.537 -0.187 1
1 636 . 14 1 1 A 64 64 PRO C C 64 176.900 175.882 1.018 1
1 637 . 14 1 1 A 64 64 PRO CA C 64 64.200 62.858 1.342 1
1 638 . 14 1 1 A 64 64 PRO CB C 64 31.800 29.717 2.083 1
1 641 . 14 1 1 A 65 65 GLU H H 65 9.210 8.607 0.603 1
1 642 . 14 1 1 A 65 65 GLU HA H 65 4.280 4.518 -0.238 1
1 647 . 14 1 1 A 65 65 GLU C C 65 174.300 175.098 -0.798 1
1 648 . 14 1 1 A 65 65 GLU CA C 65 56.600 55.959 0.641 1
1 649 . 14 1 1 A 65 65 GLU CB C 65 28.200 31.421 -3.221 1
1 651 . 14 1 1 A 65 65 GLU N N 65 117.000 120.203 -3.203 1
1 652 . 14 1 1 A 66 66 ALA H H 66 8.040 7.014 1.026 1
1 653 . 14 1 1 A 66 66 ALA HA H 66 5.230 4.292 0.938 1
1 657 . 14 1 1 A 66 66 ALA C C 66 174.900 174.927 -0.027 1
1 658 . 14 1 1 A 66 66 ALA CA C 66 50.300 51.275 -0.975 1
1 659 . 14 1 1 A 66 66 ALA CB C 66 22.200 21.652 0.548 1
1 660 . 14 1 1 A 66 66 ALA N N 66 124.800 120.374 4.426 1
1 661 . 14 1 1 A 67 67 LEU H H 67 8.710 8.695 0.015 1
1 662 . 14 1 1 A 67 67 LEU HA H 67 4.800 4.882 -0.082 1
1 672 . 14 1 1 A 67 67 LEU C C 67 177.200 175.525 1.675 1
1 673 . 14 1 1 A 67 67 LEU CA C 67 52.800 53.398 -0.598 1
1 674 . 14 1 1 A 67 67 LEU CB C 67 43.200 46.128 -2.928 1
1 678 . 14 1 1 A 67 67 LEU N N 67 120.400 119.050 1.350 1
1 679 . 14 1 1 A 68 68 LYS H H 68 9.180 8.662 0.518 1
1 680 . 14 1 1 A 68 68 LYS HA H 68 4.050 4.161 -0.111 1
1 689 . 14 1 1 A 68 68 LYS C C 68 176.900 175.771 1.129 1
1 690 . 14 1 1 A 68 68 LYS CA C 68 57.100 55.759 1.341 1
1 691 . 14 1 1 A 68 68 LYS CB C 68 32.600 33.611 -1.011 1
1 695 . 14 1 1 A 68 68 LYS N N 68 125.300 123.059 2.241 1
1 696 . 14 1 1 A 69 69 VAL H H 69 8.150 7.852 0.298 1
1 697 . 14 1 1 A 69 69 VAL HA H 69 5.240 4.906 0.334 1
1 705 . 14 1 1 A 69 69 VAL C C 69 174.900 174.317 0.583 1
1 706 . 14 1 1 A 69 69 VAL CA C 69 59.900 60.259 -0.359 1
1 707 . 14 1 1 A 69 69 VAL CB C 69 34.700 35.283 -0.583 1
1 710 . 14 1 1 A 69 69 VAL N N 69 121.600 122.187 -0.587 1
1 711 . 14 1 1 A 70 70 SER H H 70 8.610 8.712 -0.102 1
1 712 . 14 1 1 A 70 70 SER HA H 70 5.210 4.987 0.223 1
1 715 . 14 1 1 A 70 70 SER C C 70 171.900 172.395 -0.495 1
1 716 . 14 1 1 A 70 70 SER CA C 70 56.600 56.948 -0.348 1
1 717 . 14 1 1 A 70 70 SER CB C 70 65.600 66.055 -0.455 1
1 718 . 14 1 1 A 70 70 SER N N 70 120.600 119.391 1.209 1
1 719 . 14 1 1 A 71 71 CYS H H 71 9.280 8.661 0.619 1
1 720 . 14 1 1 A 71 71 CYS HA H 71 4.130 4.569 -0.439 1
1 723 . 14 1 1 A 71 71 CYS C C 71 178.600 175.157 3.443 1
1 724 . 14 1 1 A 71 71 CYS CA C 71 61.600 58.217 3.383 1
1 725 . 14 1 1 A 71 71 CYS CB C 71 31.300 26.705 4.595 1
1 726 . 14 1 1 A 71 71 CYS N N 71 126.700 121.685 5.015 1
1 727 . 14 1 1 A 72 72 GLY H H 72 9.140 8.374 0.766 1
1 728 . 14 1 1 A 72 72 GLY HA2 H 72 3.760 3.877 -0.117 1
1 729 . 14 1 1 A 72 72 GLY HA3 H 72 3.670 3.877 -0.207 1
1 730 . 14 1 1 A 72 72 GLY C C 72 172.500 175.951 -3.451 1
1 731 . 14 1 1 A 72 72 GLY CA C 72 46.200 47.239 -1.039 1
1 732 . 14 1 1 A 72 72 GLY N N 72 120.100 113.773 6.327 1
1 733 . 14 1 1 A 73 73 LYS H H 73 9.090 8.037 1.053 1
1 734 . 14 1 1 A 73 73 LYS HA H 73 4.210 4.046 0.164 1
1 742 . 14 1 1 A 73 73 LYS C C 73 177.600 178.168 -0.568 1
1 743 . 14 1 1 A 73 73 LYS CA C 73 56.600 59.151 -2.551 1
1 744 . 14 1 1 A 73 73 LYS CB C 73 32.700 32.265 0.435 1
1 748 . 14 1 1 A 73 73 LYS N N 73 124.400 121.094 3.306 1
1 749 . 14 1 1 A 74 74 CYS H H 74 8.590 7.700 0.890 1
1 750 . 14 1 1 A 74 74 CYS HA H 74 4.910 4.638 0.272 1
1 753 . 14 1 1 A 74 74 CYS C C 74 177.400 175.576 1.824 1
1 754 . 14 1 1 A 74 74 CYS CA C 74 58.900 59.062 -0.162 1
1 755 . 14 1 1 A 74 74 CYS CB C 74 33.300 30.391 2.909 1
1 756 . 14 1 1 A 74 74 CYS N N 74 119.700 114.573 5.127 1
1 757 . 14 1 1 A 75 75 GLY H H 75 7.760 9.022 -1.262 1
1 758 . 14 1 1 A 75 75 GLY HA2 H 75 4.210 3.979 0.231 1
1 759 . 14 1 1 A 75 75 GLY HA3 H 75 3.750 3.981 -0.231 1
1 760 . 14 1 1 A 75 75 GLY C C 75 174.000 173.540 0.460 1
1 761 . 14 1 1 A 75 75 GLY CA C 75 46.100 46.474 -0.374 1
1 762 . 14 1 1 A 75 75 GLY N N 75 113.000 110.794 2.206 1
1 763 . 14 1 1 A 76 76 ASN H H 76 9.050 7.545 1.505 1
1 764 . 14 1 1 A 76 76 ASN HA H 76 4.500 5.223 -0.723 1
1 769 . 14 1 1 A 76 76 ASN C C 76 178.700 173.946 4.754 1
1 770 . 14 1 1 A 76 76 ASN CA C 76 54.700 51.256 3.444 1
1 771 . 14 1 1 A 76 76 ASN CB C 76 39.800 40.367 -0.567 1
1 772 . 14 1 1 A 76 76 ASN N N 76 123.700 117.918 5.782 1
1 774 . 14 1 1 A 77 77 GLY H H 77 8.660 8.426 0.234 1
1 775 . 14 1 1 A 77 77 GLY HA2 H 77 3.970 4.188 -0.218 1
1 776 . 14 1 1 A 77 77 GLY HA3 H 77 3.710 4.197 -0.487 1
1 777 . 14 1 1 A 77 77 GLY C C 77 173.800 174.802 -1.002 1
1 778 . 14 1 1 A 77 77 GLY CA C 77 47.300 45.620 1.680 1
1 779 . 14 1 1 A 77 77 GLY N N 77 115.600 109.316 6.284 1
1 780 . 14 1 1 A 78 78 LEU H H 78 8.600 8.814 -0.214 1
1 781 . 14 1 1 A 78 78 LEU HA H 78 4.810 4.077 0.733 1
1 791 . 14 1 1 A 78 78 LEU C C 78 173.800 177.304 -3.504 1
1 792 . 14 1 1 A 78 78 LEU CA C 78 54.900 58.431 -3.531 1
1 793 . 14 1 1 A 78 78 LEU CB C 78 45.000 41.994 3.006 1
1 797 . 14 1 1 A 78 78 LEU N N 78 122.700 124.488 -1.788 1
1 798 . 14 1 1 A 79 79 GLY H H 79 7.100 6.957 0.143 1
1 799 . 14 1 1 A 79 79 GLY HA2 H 79 4.650 4.026 0.624 1
1 800 . 14 1 1 A 79 79 GLY HA3 H 79 3.020 4.276 -1.256 1
1 801 . 14 1 1 A 79 79 GLY C C 79 173.000 171.443 1.557 1
1 802 . 14 1 1 A 79 79 GLY CA C 79 44.900 46.187 -1.287 1
1 803 . 14 1 1 A 79 79 GLY N N 79 102.400 103.375 -0.975 1
1 804 . 14 1 1 A 80 80 HIS H H 80 8.580 8.435 0.145 1
1 805 . 14 1 1 A 80 80 HIS HA H 80 5.470 5.344 0.126 1
1 810 . 14 1 1 A 80 80 HIS C C 80 172.300 173.433 -1.133 1
1 811 . 14 1 1 A 80 80 HIS CA C 80 55.000 54.291 0.709 1
1 812 . 14 1 1 A 80 80 HIS CB C 80 34.500 34.367 0.133 1
1 813 . 14 1 1 A 80 80 HIS N N 80 122.400 118.996 3.404 1
1 814 . 14 1 1 A 81 81 GLU H H 81 9.260 9.110 0.150 1
1 815 . 14 1 1 A 81 81 GLU HA H 81 4.100 5.095 -0.995 1
1 820 . 14 1 1 A 81 81 GLU C C 81 174.300 175.416 -1.116 1
1 821 . 14 1 1 A 81 81 GLU CA C 81 54.700 55.293 -0.593 1
1 822 . 14 1 1 A 81 81 GLU CB C 81 31.600 33.279 -1.679 1
1 824 . 14 1 1 A 81 81 GLU N N 81 123.700 120.845 2.855 1
1 825 . 14 1 1 A 82 82 PHE H H 82 9.150 9.020 0.130 1
1 826 . 14 1 1 A 82 82 PHE HA H 82 5.080 4.770 0.310 1
1 830 . 14 1 1 A 82 82 PHE C C 82 174.300 175.853 -1.553 1
1 831 . 14 1 1 A 82 82 PHE CA C 82 56.700 58.425 -1.725 1
1 832 . 14 1 1 A 82 82 PHE CB C 82 38.800 40.502 -1.702 1
1 833 . 14 1 1 A 82 82 PHE N N 82 126.900 127.582 -0.682 1
1 834 . 14 1 1 A 83 83 LEU H H 83 8.280 8.575 -0.295 1
1 835 . 14 1 1 A 83 83 LEU HA H 83 4.100 4.856 -0.756 1
1 845 . 14 1 1 A 83 83 LEU C C 83 176.200 176.939 -0.739 1
1 846 . 14 1 1 A 83 83 LEU CA C 83 55.500 53.271 2.229 1
1 847 . 14 1 1 A 83 83 LEU CB C 83 42.000 44.777 -2.777 1
1 849 . 14 1 1 A 83 83 LEU N N 83 126.900 123.388 3.512 1
1 850 . 14 1 1 A 84 84 ASN H H 84 9.260 9.040 0.220 1
1 851 . 14 1 1 A 84 84 ASN HA H 84 4.290 4.493 -0.203 1
1 856 . 14 1 1 A 84 84 ASN C C 84 174.400 174.759 -0.359 1
1 857 . 14 1 1 A 84 84 ASN CA C 84 54.800 54.596 0.204 1
1 858 . 14 1 1 A 84 84 ASN CB C 84 37.900 38.490 -0.590 1
1 859 . 14 1 1 A 84 84 ASN N N 84 116.900 119.904 -3.004 1
1 861 . 14 1 1 A 85 85 ASP H H 85 7.140 8.109 -0.969 1
1 862 . 14 1 1 A 85 85 ASP HA H 85 5.200 4.892 0.308 1
1 865 . 14 1 1 A 85 85 ASP C C 85 176.000 175.863 0.137 1
1 866 . 14 1 1 A 85 85 ASP CA C 85 53.800 54.032 -0.232 1
1 867 . 14 1 1 A 85 85 ASP CB C 85 45.500 42.907 2.593 1
1 868 . 14 1 1 A 85 85 ASP N N 85 117.200 118.831 -1.631 1
1 869 . 14 1 1 A 86 86 GLY H H 86 8.230 8.110 0.120 1
1 870 . 14 1 1 A 86 86 GLY HA2 H 86 4.140 4.453 -0.313 1
1 871 . 14 1 1 A 86 86 GLY HA3 H 86 3.280 4.464 -1.184 1
1 872 . 14 1 1 A 86 86 GLY C C 86 171.700 173.637 -1.937 1
1 873 . 14 1 1 A 86 86 GLY CA C 86 44.600 45.764 -1.164 1
1 874 . 14 1 1 A 86 86 GLY N N 86 107.600 106.775 0.825 1
1 875 . 14 1 1 A 87 87 PRO HA H 87 4.190 4.427 -0.237 1
1 882 . 14 1 1 A 87 87 PRO C C 87 177.000 178.083 -1.083 1
1 883 . 14 1 1 A 87 87 PRO CA C 87 65.200 64.551 0.649 1
1 884 . 14 1 1 A 87 87 PRO CB C 87 31.700 31.960 -0.260 1
1 887 . 14 1 1 A 88 88 LYS H H 88 7.310 8.101 -0.791 1
1 888 . 14 1 1 A 88 88 LYS HA H 88 4.480 4.345 0.135 1
1 897 . 14 1 1 A 88 88 LYS C C 88 175.700 176.813 -1.113 1
1 898 . 14 1 1 A 88 88 LYS CA C 88 53.700 57.729 -4.029 1
1 899 . 14 1 1 A 88 88 LYS CB C 88 34.900 33.131 1.769 1
1 903 . 14 1 1 A 88 88 LYS N N 88 116.200 116.370 -0.170 1
1 904 . 14 1 1 A 89 89 ARG H H 89 8.320 7.660 0.660 1
1 905 . 14 1 1 A 89 89 ARG HA H 89 4.010 4.424 -0.414 1
1 912 . 14 1 1 A 89 89 ARG C C 89 177.500 177.904 -0.404 1
1 913 . 14 1 1 A 89 89 ARG CA C 89 57.900 55.651 2.249 1
1 914 . 14 1 1 A 89 89 ARG CB C 89 32.100 31.123 0.977 1
1 917 . 14 1 1 A 89 89 ARG N N 89 122.200 118.978 3.222 1
1 919 . 14 1 1 A 90 90 GLY H H 90 8.950 8.477 0.473 1
1 920 . 14 1 1 A 90 90 GLY HA2 H 90 4.240 3.860 0.380 1
1 921 . 14 1 1 A 90 90 GLY HA3 H 90 3.850 3.863 -0.013 1
1 922 . 14 1 1 A 90 90 GLY C C 90 175.000 173.918 1.082 1
1 923 . 14 1 1 A 90 90 GLY CA C 90 45.100 46.556 -1.456 1
1 924 . 14 1 1 A 90 90 GLY N N 90 115.100 110.722 4.378 1
1 925 . 14 1 1 A 91 91 GLN H H 91 8.120 7.890 0.230 1
1 926 . 14 1 1 A 91 91 GLN HA H 91 4.580 4.869 -0.289 1
1 933 . 14 1 1 A 91 91 GLN C C 91 177.000 175.203 1.797 1
1 934 . 14 1 1 A 91 91 GLN CA C 91 55.900 54.353 1.547 1
1 935 . 14 1 1 A 91 91 GLN CB C 91 31.000 31.875 -0.875 1
1 937 . 14 1 1 A 91 91 GLN N N 91 120.900 120.085 0.815 1
1 938 . 14 1 1 A 92 92 SER H H 92 9.210 8.895 0.315 1
1 939 . 14 1 1 A 92 92 SER HA H 92 4.820 4.964 -0.144 1
1 942 . 14 1 1 A 92 92 SER C C 92 171.600 174.871 -3.271 1
1 943 . 14 1 1 A 92 92 SER CA C 92 57.700 57.111 0.589 1
1 944 . 14 1 1 A 92 92 SER CB C 92 65.200 64.602 0.598 1
1 945 . 14 1 1 A 92 92 SER N N 92 120.900 115.962 4.938 1
1 946 . 14 1 1 A 93 93 ARG H H 93 7.820 7.661 0.159 1
1 947 . 14 1 1 A 93 93 ARG HA H 93 4.950 4.859 0.091 1
1 952 . 14 1 1 A 93 93 ARG C C 93 176.400 173.952 2.448 1
1 953 . 14 1 1 A 93 93 ARG CA C 93 55.200 55.076 0.124 1
1 954 . 14 1 1 A 93 93 ARG CB C 93 34.600 33.306 1.294 1
1 957 . 14 1 1 A 93 93 ARG N N 93 117.800 120.596 -2.796 1
1 958 . 14 1 1 A 94 94 PHE H H 94 9.860 9.259 0.601 1
1 959 . 14 1 1 A 94 94 PHE HA H 94 4.780 5.668 -0.888 1
1 962 . 14 1 1 A 94 94 PHE C C 94 176.400 173.756 2.644 1
1 963 . 14 1 1 A 94 94 PHE CA C 94 58.300 55.892 2.408 1
1 964 . 14 1 1 A 94 94 PHE CB C 94 38.500 41.386 -2.886 1
1 965 . 14 1 1 A 94 94 PHE N N 94 127.100 124.808 2.292 1
1 966 . 14 1 1 A 95 95 CYS H H 95 9.190 8.642 0.548 1
1 967 . 14 1 1 A 95 95 CYS HA H 95 4.810 4.722 0.088 1
1 970 . 14 1 1 A 95 95 CYS CA C 95 57.300 57.881 -0.581 1
1 971 . 14 1 1 A 95 95 CYS CB C 95 28.700 27.736 0.964 1
1 972 . 14 1 1 A 95 95 CYS N N 95 128.200 127.169 1.031 1
1 973 . 14 1 1 A 96 96 ILE H H 96 7.510 8.934 -1.424 1
1 974 . 14 1 1 A 96 96 ILE HA H 96 4.620 4.624 -0.004 1
1 983 . 14 1 1 A 96 96 ILE C C 96 173.700 174.475 -0.775 1
1 984 . 14 1 1 A 96 96 ILE CA C 96 55.800 59.953 -4.153 1
1 985 . 14 1 1 A 96 96 ILE CB C 96 39.900 40.345 -0.445 1
1 989 . 14 1 1 A 96 96 ILE N N 96 130.700 129.994 0.706 1
1 990 . 14 1 1 A 97 97 PHE H H 97 8.040 8.754 -0.714 1
1 991 . 14 1 1 A 97 97 PHE HA H 97 4.920 4.938 -0.018 1
1 994 . 14 1 1 A 97 97 PHE C C 97 178.800 176.700 2.100 1
1 995 . 14 1 1 A 97 97 PHE CA C 97 57.500 57.804 -0.304 1
1 996 . 14 1 1 A 97 97 PHE CB C 97 38.400 40.876 -2.476 1
1 997 . 14 1 1 A 97 97 PHE N N 97 122.400 127.776 -5.376 1
1 998 . 14 1 1 A 98 98 SER HA H 98 4.380 4.401 -0.021 1
1 1001 . 14 1 1 A 98 98 SER C C 98 176.400 176.316 0.084 1
1 1002 . 14 1 1 A 98 98 SER CA C 98 64.900 60.281 4.619 1
1 1003 . 14 1 1 A 98 98 SER CB C 98 63.600 63.845 -0.245 1
1 1004 . 14 1 1 A 99 99 SER H H 99 9.360 8.021 1.339 1
1 1005 . 14 1 1 A 99 99 SER HA H 99 4.300 4.414 -0.114 1
1 1008 . 14 1 1 A 99 99 SER C C 99 175.800 175.123 0.677 1
1 1009 . 14 1 1 A 99 99 SER CA C 99 60.200 59.943 0.257 1
1 1010 . 14 1 1 A 99 99 SER CB C 99 62.700 62.687 0.013 1
1 1011 . 14 1 1 A 99 99 SER N N 99 114.100 117.288 -3.188 1
1 1012 . 14 1 1 A 100 100 SER H H 100 8.150 8.268 -0.118 1
1 1013 . 14 1 1 A 100 100 SER HA H 100 4.630 4.615 0.015 1
1 1016 . 14 1 1 A 100 100 SER C C 100 173.500 174.681 -1.181 1
1 1017 . 14 1 1 A 100 100 SER CA C 100 60.400 59.695 0.705 1
1 1018 . 14 1 1 A 100 100 SER CB C 100 63.600 64.296 -0.696 1
1 1019 . 14 1 1 A 100 100 SER N N 100 118.700 115.364 3.336 1
1 1020 . 14 1 1 A 101 101 LEU H H 101 8.100 7.431 0.669 1
1 1021 . 14 1 1 A 101 101 LEU HA H 101 5.570 4.859 0.711 1
1 1031 . 14 1 1 A 101 101 LEU C C 101 176.000 174.743 1.257 1
1 1032 . 14 1 1 A 101 101 LEU CA C 101 53.400 53.338 0.062 1
1 1033 . 14 1 1 A 101 101 LEU CB C 101 46.700 45.551 1.149 1
1 1036 . 14 1 1 A 101 101 LEU N N 101 122.000 116.160 5.840 1
1 1037 . 14 1 1 A 102 102 LYS H H 102 8.950 8.033 0.917 1
1 1038 . 14 1 1 A 102 102 LYS HA H 102 4.710 4.983 -0.273 1
1 1045 . 14 1 1 A 102 102 LYS C C 102 174.400 174.549 -0.149 1
1 1046 . 14 1 1 A 102 102 LYS CA C 102 55.400 54.208 1.192 1
1 1047 . 14 1 1 A 102 102 LYS CB C 102 36.500 36.675 -0.175 1
1 1051 . 14 1 1 A 102 102 LYS N N 102 119.500 117.686 1.814 1
1 1052 . 14 1 1 A 103 103 PHE H H 103 9.010 8.958 0.052 1
1 1053 . 14 1 1 A 103 103 PHE HA H 103 4.750 5.322 -0.572 1
1 1056 . 14 1 1 A 103 103 PHE C C 103 173.900 173.493 0.407 1
1 1057 . 14 1 1 A 103 103 PHE CA C 103 57.100 55.863 1.237 1
1 1058 . 14 1 1 A 103 103 PHE CB C 103 41.300 42.129 -0.829 1
1 1059 . 14 1 1 A 103 103 PHE N N 103 124.500 123.421 1.079 1
1 1060 . 14 1 1 A 104 104 VAL H H 104 8.550 8.594 -0.044 1
1 1061 . 14 1 1 A 104 104 VAL HA H 104 4.140 4.671 -0.531 1
1 1069 . 14 1 1 A 104 104 VAL C C 104 172.800 173.669 -0.869 1
1 1070 . 14 1 1 A 104 104 VAL CA C 104 58.800 58.632 0.168 1
1 1071 . 14 1 1 A 104 104 VAL CB C 104 32.300 33.152 -0.852 1
1 1074 . 14 1 1 A 104 104 VAL N N 104 132.000 128.020 3.980 1
1 1075 . 14 1 1 A 105 105 PRO HA H 105 4.110 4.330 -0.220 1
1 1082 . 14 1 1 A 105 105 PRO C C 105 176.400 176.909 -0.509 1
1 1083 . 14 1 1 A 105 105 PRO CA C 105 62.400 62.420 -0.020 1
1 1084 . 14 1 1 A 105 105 PRO CB C 105 32.400 31.892 0.508 1
1 1087 . 14 1 1 A 106 106 LYS H H 106 7.900 7.892 0.008 1
1 1088 . 14 1 1 A 106 106 LYS HA H 106 4.170 4.241 -0.071 1
1 1096 . 14 1 1 A 106 106 LYS C C 106 176.900 176.278 0.622 1
1 1097 . 14 1 1 A 106 106 LYS CA C 106 56.700 56.871 -0.171 1
1 1098 . 14 1 1 A 106 106 LYS CB C 106 33.500 33.860 -0.360 1
1 1102 . 14 1 1 A 106 106 LYS N N 106 123.200 122.511 0.689 1
1 1103 . 14 1 1 A 107 107 GLY H H 107 8.740 8.159 0.581 1
1 1104 . 14 1 1 A 107 107 GLY HA2 H 107 3.930 3.976 -0.046 1
1 1105 . 14 1 1 A 107 107 GLY HA3 H 107 3.960 3.998 -0.038 1
1 1106 . 14 1 1 A 107 107 GLY C C 107 174.000 175.514 -1.514 1
1 1107 . 14 1 1 A 107 107 GLY CA C 107 45.000 45.476 -0.476 1
1 1108 . 14 1 1 A 107 107 GLY N N 107 113.500 109.722 3.778 1
1 1109 . 14 1 1 A 108 108 LYS H H 108 8.240 8.386 -0.146 1
1 1110 . 14 1 1 A 108 108 LYS HA H 108 4.290 4.068 0.222 1
1 1118 . 14 1 1 A 108 108 LYS C C 108 176.700 178.906 -2.206 1
1 1119 . 14 1 1 A 108 108 LYS CA C 108 56.000 58.773 -2.773 1
1 1120 . 14 1 1 A 108 108 LYS CB C 108 32.700 32.438 0.262 1
1 1124 . 14 1 1 A 108 108 LYS N N 108 121.500 122.430 -0.930 1
1 1125 . 14 1 1 A 109 109 GLU H H 109 8.650 8.104 0.546 1
1 1126 . 14 1 1 A 109 109 GLU HA H 109 4.180 4.073 0.107 1
1 1131 . 14 1 1 A 109 109 GLU C C 109 176.500 176.174 0.326 1
1 1132 . 14 1 1 A 109 109 GLU CA C 109 56.600 59.418 -2.818 1
1 1133 . 14 1 1 A 109 109 GLU CB C 109 29.900 29.327 0.573 1
1 1135 . 14 1 1 A 109 109 GLU N N 109 122.800 119.268 3.532 1
1 1136 . 14 1 1 A 110 110 ALA H H 110 8.400 7.977 0.423 1
1 1137 . 14 1 1 A 110 110 ALA HA H 110 4.190 4.194 -0.004 1
1 1141 . 14 1 1 A 110 110 ALA CA C 110 52.500 53.307 -0.807 1
1 1142 . 14 1 1 A 110 110 ALA CB C 110 19.000 17.354 1.646 1
1 1143 . 14 1 1 A 110 110 ALA N N 110 126.100 121.396 4.704 1
1 1144 . 14 1 1 A 111 111 ALA H H 111 8.240 8.234 0.006 1
1 1145 . 14 1 1 A 111 111 ALA HA H 111 4.220 3.963 0.257 1
1 1149 . 14 1 1 A 111 111 ALA C C 111 177.800 176.604 1.196 1
1 1150 . 14 1 1 A 111 111 ALA CA C 111 52.600 53.353 -0.753 1
1 1151 . 14 1 1 A 111 111 ALA CB C 111 19.000 17.628 1.372 1
1 1152 . 14 1 1 A 111 111 ALA N N 111 123.800 111.167 12.633 1
1 1153 . 14 1 1 A 112 112 ALA H H 112 8.220 8.267 -0.047 1
1 1154 . 14 1 1 A 112 112 ALA HA H 112 4.250 4.128 0.122 1
1 1158 . 14 1 1 A 112 112 ALA C C 112 178.100 176.479 1.621 1
1 1159 . 14 1 1 A 112 112 ALA CA C 112 52.600 54.079 -1.479 1
1 1160 . 14 1 1 A 112 112 ALA CB C 112 19.100 18.149 0.951 1
1 1161 . 14 1 1 A 112 112 ALA N N 112 123.600 112.082 11.518 1
1 1162 . 14 1 1 A 113 113 SER H H 113 8.200 8.480 -0.280 1
1 1163 . 14 1 1 A 113 113 SER HA H 113 4.360 4.800 -0.440 1
1 1166 . 14 1 1 A 113 113 SER C C 113 174.800 172.335 2.465 1
1 1167 . 14 1 1 A 113 113 SER CA C 113 58.300 57.184 1.116 1
1 1168 . 14 1 1 A 113 113 SER CB C 113 63.500 64.981 -1.481 1
1 1169 . 14 1 1 A 113 113 SER N N 113 115.400 112.430 2.970 1
1 1170 . 14 1 1 A 114 114 GLN H H 114 8.320 8.583 -0.263 1
1 1171 . 14 1 1 A 114 114 GLN HA H 114 4.290 4.670 -0.380 1
1 1178 . 14 1 1 A 114 114 GLN C C 114 176.500 176.823 -0.323 1
1 1179 . 14 1 1 A 114 114 GLN CA C 114 55.900 56.237 -0.337 1
1 1180 . 14 1 1 A 114 114 GLN CB C 114 29.300 30.478 -1.178 1
1 1182 . 14 1 1 A 114 114 GLN N N 114 122.500 122.029 0.471 1
1 1183 . 14 1 1 A 115 115 GLY H H 115 8.370 8.906 -0.536 1
1 1184 . 14 1 1 A 115 115 GLY HA2 H 115 3.850 4.144 -0.294 1
1 1185 . 14 1 1 A 115 115 GLY HA3 H 115 3.850 4.237 -0.387 1
1 1186 . 14 1 1 A 115 115 GLY C C 115 173.900 174.127 -0.227 1
1 1187 . 14 1 1 A 115 115 GLY CA C 115 45.400 45.724 -0.324 1
1 1188 . 14 1 1 A 115 115 GLY N N 115 110.000 112.787 -2.787 1
1 1189 . 14 1 1 A 116 116 HIS H H 116 8.290 7.718 0.572 1
1 1190 . 14 1 1 A 116 116 HIS HA H 116 4.620 5.296 -0.676 1
1 1195 . 14 1 1 A 116 116 HIS C C 116 174.600 174.133 0.467 1
1 1196 . 14 1 1 A 116 116 HIS CA C 116 55.500 53.351 2.149 1
1 1197 . 14 1 1 A 116 116 HIS CB C 116 29.100 33.114 -4.014 1
1 1198 . 14 1 1 A 116 116 HIS N N 116 119.100 114.143 4.957 1
1 1199 . 14 1 1 A 117 117 LEU H H 117 8.220 8.554 -0.334 1
1 1200 . 14 1 1 A 117 117 LEU HA H 117 4.240 4.536 -0.296 1
1 1210 . 14 1 1 A 117 117 LEU C C 117 174.600 176.649 -2.049 1
1 1211 . 14 1 1 A 117 117 LEU CA C 117 55.100 53.785 1.315 1
1 1212 . 14 1 1 A 117 117 LEU CB C 117 42.300 43.163 -0.863 1
1 1216 . 14 1 1 A 117 117 LEU N N 117 124.100 119.794 4.306 1
1 1217 . 14 1 1 A 118 118 GLU H H 118 8.350 8.717 -0.367 1
1 1218 . 14 1 1 A 118 118 GLU HA H 118 4.160 4.520 -0.360 1
1 1223 . 14 1 1 A 118 118 GLU C C 118 176.000 176.064 -0.064 1
1 1224 . 14 1 1 A 118 118 GLU CA C 118 56.300 54.996 1.304 1
1 1225 . 14 1 1 A 118 118 GLU CB C 118 30.300 29.364 0.936 1
1 1227 . 14 1 1 A 118 118 GLU N N 118 122.300 117.996 4.304 1
1 1228 . 14 1 1 A 119 119 HIS H H 119 8.410 7.679 0.731 1
1 1229 . 14 1 1 A 119 119 HIS HA H 119 4.570 4.166 0.404 1
1 1232 . 14 1 1 A 119 119 HIS C C 119 174.500 174.341 0.159 1
1 1233 . 14 1 1 A 119 119 HIS CA C 119 55.400 55.520 -0.120 1
1 1234 . 14 1 1 A 119 119 HIS CB C 119 29.400 30.963 -1.563 1
1 1235 . 14 1 1 A 119 119 HIS N N 119 120.500 116.438 4.062 1
1 1236 . 14 1 1 A 120 120 HIS H H 120 8.530 8.797 -0.267 1
1 1237 . 14 1 1 A 120 120 HIS HA H 120 4.640 4.621 0.019 1
1 1240 . 14 1 1 A 120 120 HIS C C 120 174.400 175.429 -1.029 1
1 1241 . 14 1 1 A 120 120 HIS CA C 120 57.900 57.092 0.808 1
1 1242 . 14 1 1 A 120 120 HIS CB C 120 29.400 31.123 -1.723 1
1 1 . 15 1 1 A 3 3 PHE HA H 3 4.650 5.010 -0.360 1
1 4 . 15 1 1 A 3 3 PHE C C 3 174.500 174.595 -0.095 1
1 5 . 15 1 1 A 3 3 PHE CA C 3 57.800 56.502 1.298 1
1 6 . 15 1 1 A 3 3 PHE CB C 3 39.600 40.775 -1.175 1
1 7 . 15 1 1 A 4 4 CYS H H 4 8.270 8.841 -0.571 1
1 8 . 15 1 1 A 4 4 CYS HA H 4 4.380 4.353 0.027 1
1 11 . 15 1 1 A 4 4 CYS C C 4 173.800 173.059 0.741 1
1 12 . 15 1 1 A 4 4 CYS CA C 4 58.100 60.984 -2.884 1
1 13 . 15 1 1 A 4 4 CYS CB C 4 28.100 26.645 1.455 1
1 14 . 15 1 1 A 4 4 CYS N N 4 122.600 118.097 4.503 1
1 15 . 15 1 1 A 5 5 SER H H 5 8.250 8.890 -0.640 1
1 16 . 15 1 1 A 5 5 SER HA H 5 4.270 4.959 -0.689 1
1 19 . 15 1 1 A 5 5 SER C C 5 173.700 173.398 0.302 1
1 20 . 15 1 1 A 5 5 SER CA C 5 58.300 57.963 0.337 1
1 21 . 15 1 1 A 5 5 SER CB C 5 63.700 64.656 -0.956 1
1 22 . 15 1 1 A 5 5 SER N N 5 119.600 118.060 1.540 1
1 23 . 15 1 1 A 6 6 PHE H H 6 8.010 8.926 -0.916 1
1 24 . 15 1 1 A 6 6 PHE HA H 6 4.560 5.095 -0.535 1
1 28 . 15 1 1 A 6 6 PHE C C 6 173.700 175.091 -1.391 1
1 29 . 15 1 1 A 6 6 PHE CA C 6 57.600 55.610 1.990 1
1 30 . 15 1 1 A 6 6 PHE CB C 6 39.700 41.136 -1.436 1
1 31 . 15 1 1 A 6 6 PHE N N 6 122.500 124.186 -1.686 1
1 32 . 15 1 1 A 7 7 PHE H H 7 8.230 8.467 -0.237 1
1 33 . 15 1 1 A 7 7 PHE HA H 7 4.530 5.165 -0.635 1
1 36 . 15 1 1 A 7 7 PHE C C 7 175.800 174.516 1.284 1
1 37 . 15 1 1 A 7 7 PHE CA C 7 57.600 55.978 1.622 1
1 38 . 15 1 1 A 7 7 PHE CB C 7 39.700 41.973 -2.273 1
1 39 . 15 1 1 A 7 7 PHE N N 7 123.000 115.487 7.513 1
1 40 . 15 1 1 A 8 8 GLY H H 8 7.870 8.912 -1.042 1
1 41 . 15 1 1 A 8 8 GLY HA2 H 8 3.800 4.060 -0.260 1
1 42 . 15 1 1 A 8 8 GLY HA3 H 8 3.750 4.117 -0.367 1
1 43 . 15 1 1 A 8 8 GLY C C 8 174.300 175.381 -1.081 1
1 44 . 15 1 1 A 8 8 GLY CA C 8 45.300 46.513 -1.213 1
1 45 . 15 1 1 A 8 8 GLY N N 8 111.200 109.023 2.177 1
1 46 . 15 1 1 A 9 9 GLY H H 9 7.930 8.781 -0.851 1
1 47 . 15 1 1 A 9 9 GLY HA2 H 9 3.920 4.037 -0.117 1
1 48 . 15 1 1 A 9 9 GLY HA3 H 9 3.850 4.059 -0.209 1
1 49 . 15 1 1 A 9 9 GLY C C 9 175.200 174.163 1.037 1
1 50 . 15 1 1 A 9 9 GLY CA C 9 45.100 46.293 -1.193 1
1 51 . 15 1 1 A 9 9 GLY N N 9 108.400 105.657 2.743 1
1 52 . 15 1 1 A 10 10 GLU H H 10 8.400 8.253 0.147 1
1 53 . 15 1 1 A 10 10 GLU HA H 10 4.360 5.109 -0.749 1
1 58 . 15 1 1 A 10 10 GLU C C 10 178.400 176.080 2.320 1
1 59 . 15 1 1 A 10 10 GLU CA C 10 54.700 54.872 -0.172 1
1 60 . 15 1 1 A 10 10 GLU CB C 10 36.700 33.740 2.960 1
1 62 . 15 1 1 A 10 10 GLU N N 10 122.600 121.127 1.473 1
1 63 . 15 1 1 A 11 11 VAL H H 11 7.940 8.645 -0.705 1
1 64 . 15 1 1 A 11 11 VAL HA H 11 3.680 4.337 -0.657 1
1 72 . 15 1 1 A 11 11 VAL C C 11 176.600 175.843 0.757 1
1 73 . 15 1 1 A 11 11 VAL CA C 11 63.800 61.097 2.703 1
1 74 . 15 1 1 A 11 11 VAL CB C 11 31.200 33.286 -2.086 1
1 77 . 15 1 1 A 11 11 VAL N N 11 120.300 122.121 -1.821 1
1 78 . 15 1 1 A 12 12 PHE H H 12 7.730 8.037 -0.307 1
1 79 . 15 1 1 A 12 12 PHE HA H 12 5.200 4.212 0.988 1
1 83 . 15 1 1 A 12 12 PHE C C 12 177.100 177.094 0.006 1
1 84 . 15 1 1 A 12 12 PHE CA C 12 55.700 59.424 -3.724 1
1 85 . 15 1 1 A 12 12 PHE CB C 12 38.200 37.641 0.559 1
1 86 . 15 1 1 A 12 12 PHE N N 12 113.700 120.314 -6.614 1
1 87 . 15 1 1 A 13 13 GLN H H 13 8.080 7.579 0.501 1
1 88 . 15 1 1 A 13 13 GLN HA H 13 3.270 3.475 -0.205 1
1 95 . 15 1 1 A 13 13 GLN C C 13 175.400 177.851 -2.451 1
1 96 . 15 1 1 A 13 13 GLN CA C 13 62.100 58.019 4.081 1
1 97 . 15 1 1 A 13 13 GLN CB C 13 27.100 27.001 0.099 1
1 99 . 15 1 1 A 13 13 GLN N N 13 126.400 118.717 7.683 1
1 100 . 15 1 1 A 14 14 ASN H H 14 8.580 7.654 0.926 1
1 101 . 15 1 1 A 14 14 ASN HA H 14 5.010 4.451 0.559 1
1 106 . 15 1 1 A 14 14 ASN C C 14 173.000 174.883 -1.883 1
1 107 . 15 1 1 A 14 14 ASN CA C 14 51.500 55.690 -4.190 1
1 108 . 15 1 1 A 14 14 ASN CB C 14 37.900 38.453 -0.553 1
1 109 . 15 1 1 A 14 14 ASN N N 14 115.900 118.043 -2.143 1
1 111 . 15 1 1 A 15 15 HIS H H 15 6.070 7.439 -1.369 1
1 112 . 15 1 1 A 15 15 HIS HA H 15 4.370 5.402 -1.032 1
1 117 . 15 1 1 A 15 15 HIS C C 15 174.400 173.729 0.671 1
1 118 . 15 1 1 A 15 15 HIS CA C 15 56.600 53.614 2.986 1
1 119 . 15 1 1 A 15 15 HIS CB C 15 33.400 33.321 0.079 1
1 120 . 15 1 1 A 15 15 HIS N N 15 120.500 112.269 8.231 1
1 121 . 15 1 1 A 16 16 PHE H H 16 8.880 9.342 -0.462 1
1 122 . 15 1 1 A 16 16 PHE HA H 16 4.870 5.070 -0.200 1
1 125 . 15 1 1 A 16 16 PHE C C 16 174.300 175.182 -0.882 1
1 126 . 15 1 1 A 16 16 PHE CA C 16 57.100 56.087 1.013 1
1 127 . 15 1 1 A 16 16 PHE CB C 16 39.700 39.019 0.681 1
1 128 . 15 1 1 A 16 16 PHE N N 16 127.200 118.118 9.082 1
1 129 . 15 1 1 A 17 17 GLU H H 17 5.780 8.703 -2.923 1
1 130 . 15 1 1 A 17 17 GLU HA H 17 4.500 4.839 -0.339 1
1 135 . 15 1 1 A 17 17 GLU C C 17 174.300 175.933 -1.633 1
1 136 . 15 1 1 A 17 17 GLU CA C 17 53.500 55.201 -1.701 1
1 137 . 15 1 1 A 17 17 GLU CB C 17 30.700 30.143 0.557 1
1 139 . 15 1 1 A 17 17 GLU N N 17 119.900 121.991 -2.091 1
1 140 . 15 1 1 A 18 18 PRO HA H 18 4.630 4.668 -0.038 1
1 147 . 15 1 1 A 18 18 PRO C C 18 178.100 175.843 2.257 1
1 148 . 15 1 1 A 18 18 PRO CA C 18 62.700 63.075 -0.375 1
1 149 . 15 1 1 A 18 18 PRO CB C 18 31.400 33.407 -2.007 1
1 152 . 15 1 1 A 19 19 GLY H H 19 8.820 8.331 0.489 1
1 153 . 15 1 1 A 19 19 GLY HA2 H 19 4.500 3.817 0.683 1
1 154 . 15 1 1 A 19 19 GLY HA3 H 19 3.630 4.040 -0.410 1
1 155 . 15 1 1 A 19 19 GLY C C 19 171.000 171.571 -0.571 1
1 156 . 15 1 1 A 19 19 GLY CA C 19 46.200 44.757 1.443 1
1 157 . 15 1 1 A 19 19 GLY N N 19 111.300 107.082 4.218 1
1 158 . 15 1 1 A 20 20 VAL H H 20 8.070 7.969 0.101 1
1 159 . 15 1 1 A 20 20 VAL HA H 20 4.750 4.413 0.337 1
1 167 . 15 1 1 A 20 20 VAL C C 20 172.300 173.653 -1.353 1
1 168 . 15 1 1 A 20 20 VAL CA C 20 60.200 59.834 0.366 1
1 169 . 15 1 1 A 20 20 VAL CB C 20 36.100 35.488 0.612 1
1 172 . 15 1 1 A 20 20 VAL N N 20 120.700 119.107 1.593 1
1 173 . 15 1 1 A 21 21 TYR H H 21 9.560 8.190 1.370 1
1 174 . 15 1 1 A 21 21 TYR HA H 21 5.230 5.507 -0.277 1
1 177 . 15 1 1 A 21 21 TYR C C 21 175.600 175.184 0.416 1
1 178 . 15 1 1 A 21 21 TYR CA C 21 56.800 56.013 0.787 1
1 179 . 15 1 1 A 21 21 TYR CB C 21 39.200 42.048 -2.848 1
1 180 . 15 1 1 A 21 21 TYR N N 21 123.200 121.399 1.801 1
1 181 . 15 1 1 A 22 22 VAL H H 22 9.400 8.859 0.541 1
1 182 . 15 1 1 A 22 22 VAL HA H 22 4.950 5.297 -0.347 1
1 190 . 15 1 1 A 22 22 VAL C C 22 174.000 174.668 -0.668 1
1 191 . 15 1 1 A 22 22 VAL CA C 22 57.100 58.997 -1.897 1
1 192 . 15 1 1 A 22 22 VAL CB C 22 33.900 35.528 -1.628 1
1 195 . 15 1 1 A 22 22 VAL N N 22 119.100 116.915 2.185 1
1 196 . 15 1 1 A 23 23 CYS H H 23 9.020 8.735 0.285 1
1 197 . 15 1 1 A 23 23 CYS HA H 23 4.260 4.689 -0.429 1
1 200 . 15 1 1 A 23 23 CYS C C 23 178.700 175.996 2.704 1
1 201 . 15 1 1 A 23 23 CYS CA C 23 60.600 59.575 1.025 1
1 202 . 15 1 1 A 23 23 CYS CB C 23 31.700 28.678 3.022 1
1 203 . 15 1 1 A 23 23 CYS N N 23 123.800 122.376 1.424 1
1 204 . 15 1 1 A 24 24 ALA H H 24 8.760 8.771 -0.011 1
1 205 . 15 1 1 A 24 24 ALA HA H 24 3.840 4.117 -0.277 1
1 209 . 15 1 1 A 24 24 ALA C C 24 177.500 179.413 -1.913 1
1 210 . 15 1 1 A 24 24 ALA CA C 24 55.000 55.414 -0.414 1
1 211 . 15 1 1 A 24 24 ALA CB C 24 18.700 18.486 0.214 1
1 212 . 15 1 1 A 24 24 ALA N N 24 131.900 128.897 3.003 1
1 213 . 15 1 1 A 25 25 LYS H H 25 9.200 7.686 1.514 1
1 214 . 15 1 1 A 25 25 LYS HA H 25 4.380 4.489 -0.109 1
1 222 . 15 1 1 A 25 25 LYS C C 25 178.100 178.746 -0.646 1
1 223 . 15 1 1 A 25 25 LYS CA C 25 57.900 58.131 -0.231 1
1 224 . 15 1 1 A 25 25 LYS CB C 25 33.500 33.562 -0.062 1
1 228 . 15 1 1 A 25 25 LYS N N 25 120.000 117.308 2.692 1
1 229 . 15 1 1 A 26 26 CYS H H 26 8.730 8.035 0.695 1
1 230 . 15 1 1 A 26 26 CYS HA H 26 5.000 4.251 0.749 1
1 233 . 15 1 1 A 26 26 CYS C C 26 177.000 175.242 1.758 1
1 234 . 15 1 1 A 26 26 CYS CA C 26 59.400 62.228 -2.828 1
1 235 . 15 1 1 A 26 26 CYS CB C 26 32.900 27.385 5.515 1
1 236 . 15 1 1 A 26 26 CYS N N 26 120.900 118.681 2.219 1
1 237 . 15 1 1 A 27 27 SER H H 27 8.170 8.176 -0.006 1
1 238 . 15 1 1 A 27 27 SER HA H 27 4.140 4.319 -0.179 1
1 241 . 15 1 1 A 27 27 SER C C 27 174.800 174.029 0.771 1
1 242 . 15 1 1 A 27 27 SER CA C 27 60.900 59.418 1.482 1
1 243 . 15 1 1 A 27 27 SER CB C 27 61.600 61.095 0.505 1
1 244 . 15 1 1 A 27 27 SER N N 27 115.800 115.515 0.285 1
1 245 . 15 1 1 A 28 28 TYR H H 28 9.010 7.953 1.057 1
1 246 . 15 1 1 A 28 28 TYR HA H 28 4.420 4.679 -0.259 1
1 249 . 15 1 1 A 28 28 TYR C C 28 176.600 175.023 1.577 1
1 250 . 15 1 1 A 28 28 TYR CA C 28 59.300 57.432 1.868 1
1 251 . 15 1 1 A 28 28 TYR CB C 28 39.600 38.671 0.929 1
1 252 . 15 1 1 A 28 28 TYR N N 28 127.100 123.147 3.953 1
1 253 . 15 1 1 A 29 29 GLU H H 29 7.730 8.833 -1.103 1
1 254 . 15 1 1 A 29 29 GLU HA H 29 3.670 4.994 -1.324 1
1 259 . 15 1 1 A 29 29 GLU C C 29 174.900 176.593 -1.693 1
1 260 . 15 1 1 A 29 29 GLU CA C 29 58.700 56.925 1.775 1
1 261 . 15 1 1 A 29 29 GLU CB C 29 29.800 30.258 -0.458 1
1 263 . 15 1 1 A 29 29 GLU N N 29 124.500 127.296 -2.796 1
1 264 . 15 1 1 A 30 30 LEU H H 30 7.940 9.003 -1.063 1
1 265 . 15 1 1 A 30 30 LEU HA H 30 4.140 5.270 -1.130 1
1 274 . 15 1 1 A 30 30 LEU C C 30 175.400 175.249 0.151 1
1 275 . 15 1 1 A 30 30 LEU CA C 30 56.200 53.758 2.442 1
1 276 . 15 1 1 A 30 30 LEU CB C 30 46.700 45.437 1.263 1
1 277 . 15 1 1 A 30 30 LEU N N 30 121.800 121.334 0.466 1
1 278 . 15 1 1 A 31 31 PHE H H 31 7.880 9.062 -1.182 1
1 279 . 15 1 1 A 31 31 PHE HA H 31 4.720 5.209 -0.489 1
1 282 . 15 1 1 A 31 31 PHE C C 31 174.600 172.439 2.161 1
1 283 . 15 1 1 A 31 31 PHE CA C 31 56.600 56.479 0.121 1
1 284 . 15 1 1 A 31 31 PHE CB C 31 45.300 40.363 4.937 1
1 285 . 15 1 1 A 31 31 PHE N N 31 113.300 117.076 -3.776 1
1 286 . 15 1 1 A 32 32 SER H H 32 10.030 8.343 1.687 1
1 287 . 15 1 1 A 32 32 SER HA H 32 4.860 4.633 0.227 1
1 290 . 15 1 1 A 32 32 SER CA C 32 57.000 56.185 0.815 1
1 291 . 15 1 1 A 32 32 SER CB C 32 63.700 66.798 -3.098 1
1 292 . 15 1 1 A 32 32 SER N N 32 118.700 114.751 3.949 1
1 293 . 15 1 1 A 33 33 SER H H 33 8.990 8.439 0.551 1
1 294 . 15 1 1 A 33 33 SER HA H 33 4.840 4.320 0.520 1
1 297 . 15 1 1 A 33 33 SER C C 33 177.300 175.318 1.982 1
1 298 . 15 1 1 A 33 33 SER CA C 33 63.700 59.671 4.029 1
1 299 . 15 1 1 A 33 33 SER CB C 33 63.700 63.668 0.032 1
1 300 . 15 1 1 A 33 33 SER N N 33 123.100 119.806 3.294 1
1 301 . 15 1 1 A 34 34 HIS HA H 34 4.710 4.456 0.254 1
1 304 . 15 1 1 A 34 34 HIS C C 34 175.800 177.682 -1.882 1
1 305 . 15 1 1 A 34 34 HIS CA C 34 57.900 58.341 -0.441 1
1 306 . 15 1 1 A 34 34 HIS CB C 34 28.600 30.134 -1.534 1
1 307 . 15 1 1 A 35 35 SER H H 35 7.960 7.914 0.046 1
1 308 . 15 1 1 A 35 35 SER HA H 35 4.820 4.671 0.149 1
1 311 . 15 1 1 A 35 35 SER C C 35 173.200 174.846 -1.646 1
1 312 . 15 1 1 A 35 35 SER CA C 35 58.100 61.040 -2.940 1
1 313 . 15 1 1 A 35 35 SER CB C 35 65.300 63.232 2.068 1
1 314 . 15 1 1 A 35 35 SER N N 35 114.500 114.310 0.190 1
1 315 . 15 1 1 A 36 36 LYS H H 36 7.630 7.649 -0.019 1
1 316 . 15 1 1 A 36 36 LYS HA H 36 4.890 4.261 0.629 1
1 322 . 15 1 1 A 36 36 LYS C C 36 176.100 175.093 1.007 1
1 323 . 15 1 1 A 36 36 LYS CA C 36 55.400 55.064 0.336 1
1 324 . 15 1 1 A 36 36 LYS CB C 36 35.400 34.371 1.029 1
1 328 . 15 1 1 A 36 36 LYS N N 36 126.900 119.405 7.495 1
1 329 . 15 1 1 A 37 37 TYR H H 37 8.440 8.196 0.244 1
1 330 . 15 1 1 A 37 37 TYR HA H 37 5.100 5.643 -0.543 1
1 333 . 15 1 1 A 37 37 TYR C C 37 172.800 173.119 -0.319 1
1 334 . 15 1 1 A 37 37 TYR CA C 37 55.400 55.087 0.313 1
1 335 . 15 1 1 A 37 37 TYR CB C 37 41.000 41.478 -0.478 1
1 336 . 15 1 1 A 37 37 TYR N N 37 124.200 117.908 6.292 1
1 337 . 15 1 1 A 38 38 ALA H H 38 8.590 8.563 0.027 1
1 338 . 15 1 1 A 38 38 ALA HA H 38 4.630 4.959 -0.329 1
1 342 . 15 1 1 A 38 38 ALA C C 38 175.900 176.650 -0.750 1
1 343 . 15 1 1 A 38 38 ALA CA C 38 52.500 50.763 1.737 1
1 344 . 15 1 1 A 38 38 ALA CB C 38 18.300 20.147 -1.847 1
1 345 . 15 1 1 A 38 38 ALA N N 38 125.100 123.153 1.947 1
1 346 . 15 1 1 A 39 39 HIS H H 39 8.080 8.802 -0.722 1
1 347 . 15 1 1 A 39 39 HIS HA H 39 4.620 5.027 -0.407 1
1 352 . 15 1 1 A 39 39 HIS C C 39 174.100 172.599 1.501 1
1 353 . 15 1 1 A 39 39 HIS CA C 39 57.000 56.102 0.898 1
1 354 . 15 1 1 A 39 39 HIS CB C 39 34.600 33.659 0.941 1
1 355 . 15 1 1 A 39 39 HIS N N 39 125.600 121.812 3.788 1
1 356 . 15 1 1 A 40 40 SER H H 40 6.860 8.285 -1.425 1
1 357 . 15 1 1 A 40 40 SER HA H 40 4.060 4.796 -0.736 1
1 360 . 15 1 1 A 40 40 SER C C 40 174.900 173.119 1.781 1
1 361 . 15 1 1 A 40 40 SER CA C 40 58.800 57.321 1.479 1
1 362 . 15 1 1 A 40 40 SER CB C 40 62.700 63.881 -1.181 1
1 363 . 15 1 1 A 40 40 SER N N 40 118.700 122.212 -3.512 1
1 364 . 15 1 1 A 41 41 SER H H 41 9.140 8.716 0.424 1
1 365 . 15 1 1 A 41 41 SER HA H 41 4.480 4.690 -0.210 1
1 368 . 15 1 1 A 41 41 SER C C 41 173.600 171.456 2.144 1
1 369 . 15 1 1 A 41 41 SER CA C 41 57.800 56.843 0.957 1
1 370 . 15 1 1 A 41 41 SER CB C 41 63.600 65.807 -2.207 1
1 371 . 15 1 1 A 41 41 SER N N 41 122.500 120.133 2.367 1
1 372 . 15 1 1 A 42 42 PRO HA H 42 4.040 4.064 -0.024 1
1 379 . 15 1 1 A 42 42 PRO C C 42 174.900 176.661 -1.761 1
1 380 . 15 1 1 A 42 42 PRO CA C 42 63.700 63.218 0.482 1
1 381 . 15 1 1 A 42 42 PRO CB C 42 31.500 31.806 -0.306 1
1 384 . 15 1 1 A 43 43 TRP H H 43 6.590 7.816 -1.226 1
1 385 . 15 1 1 A 43 43 TRP HA H 43 4.850 3.956 0.894 1
1 394 . 15 1 1 A 43 43 TRP C C 43 174.100 174.985 -0.885 1
1 395 . 15 1 1 A 43 43 TRP CA C 43 57.300 57.538 -0.238 1
1 396 . 15 1 1 A 43 43 TRP CB C 43 29.500 27.221 2.279 1
1 397 . 15 1 1 A 43 43 TRP N N 43 113.900 117.387 -3.487 1
1 399 . 15 1 1 A 44 44 PRO HA H 44 3.810 4.752 -0.942 1
1 405 . 15 1 1 A 44 44 PRO C C 44 174.800 175.778 -0.978 1
1 406 . 15 1 1 A 44 44 PRO CA C 44 63.200 62.615 0.585 1
1 407 . 15 1 1 A 44 44 PRO CB C 44 32.200 32.863 -0.663 1
1 410 . 15 1 1 A 45 45 ALA H H 45 7.850 8.313 -0.463 1
1 411 . 15 1 1 A 45 45 ALA HA H 45 5.260 5.171 0.089 1
1 415 . 15 1 1 A 45 45 ALA C C 45 174.800 175.954 -1.154 1
1 416 . 15 1 1 A 45 45 ALA CA C 45 50.100 50.732 -0.632 1
1 417 . 15 1 1 A 45 45 ALA CB C 45 20.800 24.131 -3.331 1
1 418 . 15 1 1 A 45 45 ALA N N 45 126.700 120.435 6.265 1
1 419 . 15 1 1 A 46 46 PHE H H 46 8.080 8.908 -0.828 1
1 420 . 15 1 1 A 46 46 PHE HA H 46 5.860 4.783 1.077 1
1 424 . 15 1 1 A 46 46 PHE C C 46 177.800 176.288 1.512 1
1 425 . 15 1 1 A 46 46 PHE CA C 46 54.800 56.731 -1.931 1
1 426 . 15 1 1 A 46 46 PHE CB C 46 44.500 42.380 2.120 1
1 427 . 15 1 1 A 46 46 PHE N N 46 115.600 115.758 -0.158 1
1 428 . 15 1 1 A 47 47 THR H H 47 9.190 8.947 0.243 1
1 429 . 15 1 1 A 47 47 THR HA H 47 5.220 4.334 0.886 1
1 434 . 15 1 1 A 47 47 THR C C 47 175.000 174.430 0.570 1
1 435 . 15 1 1 A 47 47 THR CA C 47 63.000 65.739 -2.739 1
1 436 . 15 1 1 A 47 47 THR CB C 47 70.500 68.904 1.596 1
1 438 . 15 1 1 A 47 47 THR N N 47 109.900 116.197 -6.297 1
1 439 . 15 1 1 A 48 48 GLU H H 48 7.320 7.904 -0.584 1
1 440 . 15 1 1 A 48 48 GLU HA H 48 4.920 4.802 0.118 1
1 445 . 15 1 1 A 48 48 GLU C C 48 175.400 175.316 0.084 1
1 446 . 15 1 1 A 48 48 GLU CA C 48 55.200 54.694 0.506 1
1 447 . 15 1 1 A 48 48 GLU CB C 48 31.900 33.070 -1.170 1
1 449 . 15 1 1 A 48 48 GLU N N 48 115.400 119.312 -3.912 1
1 450 . 15 1 1 A 49 49 THR H H 49 8.150 8.369 -0.219 1
1 451 . 15 1 1 A 49 49 THR HA H 49 4.090 4.858 -0.768 1
1 456 . 15 1 1 A 49 49 THR C C 49 175.800 174.789 1.011 1
1 457 . 15 1 1 A 49 49 THR CA C 49 60.000 60.524 -0.524 1
1 458 . 15 1 1 A 49 49 THR CB C 49 70.400 70.937 -0.537 1
1 460 . 15 1 1 A 49 49 THR N N 49 111.400 111.211 0.189 1
1 461 . 15 1 1 A 50 50 ILE H H 50 7.720 8.433 -0.713 1
1 462 . 15 1 1 A 50 50 ILE HA H 50 3.630 4.310 -0.680 1
1 472 . 15 1 1 A 50 50 ILE C C 50 174.500 176.245 -1.745 1
1 473 . 15 1 1 A 50 50 ILE CA C 50 64.100 60.965 3.135 1
1 474 . 15 1 1 A 50 50 ILE CB C 50 38.700 38.203 0.497 1
1 478 . 15 1 1 A 50 50 ILE N N 50 121.700 123.645 -1.945 1
1 479 . 15 1 1 A 51 51 HIS H H 51 7.400 7.531 -0.131 1
1 480 . 15 1 1 A 51 51 HIS HA H 51 5.300 4.593 0.707 1
1 484 . 15 1 1 A 51 51 HIS C C 51 175.500 173.231 2.269 1
1 485 . 15 1 1 A 51 51 HIS CA C 51 51.800 55.104 -3.304 1
1 486 . 15 1 1 A 51 51 HIS CB C 51 29.700 29.029 0.671 1
1 487 . 15 1 1 A 51 51 HIS N N 51 115.500 122.557 -7.057 1
1 488 . 15 1 1 A 52 52 PRO HA H 52 4.350 4.346 0.004 1
1 495 . 15 1 1 A 52 52 PRO C C 52 176.900 176.265 0.635 1
1 496 . 15 1 1 A 52 52 PRO CA C 52 64.800 62.687 2.113 1
1 497 . 15 1 1 A 52 52 PRO CB C 52 31.300 32.392 -1.092 1
1 500 . 15 1 1 A 53 53 ASP H H 53 8.070 8.626 -0.556 1
1 501 . 15 1 1 A 53 53 ASP HA H 53 4.760 4.336 0.424 1
1 504 . 15 1 1 A 53 53 ASP C C 53 176.900 177.193 -0.293 1
1 505 . 15 1 1 A 53 53 ASP CA C 53 52.100 55.147 -3.047 1
1 506 . 15 1 1 A 53 53 ASP CB C 53 39.700 39.933 -0.233 1
1 507 . 15 1 1 A 53 53 ASP N N 53 114.300 122.666 -8.366 1
1 508 . 15 1 1 A 54 54 SER H H 54 7.720 7.963 -0.243 1
1 509 . 15 1 1 A 54 54 SER HA H 54 4.040 4.385 -0.345 1
1 512 . 15 1 1 A 54 54 SER C C 54 173.200 174.312 -1.112 1
1 513 . 15 1 1 A 54 54 SER CA C 54 64.100 60.273 3.827 1
1 514 . 15 1 1 A 54 54 SER CB C 54 64.200 63.452 0.748 1
1 515 . 15 1 1 A 54 54 SER N N 54 116.300 114.636 1.664 1
1 516 . 15 1 1 A 55 55 VAL H H 55 7.360 7.450 -0.090 1
1 517 . 15 1 1 A 55 55 VAL HA H 55 5.280 4.152 1.128 1
1 525 . 15 1 1 A 55 55 VAL C C 55 175.700 175.081 0.619 1
1 526 . 15 1 1 A 55 55 VAL CA C 55 57.300 61.302 -4.002 1
1 527 . 15 1 1 A 55 55 VAL CB C 55 34.800 32.983 1.817 1
1 530 . 15 1 1 A 55 55 VAL N N 55 105.200 119.431 -14.231 1
1 531 . 15 1 1 A 56 56 THR H H 56 8.780 8.493 0.287 1
1 532 . 15 1 1 A 56 56 THR HA H 56 4.530 5.088 -0.558 1
1 537 . 15 1 1 A 56 56 THR C C 56 173.800 172.798 1.002 1
1 538 . 15 1 1 A 56 56 THR CA C 56 60.500 60.173 0.327 1
1 539 . 15 1 1 A 56 56 THR CB C 56 70.400 71.808 -1.408 1
1 541 . 15 1 1 A 56 56 THR N N 56 116.000 116.254 -0.254 1
1 542 . 15 1 1 A 57 57 LYS H H 57 8.610 9.000 -0.390 1
1 543 . 15 1 1 A 57 57 LYS HA H 57 5.490 5.200 0.290 1
1 550 . 15 1 1 A 57 57 LYS C C 57 176.000 174.692 1.308 1
1 551 . 15 1 1 A 57 57 LYS CA C 57 54.600 54.271 0.329 1
1 552 . 15 1 1 A 57 57 LYS CB C 57 36.000 37.082 -1.082 1
1 556 . 15 1 1 A 57 57 LYS N N 57 121.900 124.956 -3.056 1
1 557 . 15 1 1 A 58 58 CYS H H 58 8.610 8.919 -0.309 1
1 558 . 15 1 1 A 58 58 CYS HA H 58 5.100 5.022 0.078 1
1 561 . 15 1 1 A 58 58 CYS CA C 58 55.200 56.490 -1.290 1
1 562 . 15 1 1 A 58 58 CYS CB C 58 29.700 30.899 -1.199 1
1 563 . 15 1 1 A 58 58 CYS N N 58 120.600 117.709 2.891 1
1 564 . 15 1 1 A 59 59 PRO HA H 59 4.590 4.578 0.012 1
1 571 . 15 1 1 A 59 59 PRO C C 59 176.600 176.556 0.044 1
1 572 . 15 1 1 A 59 59 PRO CA C 59 63.700 62.368 1.332 1
1 573 . 15 1 1 A 59 59 PRO CB C 59 32.100 32.263 -0.163 1
1 576 . 15 1 1 A 60 60 GLU H H 60 8.630 8.144 0.486 1
1 577 . 15 1 1 A 60 60 GLU HA H 60 4.450 4.470 -0.020 1
1 582 . 15 1 1 A 60 60 GLU C C 60 176.900 176.981 -0.081 1
1 583 . 15 1 1 A 60 60 GLU CA C 60 55.700 56.416 -0.716 1
1 584 . 15 1 1 A 60 60 GLU CB C 60 30.500 30.390 0.110 1
1 586 . 15 1 1 A 60 60 GLU N N 60 123.900 120.730 3.170 1
1 587 . 15 1 1 A 61 61 LYS H H 61 8.780 8.903 -0.123 1
1 588 . 15 1 1 A 61 61 LYS HA H 61 3.930 4.393 -0.463 1
1 596 . 15 1 1 A 61 61 LYS C C 61 177.100 177.449 -0.349 1
1 597 . 15 1 1 A 61 61 LYS CA C 61 58.300 57.209 1.091 1
1 598 . 15 1 1 A 61 61 LYS CB C 61 31.900 34.321 -2.421 1
1 602 . 15 1 1 A 61 61 LYS N N 61 127.000 123.472 3.528 1
1 603 . 15 1 1 A 62 62 ASN H H 62 8.870 8.293 0.577 1
1 604 . 15 1 1 A 62 62 ASN HA H 62 4.520 4.878 -0.358 1
1 609 . 15 1 1 A 62 62 ASN C C 62 174.400 175.132 -0.732 1
1 610 . 15 1 1 A 62 62 ASN CA C 62 54.000 52.420 1.580 1
1 611 . 15 1 1 A 62 62 ASN CB C 62 38.000 39.326 -1.326 1
1 612 . 15 1 1 A 62 62 ASN N N 62 117.000 113.263 3.737 1
1 613 . 15 1 1 A 63 63 ARG H H 63 7.430 7.704 -0.274 1
1 614 . 15 1 1 A 63 63 ARG HA H 63 4.810 4.787 0.023 1
1 622 . 15 1 1 A 63 63 ARG C C 63 172.300 174.254 -1.954 1
1 623 . 15 1 1 A 63 63 ARG CA C 63 53.800 53.586 0.214 1
1 624 . 15 1 1 A 63 63 ARG CB C 63 31.300 30.927 0.373 1
1 627 . 15 1 1 A 63 63 ARG N N 63 119.200 119.499 -0.299 1
1 629 . 15 1 1 A 64 64 PRO HA H 64 4.350 4.516 -0.166 1
1 636 . 15 1 1 A 64 64 PRO C C 64 176.900 175.931 0.969 1
1 637 . 15 1 1 A 64 64 PRO CA C 64 64.200 62.886 1.314 1
1 638 . 15 1 1 A 64 64 PRO CB C 64 31.800 29.793 2.007 1
1 641 . 15 1 1 A 65 65 GLU H H 65 9.210 8.601 0.609 1
1 642 . 15 1 1 A 65 65 GLU HA H 65 4.280 4.415 -0.135 1
1 647 . 15 1 1 A 65 65 GLU C C 65 174.300 174.852 -0.552 1
1 648 . 15 1 1 A 65 65 GLU CA C 65 56.600 55.814 0.786 1
1 649 . 15 1 1 A 65 65 GLU CB C 65 28.200 31.356 -3.156 1
1 651 . 15 1 1 A 65 65 GLU N N 65 117.000 120.026 -3.026 1
1 652 . 15 1 1 A 66 66 ALA H H 66 8.040 7.073 0.967 1
1 653 . 15 1 1 A 66 66 ALA HA H 66 5.230 4.163 1.067 1
1 657 . 15 1 1 A 66 66 ALA C C 66 174.900 175.050 -0.150 1
1 658 . 15 1 1 A 66 66 ALA CA C 66 50.300 51.306 -1.006 1
1 659 . 15 1 1 A 66 66 ALA CB C 66 22.200 21.990 0.210 1
1 660 . 15 1 1 A 66 66 ALA N N 66 124.800 119.708 5.092 1
1 661 . 15 1 1 A 67 67 LEU H H 67 8.710 8.333 0.377 1
1 662 . 15 1 1 A 67 67 LEU HA H 67 4.800 5.201 -0.401 1
1 672 . 15 1 1 A 67 67 LEU C C 67 177.200 175.058 2.142 1
1 673 . 15 1 1 A 67 67 LEU CA C 67 52.800 53.037 -0.237 1
1 674 . 15 1 1 A 67 67 LEU CB C 67 43.200 46.245 -3.045 1
1 678 . 15 1 1 A 67 67 LEU N N 67 120.400 114.715 5.685 1
1 679 . 15 1 1 A 68 68 LYS H H 68 9.180 8.905 0.275 1
1 680 . 15 1 1 A 68 68 LYS HA H 68 4.050 4.797 -0.747 1
1 689 . 15 1 1 A 68 68 LYS C C 68 176.900 175.579 1.321 1
1 690 . 15 1 1 A 68 68 LYS CA C 68 57.100 55.216 1.884 1
1 691 . 15 1 1 A 68 68 LYS CB C 68 32.600 34.593 -1.993 1
1 695 . 15 1 1 A 68 68 LYS N N 68 125.300 121.003 4.297 1
1 696 . 15 1 1 A 69 69 VAL H H 69 8.150 8.441 -0.291 1
1 697 . 15 1 1 A 69 69 VAL HA H 69 5.240 4.869 0.371 1
1 705 . 15 1 1 A 69 69 VAL C C 69 174.900 174.363 0.537 1
1 706 . 15 1 1 A 69 69 VAL CA C 69 59.900 60.133 -0.233 1
1 707 . 15 1 1 A 69 69 VAL CB C 69 34.700 35.837 -1.137 1
1 710 . 15 1 1 A 69 69 VAL N N 69 121.600 122.260 -0.660 1
1 711 . 15 1 1 A 70 70 SER H H 70 8.610 8.914 -0.304 1
1 712 . 15 1 1 A 70 70 SER HA H 70 5.210 4.982 0.228 1
1 715 . 15 1 1 A 70 70 SER C C 70 171.900 172.777 -0.877 1
1 716 . 15 1 1 A 70 70 SER CA C 70 56.600 56.755 -0.155 1
1 717 . 15 1 1 A 70 70 SER CB C 70 65.600 66.096 -0.496 1
1 718 . 15 1 1 A 70 70 SER N N 70 120.600 119.475 1.125 1
1 719 . 15 1 1 A 71 71 CYS H H 71 9.280 8.613 0.667 1
1 720 . 15 1 1 A 71 71 CYS HA H 71 4.130 4.555 -0.425 1
1 723 . 15 1 1 A 71 71 CYS C C 71 178.600 175.372 3.228 1
1 724 . 15 1 1 A 71 71 CYS CA C 71 61.600 58.156 3.444 1
1 725 . 15 1 1 A 71 71 CYS CB C 71 31.300 26.374 4.926 1
1 726 . 15 1 1 A 71 71 CYS N N 71 126.700 122.250 4.450 1
1 727 . 15 1 1 A 72 72 GLY H H 72 9.140 8.578 0.562 1
1 728 . 15 1 1 A 72 72 GLY HA2 H 72 3.760 3.870 -0.110 1
1 729 . 15 1 1 A 72 72 GLY HA3 H 72 3.670 3.871 -0.201 1
1 730 . 15 1 1 A 72 72 GLY C C 72 172.500 175.850 -3.350 1
1 731 . 15 1 1 A 72 72 GLY CA C 72 46.200 47.301 -1.101 1
1 732 . 15 1 1 A 72 72 GLY N N 72 120.100 113.852 6.248 1
1 733 . 15 1 1 A 73 73 LYS H H 73 9.090 7.946 1.144 1
1 734 . 15 1 1 A 73 73 LYS HA H 73 4.210 4.050 0.160 1
1 742 . 15 1 1 A 73 73 LYS C C 73 177.600 178.213 -0.613 1
1 743 . 15 1 1 A 73 73 LYS CA C 73 56.600 59.101 -2.501 1
1 744 . 15 1 1 A 73 73 LYS CB C 73 32.700 32.124 0.576 1
1 748 . 15 1 1 A 73 73 LYS N N 73 124.400 120.758 3.642 1
1 749 . 15 1 1 A 74 74 CYS H H 74 8.590 7.737 0.853 1
1 750 . 15 1 1 A 74 74 CYS HA H 74 4.910 4.611 0.299 1
1 753 . 15 1 1 A 74 74 CYS C C 74 177.400 175.468 1.932 1
1 754 . 15 1 1 A 74 74 CYS CA C 74 58.900 58.911 -0.011 1
1 755 . 15 1 1 A 74 74 CYS CB C 74 33.300 29.895 3.405 1
1 756 . 15 1 1 A 74 74 CYS N N 74 119.700 114.601 5.099 1
1 757 . 15 1 1 A 75 75 GLY H H 75 7.760 8.911 -1.151 1
1 758 . 15 1 1 A 75 75 GLY HA2 H 75 4.210 3.969 0.241 1
1 759 . 15 1 1 A 75 75 GLY HA3 H 75 3.750 3.971 -0.221 1
1 760 . 15 1 1 A 75 75 GLY C C 75 174.000 174.161 -0.161 1
1 761 . 15 1 1 A 75 75 GLY CA C 75 46.100 46.454 -0.354 1
1 762 . 15 1 1 A 75 75 GLY N N 75 113.000 110.765 2.235 1
1 763 . 15 1 1 A 76 76 ASN H H 76 9.050 7.672 1.378 1
1 764 . 15 1 1 A 76 76 ASN HA H 76 4.500 5.112 -0.612 1
1 769 . 15 1 1 A 76 76 ASN C C 76 178.700 173.967 4.733 1
1 770 . 15 1 1 A 76 76 ASN CA C 76 54.700 51.091 3.609 1
1 771 . 15 1 1 A 76 76 ASN CB C 76 39.800 40.739 -0.939 1
1 772 . 15 1 1 A 76 76 ASN N N 76 123.700 118.672 5.028 1
1 774 . 15 1 1 A 77 77 GLY H H 77 8.660 8.423 0.237 1
1 775 . 15 1 1 A 77 77 GLY HA2 H 77 3.970 4.136 -0.166 1
1 776 . 15 1 1 A 77 77 GLY HA3 H 77 3.710 4.142 -0.432 1
1 777 . 15 1 1 A 77 77 GLY C C 77 173.800 173.825 -0.025 1
1 778 . 15 1 1 A 77 77 GLY CA C 77 47.300 45.575 1.725 1
1 779 . 15 1 1 A 77 77 GLY N N 77 115.600 107.945 7.655 1
1 780 . 15 1 1 A 78 78 LEU H H 78 8.600 8.331 0.269 1
1 781 . 15 1 1 A 78 78 LEU HA H 78 4.810 4.387 0.423 1
1 791 . 15 1 1 A 78 78 LEU C C 78 173.800 176.022 -2.222 1
1 792 . 15 1 1 A 78 78 LEU CA C 78 54.900 53.668 1.232 1
1 793 . 15 1 1 A 78 78 LEU CB C 78 45.000 43.339 1.661 1
1 797 . 15 1 1 A 78 78 LEU N N 78 122.700 118.881 3.819 1
1 798 . 15 1 1 A 79 79 GLY H H 79 7.100 7.344 -0.244 1
1 799 . 15 1 1 A 79 79 GLY HA2 H 79 4.650 3.860 0.790 1
1 800 . 15 1 1 A 79 79 GLY HA3 H 79 3.020 4.002 -0.982 1
1 801 . 15 1 1 A 79 79 GLY C C 79 173.000 171.932 1.068 1
1 802 . 15 1 1 A 79 79 GLY CA C 79 44.900 43.847 1.053 1
1 803 . 15 1 1 A 79 79 GLY N N 79 102.400 108.836 -6.436 1
1 804 . 15 1 1 A 80 80 HIS H H 80 8.580 9.233 -0.653 1
1 805 . 15 1 1 A 80 80 HIS HA H 80 5.470 5.325 0.145 1
1 810 . 15 1 1 A 80 80 HIS C C 80 172.300 173.939 -1.639 1
1 811 . 15 1 1 A 80 80 HIS CA C 80 55.000 54.736 0.264 1
1 812 . 15 1 1 A 80 80 HIS CB C 80 34.500 33.908 0.592 1
1 813 . 15 1 1 A 80 80 HIS N N 80 122.400 119.981 2.419 1
1 814 . 15 1 1 A 81 81 GLU H H 81 9.260 9.420 -0.160 1
1 815 . 15 1 1 A 81 81 GLU HA H 81 4.100 5.124 -1.024 1
1 820 . 15 1 1 A 81 81 GLU C C 81 174.300 175.483 -1.183 1
1 821 . 15 1 1 A 81 81 GLU CA C 81 54.700 55.464 -0.764 1
1 822 . 15 1 1 A 81 81 GLU CB C 81 31.600 33.544 -1.944 1
1 824 . 15 1 1 A 81 81 GLU N N 81 123.700 121.142 2.558 1
1 825 . 15 1 1 A 82 82 PHE H H 82 9.150 9.212 -0.062 1
1 826 . 15 1 1 A 82 82 PHE HA H 82 5.080 4.722 0.358 1
1 830 . 15 1 1 A 82 82 PHE C C 82 174.300 174.680 -0.380 1
1 831 . 15 1 1 A 82 82 PHE CA C 82 56.700 58.074 -1.374 1
1 832 . 15 1 1 A 82 82 PHE CB C 82 38.800 38.626 0.174 1
1 833 . 15 1 1 A 82 82 PHE N N 82 126.900 128.447 -1.547 1
1 834 . 15 1 1 A 83 83 LEU H H 83 8.280 8.705 -0.425 1
1 835 . 15 1 1 A 83 83 LEU HA H 83 4.100 4.736 -0.636 1
1 845 . 15 1 1 A 83 83 LEU C C 83 176.200 175.261 0.939 1
1 846 . 15 1 1 A 83 83 LEU CA C 83 55.500 53.798 1.702 1
1 847 . 15 1 1 A 83 83 LEU CB C 83 42.000 45.268 -3.268 1
1 849 . 15 1 1 A 83 83 LEU N N 83 126.900 126.608 0.292 1
1 850 . 15 1 1 A 84 84 ASN H H 84 9.260 8.820 0.440 1
1 851 . 15 1 1 A 84 84 ASN HA H 84 4.290 4.348 -0.058 1
1 856 . 15 1 1 A 84 84 ASN C C 84 174.400 174.040 0.360 1
1 857 . 15 1 1 A 84 84 ASN CA C 84 54.800 54.971 -0.171 1
1 858 . 15 1 1 A 84 84 ASN CB C 84 37.900 37.143 0.757 1
1 859 . 15 1 1 A 84 84 ASN N N 84 116.900 120.650 -3.750 1
1 861 . 15 1 1 A 85 85 ASP H H 85 7.140 8.111 -0.971 1
1 862 . 15 1 1 A 85 85 ASP HA H 85 5.200 4.909 0.291 1
1 865 . 15 1 1 A 85 85 ASP C C 85 176.000 175.874 0.126 1
1 866 . 15 1 1 A 85 85 ASP CA C 85 53.800 53.909 -0.109 1
1 867 . 15 1 1 A 85 85 ASP CB C 85 45.500 43.148 2.352 1
1 868 . 15 1 1 A 85 85 ASP N N 85 117.200 118.148 -0.948 1
1 869 . 15 1 1 A 86 86 GLY H H 86 8.230 8.117 0.113 1
1 870 . 15 1 1 A 86 86 GLY HA2 H 86 4.140 4.494 -0.354 1
1 871 . 15 1 1 A 86 86 GLY HA3 H 86 3.280 4.518 -1.238 1
1 872 . 15 1 1 A 86 86 GLY C C 86 171.700 173.495 -1.795 1
1 873 . 15 1 1 A 86 86 GLY CA C 86 44.600 45.638 -1.038 1
1 874 . 15 1 1 A 86 86 GLY N N 86 107.600 106.963 0.637 1
1 875 . 15 1 1 A 87 87 PRO HA H 87 4.190 4.552 -0.362 1
1 882 . 15 1 1 A 87 87 PRO C C 87 177.000 176.404 0.596 1
1 883 . 15 1 1 A 87 87 PRO CA C 87 65.200 64.137 1.063 1
1 884 . 15 1 1 A 87 87 PRO CB C 87 31.700 31.733 -0.033 1
1 887 . 15 1 1 A 88 88 LYS H H 88 7.310 8.019 -0.709 1
1 888 . 15 1 1 A 88 88 LYS HA H 88 4.480 4.455 0.025 1
1 897 . 15 1 1 A 88 88 LYS C C 88 175.700 175.637 0.063 1
1 898 . 15 1 1 A 88 88 LYS CA C 88 53.700 55.709 -2.009 1
1 899 . 15 1 1 A 88 88 LYS CB C 88 34.900 31.610 3.290 1
1 903 . 15 1 1 A 88 88 LYS N N 88 116.200 118.445 -2.245 1
1 904 . 15 1 1 A 89 89 ARG H H 89 8.320 8.291 0.029 1
1 905 . 15 1 1 A 89 89 ARG HA H 89 4.010 3.900 0.110 1
1 912 . 15 1 1 A 89 89 ARG C C 89 177.500 177.363 0.137 1
1 913 . 15 1 1 A 89 89 ARG CA C 89 57.900 57.750 0.150 1
1 914 . 15 1 1 A 89 89 ARG CB C 89 32.100 30.721 1.379 1
1 917 . 15 1 1 A 89 89 ARG N N 89 122.200 125.073 -2.873 1
1 919 . 15 1 1 A 90 90 GLY H H 90 8.950 8.752 0.198 1
1 920 . 15 1 1 A 90 90 GLY HA2 H 90 4.240 3.948 0.292 1
1 921 . 15 1 1 A 90 90 GLY HA3 H 90 3.850 3.950 -0.100 1
1 922 . 15 1 1 A 90 90 GLY C C 90 175.000 173.454 1.546 1
1 923 . 15 1 1 A 90 90 GLY CA C 90 45.100 45.508 -0.408 1
1 924 . 15 1 1 A 90 90 GLY N N 90 115.100 111.023 4.077 1
1 925 . 15 1 1 A 91 91 GLN H H 91 8.120 7.986 0.134 1
1 926 . 15 1 1 A 91 91 GLN HA H 91 4.580 4.858 -0.278 1
1 933 . 15 1 1 A 91 91 GLN C C 91 177.000 174.577 2.423 1
1 934 . 15 1 1 A 91 91 GLN CA C 91 55.900 54.005 1.895 1
1 935 . 15 1 1 A 91 91 GLN CB C 91 31.000 31.660 -0.660 1
1 937 . 15 1 1 A 91 91 GLN N N 91 120.900 119.793 1.107 1
1 938 . 15 1 1 A 92 92 SER H H 92 9.210 8.696 0.514 1
1 939 . 15 1 1 A 92 92 SER HA H 92 4.820 5.208 -0.388 1
1 942 . 15 1 1 A 92 92 SER C C 92 171.600 172.673 -1.073 1
1 943 . 15 1 1 A 92 92 SER CA C 92 57.700 57.937 -0.237 1
1 944 . 15 1 1 A 92 92 SER CB C 92 65.200 65.945 -0.745 1
1 945 . 15 1 1 A 92 92 SER N N 92 120.900 114.709 6.191 1
1 946 . 15 1 1 A 93 93 ARG H H 93 7.820 9.216 -1.396 1
1 947 . 15 1 1 A 93 93 ARG HA H 93 4.950 5.065 -0.115 1
1 952 . 15 1 1 A 93 93 ARG C C 93 176.400 174.333 2.067 1
1 953 . 15 1 1 A 93 93 ARG CA C 93 55.200 55.121 0.079 1
1 954 . 15 1 1 A 93 93 ARG CB C 93 34.600 31.658 2.942 1
1 957 . 15 1 1 A 93 93 ARG N N 93 117.800 126.460 -8.660 1
1 958 . 15 1 1 A 94 94 PHE H H 94 9.860 8.976 0.884 1
1 959 . 15 1 1 A 94 94 PHE HA H 94 4.780 5.336 -0.556 1
1 962 . 15 1 1 A 94 94 PHE C C 94 176.400 173.816 2.584 1
1 963 . 15 1 1 A 94 94 PHE CA C 94 58.300 56.016 2.284 1
1 964 . 15 1 1 A 94 94 PHE CB C 94 38.500 40.844 -2.344 1
1 965 . 15 1 1 A 94 94 PHE N N 94 127.100 125.217 1.883 1
1 966 . 15 1 1 A 95 95 CYS H H 95 9.190 9.041 0.149 1
1 967 . 15 1 1 A 95 95 CYS HA H 95 4.810 4.611 0.199 1
1 970 . 15 1 1 A 95 95 CYS CA C 95 57.300 58.565 -1.265 1
1 971 . 15 1 1 A 95 95 CYS CB C 95 28.700 27.150 1.550 1
1 972 . 15 1 1 A 95 95 CYS N N 95 128.200 126.683 1.517 1
1 973 . 15 1 1 A 96 96 ILE H H 96 7.510 8.598 -1.088 1
1 974 . 15 1 1 A 96 96 ILE HA H 96 4.620 4.854 -0.234 1
1 983 . 15 1 1 A 96 96 ILE C C 96 173.700 174.696 -0.996 1
1 984 . 15 1 1 A 96 96 ILE CA C 96 55.800 58.983 -3.183 1
1 985 . 15 1 1 A 96 96 ILE CB C 96 39.900 41.035 -1.135 1
1 989 . 15 1 1 A 96 96 ILE N N 96 130.700 129.156 1.544 1
1 990 . 15 1 1 A 97 97 PHE H H 97 8.040 8.777 -0.737 1
1 991 . 15 1 1 A 97 97 PHE HA H 97 4.920 4.926 -0.006 1
1 994 . 15 1 1 A 97 97 PHE C C 97 178.800 177.076 1.724 1
1 995 . 15 1 1 A 97 97 PHE CA C 97 57.500 57.623 -0.123 1
1 996 . 15 1 1 A 97 97 PHE CB C 97 38.400 40.234 -1.834 1
1 997 . 15 1 1 A 97 97 PHE N N 97 122.400 126.111 -3.711 1
1 998 . 15 1 1 A 98 98 SER HA H 98 4.380 4.384 -0.004 1
1 1001 . 15 1 1 A 98 98 SER C C 98 176.400 176.153 0.247 1
1 1002 . 15 1 1 A 98 98 SER CA C 98 64.900 60.677 4.223 1
1 1003 . 15 1 1 A 98 98 SER CB C 98 63.600 63.524 0.076 1
1 1004 . 15 1 1 A 99 99 SER H H 99 9.360 8.058 1.302 1
1 1005 . 15 1 1 A 99 99 SER HA H 99 4.300 4.371 -0.071 1
1 1008 . 15 1 1 A 99 99 SER C C 99 175.800 176.443 -0.643 1
1 1009 . 15 1 1 A 99 99 SER CA C 99 60.200 60.657 -0.457 1
1 1010 . 15 1 1 A 99 99 SER CB C 99 62.700 62.878 -0.178 1
1 1011 . 15 1 1 A 99 99 SER N N 99 114.100 117.352 -3.252 1
1 1012 . 15 1 1 A 100 100 SER H H 100 8.150 7.884 0.266 1
1 1013 . 15 1 1 A 100 100 SER HA H 100 4.630 4.332 0.298 1
1 1016 . 15 1 1 A 100 100 SER C C 100 173.500 174.128 -0.628 1
1 1017 . 15 1 1 A 100 100 SER CA C 100 60.400 61.151 -0.751 1
1 1018 . 15 1 1 A 100 100 SER CB C 100 63.600 63.855 -0.255 1
1 1019 . 15 1 1 A 100 100 SER N N 100 118.700 115.007 3.693 1
1 1020 . 15 1 1 A 101 101 LEU H H 101 8.100 7.838 0.262 1
1 1021 . 15 1 1 A 101 101 LEU HA H 101 5.570 4.963 0.607 1
1 1031 . 15 1 1 A 101 101 LEU C C 101 176.000 174.612 1.388 1
1 1032 . 15 1 1 A 101 101 LEU CA C 101 53.400 53.607 -0.207 1
1 1033 . 15 1 1 A 101 101 LEU CB C 101 46.700 45.164 1.536 1
1 1036 . 15 1 1 A 101 101 LEU N N 101 122.000 116.519 5.481 1
1 1037 . 15 1 1 A 102 102 LYS H H 102 8.950 8.898 0.052 1
1 1038 . 15 1 1 A 102 102 LYS HA H 102 4.710 4.940 -0.230 1
1 1045 . 15 1 1 A 102 102 LYS C C 102 174.400 174.889 -0.489 1
1 1046 . 15 1 1 A 102 102 LYS CA C 102 55.400 54.547 0.853 1
1 1047 . 15 1 1 A 102 102 LYS CB C 102 36.500 35.502 0.998 1
1 1051 . 15 1 1 A 102 102 LYS N N 102 119.500 118.809 0.691 1
1 1052 . 15 1 1 A 103 103 PHE H H 103 9.010 8.765 0.245 1
1 1053 . 15 1 1 A 103 103 PHE HA H 103 4.750 4.790 -0.040 1
1 1056 . 15 1 1 A 103 103 PHE C C 103 173.900 173.324 0.576 1
1 1057 . 15 1 1 A 103 103 PHE CA C 103 57.100 54.922 2.178 1
1 1058 . 15 1 1 A 103 103 PHE CB C 103 41.300 41.609 -0.309 1
1 1059 . 15 1 1 A 103 103 PHE N N 103 124.500 123.317 1.183 1
1 1060 . 15 1 1 A 104 104 VAL H H 104 8.550 8.743 -0.193 1
1 1061 . 15 1 1 A 104 104 VAL HA H 104 4.140 4.536 -0.396 1
1 1069 . 15 1 1 A 104 104 VAL C C 104 172.800 173.399 -0.599 1
1 1070 . 15 1 1 A 104 104 VAL CA C 104 58.800 58.532 0.268 1
1 1071 . 15 1 1 A 104 104 VAL CB C 104 32.300 33.222 -0.922 1
1 1074 . 15 1 1 A 104 104 VAL N N 104 132.000 128.075 3.925 1
1 1075 . 15 1 1 A 105 105 PRO HA H 105 4.110 4.154 -0.044 1
1 1082 . 15 1 1 A 105 105 PRO C C 105 176.400 176.831 -0.431 1
1 1083 . 15 1 1 A 105 105 PRO CA C 105 62.400 62.265 0.135 1
1 1084 . 15 1 1 A 105 105 PRO CB C 105 32.400 31.666 0.734 1
1 1087 . 15 1 1 A 106 106 LYS H H 106 7.900 8.507 -0.607 1
1 1088 . 15 1 1 A 106 106 LYS HA H 106 4.170 4.022 0.148 1
1 1096 . 15 1 1 A 106 106 LYS C C 106 176.900 177.685 -0.785 1
1 1097 . 15 1 1 A 106 106 LYS CA C 106 56.700 56.505 0.195 1
1 1098 . 15 1 1 A 106 106 LYS CB C 106 33.500 34.040 -0.540 1
1 1102 . 15 1 1 A 106 106 LYS N N 106 123.200 121.568 1.632 1
1 1103 . 15 1 1 A 107 107 GLY H H 107 8.740 8.980 -0.240 1
1 1104 . 15 1 1 A 107 107 GLY HA2 H 107 3.930 3.865 0.065 1
1 1105 . 15 1 1 A 107 107 GLY HA3 H 107 3.960 3.872 0.088 1
1 1106 . 15 1 1 A 107 107 GLY C C 107 174.000 174.700 -0.700 1
1 1107 . 15 1 1 A 107 107 GLY CA C 107 45.000 46.617 -1.617 1
1 1108 . 15 1 1 A 107 107 GLY N N 107 113.500 111.222 2.278 1
1 1109 . 15 1 1 A 108 108 LYS H H 108 8.240 8.043 0.197 1
1 1110 . 15 1 1 A 108 108 LYS HA H 108 4.290 4.277 0.013 1
1 1118 . 15 1 1 A 108 108 LYS C C 108 176.700 178.460 -1.760 1
1 1119 . 15 1 1 A 108 108 LYS CA C 108 56.000 58.029 -2.029 1
1 1120 . 15 1 1 A 108 108 LYS CB C 108 32.700 33.181 -0.481 1
1 1124 . 15 1 1 A 108 108 LYS N N 108 121.500 118.585 2.915 1
1 1125 . 15 1 1 A 109 109 GLU H H 109 8.650 7.949 0.701 1
1 1126 . 15 1 1 A 109 109 GLU HA H 109 4.180 4.082 0.098 1
1 1131 . 15 1 1 A 109 109 GLU C C 109 176.500 176.081 0.419 1
1 1132 . 15 1 1 A 109 109 GLU CA C 109 56.600 59.398 -2.798 1
1 1133 . 15 1 1 A 109 109 GLU CB C 109 29.900 29.460 0.440 1
1 1135 . 15 1 1 A 109 109 GLU N N 109 122.800 119.382 3.418 1
1 1136 . 15 1 1 A 110 110 ALA H H 110 8.400 7.812 0.588 1
1 1137 . 15 1 1 A 110 110 ALA HA H 110 4.190 4.163 0.027 1
1 1141 . 15 1 1 A 110 110 ALA CA C 110 52.500 53.998 -1.498 1
1 1142 . 15 1 1 A 110 110 ALA CB C 110 19.000 18.288 0.712 1
1 1143 . 15 1 1 A 110 110 ALA N N 110 126.100 121.377 4.723 1
1 1144 . 15 1 1 A 111 111 ALA H H 111 8.240 8.989 -0.749 1
1 1145 . 15 1 1 A 111 111 ALA HA H 111 4.220 3.916 0.304 1
1 1149 . 15 1 1 A 111 111 ALA C C 111 177.800 176.576 1.224 1
1 1150 . 15 1 1 A 111 111 ALA CA C 111 52.600 53.287 -0.687 1
1 1151 . 15 1 1 A 111 111 ALA CB C 111 19.000 17.446 1.554 1
1 1152 . 15 1 1 A 111 111 ALA N N 111 123.800 119.605 4.195 1
1 1153 . 15 1 1 A 112 112 ALA H H 112 8.220 8.329 -0.109 1
1 1154 . 15 1 1 A 112 112 ALA HA H 112 4.250 4.120 0.130 1
1 1158 . 15 1 1 A 112 112 ALA C C 112 178.100 176.732 1.368 1
1 1159 . 15 1 1 A 112 112 ALA CA C 112 52.600 54.164 -1.564 1
1 1160 . 15 1 1 A 112 112 ALA CB C 112 19.100 18.202 0.898 1
1 1161 . 15 1 1 A 112 112 ALA N N 112 123.600 112.736 10.864 1
1 1162 . 15 1 1 A 113 113 SER H H 113 8.200 8.573 -0.373 1
1 1163 . 15 1 1 A 113 113 SER HA H 113 4.360 4.936 -0.576 1
1 1166 . 15 1 1 A 113 113 SER C C 113 174.800 173.518 1.282 1
1 1167 . 15 1 1 A 113 113 SER CA C 113 58.300 56.537 1.763 1
1 1168 . 15 1 1 A 113 113 SER CB C 113 63.500 62.945 0.555 1
1 1169 . 15 1 1 A 113 113 SER N N 113 115.400 113.454 1.946 1
1 1170 . 15 1 1 A 114 114 GLN H H 114 8.320 8.541 -0.221 1
1 1171 . 15 1 1 A 114 114 GLN HA H 114 4.290 4.619 -0.329 1
1 1178 . 15 1 1 A 114 114 GLN C C 114 176.500 175.523 0.977 1
1 1179 . 15 1 1 A 114 114 GLN CA C 114 55.900 55.837 0.063 1
1 1180 . 15 1 1 A 114 114 GLN CB C 114 29.300 30.032 -0.732 1
1 1182 . 15 1 1 A 114 114 GLN N N 114 122.500 123.683 -1.183 1
1 1183 . 15 1 1 A 115 115 GLY H H 115 8.370 8.590 -0.220 1
1 1184 . 15 1 1 A 115 115 GLY HA2 H 115 3.850 4.175 -0.325 1
1 1185 . 15 1 1 A 115 115 GLY HA3 H 115 3.850 4.225 -0.375 1
1 1186 . 15 1 1 A 115 115 GLY C C 115 173.900 171.843 2.057 1
1 1187 . 15 1 1 A 115 115 GLY CA C 115 45.400 44.812 0.588 1
1 1188 . 15 1 1 A 115 115 GLY N N 115 110.000 110.385 -0.385 1
1 1189 . 15 1 1 A 116 116 HIS H H 116 8.290 8.593 -0.303 1
1 1190 . 15 1 1 A 116 116 HIS HA H 116 4.620 5.123 -0.503 1
1 1195 . 15 1 1 A 116 116 HIS C C 116 174.600 172.246 2.354 1
1 1196 . 15 1 1 A 116 116 HIS CA C 116 55.500 55.099 0.401 1
1 1197 . 15 1 1 A 116 116 HIS CB C 116 29.100 31.999 -2.899 1
1 1198 . 15 1 1 A 116 116 HIS N N 116 119.100 115.278 3.822 1
1 1199 . 15 1 1 A 117 117 LEU H H 117 8.220 8.765 -0.545 1
1 1200 . 15 1 1 A 117 117 LEU HA H 117 4.240 4.682 -0.442 1
1 1210 . 15 1 1 A 117 117 LEU C C 117 174.600 176.212 -1.612 1
1 1211 . 15 1 1 A 117 117 LEU CA C 117 55.100 53.899 1.201 1
1 1212 . 15 1 1 A 117 117 LEU CB C 117 42.300 43.756 -1.456 1
1 1216 . 15 1 1 A 117 117 LEU N N 117 124.100 124.049 0.051 1
1 1217 . 15 1 1 A 118 118 GLU H H 118 8.350 8.773 -0.423 1
1 1218 . 15 1 1 A 118 118 GLU HA H 118 4.160 5.142 -0.982 1
1 1223 . 15 1 1 A 118 118 GLU C C 118 176.000 174.871 1.129 1
1 1224 . 15 1 1 A 118 118 GLU CA C 118 56.300 55.557 0.743 1
1 1225 . 15 1 1 A 118 118 GLU CB C 118 30.300 33.410 -3.110 1
1 1227 . 15 1 1 A 118 118 GLU N N 118 122.300 118.296 4.004 1
1 1228 . 15 1 1 A 119 119 HIS H H 119 8.410 8.752 -0.342 1
1 1229 . 15 1 1 A 119 119 HIS HA H 119 4.570 5.197 -0.627 1
1 1232 . 15 1 1 A 119 119 HIS C C 119 174.500 173.120 1.380 1
1 1233 . 15 1 1 A 119 119 HIS CA C 119 55.400 54.898 0.502 1
1 1234 . 15 1 1 A 119 119 HIS CB C 119 29.400 31.610 -2.210 1
1 1235 . 15 1 1 A 119 119 HIS N N 119 120.500 117.169 3.331 1
1 1236 . 15 1 1 A 120 120 HIS H H 120 8.530 8.666 -0.136 1
1 1237 . 15 1 1 A 120 120 HIS HA H 120 4.640 4.712 -0.072 1
1 1240 . 15 1 1 A 120 120 HIS C C 120 174.400 173.612 0.788 1
1 1241 . 15 1 1 A 120 120 HIS CA C 120 57.900 54.994 2.906 1
1 1242 . 15 1 1 A 120 120 HIS CB C 120 29.400 31.951 -2.551 1
1 1 . 16 1 1 A 3 3 PHE HA H 3 4.650 5.032 -0.382 1
1 4 . 16 1 1 A 3 3 PHE C C 3 174.500 173.599 0.901 1
1 5 . 16 1 1 A 3 3 PHE CA C 3 57.800 56.153 1.647 1
1 6 . 16 1 1 A 3 3 PHE CB C 3 39.600 40.837 -1.237 1
1 7 . 16 1 1 A 4 4 CYS H H 4 8.270 8.384 -0.114 1
1 8 . 16 1 1 A 4 4 CYS HA H 4 4.380 4.660 -0.280 1
1 11 . 16 1 1 A 4 4 CYS C C 4 173.800 172.664 1.136 1
1 12 . 16 1 1 A 4 4 CYS CA C 4 58.100 58.938 -0.838 1
1 13 . 16 1 1 A 4 4 CYS CB C 4 28.100 29.739 -1.639 1
1 14 . 16 1 1 A 4 4 CYS N N 4 122.600 125.087 -2.487 1
1 15 . 16 1 1 A 5 5 SER H H 5 8.250 8.481 -0.231 1
1 16 . 16 1 1 A 5 5 SER HA H 5 4.270 4.674 -0.404 1
1 19 . 16 1 1 A 5 5 SER C C 5 173.700 172.977 0.723 1
1 20 . 16 1 1 A 5 5 SER CA C 5 58.300 57.947 0.353 1
1 21 . 16 1 1 A 5 5 SER CB C 5 63.700 66.954 -3.254 1
1 22 . 16 1 1 A 5 5 SER N N 5 119.600 119.549 0.051 1
1 23 . 16 1 1 A 6 6 PHE H H 6 8.010 8.100 -0.090 1
1 24 . 16 1 1 A 6 6 PHE HA H 6 4.560 5.382 -0.822 1
1 28 . 16 1 1 A 6 6 PHE C C 6 173.700 174.454 -0.754 1
1 29 . 16 1 1 A 6 6 PHE CA C 6 57.600 55.091 2.509 1
1 30 . 16 1 1 A 6 6 PHE CB C 6 39.700 41.899 -2.199 1
1 31 . 16 1 1 A 6 6 PHE N N 6 122.500 121.326 1.174 1
1 32 . 16 1 1 A 7 7 PHE H H 7 8.230 9.186 -0.956 1
1 33 . 16 1 1 A 7 7 PHE HA H 7 4.530 4.701 -0.171 1
1 36 . 16 1 1 A 7 7 PHE C C 7 175.800 175.910 -0.110 1
1 37 . 16 1 1 A 7 7 PHE CA C 7 57.600 58.040 -0.440 1
1 38 . 16 1 1 A 7 7 PHE CB C 7 39.700 39.402 0.298 1
1 39 . 16 1 1 A 7 7 PHE N N 7 123.000 120.140 2.860 1
1 40 . 16 1 1 A 8 8 GLY H H 8 7.870 8.385 -0.515 1
1 41 . 16 1 1 A 8 8 GLY HA2 H 8 3.800 4.215 -0.415 1
1 42 . 16 1 1 A 8 8 GLY HA3 H 8 3.750 4.295 -0.545 1
1 43 . 16 1 1 A 8 8 GLY C C 8 174.300 174.542 -0.242 1
1 44 . 16 1 1 A 8 8 GLY CA C 8 45.300 46.345 -1.045 1
1 45 . 16 1 1 A 8 8 GLY N N 8 111.200 113.909 -2.709 1
1 46 . 16 1 1 A 9 9 GLY H H 9 7.930 7.615 0.315 1
1 47 . 16 1 1 A 9 9 GLY HA2 H 9 3.920 4.253 -0.333 1
1 48 . 16 1 1 A 9 9 GLY HA3 H 9 3.850 4.296 -0.446 1
1 49 . 16 1 1 A 9 9 GLY C C 9 175.200 171.722 3.478 1
1 50 . 16 1 1 A 9 9 GLY CA C 9 45.100 46.199 -1.099 1
1 51 . 16 1 1 A 9 9 GLY N N 9 108.400 104.517 3.883 1
1 52 . 16 1 1 A 10 10 GLU H H 10 8.400 8.584 -0.184 1
1 53 . 16 1 1 A 10 10 GLU HA H 10 4.360 4.998 -0.638 1
1 58 . 16 1 1 A 10 10 GLU C C 10 178.400 174.867 3.533 1
1 59 . 16 1 1 A 10 10 GLU CA C 10 54.700 55.100 -0.400 1
1 60 . 16 1 1 A 10 10 GLU CB C 10 36.700 33.472 3.228 1
1 62 . 16 1 1 A 10 10 GLU N N 10 122.600 121.748 0.852 1
1 63 . 16 1 1 A 11 11 VAL H H 11 7.940 8.579 -0.639 1
1 64 . 16 1 1 A 11 11 VAL HA H 11 3.680 4.371 -0.691 1
1 72 . 16 1 1 A 11 11 VAL C C 11 176.600 176.889 -0.289 1
1 73 . 16 1 1 A 11 11 VAL CA C 11 63.800 61.211 2.589 1
1 74 . 16 1 1 A 11 11 VAL CB C 11 31.200 33.947 -2.747 1
1 77 . 16 1 1 A 11 11 VAL N N 11 120.300 123.908 -3.608 1
1 78 . 16 1 1 A 12 12 PHE H H 12 7.730 8.058 -0.328 1
1 79 . 16 1 1 A 12 12 PHE HA H 12 5.200 4.225 0.975 1
1 83 . 16 1 1 A 12 12 PHE C C 12 177.100 178.403 -1.303 1
1 84 . 16 1 1 A 12 12 PHE CA C 12 55.700 61.538 -5.838 1
1 85 . 16 1 1 A 12 12 PHE CB C 12 38.200 38.088 0.112 1
1 86 . 16 1 1 A 12 12 PHE N N 12 113.700 121.827 -8.127 1
1 87 . 16 1 1 A 13 13 GLN H H 13 8.080 8.430 -0.350 1
1 88 . 16 1 1 A 13 13 GLN HA H 13 3.270 4.092 -0.822 1
1 95 . 16 1 1 A 13 13 GLN C C 13 175.400 177.719 -2.319 1
1 96 . 16 1 1 A 13 13 GLN CA C 13 62.100 58.483 3.617 1
1 97 . 16 1 1 A 13 13 GLN CB C 13 27.100 27.692 -0.592 1
1 99 . 16 1 1 A 13 13 GLN N N 13 126.400 116.800 9.600 1
1 100 . 16 1 1 A 14 14 ASN H H 14 8.580 7.898 0.682 1
1 101 . 16 1 1 A 14 14 ASN HA H 14 5.010 4.780 0.230 1
1 106 . 16 1 1 A 14 14 ASN C C 14 173.000 175.879 -2.879 1
1 107 . 16 1 1 A 14 14 ASN CA C 14 51.500 54.807 -3.307 1
1 108 . 16 1 1 A 14 14 ASN CB C 14 37.900 38.647 -0.747 1
1 109 . 16 1 1 A 14 14 ASN N N 14 115.900 118.097 -2.197 1
1 111 . 16 1 1 A 15 15 HIS H H 15 6.070 7.337 -1.267 1
1 112 . 16 1 1 A 15 15 HIS HA H 15 4.370 4.298 0.072 1
1 117 . 16 1 1 A 15 15 HIS C C 15 174.400 175.836 -1.436 1
1 118 . 16 1 1 A 15 15 HIS CA C 15 56.600 55.967 0.633 1
1 119 . 16 1 1 A 15 15 HIS CB C 15 33.400 29.788 3.612 1
1 120 . 16 1 1 A 15 15 HIS N N 15 120.500 116.868 3.632 1
1 121 . 16 1 1 A 16 16 PHE H H 16 8.880 7.843 1.037 1
1 122 . 16 1 1 A 16 16 PHE HA H 16 4.870 4.745 0.125 1
1 125 . 16 1 1 A 16 16 PHE C C 16 174.300 175.441 -1.141 1
1 126 . 16 1 1 A 16 16 PHE CA C 16 57.100 56.925 0.175 1
1 127 . 16 1 1 A 16 16 PHE CB C 16 39.700 39.117 0.583 1
1 128 . 16 1 1 A 16 16 PHE N N 16 127.200 119.162 8.038 1
1 129 . 16 1 1 A 17 17 GLU H H 17 5.780 7.411 -1.631 1
1 130 . 16 1 1 A 17 17 GLU HA H 17 4.500 4.536 -0.036 1
1 135 . 16 1 1 A 17 17 GLU C C 17 174.300 174.596 -0.296 1
1 136 . 16 1 1 A 17 17 GLU CA C 17 53.500 55.007 -1.507 1
1 137 . 16 1 1 A 17 17 GLU CB C 17 30.700 28.402 2.298 1
1 139 . 16 1 1 A 17 17 GLU N N 17 119.900 121.190 -1.290 1
1 140 . 16 1 1 A 18 18 PRO HA H 18 4.630 4.563 0.067 1
1 147 . 16 1 1 A 18 18 PRO C C 18 178.100 175.781 2.319 1
1 148 . 16 1 1 A 18 18 PRO CA C 18 62.700 62.936 -0.236 1
1 149 . 16 1 1 A 18 18 PRO CB C 18 31.400 33.005 -1.605 1
1 152 . 16 1 1 A 19 19 GLY H H 19 8.820 8.195 0.625 1
1 153 . 16 1 1 A 19 19 GLY HA2 H 19 4.500 3.585 0.915 1
1 154 . 16 1 1 A 19 19 GLY HA3 H 19 3.630 3.899 -0.269 1
1 155 . 16 1 1 A 19 19 GLY C C 19 171.000 171.467 -0.467 1
1 156 . 16 1 1 A 19 19 GLY CA C 19 46.200 44.425 1.775 1
1 157 . 16 1 1 A 19 19 GLY N N 19 111.300 106.825 4.475 1
1 158 . 16 1 1 A 20 20 VAL H H 20 8.070 7.705 0.365 1
1 159 . 16 1 1 A 20 20 VAL HA H 20 4.750 4.297 0.453 1
1 167 . 16 1 1 A 20 20 VAL C C 20 172.300 173.874 -1.574 1
1 168 . 16 1 1 A 20 20 VAL CA C 20 60.200 59.974 0.226 1
1 169 . 16 1 1 A 20 20 VAL CB C 20 36.100 35.772 0.328 1
1 172 . 16 1 1 A 20 20 VAL N N 20 120.700 118.741 1.959 1
1 173 . 16 1 1 A 21 21 TYR H H 21 9.560 8.368 1.192 1
1 174 . 16 1 1 A 21 21 TYR HA H 21 5.230 5.522 -0.292 1
1 177 . 16 1 1 A 21 21 TYR C C 21 175.600 175.128 0.472 1
1 178 . 16 1 1 A 21 21 TYR CA C 21 56.800 56.147 0.653 1
1 179 . 16 1 1 A 21 21 TYR CB C 21 39.200 41.755 -2.555 1
1 180 . 16 1 1 A 21 21 TYR N N 21 123.200 121.615 1.585 1
1 181 . 16 1 1 A 22 22 VAL H H 22 9.400 8.663 0.737 1
1 182 . 16 1 1 A 22 22 VAL HA H 22 4.950 5.273 -0.323 1
1 190 . 16 1 1 A 22 22 VAL C C 22 174.000 174.504 -0.504 1
1 191 . 16 1 1 A 22 22 VAL CA C 22 57.100 59.240 -2.140 1
1 192 . 16 1 1 A 22 22 VAL CB C 22 33.900 35.762 -1.862 1
1 195 . 16 1 1 A 22 22 VAL N N 22 119.100 116.701 2.399 1
1 196 . 16 1 1 A 23 23 CYS H H 23 9.020 8.582 0.438 1
1 197 . 16 1 1 A 23 23 CYS HA H 23 4.260 4.660 -0.400 1
1 200 . 16 1 1 A 23 23 CYS C C 23 178.700 175.721 2.979 1
1 201 . 16 1 1 A 23 23 CYS CA C 23 60.600 59.355 1.245 1
1 202 . 16 1 1 A 23 23 CYS CB C 23 31.700 28.395 3.305 1
1 203 . 16 1 1 A 23 23 CYS N N 23 123.800 122.318 1.482 1
1 204 . 16 1 1 A 24 24 ALA H H 24 8.760 9.157 -0.397 1
1 205 . 16 1 1 A 24 24 ALA HA H 24 3.840 4.114 -0.274 1
1 209 . 16 1 1 A 24 24 ALA C C 24 177.500 179.968 -2.468 1
1 210 . 16 1 1 A 24 24 ALA CA C 24 55.000 55.368 -0.368 1
1 211 . 16 1 1 A 24 24 ALA CB C 24 18.700 18.504 0.196 1
1 212 . 16 1 1 A 24 24 ALA N N 24 131.900 128.841 3.059 1
1 213 . 16 1 1 A 25 25 LYS H H 25 9.200 7.815 1.385 1
1 214 . 16 1 1 A 25 25 LYS HA H 25 4.380 4.316 0.064 1
1 222 . 16 1 1 A 25 25 LYS C C 25 178.100 178.656 -0.556 1
1 223 . 16 1 1 A 25 25 LYS CA C 25 57.900 58.755 -0.855 1
1 224 . 16 1 1 A 25 25 LYS CB C 25 33.500 33.130 0.370 1
1 228 . 16 1 1 A 25 25 LYS N N 25 120.000 117.936 2.064 1
1 229 . 16 1 1 A 26 26 CYS H H 26 8.730 8.059 0.671 1
1 230 . 16 1 1 A 26 26 CYS HA H 26 5.000 4.265 0.735 1
1 233 . 16 1 1 A 26 26 CYS C C 26 177.000 175.273 1.727 1
1 234 . 16 1 1 A 26 26 CYS CA C 26 59.400 62.694 -3.294 1
1 235 . 16 1 1 A 26 26 CYS CB C 26 32.900 27.501 5.399 1
1 236 . 16 1 1 A 26 26 CYS N N 26 120.900 118.447 2.453 1
1 237 . 16 1 1 A 27 27 SER H H 27 8.170 8.189 -0.019 1
1 238 . 16 1 1 A 27 27 SER HA H 27 4.140 4.475 -0.335 1
1 241 . 16 1 1 A 27 27 SER C C 27 174.800 173.956 0.844 1
1 242 . 16 1 1 A 27 27 SER CA C 27 60.900 59.411 1.489 1
1 243 . 16 1 1 A 27 27 SER CB C 27 61.600 61.108 0.492 1
1 244 . 16 1 1 A 27 27 SER N N 27 115.800 115.536 0.264 1
1 245 . 16 1 1 A 28 28 TYR H H 28 9.010 7.964 1.046 1
1 246 . 16 1 1 A 28 28 TYR HA H 28 4.420 4.765 -0.345 1
1 249 . 16 1 1 A 28 28 TYR C C 28 176.600 174.981 1.619 1
1 250 . 16 1 1 A 28 28 TYR CA C 28 59.300 57.530 1.770 1
1 251 . 16 1 1 A 28 28 TYR CB C 28 39.600 39.051 0.549 1
1 252 . 16 1 1 A 28 28 TYR N N 28 127.100 123.162 3.938 1
1 253 . 16 1 1 A 29 29 GLU H H 29 7.730 8.876 -1.146 1
1 254 . 16 1 1 A 29 29 GLU HA H 29 3.670 5.081 -1.411 1
1 259 . 16 1 1 A 29 29 GLU C C 29 174.900 176.626 -1.726 1
1 260 . 16 1 1 A 29 29 GLU CA C 29 58.700 56.877 1.823 1
1 261 . 16 1 1 A 29 29 GLU CB C 29 29.800 30.148 -0.348 1
1 263 . 16 1 1 A 29 29 GLU N N 29 124.500 126.703 -2.203 1
1 264 . 16 1 1 A 30 30 LEU H H 30 7.940 8.872 -0.932 1
1 265 . 16 1 1 A 30 30 LEU HA H 30 4.140 5.205 -1.065 1
1 274 . 16 1 1 A 30 30 LEU C C 30 175.400 175.375 0.025 1
1 275 . 16 1 1 A 30 30 LEU CA C 30 56.200 53.775 2.425 1
1 276 . 16 1 1 A 30 30 LEU CB C 30 46.700 45.587 1.113 1
1 277 . 16 1 1 A 30 30 LEU N N 30 121.800 121.276 0.524 1
1 278 . 16 1 1 A 31 31 PHE H H 31 7.880 8.968 -1.088 1
1 279 . 16 1 1 A 31 31 PHE HA H 31 4.720 5.115 -0.395 1
1 282 . 16 1 1 A 31 31 PHE C C 31 174.600 172.010 2.590 1
1 283 . 16 1 1 A 31 31 PHE CA C 31 56.600 56.568 0.032 1
1 284 . 16 1 1 A 31 31 PHE CB C 31 45.300 41.654 3.646 1
1 285 . 16 1 1 A 31 31 PHE N N 31 113.300 117.197 -3.897 1
1 286 . 16 1 1 A 32 32 SER H H 32 10.030 8.707 1.323 1
1 287 . 16 1 1 A 32 32 SER HA H 32 4.860 4.575 0.285 1
1 290 . 16 1 1 A 32 32 SER CA C 32 57.000 56.155 0.845 1
1 291 . 16 1 1 A 32 32 SER CB C 32 63.700 64.454 -0.754 1
1 292 . 16 1 1 A 32 32 SER N N 32 118.700 117.826 0.874 1
1 293 . 16 1 1 A 33 33 SER H H 33 8.990 8.476 0.514 1
1 294 . 16 1 1 A 33 33 SER HA H 33 4.840 4.204 0.636 1
1 297 . 16 1 1 A 33 33 SER C C 33 177.300 176.285 1.015 1
1 298 . 16 1 1 A 33 33 SER CA C 33 63.700 60.579 3.121 1
1 299 . 16 1 1 A 33 33 SER CB C 33 63.700 63.244 0.456 1
1 300 . 16 1 1 A 33 33 SER N N 33 123.100 121.638 1.462 1
1 301 . 16 1 1 A 34 34 HIS HA H 34 4.710 4.434 0.276 1
1 304 . 16 1 1 A 34 34 HIS C C 34 175.800 177.854 -2.054 1
1 305 . 16 1 1 A 34 34 HIS CA C 34 57.900 58.507 -0.607 1
1 306 . 16 1 1 A 34 34 HIS CB C 34 28.600 29.610 -1.010 1
1 307 . 16 1 1 A 35 35 SER H H 35 7.960 7.299 0.661 1
1 308 . 16 1 1 A 35 35 SER HA H 35 4.820 4.298 0.522 1
1 311 . 16 1 1 A 35 35 SER C C 35 173.200 174.978 -1.778 1
1 312 . 16 1 1 A 35 35 SER CA C 35 58.100 61.490 -3.390 1
1 313 . 16 1 1 A 35 35 SER CB C 35 65.300 62.615 2.685 1
1 314 . 16 1 1 A 35 35 SER N N 35 114.500 112.707 1.793 1
1 315 . 16 1 1 A 36 36 LYS H H 36 7.630 7.511 0.119 1
1 316 . 16 1 1 A 36 36 LYS HA H 36 4.890 4.862 0.028 1
1 322 . 16 1 1 A 36 36 LYS C C 36 176.100 175.635 0.465 1
1 323 . 16 1 1 A 36 36 LYS CA C 36 55.400 55.554 -0.154 1
1 324 . 16 1 1 A 36 36 LYS CB C 36 35.400 34.170 1.230 1
1 328 . 16 1 1 A 36 36 LYS N N 36 126.900 120.407 6.493 1
1 329 . 16 1 1 A 37 37 TYR H H 37 8.440 8.766 -0.326 1
1 330 . 16 1 1 A 37 37 TYR HA H 37 5.100 5.424 -0.324 1
1 333 . 16 1 1 A 37 37 TYR C C 37 172.800 174.237 -1.437 1
1 334 . 16 1 1 A 37 37 TYR CA C 37 55.400 55.455 -0.055 1
1 335 . 16 1 1 A 37 37 TYR CB C 37 41.000 41.076 -0.076 1
1 336 . 16 1 1 A 37 37 TYR N N 37 124.200 117.052 7.148 1
1 337 . 16 1 1 A 38 38 ALA H H 38 8.590 8.539 0.051 1
1 338 . 16 1 1 A 38 38 ALA HA H 38 4.630 4.350 0.280 1
1 342 . 16 1 1 A 38 38 ALA C C 38 175.900 177.498 -1.598 1
1 343 . 16 1 1 A 38 38 ALA CA C 38 52.500 53.095 -0.595 1
1 344 . 16 1 1 A 38 38 ALA CB C 38 18.300 19.334 -1.034 1
1 345 . 16 1 1 A 38 38 ALA N N 38 125.100 122.486 2.614 1
1 346 . 16 1 1 A 39 39 HIS H H 39 8.080 8.850 -0.770 1
1 347 . 16 1 1 A 39 39 HIS HA H 39 4.620 4.996 -0.376 1
1 352 . 16 1 1 A 39 39 HIS C C 39 174.100 173.978 0.122 1
1 353 . 16 1 1 A 39 39 HIS CA C 39 57.000 55.032 1.968 1
1 354 . 16 1 1 A 39 39 HIS CB C 39 34.600 29.857 4.743 1
1 355 . 16 1 1 A 39 39 HIS N N 39 125.600 119.972 5.628 1
1 356 . 16 1 1 A 40 40 SER H H 40 6.860 8.917 -2.057 1
1 357 . 16 1 1 A 40 40 SER HA H 40 4.060 4.927 -0.867 1
1 360 . 16 1 1 A 40 40 SER C C 40 174.900 174.113 0.787 1
1 361 . 16 1 1 A 40 40 SER CA C 40 58.800 57.002 1.798 1
1 362 . 16 1 1 A 40 40 SER CB C 40 62.700 65.160 -2.460 1
1 363 . 16 1 1 A 40 40 SER N N 40 118.700 120.666 -1.966 1
1 364 . 16 1 1 A 41 41 SER H H 41 9.140 8.493 0.647 1
1 365 . 16 1 1 A 41 41 SER HA H 41 4.480 4.577 -0.097 1
1 368 . 16 1 1 A 41 41 SER C C 41 173.600 173.058 0.542 1
1 369 . 16 1 1 A 41 41 SER CA C 41 57.800 57.935 -0.135 1
1 370 . 16 1 1 A 41 41 SER CB C 41 63.600 64.405 -0.805 1
1 371 . 16 1 1 A 41 41 SER N N 41 122.500 122.347 0.153 1
1 372 . 16 1 1 A 42 42 PRO HA H 42 4.040 4.005 0.035 1
1 379 . 16 1 1 A 42 42 PRO C C 42 174.900 176.532 -1.632 1
1 380 . 16 1 1 A 42 42 PRO CA C 42 63.700 62.960 0.740 1
1 381 . 16 1 1 A 42 42 PRO CB C 42 31.500 31.793 -0.293 1
1 384 . 16 1 1 A 43 43 TRP H H 43 6.590 8.021 -1.431 1
1 385 . 16 1 1 A 43 43 TRP HA H 43 4.850 4.096 0.754 1
1 394 . 16 1 1 A 43 43 TRP C C 43 174.100 174.998 -0.898 1
1 395 . 16 1 1 A 43 43 TRP CA C 43 57.300 57.675 -0.375 1
1 396 . 16 1 1 A 43 43 TRP CB C 43 29.500 27.110 2.390 1
1 397 . 16 1 1 A 43 43 TRP N N 43 113.900 117.347 -3.447 1
1 399 . 16 1 1 A 44 44 PRO HA H 44 3.810 4.548 -0.738 1
1 405 . 16 1 1 A 44 44 PRO C C 44 174.800 175.535 -0.735 1
1 406 . 16 1 1 A 44 44 PRO CA C 44 63.200 62.422 0.778 1
1 407 . 16 1 1 A 44 44 PRO CB C 44 32.200 32.683 -0.483 1
1 410 . 16 1 1 A 45 45 ALA H H 45 7.850 8.312 -0.462 1
1 411 . 16 1 1 A 45 45 ALA HA H 45 5.260 4.986 0.274 1
1 415 . 16 1 1 A 45 45 ALA C C 45 174.800 175.522 -0.722 1
1 416 . 16 1 1 A 45 45 ALA CA C 45 50.100 51.508 -1.408 1
1 417 . 16 1 1 A 45 45 ALA CB C 45 20.800 22.874 -2.074 1
1 418 . 16 1 1 A 45 45 ALA N N 45 126.700 120.184 6.516 1
1 419 . 16 1 1 A 46 46 PHE H H 46 8.080 8.303 -0.223 1
1 420 . 16 1 1 A 46 46 PHE HA H 46 5.860 5.745 0.115 1
1 424 . 16 1 1 A 46 46 PHE C C 46 177.800 176.473 1.327 1
1 425 . 16 1 1 A 46 46 PHE CA C 46 54.800 55.626 -0.826 1
1 426 . 16 1 1 A 46 46 PHE CB C 46 44.500 42.220 2.280 1
1 427 . 16 1 1 A 46 46 PHE N N 46 115.600 115.482 0.118 1
1 428 . 16 1 1 A 47 47 THR H H 47 9.190 9.088 0.102 1
1 429 . 16 1 1 A 47 47 THR HA H 47 5.220 4.446 0.774 1
1 434 . 16 1 1 A 47 47 THR C C 47 175.000 174.211 0.789 1
1 435 . 16 1 1 A 47 47 THR CA C 47 63.000 66.164 -3.164 1
1 436 . 16 1 1 A 47 47 THR CB C 47 70.500 68.461 2.039 1
1 438 . 16 1 1 A 47 47 THR N N 47 109.900 115.630 -5.730 1
1 439 . 16 1 1 A 48 48 GLU H H 48 7.320 7.942 -0.622 1
1 440 . 16 1 1 A 48 48 GLU HA H 48 4.920 4.822 0.098 1
1 445 . 16 1 1 A 48 48 GLU C C 48 175.400 175.294 0.106 1
1 446 . 16 1 1 A 48 48 GLU CA C 48 55.200 54.577 0.623 1
1 447 . 16 1 1 A 48 48 GLU CB C 48 31.900 33.640 -1.740 1
1 449 . 16 1 1 A 48 48 GLU N N 48 115.400 119.068 -3.668 1
1 450 . 16 1 1 A 49 49 THR H H 49 8.150 8.413 -0.263 1
1 451 . 16 1 1 A 49 49 THR HA H 49 4.090 4.870 -0.780 1
1 456 . 16 1 1 A 49 49 THR C C 49 175.800 175.692 0.108 1
1 457 . 16 1 1 A 49 49 THR CA C 49 60.000 59.397 0.603 1
1 458 . 16 1 1 A 49 49 THR CB C 49 70.400 72.148 -1.748 1
1 460 . 16 1 1 A 49 49 THR N N 49 111.400 111.376 0.024 1
1 461 . 16 1 1 A 50 50 ILE H H 50 7.720 8.924 -1.204 1
1 462 . 16 1 1 A 50 50 ILE HA H 50 3.630 3.793 -0.163 1
1 472 . 16 1 1 A 50 50 ILE C C 50 174.500 176.000 -1.500 1
1 473 . 16 1 1 A 50 50 ILE CA C 50 64.100 63.999 0.101 1
1 474 . 16 1 1 A 50 50 ILE CB C 50 38.700 37.787 0.913 1
1 478 . 16 1 1 A 50 50 ILE N N 50 121.700 122.043 -0.343 1
1 479 . 16 1 1 A 51 51 HIS H H 51 7.400 8.030 -0.630 1
1 480 . 16 1 1 A 51 51 HIS HA H 51 5.300 4.157 1.143 1
1 484 . 16 1 1 A 51 51 HIS C C 51 175.500 174.645 0.855 1
1 485 . 16 1 1 A 51 51 HIS CA C 51 51.800 56.706 -4.906 1
1 486 . 16 1 1 A 51 51 HIS CB C 51 29.700 27.889 1.811 1
1 487 . 16 1 1 A 51 51 HIS N N 51 115.500 120.238 -4.738 1
1 488 . 16 1 1 A 52 52 PRO HA H 52 4.350 4.329 0.021 1
1 495 . 16 1 1 A 52 52 PRO C C 52 176.900 175.760 1.140 1
1 496 . 16 1 1 A 52 52 PRO CA C 52 64.800 62.765 2.035 1
1 497 . 16 1 1 A 52 52 PRO CB C 52 31.300 32.403 -1.103 1
1 500 . 16 1 1 A 53 53 ASP H H 53 8.070 8.254 -0.184 1
1 501 . 16 1 1 A 53 53 ASP HA H 53 4.760 4.630 0.130 1
1 504 . 16 1 1 A 53 53 ASP C C 53 176.900 176.252 0.648 1
1 505 . 16 1 1 A 53 53 ASP CA C 53 52.100 53.689 -1.589 1
1 506 . 16 1 1 A 53 53 ASP CB C 53 39.700 40.385 -0.685 1
1 507 . 16 1 1 A 53 53 ASP N N 53 114.300 120.493 -6.193 1
1 508 . 16 1 1 A 54 54 SER H H 54 7.720 8.049 -0.329 1
1 509 . 16 1 1 A 54 54 SER HA H 54 4.040 4.599 -0.559 1
1 512 . 16 1 1 A 54 54 SER C C 54 173.200 173.994 -0.794 1
1 513 . 16 1 1 A 54 54 SER CA C 54 64.100 58.626 5.474 1
1 514 . 16 1 1 A 54 54 SER CB C 54 64.200 64.182 0.018 1
1 515 . 16 1 1 A 54 54 SER N N 54 116.300 114.159 2.141 1
1 516 . 16 1 1 A 55 55 VAL H H 55 7.360 7.309 0.051 1
1 517 . 16 1 1 A 55 55 VAL HA H 55 5.280 4.734 0.546 1
1 525 . 16 1 1 A 55 55 VAL C C 55 175.700 174.378 1.322 1
1 526 . 16 1 1 A 55 55 VAL CA C 55 57.300 59.976 -2.676 1
1 527 . 16 1 1 A 55 55 VAL CB C 55 34.800 34.248 0.552 1
1 530 . 16 1 1 A 55 55 VAL N N 55 105.200 117.386 -12.186 1
1 531 . 16 1 1 A 56 56 THR H H 56 8.780 8.669 0.111 1
1 532 . 16 1 1 A 56 56 THR HA H 56 4.530 5.127 -0.597 1
1 537 . 16 1 1 A 56 56 THR C C 56 173.800 173.161 0.639 1
1 538 . 16 1 1 A 56 56 THR CA C 56 60.500 60.111 0.389 1
1 539 . 16 1 1 A 56 56 THR CB C 56 70.400 71.888 -1.488 1
1 541 . 16 1 1 A 56 56 THR N N 56 116.000 116.554 -0.554 1
1 542 . 16 1 1 A 57 57 LYS H H 57 8.610 8.900 -0.290 1
1 543 . 16 1 1 A 57 57 LYS HA H 57 5.490 5.249 0.241 1
1 550 . 16 1 1 A 57 57 LYS C C 57 176.000 175.233 0.767 1
1 551 . 16 1 1 A 57 57 LYS CA C 57 54.600 54.281 0.319 1
1 552 . 16 1 1 A 57 57 LYS CB C 57 36.000 36.153 -0.153 1
1 556 . 16 1 1 A 57 57 LYS N N 57 121.900 124.010 -2.110 1
1 557 . 16 1 1 A 58 58 CYS H H 58 8.610 9.011 -0.401 1
1 558 . 16 1 1 A 58 58 CYS HA H 58 5.100 5.035 0.065 1
1 561 . 16 1 1 A 58 58 CYS CA C 58 55.200 56.498 -1.298 1
1 562 . 16 1 1 A 58 58 CYS CB C 58 29.700 30.760 -1.060 1
1 563 . 16 1 1 A 58 58 CYS N N 58 120.600 117.646 2.954 1
1 564 . 16 1 1 A 59 59 PRO HA H 59 4.590 4.513 0.077 1
1 571 . 16 1 1 A 59 59 PRO C C 59 176.600 176.854 -0.254 1
1 572 . 16 1 1 A 59 59 PRO CA C 59 63.700 62.319 1.381 1
1 573 . 16 1 1 A 59 59 PRO CB C 59 32.100 31.990 0.110 1
1 576 . 16 1 1 A 60 60 GLU H H 60 8.630 8.139 0.491 1
1 577 . 16 1 1 A 60 60 GLU HA H 60 4.450 4.475 -0.025 1
1 582 . 16 1 1 A 60 60 GLU C C 60 176.900 177.120 -0.220 1
1 583 . 16 1 1 A 60 60 GLU CA C 60 55.700 56.348 -0.648 1
1 584 . 16 1 1 A 60 60 GLU CB C 60 30.500 30.247 0.253 1
1 586 . 16 1 1 A 60 60 GLU N N 60 123.900 121.266 2.634 1
1 587 . 16 1 1 A 61 61 LYS H H 61 8.780 8.433 0.347 1
1 588 . 16 1 1 A 61 61 LYS HA H 61 3.930 4.483 -0.553 1
1 596 . 16 1 1 A 61 61 LYS C C 61 177.100 177.950 -0.850 1
1 597 . 16 1 1 A 61 61 LYS CA C 61 58.300 57.000 1.300 1
1 598 . 16 1 1 A 61 61 LYS CB C 61 31.900 33.814 -1.914 1
1 602 . 16 1 1 A 61 61 LYS N N 61 127.000 120.155 6.845 1
1 603 . 16 1 1 A 62 62 ASN H H 62 8.870 8.417 0.453 1
1 604 . 16 1 1 A 62 62 ASN HA H 62 4.520 4.601 -0.081 1
1 609 . 16 1 1 A 62 62 ASN C C 62 174.400 175.512 -1.112 1
1 610 . 16 1 1 A 62 62 ASN CA C 62 54.000 53.908 0.092 1
1 611 . 16 1 1 A 62 62 ASN CB C 62 38.000 37.530 0.470 1
1 612 . 16 1 1 A 62 62 ASN N N 62 117.000 116.968 0.032 1
1 613 . 16 1 1 A 63 63 ARG H H 63 7.430 7.677 -0.247 1
1 614 . 16 1 1 A 63 63 ARG HA H 63 4.810 4.760 0.050 1
1 622 . 16 1 1 A 63 63 ARG C C 63 172.300 174.220 -1.920 1
1 623 . 16 1 1 A 63 63 ARG CA C 63 53.800 53.680 0.120 1
1 624 . 16 1 1 A 63 63 ARG CB C 63 31.300 30.856 0.444 1
1 627 . 16 1 1 A 63 63 ARG N N 63 119.200 119.511 -0.311 1
1 629 . 16 1 1 A 64 64 PRO HA H 64 4.350 4.516 -0.166 1
1 636 . 16 1 1 A 64 64 PRO C C 64 176.900 175.852 1.048 1
1 637 . 16 1 1 A 64 64 PRO CA C 64 64.200 62.848 1.352 1
1 638 . 16 1 1 A 64 64 PRO CB C 64 31.800 29.724 2.076 1
1 641 . 16 1 1 A 65 65 GLU H H 65 9.210 8.577 0.633 1
1 642 . 16 1 1 A 65 65 GLU HA H 65 4.280 4.419 -0.139 1
1 647 . 16 1 1 A 65 65 GLU C C 65 174.300 175.010 -0.710 1
1 648 . 16 1 1 A 65 65 GLU CA C 65 56.600 55.888 0.712 1
1 649 . 16 1 1 A 65 65 GLU CB C 65 28.200 31.296 -3.096 1
1 651 . 16 1 1 A 65 65 GLU N N 65 117.000 120.136 -3.136 1
1 652 . 16 1 1 A 66 66 ALA H H 66 8.040 6.999 1.041 1
1 653 . 16 1 1 A 66 66 ALA HA H 66 5.230 4.344 0.886 1
1 657 . 16 1 1 A 66 66 ALA C C 66 174.900 175.012 -0.112 1
1 658 . 16 1 1 A 66 66 ALA CA C 66 50.300 51.297 -0.997 1
1 659 . 16 1 1 A 66 66 ALA CB C 66 22.200 21.935 0.265 1
1 660 . 16 1 1 A 66 66 ALA N N 66 124.800 120.444 4.356 1
1 661 . 16 1 1 A 67 67 LEU H H 67 8.710 8.806 -0.096 1
1 662 . 16 1 1 A 67 67 LEU HA H 67 4.800 4.989 -0.189 1
1 672 . 16 1 1 A 67 67 LEU C C 67 177.200 174.602 2.598 1
1 673 . 16 1 1 A 67 67 LEU CA C 67 52.800 53.730 -0.930 1
1 674 . 16 1 1 A 67 67 LEU CB C 67 43.200 46.716 -3.516 1
1 678 . 16 1 1 A 67 67 LEU N N 67 120.400 120.261 0.139 1
1 679 . 16 1 1 A 68 68 LYS H H 68 9.180 8.925 0.255 1
1 680 . 16 1 1 A 68 68 LYS HA H 68 4.050 4.721 -0.671 1
1 689 . 16 1 1 A 68 68 LYS C C 68 176.900 175.109 1.791 1
1 690 . 16 1 1 A 68 68 LYS CA C 68 57.100 54.518 2.582 1
1 691 . 16 1 1 A 68 68 LYS CB C 68 32.600 34.770 -2.170 1
1 695 . 16 1 1 A 68 68 LYS N N 68 125.300 122.808 2.492 1
1 696 . 16 1 1 A 69 69 VAL H H 69 8.150 8.645 -0.495 1
1 697 . 16 1 1 A 69 69 VAL HA H 69 5.240 4.841 0.399 1
1 705 . 16 1 1 A 69 69 VAL C C 69 174.900 174.711 0.189 1
1 706 . 16 1 1 A 69 69 VAL CA C 69 59.900 61.081 -1.181 1
1 707 . 16 1 1 A 69 69 VAL CB C 69 34.700 33.833 0.867 1
1 710 . 16 1 1 A 69 69 VAL N N 69 121.600 125.396 -3.796 1
1 711 . 16 1 1 A 70 70 SER H H 70 8.610 8.554 0.056 1
1 712 . 16 1 1 A 70 70 SER HA H 70 5.210 4.925 0.285 1
1 715 . 16 1 1 A 70 70 SER C C 70 171.900 172.424 -0.524 1
1 716 . 16 1 1 A 70 70 SER CA C 70 56.600 56.913 -0.313 1
1 717 . 16 1 1 A 70 70 SER CB C 70 65.600 66.050 -0.450 1
1 718 . 16 1 1 A 70 70 SER N N 70 120.600 119.156 1.444 1
1 719 . 16 1 1 A 71 71 CYS H H 71 9.280 8.633 0.647 1
1 720 . 16 1 1 A 71 71 CYS HA H 71 4.130 4.542 -0.412 1
1 723 . 16 1 1 A 71 71 CYS C C 71 178.600 175.157 3.443 1
1 724 . 16 1 1 A 71 71 CYS CA C 71 61.600 58.204 3.396 1
1 725 . 16 1 1 A 71 71 CYS CB C 71 31.300 26.434 4.866 1
1 726 . 16 1 1 A 71 71 CYS N N 71 126.700 121.659 5.041 1
1 727 . 16 1 1 A 72 72 GLY H H 72 9.140 8.399 0.741 1
1 728 . 16 1 1 A 72 72 GLY HA2 H 72 3.760 3.876 -0.116 1
1 729 . 16 1 1 A 72 72 GLY HA3 H 72 3.670 3.877 -0.207 1
1 730 . 16 1 1 A 72 72 GLY C C 72 172.500 175.945 -3.445 1
1 731 . 16 1 1 A 72 72 GLY CA C 72 46.200 47.225 -1.025 1
1 732 . 16 1 1 A 72 72 GLY N N 72 120.100 113.833 6.267 1
1 733 . 16 1 1 A 73 73 LYS H H 73 9.090 8.050 1.040 1
1 734 . 16 1 1 A 73 73 LYS HA H 73 4.210 4.043 0.167 1
1 742 . 16 1 1 A 73 73 LYS C C 73 177.600 178.221 -0.621 1
1 743 . 16 1 1 A 73 73 LYS CA C 73 56.600 59.147 -2.547 1
1 744 . 16 1 1 A 73 73 LYS CB C 73 32.700 32.149 0.551 1
1 748 . 16 1 1 A 73 73 LYS N N 73 124.400 120.924 3.476 1
1 749 . 16 1 1 A 74 74 CYS H H 74 8.590 7.721 0.869 1
1 750 . 16 1 1 A 74 74 CYS HA H 74 4.910 4.614 0.296 1
1 753 . 16 1 1 A 74 74 CYS C C 74 177.400 175.669 1.731 1
1 754 . 16 1 1 A 74 74 CYS CA C 74 58.900 58.636 0.264 1
1 755 . 16 1 1 A 74 74 CYS CB C 74 33.300 29.248 4.052 1
1 756 . 16 1 1 A 74 74 CYS N N 74 119.700 114.187 5.513 1
1 757 . 16 1 1 A 75 75 GLY H H 75 7.760 8.841 -1.081 1
1 758 . 16 1 1 A 75 75 GLY HA2 H 75 4.210 3.964 0.246 1
1 759 . 16 1 1 A 75 75 GLY HA3 H 75 3.750 3.966 -0.216 1
1 760 . 16 1 1 A 75 75 GLY C C 75 174.000 173.775 0.225 1
1 761 . 16 1 1 A 75 75 GLY CA C 75 46.100 46.558 -0.458 1
1 762 . 16 1 1 A 75 75 GLY N N 75 113.000 111.458 1.542 1
1 763 . 16 1 1 A 76 76 ASN H H 76 9.050 7.730 1.320 1
1 764 . 16 1 1 A 76 76 ASN HA H 76 4.500 5.105 -0.605 1
1 769 . 16 1 1 A 76 76 ASN C C 76 178.700 174.134 4.566 1
1 770 . 16 1 1 A 76 76 ASN CA C 76 54.700 51.258 3.442 1
1 771 . 16 1 1 A 76 76 ASN CB C 76 39.800 40.536 -0.736 1
1 772 . 16 1 1 A 76 76 ASN N N 76 123.700 118.644 5.056 1
1 774 . 16 1 1 A 77 77 GLY H H 77 8.660 8.390 0.270 1
1 775 . 16 1 1 A 77 77 GLY HA2 H 77 3.970 4.176 -0.206 1
1 776 . 16 1 1 A 77 77 GLY HA3 H 77 3.710 4.181 -0.471 1
1 777 . 16 1 1 A 77 77 GLY C C 77 173.800 174.756 -0.956 1
1 778 . 16 1 1 A 77 77 GLY CA C 77 47.300 45.558 1.742 1
1 779 . 16 1 1 A 77 77 GLY N N 77 115.600 109.393 6.207 1
1 780 . 16 1 1 A 78 78 LEU H H 78 8.600 8.557 0.043 1
1 781 . 16 1 1 A 78 78 LEU HA H 78 4.810 4.243 0.567 1
1 791 . 16 1 1 A 78 78 LEU C C 78 173.800 177.005 -3.205 1
1 792 . 16 1 1 A 78 78 LEU CA C 78 54.900 57.717 -2.817 1
1 793 . 16 1 1 A 78 78 LEU CB C 78 45.000 42.761 2.239 1
1 797 . 16 1 1 A 78 78 LEU N N 78 122.700 123.660 -0.960 1
1 798 . 16 1 1 A 79 79 GLY H H 79 7.100 7.160 -0.060 1
1 799 . 16 1 1 A 79 79 GLY HA2 H 79 4.650 4.450 0.200 1
1 800 . 16 1 1 A 79 79 GLY HA3 H 79 3.020 4.505 -1.485 1
1 801 . 16 1 1 A 79 79 GLY C C 79 173.000 171.882 1.118 1
1 802 . 16 1 1 A 79 79 GLY CA C 79 44.900 45.746 -0.846 1
1 803 . 16 1 1 A 79 79 GLY N N 79 102.400 106.130 -3.730 1
1 804 . 16 1 1 A 80 80 HIS H H 80 8.580 8.876 -0.296 1
1 805 . 16 1 1 A 80 80 HIS HA H 80 5.470 5.297 0.173 1
1 810 . 16 1 1 A 80 80 HIS C C 80 172.300 173.870 -1.570 1
1 811 . 16 1 1 A 80 80 HIS CA C 80 55.000 55.109 -0.109 1
1 812 . 16 1 1 A 80 80 HIS CB C 80 34.500 32.958 1.542 1
1 813 . 16 1 1 A 80 80 HIS N N 80 122.400 118.501 3.899 1
1 814 . 16 1 1 A 81 81 GLU H H 81 9.260 9.097 0.163 1
1 815 . 16 1 1 A 81 81 GLU HA H 81 4.100 4.116 -0.016 1
1 820 . 16 1 1 A 81 81 GLU C C 81 174.300 174.936 -0.636 1
1 821 . 16 1 1 A 81 81 GLU CA C 81 54.700 54.807 -0.107 1
1 822 . 16 1 1 A 81 81 GLU CB C 81 31.600 32.722 -1.122 1
1 824 . 16 1 1 A 81 81 GLU N N 81 123.700 120.689 3.011 1
1 825 . 16 1 1 A 82 82 PHE H H 82 9.150 8.980 0.170 1
1 826 . 16 1 1 A 82 82 PHE HA H 82 5.080 4.619 0.461 1
1 830 . 16 1 1 A 82 82 PHE C C 82 174.300 174.784 -0.484 1
1 831 . 16 1 1 A 82 82 PHE CA C 82 56.700 57.482 -0.782 1
1 832 . 16 1 1 A 82 82 PHE CB C 82 38.800 38.722 0.078 1
1 833 . 16 1 1 A 82 82 PHE N N 82 126.900 127.518 -0.618 1
1 834 . 16 1 1 A 83 83 LEU H H 83 8.280 8.183 0.097 1
1 835 . 16 1 1 A 83 83 LEU HA H 83 4.100 4.908 -0.808 1
1 845 . 16 1 1 A 83 83 LEU C C 83 176.200 175.835 0.365 1
1 846 . 16 1 1 A 83 83 LEU CA C 83 55.500 53.411 2.089 1
1 847 . 16 1 1 A 83 83 LEU CB C 83 42.000 45.490 -3.490 1
1 849 . 16 1 1 A 83 83 LEU N N 83 126.900 125.996 0.904 1
1 850 . 16 1 1 A 84 84 ASN H H 84 9.260 8.800 0.460 1
1 851 . 16 1 1 A 84 84 ASN HA H 84 4.290 4.329 -0.039 1
1 856 . 16 1 1 A 84 84 ASN C C 84 174.400 174.041 0.359 1
1 857 . 16 1 1 A 84 84 ASN CA C 84 54.800 54.955 -0.155 1
1 858 . 16 1 1 A 84 84 ASN CB C 84 37.900 37.218 0.682 1
1 859 . 16 1 1 A 84 84 ASN N N 84 116.900 119.022 -2.122 1
1 861 . 16 1 1 A 85 85 ASP H H 85 7.140 8.045 -0.905 1
1 862 . 16 1 1 A 85 85 ASP HA H 85 5.200 4.888 0.312 1
1 865 . 16 1 1 A 85 85 ASP C C 85 176.000 175.845 0.155 1
1 866 . 16 1 1 A 85 85 ASP CA C 85 53.800 53.958 -0.158 1
1 867 . 16 1 1 A 85 85 ASP CB C 85 45.500 43.042 2.458 1
1 868 . 16 1 1 A 85 85 ASP N N 85 117.200 118.093 -0.893 1
1 869 . 16 1 1 A 86 86 GLY H H 86 8.230 8.114 0.116 1
1 870 . 16 1 1 A 86 86 GLY HA2 H 86 4.140 4.459 -0.319 1
1 871 . 16 1 1 A 86 86 GLY HA3 H 86 3.280 4.466 -1.186 1
1 872 . 16 1 1 A 86 86 GLY C C 86 171.700 173.708 -2.008 1
1 873 . 16 1 1 A 86 86 GLY CA C 86 44.600 45.768 -1.168 1
1 874 . 16 1 1 A 86 86 GLY N N 86 107.600 106.550 1.050 1
1 875 . 16 1 1 A 87 87 PRO HA H 87 4.190 4.527 -0.337 1
1 882 . 16 1 1 A 87 87 PRO C C 87 177.000 176.334 0.666 1
1 883 . 16 1 1 A 87 87 PRO CA C 87 65.200 64.085 1.115 1
1 884 . 16 1 1 A 87 87 PRO CB C 87 31.700 31.698 0.002 1
1 887 . 16 1 1 A 88 88 LYS H H 88 7.310 7.933 -0.623 1
1 888 . 16 1 1 A 88 88 LYS HA H 88 4.480 4.428 0.052 1
1 897 . 16 1 1 A 88 88 LYS C C 88 175.700 175.532 0.168 1
1 898 . 16 1 1 A 88 88 LYS CA C 88 53.700 55.492 -1.792 1
1 899 . 16 1 1 A 88 88 LYS CB C 88 34.900 32.007 2.893 1
1 903 . 16 1 1 A 88 88 LYS N N 88 116.200 118.667 -2.467 1
1 904 . 16 1 1 A 89 89 ARG H H 89 8.320 8.690 -0.370 1
1 905 . 16 1 1 A 89 89 ARG HA H 89 4.010 3.880 0.130 1
1 912 . 16 1 1 A 89 89 ARG C C 89 177.500 177.351 0.149 1
1 913 . 16 1 1 A 89 89 ARG CA C 89 57.900 57.911 -0.011 1
1 914 . 16 1 1 A 89 89 ARG CB C 89 32.100 30.568 1.532 1
1 917 . 16 1 1 A 89 89 ARG N N 89 122.200 124.865 -2.665 1
1 919 . 16 1 1 A 90 90 GLY H H 90 8.950 8.710 0.240 1
1 920 . 16 1 1 A 90 90 GLY HA2 H 90 4.240 3.943 0.297 1
1 921 . 16 1 1 A 90 90 GLY HA3 H 90 3.850 3.947 -0.097 1
1 922 . 16 1 1 A 90 90 GLY C C 90 175.000 173.356 1.644 1
1 923 . 16 1 1 A 90 90 GLY CA C 90 45.100 45.471 -0.371 1
1 924 . 16 1 1 A 90 90 GLY N N 90 115.100 110.870 4.230 1
1 925 . 16 1 1 A 91 91 GLN H H 91 8.120 7.986 0.134 1
1 926 . 16 1 1 A 91 91 GLN HA H 91 4.580 4.865 -0.285 1
1 933 . 16 1 1 A 91 91 GLN C C 91 177.000 174.903 2.097 1
1 934 . 16 1 1 A 91 91 GLN CA C 91 55.900 53.745 2.155 1
1 935 . 16 1 1 A 91 91 GLN CB C 91 31.000 32.032 -1.032 1
1 937 . 16 1 1 A 91 91 GLN N N 91 120.900 119.778 1.122 1
1 938 . 16 1 1 A 92 92 SER H H 92 9.210 8.839 0.371 1
1 939 . 16 1 1 A 92 92 SER HA H 92 4.820 5.069 -0.249 1
1 942 . 16 1 1 A 92 92 SER C C 92 171.600 172.894 -1.294 1
1 943 . 16 1 1 A 92 92 SER CA C 92 57.700 57.830 -0.130 1
1 944 . 16 1 1 A 92 92 SER CB C 92 65.200 66.217 -1.017 1
1 945 . 16 1 1 A 92 92 SER N N 92 120.900 116.063 4.837 1
1 946 . 16 1 1 A 93 93 ARG H H 93 7.820 8.997 -1.177 1
1 947 . 16 1 1 A 93 93 ARG HA H 93 4.950 4.974 -0.024 1
1 952 . 16 1 1 A 93 93 ARG C C 93 176.400 174.231 2.169 1
1 953 . 16 1 1 A 93 93 ARG CA C 93 55.200 55.023 0.177 1
1 954 . 16 1 1 A 93 93 ARG CB C 93 34.600 31.618 2.982 1
1 957 . 16 1 1 A 93 93 ARG N N 93 117.800 125.851 -8.051 1
1 958 . 16 1 1 A 94 94 PHE H H 94 9.860 8.302 1.558 1
1 959 . 16 1 1 A 94 94 PHE HA H 94 4.780 5.261 -0.481 1
1 962 . 16 1 1 A 94 94 PHE C C 94 176.400 172.790 3.610 1
1 963 . 16 1 1 A 94 94 PHE CA C 94 58.300 55.133 3.167 1
1 964 . 16 1 1 A 94 94 PHE CB C 94 38.500 41.435 -2.935 1
1 965 . 16 1 1 A 94 94 PHE N N 94 127.100 124.614 2.486 1
1 966 . 16 1 1 A 95 95 CYS H H 95 9.190 8.649 0.541 1
1 967 . 16 1 1 A 95 95 CYS HA H 95 4.810 5.205 -0.395 1
1 970 . 16 1 1 A 95 95 CYS CA C 95 57.300 57.514 -0.214 1
1 971 . 16 1 1 A 95 95 CYS CB C 95 28.700 30.577 -1.877 1
1 972 . 16 1 1 A 95 95 CYS N N 95 128.200 127.129 1.071 1
1 973 . 16 1 1 A 96 96 ILE H H 96 7.510 9.097 -1.587 1
1 974 . 16 1 1 A 96 96 ILE HA H 96 4.620 5.534 -0.914 1
1 983 . 16 1 1 A 96 96 ILE C C 96 173.700 174.051 -0.351 1
1 984 . 16 1 1 A 96 96 ILE CA C 96 55.800 59.238 -3.438 1
1 985 . 16 1 1 A 96 96 ILE CB C 96 39.900 42.317 -2.417 1
1 989 . 16 1 1 A 96 96 ILE N N 96 130.700 124.280 6.420 1
1 990 . 16 1 1 A 97 97 PHE H H 97 8.040 9.038 -0.998 1
1 991 . 16 1 1 A 97 97 PHE HA H 97 4.920 5.005 -0.085 1
1 994 . 16 1 1 A 97 97 PHE C C 97 178.800 177.287 1.513 1
1 995 . 16 1 1 A 97 97 PHE CA C 97 57.500 57.242 0.258 1
1 996 . 16 1 1 A 97 97 PHE CB C 97 38.400 41.638 -3.238 1
1 997 . 16 1 1 A 97 97 PHE N N 97 122.400 124.510 -2.110 1
1 998 . 16 1 1 A 98 98 SER HA H 98 4.380 4.391 -0.011 1
1 1001 . 16 1 1 A 98 98 SER C C 98 176.400 175.866 0.534 1
1 1002 . 16 1 1 A 98 98 SER CA C 98 64.900 61.230 3.670 1
1 1003 . 16 1 1 A 98 98 SER CB C 98 63.600 62.957 0.643 1
1 1004 . 16 1 1 A 99 99 SER H H 99 9.360 8.157 1.203 1
1 1005 . 16 1 1 A 99 99 SER HA H 99 4.300 4.512 -0.212 1
1 1008 . 16 1 1 A 99 99 SER C C 99 175.800 175.822 -0.022 1
1 1009 . 16 1 1 A 99 99 SER CA C 99 60.200 58.638 1.562 1
1 1010 . 16 1 1 A 99 99 SER CB C 99 62.700 63.102 -0.402 1
1 1011 . 16 1 1 A 99 99 SER N N 99 114.100 116.981 -2.881 1
1 1012 . 16 1 1 A 100 100 SER H H 100 8.150 8.297 -0.147 1
1 1013 . 16 1 1 A 100 100 SER HA H 100 4.630 4.701 -0.071 1
1 1016 . 16 1 1 A 100 100 SER C C 100 173.500 174.756 -1.256 1
1 1017 . 16 1 1 A 100 100 SER CA C 100 60.400 61.441 -1.041 1
1 1018 . 16 1 1 A 100 100 SER CB C 100 63.600 63.780 -0.180 1
1 1019 . 16 1 1 A 100 100 SER N N 100 118.700 115.268 3.432 1
1 1020 . 16 1 1 A 101 101 LEU H H 101 8.100 7.683 0.417 1
1 1021 . 16 1 1 A 101 101 LEU HA H 101 5.570 4.648 0.922 1
1 1031 . 16 1 1 A 101 101 LEU C C 101 176.000 174.290 1.710 1
1 1032 . 16 1 1 A 101 101 LEU CA C 101 53.400 54.407 -1.007 1
1 1033 . 16 1 1 A 101 101 LEU CB C 101 46.700 43.861 2.839 1
1 1036 . 16 1 1 A 101 101 LEU N N 101 122.000 115.411 6.589 1
1 1037 . 16 1 1 A 102 102 LYS H H 102 8.950 8.072 0.878 1
1 1038 . 16 1 1 A 102 102 LYS HA H 102 4.710 5.031 -0.321 1
1 1045 . 16 1 1 A 102 102 LYS C C 102 174.400 174.974 -0.574 1
1 1046 . 16 1 1 A 102 102 LYS CA C 102 55.400 54.719 0.681 1
1 1047 . 16 1 1 A 102 102 LYS CB C 102 36.500 35.409 1.091 1
1 1051 . 16 1 1 A 102 102 LYS N N 102 119.500 118.670 0.830 1
1 1052 . 16 1 1 A 103 103 PHE H H 103 9.010 8.851 0.159 1
1 1053 . 16 1 1 A 103 103 PHE HA H 103 4.750 4.774 -0.024 1
1 1056 . 16 1 1 A 103 103 PHE C C 103 173.900 173.313 0.587 1
1 1057 . 16 1 1 A 103 103 PHE CA C 103 57.100 55.265 1.835 1
1 1058 . 16 1 1 A 103 103 PHE CB C 103 41.300 41.802 -0.502 1
1 1059 . 16 1 1 A 103 103 PHE N N 103 124.500 123.399 1.101 1
1 1060 . 16 1 1 A 104 104 VAL H H 104 8.550 8.728 -0.178 1
1 1061 . 16 1 1 A 104 104 VAL HA H 104 4.140 4.528 -0.388 1
1 1069 . 16 1 1 A 104 104 VAL C C 104 172.800 173.468 -0.668 1
1 1070 . 16 1 1 A 104 104 VAL CA C 104 58.800 58.486 0.314 1
1 1071 . 16 1 1 A 104 104 VAL CB C 104 32.300 33.088 -0.788 1
1 1074 . 16 1 1 A 104 104 VAL N N 104 132.000 127.859 4.141 1
1 1075 . 16 1 1 A 105 105 PRO HA H 105 4.110 4.077 0.033 1
1 1082 . 16 1 1 A 105 105 PRO C C 105 176.400 176.848 -0.448 1
1 1083 . 16 1 1 A 105 105 PRO CA C 105 62.400 62.255 0.145 1
1 1084 . 16 1 1 A 105 105 PRO CB C 105 32.400 31.662 0.738 1
1 1087 . 16 1 1 A 106 106 LYS H H 106 7.900 8.172 -0.272 1
1 1088 . 16 1 1 A 106 106 LYS HA H 106 4.170 4.432 -0.262 1
1 1096 . 16 1 1 A 106 106 LYS C C 106 176.900 176.425 0.475 1
1 1097 . 16 1 1 A 106 106 LYS CA C 106 56.700 55.921 0.779 1
1 1098 . 16 1 1 A 106 106 LYS CB C 106 33.500 33.324 0.176 1
1 1102 . 16 1 1 A 106 106 LYS N N 106 123.200 121.155 2.045 1
1 1103 . 16 1 1 A 107 107 GLY H H 107 8.740 8.266 0.474 1
1 1104 . 16 1 1 A 107 107 GLY HA2 H 107 3.930 4.175 -0.245 1
1 1105 . 16 1 1 A 107 107 GLY HA3 H 107 3.960 4.176 -0.216 1
1 1106 . 16 1 1 A 107 107 GLY C C 107 174.000 174.665 -0.665 1
1 1107 . 16 1 1 A 107 107 GLY CA C 107 45.000 45.610 -0.610 1
1 1108 . 16 1 1 A 107 107 GLY N N 107 113.500 108.067 5.433 1
1 1109 . 16 1 1 A 108 108 LYS H H 108 8.240 8.491 -0.251 1
1 1110 . 16 1 1 A 108 108 LYS HA H 108 4.290 4.060 0.230 1
1 1118 . 16 1 1 A 108 108 LYS C C 108 176.700 178.699 -1.999 1
1 1119 . 16 1 1 A 108 108 LYS CA C 108 56.000 58.731 -2.731 1
1 1120 . 16 1 1 A 108 108 LYS CB C 108 32.700 32.509 0.191 1
1 1124 . 16 1 1 A 108 108 LYS N N 108 121.500 123.232 -1.732 1
1 1125 . 16 1 1 A 109 109 GLU H H 109 8.650 8.016 0.634 1
1 1126 . 16 1 1 A 109 109 GLU HA H 109 4.180 4.001 0.179 1
1 1131 . 16 1 1 A 109 109 GLU C C 109 176.500 176.222 0.278 1
1 1132 . 16 1 1 A 109 109 GLU CA C 109 56.600 59.373 -2.773 1
1 1133 . 16 1 1 A 109 109 GLU CB C 109 29.900 29.382 0.518 1
1 1135 . 16 1 1 A 109 109 GLU N N 109 122.800 119.363 3.437 1
1 1136 . 16 1 1 A 110 110 ALA H H 110 8.400 7.782 0.618 1
1 1137 . 16 1 1 A 110 110 ALA HA H 110 4.190 3.852 0.338 1
1 1141 . 16 1 1 A 110 110 ALA CA C 110 52.500 54.649 -2.149 1
1 1142 . 16 1 1 A 110 110 ALA CB C 110 19.000 18.131 0.869 1
1 1143 . 16 1 1 A 110 110 ALA N N 110 126.100 120.893 5.207 1
1 1144 . 16 1 1 A 111 111 ALA H H 111 8.240 8.336 -0.096 1
1 1145 . 16 1 1 A 111 111 ALA HA H 111 4.220 3.998 0.222 1
1 1149 . 16 1 1 A 111 111 ALA C C 111 177.800 176.672 1.128 1
1 1150 . 16 1 1 A 111 111 ALA CA C 111 52.600 54.076 -1.476 1
1 1151 . 16 1 1 A 111 111 ALA CB C 111 19.000 18.238 0.762 1
1 1152 . 16 1 1 A 111 111 ALA N N 111 123.800 119.697 4.103 1
1 1153 . 16 1 1 A 112 112 ALA H H 112 8.220 8.725 -0.505 1
1 1154 . 16 1 1 A 112 112 ALA HA H 112 4.250 3.906 0.344 1
1 1158 . 16 1 1 A 112 112 ALA C C 112 178.100 176.117 1.983 1
1 1159 . 16 1 1 A 112 112 ALA CA C 112 52.600 52.842 -0.242 1
1 1160 . 16 1 1 A 112 112 ALA CB C 112 19.100 17.692 1.408 1
1 1161 . 16 1 1 A 112 112 ALA N N 112 123.600 119.711 3.889 1
1 1162 . 16 1 1 A 113 113 SER H H 113 8.200 7.548 0.652 1
1 1163 . 16 1 1 A 113 113 SER HA H 113 4.360 4.953 -0.593 1
1 1166 . 16 1 1 A 113 113 SER C C 113 174.800 172.671 2.129 1
1 1167 . 16 1 1 A 113 113 SER CA C 113 58.300 57.683 0.617 1
1 1168 . 16 1 1 A 113 113 SER CB C 113 63.500 66.398 -2.898 1
1 1169 . 16 1 1 A 113 113 SER N N 113 115.400 108.682 6.718 1
1 1170 . 16 1 1 A 114 114 GLN H H 114 8.320 8.791 -0.471 1
1 1171 . 16 1 1 A 114 114 GLN HA H 114 4.290 4.605 -0.315 1
1 1178 . 16 1 1 A 114 114 GLN C C 114 176.500 175.583 0.917 1
1 1179 . 16 1 1 A 114 114 GLN CA C 114 55.900 54.853 1.047 1
1 1180 . 16 1 1 A 114 114 GLN CB C 114 29.300 31.266 -1.966 1
1 1182 . 16 1 1 A 114 114 GLN N N 114 122.500 124.936 -2.436 1
1 1183 . 16 1 1 A 115 115 GLY H H 115 8.370 8.431 -0.061 1
1 1184 . 16 1 1 A 115 115 GLY HA2 H 115 3.850 4.117 -0.267 1
1 1185 . 16 1 1 A 115 115 GLY HA3 H 115 3.850 4.201 -0.351 1
1 1186 . 16 1 1 A 115 115 GLY C C 115 173.900 172.875 1.025 1
1 1187 . 16 1 1 A 115 115 GLY CA C 115 45.400 44.944 0.456 1
1 1188 . 16 1 1 A 115 115 GLY N N 115 110.000 108.057 1.943 1
1 1189 . 16 1 1 A 116 116 HIS H H 116 8.290 8.652 -0.362 1
1 1190 . 16 1 1 A 116 116 HIS HA H 116 4.620 5.193 -0.573 1
1 1195 . 16 1 1 A 116 116 HIS C C 116 174.600 171.938 2.662 1
1 1196 . 16 1 1 A 116 116 HIS CA C 116 55.500 54.969 0.531 1
1 1197 . 16 1 1 A 116 116 HIS CB C 116 29.100 31.811 -2.711 1
1 1198 . 16 1 1 A 116 116 HIS N N 116 119.100 117.836 1.264 1
1 1199 . 16 1 1 A 117 117 LEU H H 117 8.220 8.804 -0.584 1
1 1200 . 16 1 1 A 117 117 LEU HA H 117 4.240 4.780 -0.540 1
1 1210 . 16 1 1 A 117 117 LEU C C 117 174.600 175.723 -1.123 1
1 1211 . 16 1 1 A 117 117 LEU CA C 117 55.100 54.659 0.441 1
1 1212 . 16 1 1 A 117 117 LEU CB C 117 42.300 43.985 -1.685 1
1 1216 . 16 1 1 A 117 117 LEU N N 117 124.100 124.994 -0.894 1
1 1217 . 16 1 1 A 118 118 GLU H H 118 8.350 9.197 -0.847 1
1 1218 . 16 1 1 A 118 118 GLU HA H 118 4.160 5.165 -1.005 1
1 1223 . 16 1 1 A 118 118 GLU C C 118 176.000 175.003 0.997 1
1 1224 . 16 1 1 A 118 118 GLU CA C 118 56.300 54.306 1.994 1
1 1225 . 16 1 1 A 118 118 GLU CB C 118 30.300 33.875 -3.575 1
1 1227 . 16 1 1 A 118 118 GLU N N 118 122.300 124.292 -1.992 1
1 1228 . 16 1 1 A 119 119 HIS H H 119 8.410 8.665 -0.255 1
1 1229 . 16 1 1 A 119 119 HIS HA H 119 4.570 5.830 -1.260 1
1 1232 . 16 1 1 A 119 119 HIS C C 119 174.500 173.695 0.805 1
1 1233 . 16 1 1 A 119 119 HIS CA C 119 55.400 53.532 1.868 1
1 1234 . 16 1 1 A 119 119 HIS CB C 119 29.400 33.603 -4.203 1
1 1235 . 16 1 1 A 119 119 HIS N N 119 120.500 115.678 4.822 1
1 1236 . 16 1 1 A 120 120 HIS H H 120 8.530 8.716 -0.186 1
1 1237 . 16 1 1 A 120 120 HIS HA H 120 4.640 4.522 0.118 1
1 1240 . 16 1 1 A 120 120 HIS C C 120 174.400 174.747 -0.347 1
1 1241 . 16 1 1 A 120 120 HIS CA C 120 57.900 56.451 1.449 1
1 1242 . 16 1 1 A 120 120 HIS CB C 120 29.400 32.415 -3.015 1
1 1 . 17 1 1 A 3 3 PHE HA H 3 4.650 4.065 0.585 1
1 4 . 17 1 1 A 3 3 PHE C C 3 174.500 174.875 -0.375 1
1 5 . 17 1 1 A 3 3 PHE CA C 3 57.800 58.213 -0.413 1
1 6 . 17 1 1 A 3 3 PHE CB C 3 39.600 37.322 2.278 1
1 7 . 17 1 1 A 4 4 CYS H H 4 8.270 8.226 0.044 1
1 8 . 17 1 1 A 4 4 CYS HA H 4 4.380 5.514 -1.134 1
1 11 . 17 1 1 A 4 4 CYS C C 4 173.800 173.602 0.198 1
1 12 . 17 1 1 A 4 4 CYS CA C 4 58.100 56.992 1.108 1
1 13 . 17 1 1 A 4 4 CYS CB C 4 28.100 31.242 -3.142 1
1 14 . 17 1 1 A 4 4 CYS N N 4 122.600 118.976 3.624 1
1 15 . 17 1 1 A 5 5 SER H H 5 8.250 8.805 -0.555 1
1 16 . 17 1 1 A 5 5 SER HA H 5 4.270 5.291 -1.021 1
1 19 . 17 1 1 A 5 5 SER C C 5 173.700 173.272 0.428 1
1 20 . 17 1 1 A 5 5 SER CA C 5 58.300 57.928 0.372 1
1 21 . 17 1 1 A 5 5 SER CB C 5 63.700 65.900 -2.200 1
1 22 . 17 1 1 A 5 5 SER N N 5 119.600 118.989 0.611 1
1 23 . 17 1 1 A 6 6 PHE H H 6 8.010 8.847 -0.837 1
1 24 . 17 1 1 A 6 6 PHE HA H 6 4.560 5.130 -0.570 1
1 28 . 17 1 1 A 6 6 PHE C C 6 173.700 175.566 -1.866 1
1 29 . 17 1 1 A 6 6 PHE CA C 6 57.600 57.597 0.003 1
1 30 . 17 1 1 A 6 6 PHE CB C 6 39.700 40.551 -0.851 1
1 31 . 17 1 1 A 6 6 PHE N N 6 122.500 124.777 -2.277 1
1 32 . 17 1 1 A 7 7 PHE H H 7 8.230 8.904 -0.674 1
1 33 . 17 1 1 A 7 7 PHE HA H 7 4.530 5.294 -0.764 1
1 36 . 17 1 1 A 7 7 PHE C C 7 175.800 174.334 1.466 1
1 37 . 17 1 1 A 7 7 PHE CA C 7 57.600 57.443 0.157 1
1 38 . 17 1 1 A 7 7 PHE CB C 7 39.700 42.585 -2.885 1
1 39 . 17 1 1 A 7 7 PHE N N 7 123.000 121.253 1.747 1
1 40 . 17 1 1 A 8 8 GLY H H 8 7.870 8.540 -0.670 1
1 41 . 17 1 1 A 8 8 GLY HA2 H 8 3.800 4.235 -0.435 1
1 42 . 17 1 1 A 8 8 GLY HA3 H 8 3.750 4.241 -0.491 1
1 43 . 17 1 1 A 8 8 GLY C C 8 174.300 174.328 -0.028 1
1 44 . 17 1 1 A 8 8 GLY CA C 8 45.300 45.825 -0.525 1
1 45 . 17 1 1 A 8 8 GLY N N 8 111.200 111.312 -0.112 1
1 46 . 17 1 1 A 9 9 GLY H H 9 7.930 8.181 -0.251 1
1 47 . 17 1 1 A 9 9 GLY HA2 H 9 3.920 4.094 -0.174 1
1 48 . 17 1 1 A 9 9 GLY HA3 H 9 3.850 4.139 -0.289 1
1 49 . 17 1 1 A 9 9 GLY C C 9 175.200 172.000 3.200 1
1 50 . 17 1 1 A 9 9 GLY CA C 9 45.100 45.474 -0.374 1
1 51 . 17 1 1 A 9 9 GLY N N 9 108.400 106.794 1.606 1
1 52 . 17 1 1 A 10 10 GLU H H 10 8.400 8.776 -0.376 1
1 53 . 17 1 1 A 10 10 GLU HA H 10 4.360 4.884 -0.524 1
1 58 . 17 1 1 A 10 10 GLU C C 10 178.400 175.895 2.505 1
1 59 . 17 1 1 A 10 10 GLU CA C 10 54.700 54.655 0.045 1
1 60 . 17 1 1 A 10 10 GLU CB C 10 36.700 32.667 4.033 1
1 62 . 17 1 1 A 10 10 GLU N N 10 122.600 124.292 -1.692 1
1 63 . 17 1 1 A 11 11 VAL H H 11 7.940 8.823 -0.883 1
1 64 . 17 1 1 A 11 11 VAL HA H 11 3.680 4.458 -0.778 1
1 72 . 17 1 1 A 11 11 VAL C C 11 176.600 175.605 0.995 1
1 73 . 17 1 1 A 11 11 VAL CA C 11 63.800 61.593 2.207 1
1 74 . 17 1 1 A 11 11 VAL CB C 11 31.200 33.071 -1.871 1
1 77 . 17 1 1 A 11 11 VAL N N 11 120.300 121.291 -0.991 1
1 78 . 17 1 1 A 12 12 PHE H H 12 7.730 8.082 -0.352 1
1 79 . 17 1 1 A 12 12 PHE HA H 12 5.200 4.743 0.457 1
1 83 . 17 1 1 A 12 12 PHE C C 12 177.100 176.750 0.350 1
1 84 . 17 1 1 A 12 12 PHE CA C 12 55.700 58.224 -2.524 1
1 85 . 17 1 1 A 12 12 PHE CB C 12 38.200 39.152 -0.952 1
1 86 . 17 1 1 A 12 12 PHE N N 12 113.700 122.269 -8.569 1
1 87 . 17 1 1 A 13 13 GLN H H 13 8.080 7.766 0.314 1
1 88 . 17 1 1 A 13 13 GLN HA H 13 3.270 4.124 -0.854 1
1 95 . 17 1 1 A 13 13 GLN C C 13 175.400 176.951 -1.551 1
1 96 . 17 1 1 A 13 13 GLN CA C 13 62.100 58.033 4.067 1
1 97 . 17 1 1 A 13 13 GLN CB C 13 27.100 28.913 -1.813 1
1 99 . 17 1 1 A 13 13 GLN N N 13 126.400 120.786 5.614 1
1 100 . 17 1 1 A 14 14 ASN H H 14 8.580 7.557 1.023 1
1 101 . 17 1 1 A 14 14 ASN HA H 14 5.010 4.887 0.123 1
1 106 . 17 1 1 A 14 14 ASN C C 14 173.000 175.198 -2.198 1
1 107 . 17 1 1 A 14 14 ASN CA C 14 51.500 53.240 -1.740 1
1 108 . 17 1 1 A 14 14 ASN CB C 14 37.900 40.193 -2.293 1
1 109 . 17 1 1 A 14 14 ASN N N 14 115.900 116.617 -0.717 1
1 111 . 17 1 1 A 15 15 HIS H H 15 6.070 7.216 -1.146 1
1 112 . 17 1 1 A 15 15 HIS HA H 15 4.370 4.011 0.359 1
1 117 . 17 1 1 A 15 15 HIS C C 15 174.400 175.429 -1.029 1
1 118 . 17 1 1 A 15 15 HIS CA C 15 56.600 56.356 0.244 1
1 119 . 17 1 1 A 15 15 HIS CB C 15 33.400 29.196 4.204 1
1 120 . 17 1 1 A 15 15 HIS N N 15 120.500 117.435 3.065 1
1 121 . 17 1 1 A 16 16 PHE H H 16 8.880 7.657 1.223 1
1 122 . 17 1 1 A 16 16 PHE HA H 16 4.870 4.800 0.070 1
1 125 . 17 1 1 A 16 16 PHE C C 16 174.300 175.423 -1.123 1
1 126 . 17 1 1 A 16 16 PHE CA C 16 57.100 57.025 0.075 1
1 127 . 17 1 1 A 16 16 PHE CB C 16 39.700 39.266 0.434 1
1 128 . 17 1 1 A 16 16 PHE N N 16 127.200 119.450 7.750 1
1 129 . 17 1 1 A 17 17 GLU H H 17 5.780 7.401 -1.621 1
1 130 . 17 1 1 A 17 17 GLU HA H 17 4.500 4.645 -0.145 1
1 135 . 17 1 1 A 17 17 GLU C C 17 174.300 174.682 -0.382 1
1 136 . 17 1 1 A 17 17 GLU CA C 17 53.500 55.030 -1.530 1
1 137 . 17 1 1 A 17 17 GLU CB C 17 30.700 28.402 2.298 1
1 139 . 17 1 1 A 17 17 GLU N N 17 119.900 120.952 -1.052 1
1 140 . 17 1 1 A 18 18 PRO HA H 18 4.630 4.674 -0.044 1
1 147 . 17 1 1 A 18 18 PRO C C 18 178.100 175.913 2.187 1
1 148 . 17 1 1 A 18 18 PRO CA C 18 62.700 62.968 -0.268 1
1 149 . 17 1 1 A 18 18 PRO CB C 18 31.400 33.309 -1.909 1
1 152 . 17 1 1 A 19 19 GLY H H 19 8.820 8.265 0.555 1
1 153 . 17 1 1 A 19 19 GLY HA2 H 19 4.500 3.769 0.731 1
1 154 . 17 1 1 A 19 19 GLY HA3 H 19 3.630 4.027 -0.397 1
1 155 . 17 1 1 A 19 19 GLY C C 19 171.000 171.481 -0.481 1
1 156 . 17 1 1 A 19 19 GLY CA C 19 46.200 45.157 1.043 1
1 157 . 17 1 1 A 19 19 GLY N N 19 111.300 106.960 4.340 1
1 158 . 17 1 1 A 20 20 VAL H H 20 8.070 7.857 0.213 1
1 159 . 17 1 1 A 20 20 VAL HA H 20 4.750 4.612 0.138 1
1 167 . 17 1 1 A 20 20 VAL C C 20 172.300 173.025 -0.725 1
1 168 . 17 1 1 A 20 20 VAL CA C 20 60.200 59.880 0.320 1
1 169 . 17 1 1 A 20 20 VAL CB C 20 36.100 35.666 0.434 1
1 172 . 17 1 1 A 20 20 VAL N N 20 120.700 119.084 1.616 1
1 173 . 17 1 1 A 21 21 TYR H H 21 9.560 8.251 1.309 1
1 174 . 17 1 1 A 21 21 TYR HA H 21 5.230 5.175 0.055 1
1 177 . 17 1 1 A 21 21 TYR C C 21 175.600 174.036 1.564 1
1 178 . 17 1 1 A 21 21 TYR CA C 21 56.800 55.855 0.945 1
1 179 . 17 1 1 A 21 21 TYR CB C 21 39.200 41.810 -2.610 1
1 180 . 17 1 1 A 21 21 TYR N N 21 123.200 125.204 -2.004 1
1 181 . 17 1 1 A 22 22 VAL H H 22 9.400 7.680 1.720 1
1 182 . 17 1 1 A 22 22 VAL HA H 22 4.950 4.555 0.395 1
1 190 . 17 1 1 A 22 22 VAL C C 22 174.000 173.651 0.349 1
1 191 . 17 1 1 A 22 22 VAL CA C 22 57.100 58.765 -1.665 1
1 192 . 17 1 1 A 22 22 VAL CB C 22 33.900 35.852 -1.952 1
1 195 . 17 1 1 A 22 22 VAL N N 22 119.100 119.939 -0.839 1
1 196 . 17 1 1 A 23 23 CYS H H 23 9.020 8.602 0.418 1
1 197 . 17 1 1 A 23 23 CYS HA H 23 4.260 4.561 -0.301 1
1 200 . 17 1 1 A 23 23 CYS C C 23 178.700 176.155 2.545 1
1 201 . 17 1 1 A 23 23 CYS CA C 23 60.600 59.329 1.271 1
1 202 . 17 1 1 A 23 23 CYS CB C 23 31.700 28.099 3.601 1
1 203 . 17 1 1 A 23 23 CYS N N 23 123.800 122.134 1.666 1
1 204 . 17 1 1 A 24 24 ALA H H 24 8.760 8.955 -0.195 1
1 205 . 17 1 1 A 24 24 ALA HA H 24 3.840 4.174 -0.334 1
1 209 . 17 1 1 A 24 24 ALA C C 24 177.500 177.086 0.414 1
1 210 . 17 1 1 A 24 24 ALA CA C 24 55.000 53.623 1.377 1
1 211 . 17 1 1 A 24 24 ALA CB C 24 18.700 18.730 -0.030 1
1 212 . 17 1 1 A 24 24 ALA N N 24 131.900 128.468 3.432 1
1 213 . 17 1 1 A 25 25 LYS H H 25 9.200 7.905 1.295 1
1 214 . 17 1 1 A 25 25 LYS HA H 25 4.380 4.557 -0.177 1
1 222 . 17 1 1 A 25 25 LYS C C 25 178.100 177.838 0.262 1
1 223 . 17 1 1 A 25 25 LYS CA C 25 57.900 57.494 0.406 1
1 224 . 17 1 1 A 25 25 LYS CB C 25 33.500 35.024 -1.524 1
1 228 . 17 1 1 A 25 25 LYS N N 25 120.000 115.480 4.520 1
1 229 . 17 1 1 A 26 26 CYS H H 26 8.730 8.343 0.387 1
1 230 . 17 1 1 A 26 26 CYS HA H 26 5.000 4.186 0.814 1
1 233 . 17 1 1 A 26 26 CYS C C 26 177.000 175.256 1.744 1
1 234 . 17 1 1 A 26 26 CYS CA C 26 59.400 62.647 -3.247 1
1 235 . 17 1 1 A 26 26 CYS CB C 26 32.900 27.954 4.946 1
1 236 . 17 1 1 A 26 26 CYS N N 26 120.900 118.736 2.164 1
1 237 . 17 1 1 A 27 27 SER H H 27 8.170 8.168 0.002 1
1 238 . 17 1 1 A 27 27 SER HA H 27 4.140 4.113 0.027 1
1 241 . 17 1 1 A 27 27 SER C C 27 174.800 173.885 0.915 1
1 242 . 17 1 1 A 27 27 SER CA C 27 60.900 59.417 1.483 1
1 243 . 17 1 1 A 27 27 SER CB C 27 61.600 61.069 0.531 1
1 244 . 17 1 1 A 27 27 SER N N 27 115.800 115.401 0.399 1
1 245 . 17 1 1 A 28 28 TYR H H 28 9.010 7.831 1.179 1
1 246 . 17 1 1 A 28 28 TYR HA H 28 4.420 4.766 -0.346 1
1 249 . 17 1 1 A 28 28 TYR C C 28 176.600 174.886 1.714 1
1 250 . 17 1 1 A 28 28 TYR CA C 28 59.300 56.349 2.951 1
1 251 . 17 1 1 A 28 28 TYR CB C 28 39.600 38.891 0.709 1
1 252 . 17 1 1 A 28 28 TYR N N 28 127.100 122.638 4.462 1
1 253 . 17 1 1 A 29 29 GLU H H 29 7.730 8.627 -0.897 1
1 254 . 17 1 1 A 29 29 GLU HA H 29 3.670 4.512 -0.842 1
1 259 . 17 1 1 A 29 29 GLU C C 29 174.900 176.728 -1.828 1
1 260 . 17 1 1 A 29 29 GLU CA C 29 58.700 57.370 1.330 1
1 261 . 17 1 1 A 29 29 GLU CB C 29 29.800 29.869 -0.069 1
1 263 . 17 1 1 A 29 29 GLU N N 29 124.500 128.118 -3.618 1
1 264 . 17 1 1 A 30 30 LEU H H 30 7.940 8.536 -0.596 1
1 265 . 17 1 1 A 30 30 LEU HA H 30 4.140 5.060 -0.920 1
1 274 . 17 1 1 A 30 30 LEU C C 30 175.400 175.230 0.170 1
1 275 . 17 1 1 A 30 30 LEU CA C 30 56.200 53.463 2.737 1
1 276 . 17 1 1 A 30 30 LEU CB C 30 46.700 44.692 2.008 1
1 277 . 17 1 1 A 30 30 LEU N N 30 121.800 122.066 -0.266 1
1 278 . 17 1 1 A 31 31 PHE H H 31 7.880 8.974 -1.094 1
1 279 . 17 1 1 A 31 31 PHE HA H 31 4.720 5.132 -0.412 1
1 282 . 17 1 1 A 31 31 PHE C C 31 174.600 172.513 2.087 1
1 283 . 17 1 1 A 31 31 PHE CA C 31 56.600 56.347 0.253 1
1 284 . 17 1 1 A 31 31 PHE CB C 31 45.300 40.484 4.816 1
1 285 . 17 1 1 A 31 31 PHE N N 31 113.300 117.444 -4.144 1
1 286 . 17 1 1 A 32 32 SER H H 32 10.030 8.391 1.639 1
1 287 . 17 1 1 A 32 32 SER HA H 32 4.860 4.571 0.289 1
1 290 . 17 1 1 A 32 32 SER CA C 32 57.000 55.908 1.092 1
1 291 . 17 1 1 A 32 32 SER CB C 32 63.700 66.576 -2.876 1
1 292 . 17 1 1 A 32 32 SER N N 32 118.700 114.632 4.068 1
1 293 . 17 1 1 A 33 33 SER H H 33 8.990 8.467 0.523 1
1 294 . 17 1 1 A 33 33 SER HA H 33 4.840 4.284 0.556 1
1 297 . 17 1 1 A 33 33 SER C C 33 177.300 174.873 2.427 1
1 298 . 17 1 1 A 33 33 SER CA C 33 63.700 59.873 3.827 1
1 299 . 17 1 1 A 33 33 SER CB C 33 63.700 63.417 0.283 1
1 300 . 17 1 1 A 33 33 SER N N 33 123.100 117.811 5.289 1
1 301 . 17 1 1 A 34 34 HIS HA H 34 4.710 4.585 0.125 1
1 304 . 17 1 1 A 34 34 HIS C C 34 175.800 176.905 -1.105 1
1 305 . 17 1 1 A 34 34 HIS CA C 34 57.900 56.855 1.045 1
1 306 . 17 1 1 A 34 34 HIS CB C 34 28.600 31.141 -2.541 1
1 307 . 17 1 1 A 35 35 SER H H 35 7.960 7.988 -0.028 1
1 308 . 17 1 1 A 35 35 SER HA H 35 4.820 4.217 0.603 1
1 311 . 17 1 1 A 35 35 SER C C 35 173.200 174.190 -0.990 1
1 312 . 17 1 1 A 35 35 SER CA C 35 58.100 60.778 -2.678 1
1 313 . 17 1 1 A 35 35 SER CB C 35 65.300 63.077 2.223 1
1 314 . 17 1 1 A 35 35 SER N N 35 114.500 113.248 1.252 1
1 315 . 17 1 1 A 36 36 LYS H H 36 7.630 7.735 -0.105 1
1 316 . 17 1 1 A 36 36 LYS HA H 36 4.890 4.795 0.095 1
1 322 . 17 1 1 A 36 36 LYS C C 36 176.100 174.150 1.950 1
1 323 . 17 1 1 A 36 36 LYS CA C 36 55.400 55.027 0.373 1
1 324 . 17 1 1 A 36 36 LYS CB C 36 35.400 35.964 -0.564 1
1 328 . 17 1 1 A 36 36 LYS N N 36 126.900 120.627 6.273 1
1 329 . 17 1 1 A 37 37 TYR H H 37 8.440 8.115 0.325 1
1 330 . 17 1 1 A 37 37 TYR HA H 37 5.100 5.559 -0.459 1
1 333 . 17 1 1 A 37 37 TYR C C 37 172.800 174.094 -1.294 1
1 334 . 17 1 1 A 37 37 TYR CA C 37 55.400 55.176 0.224 1
1 335 . 17 1 1 A 37 37 TYR CB C 37 41.000 41.867 -0.867 1
1 336 . 17 1 1 A 37 37 TYR N N 37 124.200 120.380 3.820 1
1 337 . 17 1 1 A 38 38 ALA H H 38 8.590 8.714 -0.124 1
1 338 . 17 1 1 A 38 38 ALA HA H 38 4.630 5.044 -0.414 1
1 342 . 17 1 1 A 38 38 ALA C C 38 175.900 176.960 -1.060 1
1 343 . 17 1 1 A 38 38 ALA CA C 38 52.500 50.764 1.736 1
1 344 . 17 1 1 A 38 38 ALA CB C 38 18.300 20.394 -2.094 1
1 345 . 17 1 1 A 38 38 ALA N N 38 125.100 123.092 2.008 1
1 346 . 17 1 1 A 39 39 HIS H H 39 8.080 8.724 -0.644 1
1 347 . 17 1 1 A 39 39 HIS HA H 39 4.620 5.031 -0.411 1
1 352 . 17 1 1 A 39 39 HIS C C 39 174.100 173.107 0.993 1
1 353 . 17 1 1 A 39 39 HIS CA C 39 57.000 55.918 1.082 1
1 354 . 17 1 1 A 39 39 HIS CB C 39 34.600 34.204 0.396 1
1 355 . 17 1 1 A 39 39 HIS N N 39 125.600 121.215 4.385 1
1 356 . 17 1 1 A 40 40 SER H H 40 6.860 8.403 -1.543 1
1 357 . 17 1 1 A 40 40 SER HA H 40 4.060 5.027 -0.967 1
1 360 . 17 1 1 A 40 40 SER C C 40 174.900 173.365 1.535 1
1 361 . 17 1 1 A 40 40 SER CA C 40 58.800 57.372 1.428 1
1 362 . 17 1 1 A 40 40 SER CB C 40 62.700 64.108 -1.408 1
1 363 . 17 1 1 A 40 40 SER N N 40 118.700 120.278 -1.578 1
1 364 . 17 1 1 A 41 41 SER H H 41 9.140 8.854 0.286 1
1 365 . 17 1 1 A 41 41 SER HA H 41 4.480 5.036 -0.556 1
1 368 . 17 1 1 A 41 41 SER C C 41 173.600 171.459 2.141 1
1 369 . 17 1 1 A 41 41 SER CA C 41 57.800 56.492 1.308 1
1 370 . 17 1 1 A 41 41 SER CB C 41 63.600 65.421 -1.821 1
1 371 . 17 1 1 A 41 41 SER N N 41 122.500 119.779 2.721 1
1 372 . 17 1 1 A 42 42 PRO HA H 42 4.040 4.213 -0.173 1
1 379 . 17 1 1 A 42 42 PRO C C 42 174.900 176.668 -1.768 1
1 380 . 17 1 1 A 42 42 PRO CA C 42 63.700 62.964 0.736 1
1 381 . 17 1 1 A 42 42 PRO CB C 42 31.500 31.916 -0.416 1
1 384 . 17 1 1 A 43 43 TRP H H 43 6.590 7.930 -1.340 1
1 385 . 17 1 1 A 43 43 TRP HA H 43 4.850 4.118 0.732 1
1 394 . 17 1 1 A 43 43 TRP C C 43 174.100 175.041 -0.941 1
1 395 . 17 1 1 A 43 43 TRP CA C 43 57.300 57.710 -0.410 1
1 396 . 17 1 1 A 43 43 TRP CB C 43 29.500 27.330 2.170 1
1 397 . 17 1 1 A 43 43 TRP N N 43 113.900 117.477 -3.577 1
1 399 . 17 1 1 A 44 44 PRO HA H 44 3.810 4.760 -0.950 1
1 405 . 17 1 1 A 44 44 PRO C C 44 174.800 175.749 -0.949 1
1 406 . 17 1 1 A 44 44 PRO CA C 44 63.200 62.569 0.631 1
1 407 . 17 1 1 A 44 44 PRO CB C 44 32.200 33.072 -0.872 1
1 410 . 17 1 1 A 45 45 ALA H H 45 7.850 8.287 -0.437 1
1 411 . 17 1 1 A 45 45 ALA HA H 45 5.260 5.039 0.221 1
1 415 . 17 1 1 A 45 45 ALA C C 45 174.800 175.875 -1.075 1
1 416 . 17 1 1 A 45 45 ALA CA C 45 50.100 51.219 -1.119 1
1 417 . 17 1 1 A 45 45 ALA CB C 45 20.800 24.226 -3.426 1
1 418 . 17 1 1 A 45 45 ALA N N 45 126.700 120.221 6.479 1
1 419 . 17 1 1 A 46 46 PHE H H 46 8.080 8.887 -0.807 1
1 420 . 17 1 1 A 46 46 PHE HA H 46 5.860 5.128 0.732 1
1 424 . 17 1 1 A 46 46 PHE C C 46 177.800 174.720 3.080 1
1 425 . 17 1 1 A 46 46 PHE CA C 46 54.800 56.296 -1.496 1
1 426 . 17 1 1 A 46 46 PHE CB C 46 44.500 40.722 3.778 1
1 427 . 17 1 1 A 46 46 PHE N N 46 115.600 114.901 0.699 1
1 428 . 17 1 1 A 47 47 THR H H 47 9.190 8.566 0.624 1
1 429 . 17 1 1 A 47 47 THR HA H 47 5.220 4.564 0.656 1
1 434 . 17 1 1 A 47 47 THR C C 47 175.000 173.944 1.056 1
1 435 . 17 1 1 A 47 47 THR CA C 47 63.000 62.243 0.757 1
1 436 . 17 1 1 A 47 47 THR CB C 47 70.500 69.613 0.887 1
1 438 . 17 1 1 A 47 47 THR N N 47 109.900 111.471 -1.571 1
1 439 . 17 1 1 A 48 48 GLU H H 48 7.320 7.739 -0.419 1
1 440 . 17 1 1 A 48 48 GLU HA H 48 4.920 4.558 0.362 1
1 445 . 17 1 1 A 48 48 GLU C C 48 175.400 175.567 -0.167 1
1 446 . 17 1 1 A 48 48 GLU CA C 48 55.200 54.914 0.286 1
1 447 . 17 1 1 A 48 48 GLU CB C 48 31.900 32.142 -0.242 1
1 449 . 17 1 1 A 48 48 GLU N N 48 115.400 118.778 -3.378 1
1 450 . 17 1 1 A 49 49 THR H H 49 8.150 8.536 -0.386 1
1 451 . 17 1 1 A 49 49 THR HA H 49 4.090 5.141 -1.051 1
1 456 . 17 1 1 A 49 49 THR C C 49 175.800 174.218 1.582 1
1 457 . 17 1 1 A 49 49 THR CA C 49 60.000 59.586 0.414 1
1 458 . 17 1 1 A 49 49 THR CB C 49 70.400 71.615 -1.215 1
1 460 . 17 1 1 A 49 49 THR N N 49 111.400 110.679 0.721 1
1 461 . 17 1 1 A 50 50 ILE H H 50 7.720 8.409 -0.689 1
1 462 . 17 1 1 A 50 50 ILE HA H 50 3.630 4.462 -0.832 1
1 472 . 17 1 1 A 50 50 ILE C C 50 174.500 176.101 -1.601 1
1 473 . 17 1 1 A 50 50 ILE CA C 50 64.100 61.301 2.799 1
1 474 . 17 1 1 A 50 50 ILE CB C 50 38.700 39.397 -0.697 1
1 478 . 17 1 1 A 50 50 ILE N N 50 121.700 119.783 1.917 1
1 479 . 17 1 1 A 51 51 HIS H H 51 7.400 7.682 -0.282 1
1 480 . 17 1 1 A 51 51 HIS HA H 51 5.300 4.745 0.555 1
1 484 . 17 1 1 A 51 51 HIS C C 51 175.500 173.360 2.140 1
1 485 . 17 1 1 A 51 51 HIS CA C 51 51.800 55.046 -3.246 1
1 486 . 17 1 1 A 51 51 HIS CB C 51 29.700 28.966 0.734 1
1 487 . 17 1 1 A 51 51 HIS N N 51 115.500 121.496 -5.996 1
1 488 . 17 1 1 A 52 52 PRO HA H 52 4.350 4.551 -0.201 1
1 495 . 17 1 1 A 52 52 PRO C C 52 176.900 175.560 1.340 1
1 496 . 17 1 1 A 52 52 PRO CA C 52 64.800 62.445 2.355 1
1 497 . 17 1 1 A 52 52 PRO CB C 52 31.300 33.379 -2.079 1
1 500 . 17 1 1 A 53 53 ASP H H 53 8.070 8.394 -0.324 1
1 501 . 17 1 1 A 53 53 ASP HA H 53 4.760 4.702 0.058 1
1 504 . 17 1 1 A 53 53 ASP C C 53 176.900 177.044 -0.144 1
1 505 . 17 1 1 A 53 53 ASP CA C 53 52.100 54.027 -1.927 1
1 506 . 17 1 1 A 53 53 ASP CB C 53 39.700 40.571 -0.871 1
1 507 . 17 1 1 A 53 53 ASP N N 53 114.300 119.931 -5.631 1
1 508 . 17 1 1 A 54 54 SER H H 54 7.720 8.025 -0.305 1
1 509 . 17 1 1 A 54 54 SER HA H 54 4.040 4.438 -0.398 1
1 512 . 17 1 1 A 54 54 SER C C 54 173.200 174.394 -1.194 1
1 513 . 17 1 1 A 54 54 SER CA C 54 64.100 60.165 3.935 1
1 514 . 17 1 1 A 54 54 SER CB C 54 64.200 63.565 0.635 1
1 515 . 17 1 1 A 54 54 SER N N 54 116.300 114.836 1.464 1
1 516 . 17 1 1 A 55 55 VAL H H 55 7.360 7.517 -0.157 1
1 517 . 17 1 1 A 55 55 VAL HA H 55 5.280 4.175 1.105 1
1 525 . 17 1 1 A 55 55 VAL C C 55 175.700 175.305 0.395 1
1 526 . 17 1 1 A 55 55 VAL CA C 55 57.300 61.424 -4.124 1
1 527 . 17 1 1 A 55 55 VAL CB C 55 34.800 33.017 1.783 1
1 530 . 17 1 1 A 55 55 VAL N N 55 105.200 119.483 -14.283 1
1 531 . 17 1 1 A 56 56 THR H H 56 8.780 8.469 0.311 1
1 532 . 17 1 1 A 56 56 THR HA H 56 4.530 5.081 -0.551 1
1 537 . 17 1 1 A 56 56 THR C C 56 173.800 172.869 0.931 1
1 538 . 17 1 1 A 56 56 THR CA C 56 60.500 60.240 0.260 1
1 539 . 17 1 1 A 56 56 THR CB C 56 70.400 71.992 -1.592 1
1 541 . 17 1 1 A 56 56 THR N N 56 116.000 116.830 -0.830 1
1 542 . 17 1 1 A 57 57 LYS H H 57 8.610 8.924 -0.314 1
1 543 . 17 1 1 A 57 57 LYS HA H 57 5.490 5.255 0.235 1
1 550 . 17 1 1 A 57 57 LYS C C 57 176.000 174.721 1.279 1
1 551 . 17 1 1 A 57 57 LYS CA C 57 54.600 54.105 0.495 1
1 552 . 17 1 1 A 57 57 LYS CB C 57 36.000 36.973 -0.973 1
1 556 . 17 1 1 A 57 57 LYS N N 57 121.900 124.720 -2.820 1
1 557 . 17 1 1 A 58 58 CYS H H 58 8.610 9.015 -0.405 1
1 558 . 17 1 1 A 58 58 CYS HA H 58 5.100 5.025 0.075 1
1 561 . 17 1 1 A 58 58 CYS CA C 58 55.200 56.557 -1.357 1
1 562 . 17 1 1 A 58 58 CYS CB C 58 29.700 30.762 -1.062 1
1 563 . 17 1 1 A 58 58 CYS N N 58 120.600 117.560 3.040 1
1 564 . 17 1 1 A 59 59 PRO HA H 59 4.590 4.543 0.047 1
1 571 . 17 1 1 A 59 59 PRO C C 59 176.600 176.758 -0.158 1
1 572 . 17 1 1 A 59 59 PRO CA C 59 63.700 62.366 1.334 1
1 573 . 17 1 1 A 59 59 PRO CB C 59 32.100 32.008 0.092 1
1 576 . 17 1 1 A 60 60 GLU H H 60 8.630 8.139 0.491 1
1 577 . 17 1 1 A 60 60 GLU HA H 60 4.450 4.496 -0.046 1
1 582 . 17 1 1 A 60 60 GLU C C 60 176.900 177.194 -0.294 1
1 583 . 17 1 1 A 60 60 GLU CA C 60 55.700 56.404 -0.704 1
1 584 . 17 1 1 A 60 60 GLU CB C 60 30.500 30.353 0.147 1
1 586 . 17 1 1 A 60 60 GLU N N 60 123.900 121.218 2.682 1
1 587 . 17 1 1 A 61 61 LYS H H 61 8.780 8.477 0.303 1
1 588 . 17 1 1 A 61 61 LYS HA H 61 3.930 4.505 -0.575 1
1 596 . 17 1 1 A 61 61 LYS C C 61 177.100 177.670 -0.570 1
1 597 . 17 1 1 A 61 61 LYS CA C 61 58.300 56.872 1.428 1
1 598 . 17 1 1 A 61 61 LYS CB C 61 31.900 33.919 -2.019 1
1 602 . 17 1 1 A 61 61 LYS N N 61 127.000 120.246 6.754 1
1 603 . 17 1 1 A 62 62 ASN H H 62 8.870 8.340 0.530 1
1 604 . 17 1 1 A 62 62 ASN HA H 62 4.520 4.640 -0.120 1
1 609 . 17 1 1 A 62 62 ASN C C 62 174.400 175.460 -1.060 1
1 610 . 17 1 1 A 62 62 ASN CA C 62 54.000 53.476 0.524 1
1 611 . 17 1 1 A 62 62 ASN CB C 62 38.000 37.663 0.337 1
1 612 . 17 1 1 A 62 62 ASN N N 62 117.000 116.569 0.431 1
1 613 . 17 1 1 A 63 63 ARG H H 63 7.430 7.644 -0.214 1
1 614 . 17 1 1 A 63 63 ARG HA H 63 4.810 4.782 0.028 1
1 622 . 17 1 1 A 63 63 ARG C C 63 172.300 174.338 -2.038 1
1 623 . 17 1 1 A 63 63 ARG CA C 63 53.800 53.704 0.096 1
1 624 . 17 1 1 A 63 63 ARG CB C 63 31.300 30.889 0.411 1
1 627 . 17 1 1 A 63 63 ARG N N 63 119.200 119.916 -0.716 1
1 629 . 17 1 1 A 64 64 PRO HA H 64 4.350 4.520 -0.170 1
1 636 . 17 1 1 A 64 64 PRO C C 64 176.900 175.960 0.940 1
1 637 . 17 1 1 A 64 64 PRO CA C 64 64.200 63.013 1.187 1
1 638 . 17 1 1 A 64 64 PRO CB C 64 31.800 29.867 1.933 1
1 641 . 17 1 1 A 65 65 GLU H H 65 9.210 8.671 0.539 1
1 642 . 17 1 1 A 65 65 GLU HA H 65 4.280 4.395 -0.115 1
1 647 . 17 1 1 A 65 65 GLU C C 65 174.300 175.077 -0.777 1
1 648 . 17 1 1 A 65 65 GLU CA C 65 56.600 55.904 0.696 1
1 649 . 17 1 1 A 65 65 GLU CB C 65 28.200 31.352 -3.152 1
1 651 . 17 1 1 A 65 65 GLU N N 65 117.000 119.727 -2.727 1
1 652 . 17 1 1 A 66 66 ALA H H 66 8.040 7.116 0.924 1
1 653 . 17 1 1 A 66 66 ALA HA H 66 5.230 4.330 0.900 1
1 657 . 17 1 1 A 66 66 ALA C C 66 174.900 175.132 -0.232 1
1 658 . 17 1 1 A 66 66 ALA CA C 66 50.300 51.464 -1.164 1
1 659 . 17 1 1 A 66 66 ALA CB C 66 22.200 22.390 -0.190 1
1 660 . 17 1 1 A 66 66 ALA N N 66 124.800 120.448 4.352 1
1 661 . 17 1 1 A 67 67 LEU H H 67 8.710 8.673 0.037 1
1 662 . 17 1 1 A 67 67 LEU HA H 67 4.800 5.055 -0.255 1
1 672 . 17 1 1 A 67 67 LEU C C 67 177.200 174.612 2.588 1
1 673 . 17 1 1 A 67 67 LEU CA C 67 52.800 53.707 -0.907 1
1 674 . 17 1 1 A 67 67 LEU CB C 67 43.200 46.733 -3.533 1
1 678 . 17 1 1 A 67 67 LEU N N 67 120.400 120.334 0.066 1
1 679 . 17 1 1 A 68 68 LYS H H 68 9.180 8.763 0.417 1
1 680 . 17 1 1 A 68 68 LYS HA H 68 4.050 4.685 -0.635 1
1 689 . 17 1 1 A 68 68 LYS C C 68 176.900 175.105 1.795 1
1 690 . 17 1 1 A 68 68 LYS CA C 68 57.100 54.349 2.751 1
1 691 . 17 1 1 A 68 68 LYS CB C 68 32.600 35.293 -2.693 1
1 695 . 17 1 1 A 68 68 LYS N N 68 125.300 121.791 3.509 1
1 696 . 17 1 1 A 69 69 VAL H H 69 8.150 8.462 -0.312 1
1 697 . 17 1 1 A 69 69 VAL HA H 69 5.240 4.993 0.247 1
1 705 . 17 1 1 A 69 69 VAL C C 69 174.900 174.519 0.381 1
1 706 . 17 1 1 A 69 69 VAL CA C 69 59.900 60.759 -0.859 1
1 707 . 17 1 1 A 69 69 VAL CB C 69 34.700 34.807 -0.107 1
1 710 . 17 1 1 A 69 69 VAL N N 69 121.600 124.453 -2.853 1
1 711 . 17 1 1 A 70 70 SER H H 70 8.610 8.796 -0.186 1
1 712 . 17 1 1 A 70 70 SER HA H 70 5.210 5.019 0.191 1
1 715 . 17 1 1 A 70 70 SER C C 70 171.900 172.489 -0.589 1
1 716 . 17 1 1 A 70 70 SER CA C 70 56.600 56.804 -0.204 1
1 717 . 17 1 1 A 70 70 SER CB C 70 65.600 66.152 -0.552 1
1 718 . 17 1 1 A 70 70 SER N N 70 120.600 119.452 1.148 1
1 719 . 17 1 1 A 71 71 CYS H H 71 9.280 8.462 0.818 1
1 720 . 17 1 1 A 71 71 CYS HA H 71 4.130 4.532 -0.402 1
1 723 . 17 1 1 A 71 71 CYS C C 71 178.600 175.236 3.364 1
1 724 . 17 1 1 A 71 71 CYS CA C 71 61.600 58.083 3.517 1
1 725 . 17 1 1 A 71 71 CYS CB C 71 31.300 26.381 4.919 1
1 726 . 17 1 1 A 71 71 CYS N N 71 126.700 121.789 4.911 1
1 727 . 17 1 1 A 72 72 GLY H H 72 9.140 8.312 0.828 1
1 728 . 17 1 1 A 72 72 GLY HA2 H 72 3.760 3.875 -0.115 1
1 729 . 17 1 1 A 72 72 GLY HA3 H 72 3.670 3.879 -0.209 1
1 730 . 17 1 1 A 72 72 GLY C C 72 172.500 175.815 -3.315 1
1 731 . 17 1 1 A 72 72 GLY CA C 72 46.200 47.302 -1.102 1
1 732 . 17 1 1 A 72 72 GLY N N 72 120.100 113.802 6.298 1
1 733 . 17 1 1 A 73 73 LYS H H 73 9.090 8.088 1.002 1
1 734 . 17 1 1 A 73 73 LYS HA H 73 4.210 4.050 0.160 1
1 742 . 17 1 1 A 73 73 LYS C C 73 177.600 178.151 -0.551 1
1 743 . 17 1 1 A 73 73 LYS CA C 73 56.600 59.161 -2.561 1
1 744 . 17 1 1 A 73 73 LYS CB C 73 32.700 32.303 0.397 1
1 748 . 17 1 1 A 73 73 LYS N N 73 124.400 121.086 3.314 1
1 749 . 17 1 1 A 74 74 CYS H H 74 8.590 7.809 0.781 1
1 750 . 17 1 1 A 74 74 CYS HA H 74 4.910 4.660 0.250 1
1 753 . 17 1 1 A 74 74 CYS C C 74 177.400 175.536 1.864 1
1 754 . 17 1 1 A 74 74 CYS CA C 74 58.900 59.168 -0.268 1
1 755 . 17 1 1 A 74 74 CYS CB C 74 33.300 30.202 3.098 1
1 756 . 17 1 1 A 74 74 CYS N N 74 119.700 114.625 5.075 1
1 757 . 17 1 1 A 75 75 GLY H H 75 7.760 9.305 -1.545 1
1 758 . 17 1 1 A 75 75 GLY HA2 H 75 4.210 3.978 0.232 1
1 759 . 17 1 1 A 75 75 GLY HA3 H 75 3.750 3.980 -0.230 1
1 760 . 17 1 1 A 75 75 GLY C C 75 174.000 173.512 0.488 1
1 761 . 17 1 1 A 75 75 GLY CA C 75 46.100 46.471 -0.371 1
1 762 . 17 1 1 A 75 75 GLY N N 75 113.000 110.478 2.522 1
1 763 . 17 1 1 A 76 76 ASN H H 76 9.050 7.856 1.194 1
1 764 . 17 1 1 A 76 76 ASN HA H 76 4.500 5.086 -0.586 1
1 769 . 17 1 1 A 76 76 ASN C C 76 178.700 173.600 5.100 1
1 770 . 17 1 1 A 76 76 ASN CA C 76 54.700 51.567 3.133 1
1 771 . 17 1 1 A 76 76 ASN CB C 76 39.800 40.575 -0.775 1
1 772 . 17 1 1 A 76 76 ASN N N 76 123.700 117.591 6.109 1
1 774 . 17 1 1 A 77 77 GLY H H 77 8.660 8.392 0.268 1
1 775 . 17 1 1 A 77 77 GLY HA2 H 77 3.970 4.186 -0.216 1
1 776 . 17 1 1 A 77 77 GLY HA3 H 77 3.710 4.214 -0.504 1
1 777 . 17 1 1 A 77 77 GLY C C 77 173.800 174.526 -0.726 1
1 778 . 17 1 1 A 77 77 GLY CA C 77 47.300 45.510 1.790 1
1 779 . 17 1 1 A 77 77 GLY N N 77 115.600 109.068 6.532 1
1 780 . 17 1 1 A 78 78 LEU H H 78 8.600 8.319 0.281 1
1 781 . 17 1 1 A 78 78 LEU HA H 78 4.810 4.419 0.391 1
1 791 . 17 1 1 A 78 78 LEU C C 78 173.800 176.185 -2.385 1
1 792 . 17 1 1 A 78 78 LEU CA C 78 54.900 56.366 -1.466 1
1 793 . 17 1 1 A 78 78 LEU CB C 78 45.000 42.551 2.449 1
1 797 . 17 1 1 A 78 78 LEU N N 78 122.700 122.229 0.471 1
1 798 . 17 1 1 A 79 79 GLY H H 79 7.100 7.458 -0.358 1
1 799 . 17 1 1 A 79 79 GLY HA2 H 79 4.650 4.192 0.458 1
1 800 . 17 1 1 A 79 79 GLY HA3 H 79 3.020 4.302 -1.282 1
1 801 . 17 1 1 A 79 79 GLY C C 79 173.000 172.107 0.893 1
1 802 . 17 1 1 A 79 79 GLY CA C 79 44.900 45.173 -0.273 1
1 803 . 17 1 1 A 79 79 GLY N N 79 102.400 106.351 -3.951 1
1 804 . 17 1 1 A 80 80 HIS H H 80 8.580 9.045 -0.465 1
1 805 . 17 1 1 A 80 80 HIS HA H 80 5.470 5.529 -0.059 1
1 810 . 17 1 1 A 80 80 HIS C C 80 172.300 174.113 -1.813 1
1 811 . 17 1 1 A 80 80 HIS CA C 80 55.000 54.903 0.097 1
1 812 . 17 1 1 A 80 80 HIS CB C 80 34.500 34.478 0.022 1
1 813 . 17 1 1 A 80 80 HIS N N 80 122.400 119.427 2.973 1
1 814 . 17 1 1 A 81 81 GLU H H 81 9.260 9.452 -0.192 1
1 815 . 17 1 1 A 81 81 GLU HA H 81 4.100 4.965 -0.865 1
1 820 . 17 1 1 A 81 81 GLU C C 81 174.300 175.101 -0.801 1
1 821 . 17 1 1 A 81 81 GLU CA C 81 54.700 55.366 -0.666 1
1 822 . 17 1 1 A 81 81 GLU CB C 81 31.600 33.504 -1.904 1
1 824 . 17 1 1 A 81 81 GLU N N 81 123.700 120.995 2.705 1
1 825 . 17 1 1 A 82 82 PHE H H 82 9.150 8.505 0.645 1
1 826 . 17 1 1 A 82 82 PHE HA H 82 5.080 4.645 0.435 1
1 830 . 17 1 1 A 82 82 PHE C C 82 174.300 174.098 0.202 1
1 831 . 17 1 1 A 82 82 PHE CA C 82 56.700 56.445 0.255 1
1 832 . 17 1 1 A 82 82 PHE CB C 82 38.800 38.451 0.349 1
1 833 . 17 1 1 A 82 82 PHE N N 82 126.900 128.951 -2.051 1
1 834 . 17 1 1 A 83 83 LEU H H 83 8.280 8.305 -0.025 1
1 835 . 17 1 1 A 83 83 LEU HA H 83 4.100 4.565 -0.465 1
1 845 . 17 1 1 A 83 83 LEU C C 83 176.200 175.522 0.678 1
1 846 . 17 1 1 A 83 83 LEU CA C 83 55.500 53.051 2.449 1
1 847 . 17 1 1 A 83 83 LEU CB C 83 42.000 45.216 -3.216 1
1 849 . 17 1 1 A 83 83 LEU N N 83 126.900 127.523 -0.623 1
1 850 . 17 1 1 A 84 84 ASN H H 84 9.260 8.709 0.551 1
1 851 . 17 1 1 A 84 84 ASN HA H 84 4.290 4.286 0.004 1
1 856 . 17 1 1 A 84 84 ASN C C 84 174.400 174.251 0.149 1
1 857 . 17 1 1 A 84 84 ASN CA C 84 54.800 54.820 -0.020 1
1 858 . 17 1 1 A 84 84 ASN CB C 84 37.900 36.852 1.048 1
1 859 . 17 1 1 A 84 84 ASN N N 84 116.900 116.253 0.647 1
1 861 . 17 1 1 A 85 85 ASP H H 85 7.140 7.925 -0.785 1
1 862 . 17 1 1 A 85 85 ASP HA H 85 5.200 4.736 0.464 1
1 865 . 17 1 1 A 85 85 ASP C C 85 176.000 176.410 -0.410 1
1 866 . 17 1 1 A 85 85 ASP CA C 85 53.800 53.816 -0.016 1
1 867 . 17 1 1 A 85 85 ASP CB C 85 45.500 42.324 3.176 1
1 868 . 17 1 1 A 85 85 ASP N N 85 117.200 118.252 -1.052 1
1 869 . 17 1 1 A 86 86 GLY H H 86 8.230 7.642 0.588 1
1 870 . 17 1 1 A 86 86 GLY HA2 H 86 4.140 4.055 0.085 1
1 871 . 17 1 1 A 86 86 GLY HA3 H 86 3.280 4.070 -0.790 1
1 872 . 17 1 1 A 86 86 GLY C C 86 171.700 174.215 -2.515 1
1 873 . 17 1 1 A 86 86 GLY CA C 86 44.600 45.493 -0.893 1
1 874 . 17 1 1 A 86 86 GLY N N 86 107.600 106.454 1.146 1
1 875 . 17 1 1 A 87 87 PRO HA H 87 4.190 4.381 -0.191 1
1 882 . 17 1 1 A 87 87 PRO C C 87 177.000 178.683 -1.683 1
1 883 . 17 1 1 A 87 87 PRO CA C 87 65.200 64.515 0.685 1
1 884 . 17 1 1 A 87 87 PRO CB C 87 31.700 31.938 -0.238 1
1 887 . 17 1 1 A 88 88 LYS H H 88 7.310 8.356 -1.046 1
1 888 . 17 1 1 A 88 88 LYS HA H 88 4.480 3.983 0.497 1
1 897 . 17 1 1 A 88 88 LYS C C 88 175.700 177.828 -2.128 1
1 898 . 17 1 1 A 88 88 LYS CA C 88 53.700 59.662 -5.962 1
1 899 . 17 1 1 A 88 88 LYS CB C 88 34.900 32.110 2.790 1
1 903 . 17 1 1 A 88 88 LYS N N 88 116.200 118.142 -1.942 1
1 904 . 17 1 1 A 89 89 ARG H H 89 8.320 7.590 0.730 1
1 905 . 17 1 1 A 89 89 ARG HA H 89 4.010 4.276 -0.266 1
1 912 . 17 1 1 A 89 89 ARG C C 89 177.500 177.987 -0.487 1
1 913 . 17 1 1 A 89 89 ARG CA C 89 57.900 56.721 1.179 1
1 914 . 17 1 1 A 89 89 ARG CB C 89 32.100 31.316 0.784 1
1 917 . 17 1 1 A 89 89 ARG N N 89 122.200 118.104 4.096 1
1 919 . 17 1 1 A 90 90 GLY H H 90 8.950 8.645 0.305 1
1 920 . 17 1 1 A 90 90 GLY HA2 H 90 4.240 3.865 0.375 1
1 921 . 17 1 1 A 90 90 GLY HA3 H 90 3.850 3.870 -0.020 1
1 922 . 17 1 1 A 90 90 GLY C C 90 175.000 174.353 0.647 1
1 923 . 17 1 1 A 90 90 GLY CA C 90 45.100 45.829 -0.729 1
1 924 . 17 1 1 A 90 90 GLY N N 90 115.100 110.081 5.019 1
1 925 . 17 1 1 A 91 91 GLN H H 91 8.120 7.767 0.353 1
1 926 . 17 1 1 A 91 91 GLN HA H 91 4.580 4.305 0.275 1
1 933 . 17 1 1 A 91 91 GLN C C 91 177.000 175.312 1.688 1
1 934 . 17 1 1 A 91 91 GLN CA C 91 55.900 57.012 -1.112 1
1 935 . 17 1 1 A 91 91 GLN CB C 91 31.000 29.308 1.692 1
1 937 . 17 1 1 A 91 91 GLN N N 91 120.900 120.411 0.489 1
1 938 . 17 1 1 A 92 92 SER H H 92 9.210 8.871 0.339 1
1 939 . 17 1 1 A 92 92 SER HA H 92 4.820 4.983 -0.163 1
1 942 . 17 1 1 A 92 92 SER C C 92 171.600 172.440 -0.840 1
1 943 . 17 1 1 A 92 92 SER CA C 92 57.700 57.781 -0.081 1
1 944 . 17 1 1 A 92 92 SER CB C 92 65.200 66.006 -0.806 1
1 945 . 17 1 1 A 92 92 SER N N 92 120.900 116.656 4.244 1
1 946 . 17 1 1 A 93 93 ARG H H 93 7.820 8.490 -0.670 1
1 947 . 17 1 1 A 93 93 ARG HA H 93 4.950 4.985 -0.035 1
1 952 . 17 1 1 A 93 93 ARG C C 93 176.400 174.365 2.035 1
1 953 . 17 1 1 A 93 93 ARG CA C 93 55.200 54.355 0.845 1
1 954 . 17 1 1 A 93 93 ARG CB C 93 34.600 33.752 0.848 1
1 957 . 17 1 1 A 93 93 ARG N N 93 117.800 123.924 -6.124 1
1 958 . 17 1 1 A 94 94 PHE H H 94 9.860 8.789 1.071 1
1 959 . 17 1 1 A 94 94 PHE HA H 94 4.780 5.416 -0.636 1
1 962 . 17 1 1 A 94 94 PHE C C 94 176.400 174.483 1.917 1
1 963 . 17 1 1 A 94 94 PHE CA C 94 58.300 56.519 1.781 1
1 964 . 17 1 1 A 94 94 PHE CB C 94 38.500 43.256 -4.756 1
1 965 . 17 1 1 A 94 94 PHE N N 94 127.100 121.886 5.214 1
1 966 . 17 1 1 A 95 95 CYS H H 95 9.190 8.894 0.296 1
1 967 . 17 1 1 A 95 95 CYS HA H 95 4.810 5.641 -0.831 1
1 970 . 17 1 1 A 95 95 CYS CA C 95 57.300 57.462 -0.162 1
1 971 . 17 1 1 A 95 95 CYS CB C 95 28.700 31.349 -2.649 1
1 972 . 17 1 1 A 95 95 CYS N N 95 128.200 120.131 8.069 1
1 973 . 17 1 1 A 96 96 ILE H H 96 7.510 8.840 -1.330 1
1 974 . 17 1 1 A 96 96 ILE HA H 96 4.620 4.794 -0.174 1
1 983 . 17 1 1 A 96 96 ILE C C 96 173.700 175.378 -1.678 1
1 984 . 17 1 1 A 96 96 ILE CA C 96 55.800 59.737 -3.937 1
1 985 . 17 1 1 A 96 96 ILE CB C 96 39.900 42.057 -2.157 1
1 989 . 17 1 1 A 96 96 ILE N N 96 130.700 122.483 8.217 1
1 990 . 17 1 1 A 97 97 PHE H H 97 8.040 8.788 -0.748 1
1 991 . 17 1 1 A 97 97 PHE HA H 97 4.920 4.931 -0.011 1
1 994 . 17 1 1 A 97 97 PHE C C 97 178.800 176.967 1.833 1
1 995 . 17 1 1 A 97 97 PHE CA C 97 57.500 57.944 -0.444 1
1 996 . 17 1 1 A 97 97 PHE CB C 97 38.400 39.859 -1.459 1
1 997 . 17 1 1 A 97 97 PHE N N 97 122.400 124.662 -2.262 1
1 998 . 17 1 1 A 98 98 SER HA H 98 4.380 4.346 0.034 1
1 1001 . 17 1 1 A 98 98 SER C C 98 176.400 176.517 -0.117 1
1 1002 . 17 1 1 A 98 98 SER CA C 98 64.900 60.210 4.690 1
1 1003 . 17 1 1 A 98 98 SER CB C 98 63.600 63.888 -0.288 1
1 1004 . 17 1 1 A 99 99 SER H H 99 9.360 8.092 1.268 1
1 1005 . 17 1 1 A 99 99 SER HA H 99 4.300 4.411 -0.111 1
1 1008 . 17 1 1 A 99 99 SER C C 99 175.800 175.590 0.210 1
1 1009 . 17 1 1 A 99 99 SER CA C 99 60.200 59.115 1.085 1
1 1010 . 17 1 1 A 99 99 SER CB C 99 62.700 62.743 -0.043 1
1 1011 . 17 1 1 A 99 99 SER N N 99 114.100 116.963 -2.863 1
1 1012 . 17 1 1 A 100 100 SER H H 100 8.150 8.045 0.105 1
1 1013 . 17 1 1 A 100 100 SER HA H 100 4.630 4.370 0.260 1
1 1016 . 17 1 1 A 100 100 SER C C 100 173.500 174.128 -0.628 1
1 1017 . 17 1 1 A 100 100 SER CA C 100 60.400 60.810 -0.410 1
1 1018 . 17 1 1 A 100 100 SER CB C 100 63.600 63.805 -0.205 1
1 1019 . 17 1 1 A 100 100 SER N N 100 118.700 114.955 3.745 1
1 1020 . 17 1 1 A 101 101 LEU H H 101 8.100 7.822 0.278 1
1 1021 . 17 1 1 A 101 101 LEU HA H 101 5.570 4.745 0.825 1
1 1031 . 17 1 1 A 101 101 LEU C C 101 176.000 174.358 1.642 1
1 1032 . 17 1 1 A 101 101 LEU CA C 101 53.400 53.583 -0.183 1
1 1033 . 17 1 1 A 101 101 LEU CB C 101 46.700 43.841 2.859 1
1 1036 . 17 1 1 A 101 101 LEU N N 101 122.000 117.140 4.860 1
1 1037 . 17 1 1 A 102 102 LYS H H 102 8.950 7.860 1.090 1
1 1038 . 17 1 1 A 102 102 LYS HA H 102 4.710 4.975 -0.265 1
1 1045 . 17 1 1 A 102 102 LYS C C 102 174.400 174.537 -0.137 1
1 1046 . 17 1 1 A 102 102 LYS CA C 102 55.400 54.250 1.150 1
1 1047 . 17 1 1 A 102 102 LYS CB C 102 36.500 36.722 -0.222 1
1 1051 . 17 1 1 A 102 102 LYS N N 102 119.500 117.792 1.708 1
1 1052 . 17 1 1 A 103 103 PHE H H 103 9.010 8.849 0.161 1
1 1053 . 17 1 1 A 103 103 PHE HA H 103 4.750 5.186 -0.436 1
1 1056 . 17 1 1 A 103 103 PHE C C 103 173.900 173.431 0.469 1
1 1057 . 17 1 1 A 103 103 PHE CA C 103 57.100 55.509 1.591 1
1 1058 . 17 1 1 A 103 103 PHE CB C 103 41.300 41.932 -0.632 1
1 1059 . 17 1 1 A 103 103 PHE N N 103 124.500 123.194 1.306 1
1 1060 . 17 1 1 A 104 104 VAL H H 104 8.550 8.646 -0.096 1
1 1061 . 17 1 1 A 104 104 VAL HA H 104 4.140 4.633 -0.493 1
1 1069 . 17 1 1 A 104 104 VAL C C 104 172.800 173.628 -0.828 1
1 1070 . 17 1 1 A 104 104 VAL CA C 104 58.800 58.576 0.224 1
1 1071 . 17 1 1 A 104 104 VAL CB C 104 32.300 32.919 -0.619 1
1 1074 . 17 1 1 A 104 104 VAL N N 104 132.000 128.003 3.997 1
1 1075 . 17 1 1 A 105 105 PRO HA H 105 4.110 4.330 -0.220 1
1 1082 . 17 1 1 A 105 105 PRO C C 105 176.400 176.961 -0.561 1
1 1083 . 17 1 1 A 105 105 PRO CA C 105 62.400 62.404 -0.004 1
1 1084 . 17 1 1 A 105 105 PRO CB C 105 32.400 31.922 0.478 1
1 1087 . 17 1 1 A 106 106 LYS H H 106 7.900 8.212 -0.312 1
1 1088 . 17 1 1 A 106 106 LYS HA H 106 4.170 4.489 -0.319 1
1 1096 . 17 1 1 A 106 106 LYS C C 106 176.900 175.475 1.425 1
1 1097 . 17 1 1 A 106 106 LYS CA C 106 56.700 56.110 0.590 1
1 1098 . 17 1 1 A 106 106 LYS CB C 106 33.500 33.875 -0.375 1
1 1102 . 17 1 1 A 106 106 LYS N N 106 123.200 121.620 1.580 1
1 1103 . 17 1 1 A 107 107 GLY H H 107 8.740 8.291 0.449 1
1 1104 . 17 1 1 A 107 107 GLY HA2 H 107 3.930 4.211 -0.281 1
1 1105 . 17 1 1 A 107 107 GLY HA3 H 107 3.960 4.212 -0.252 1
1 1106 . 17 1 1 A 107 107 GLY C C 107 174.000 174.696 -0.696 1
1 1107 . 17 1 1 A 107 107 GLY CA C 107 45.000 45.644 -0.644 1
1 1108 . 17 1 1 A 107 107 GLY N N 107 113.500 108.654 4.846 1
1 1109 . 17 1 1 A 108 108 LYS H H 108 8.240 8.507 -0.267 1
1 1110 . 17 1 1 A 108 108 LYS HA H 108 4.290 4.310 -0.020 1
1 1118 . 17 1 1 A 108 108 LYS C C 108 176.700 178.554 -1.854 1
1 1119 . 17 1 1 A 108 108 LYS CA C 108 56.000 58.181 -2.181 1
1 1120 . 17 1 1 A 108 108 LYS CB C 108 32.700 33.115 -0.415 1
1 1124 . 17 1 1 A 108 108 LYS N N 108 121.500 122.427 -0.927 1
1 1125 . 17 1 1 A 109 109 GLU H H 109 8.650 8.137 0.513 1
1 1126 . 17 1 1 A 109 109 GLU HA H 109 4.180 4.096 0.084 1
1 1131 . 17 1 1 A 109 109 GLU C C 109 176.500 176.288 0.212 1
1 1132 . 17 1 1 A 109 109 GLU CA C 109 56.600 59.275 -2.675 1
1 1133 . 17 1 1 A 109 109 GLU CB C 109 29.900 29.381 0.519 1
1 1135 . 17 1 1 A 109 109 GLU N N 109 122.800 118.794 4.006 1
1 1136 . 17 1 1 A 110 110 ALA H H 110 8.400 7.951 0.449 1
1 1137 . 17 1 1 A 110 110 ALA HA H 110 4.190 3.899 0.291 1
1 1141 . 17 1 1 A 110 110 ALA CA C 110 52.500 53.256 -0.756 1
1 1142 . 17 1 1 A 110 110 ALA CB C 110 19.000 17.307 1.693 1
1 1143 . 17 1 1 A 110 110 ALA N N 110 126.100 120.693 5.407 1
1 1144 . 17 1 1 A 111 111 ALA H H 111 8.240 8.253 -0.013 1
1 1145 . 17 1 1 A 111 111 ALA HA H 111 4.220 4.067 0.153 1
1 1149 . 17 1 1 A 111 111 ALA C C 111 177.800 176.827 0.973 1
1 1150 . 17 1 1 A 111 111 ALA CA C 111 52.600 53.938 -1.338 1
1 1151 . 17 1 1 A 111 111 ALA CB C 111 19.000 18.261 0.739 1
1 1152 . 17 1 1 A 111 111 ALA N N 111 123.800 111.481 12.319 1
1 1153 . 17 1 1 A 112 112 ALA H H 112 8.220 8.746 -0.526 1
1 1154 . 17 1 1 A 112 112 ALA HA H 112 4.250 4.087 0.163 1
1 1158 . 17 1 1 A 112 112 ALA C C 112 178.100 176.697 1.403 1
1 1159 . 17 1 1 A 112 112 ALA CA C 112 52.600 54.208 -1.608 1
1 1160 . 17 1 1 A 112 112 ALA CB C 112 19.100 18.177 0.923 1
1 1161 . 17 1 1 A 112 112 ALA N N 112 123.600 120.853 2.747 1
1 1162 . 17 1 1 A 113 113 SER H H 113 8.200 8.636 -0.436 1
1 1163 . 17 1 1 A 113 113 SER HA H 113 4.360 4.855 -0.495 1
1 1166 . 17 1 1 A 113 113 SER C C 113 174.800 174.236 0.564 1
1 1167 . 17 1 1 A 113 113 SER CA C 113 58.300 56.880 1.420 1
1 1168 . 17 1 1 A 113 113 SER CB C 113 63.500 62.972 0.528 1
1 1169 . 17 1 1 A 113 113 SER N N 113 115.400 113.352 2.048 1
1 1170 . 17 1 1 A 114 114 GLN H H 114 8.320 8.511 -0.191 1
1 1171 . 17 1 1 A 114 114 GLN HA H 114 4.290 4.727 -0.437 1
1 1178 . 17 1 1 A 114 114 GLN C C 114 176.500 175.446 1.054 1
1 1179 . 17 1 1 A 114 114 GLN CA C 114 55.900 55.247 0.653 1
1 1180 . 17 1 1 A 114 114 GLN CB C 114 29.300 30.913 -1.613 1
1 1182 . 17 1 1 A 114 114 GLN N N 114 122.500 121.814 0.686 1
1 1183 . 17 1 1 A 115 115 GLY H H 115 8.370 8.621 -0.251 1
1 1184 . 17 1 1 A 115 115 GLY HA2 H 115 3.850 4.208 -0.358 1
1 1185 . 17 1 1 A 115 115 GLY HA3 H 115 3.850 4.227 -0.377 1
1 1186 . 17 1 1 A 115 115 GLY C C 115 173.900 171.858 2.042 1
1 1187 . 17 1 1 A 115 115 GLY CA C 115 45.400 45.035 0.365 1
1 1188 . 17 1 1 A 115 115 GLY N N 115 110.000 108.700 1.300 1
1 1189 . 17 1 1 A 116 116 HIS H H 116 8.290 8.562 -0.272 1
1 1190 . 17 1 1 A 116 116 HIS HA H 116 4.620 5.057 -0.437 1
1 1195 . 17 1 1 A 116 116 HIS C C 116 174.600 172.164 2.436 1
1 1196 . 17 1 1 A 116 116 HIS CA C 116 55.500 55.084 0.416 1
1 1197 . 17 1 1 A 116 116 HIS CB C 116 29.100 31.970 -2.870 1
1 1198 . 17 1 1 A 116 116 HIS N N 116 119.100 115.737 3.363 1
1 1199 . 17 1 1 A 117 117 LEU H H 117 8.220 8.718 -0.498 1
1 1200 . 17 1 1 A 117 117 LEU HA H 117 4.240 4.600 -0.360 1
1 1210 . 17 1 1 A 117 117 LEU C C 117 174.600 175.975 -1.375 1
1 1211 . 17 1 1 A 117 117 LEU CA C 117 55.100 53.972 1.128 1
1 1212 . 17 1 1 A 117 117 LEU CB C 117 42.300 43.615 -1.315 1
1 1216 . 17 1 1 A 117 117 LEU N N 117 124.100 123.354 0.746 1
1 1217 . 17 1 1 A 118 118 GLU H H 118 8.350 8.848 -0.498 1
1 1218 . 17 1 1 A 118 118 GLU HA H 118 4.160 5.020 -0.860 1
1 1223 . 17 1 1 A 118 118 GLU C C 118 176.000 174.426 1.574 1
1 1224 . 17 1 1 A 118 118 GLU CA C 118 56.300 54.850 1.450 1
1 1225 . 17 1 1 A 118 118 GLU CB C 118 30.300 33.505 -3.205 1
1 1227 . 17 1 1 A 118 118 GLU N N 118 122.300 118.081 4.219 1
1 1228 . 17 1 1 A 119 119 HIS H H 119 8.410 8.452 -0.042 1
1 1229 . 17 1 1 A 119 119 HIS HA H 119 4.570 4.967 -0.397 1
1 1232 . 17 1 1 A 119 119 HIS C C 119 174.500 172.931 1.569 1
1 1233 . 17 1 1 A 119 119 HIS CA C 119 55.400 54.628 0.772 1
1 1234 . 17 1 1 A 119 119 HIS CB C 119 29.400 31.514 -2.114 1
1 1235 . 17 1 1 A 119 119 HIS N N 119 120.500 115.465 5.035 1
1 1236 . 17 1 1 A 120 120 HIS H H 120 8.530 8.415 0.115 1
1 1237 . 17 1 1 A 120 120 HIS HA H 120 4.640 4.605 0.035 1
1 1240 . 17 1 1 A 120 120 HIS C C 120 174.400 174.328 0.072 1
1 1241 . 17 1 1 A 120 120 HIS CA C 120 57.900 56.884 1.016 1
1 1242 . 17 1 1 A 120 120 HIS CB C 120 29.400 30.831 -1.431 1
1 1 . 18 1 1 A 3 3 PHE HA H 3 4.650 5.015 -0.365 1
1 4 . 18 1 1 A 3 3 PHE C C 3 174.500 174.688 -0.188 1
1 5 . 18 1 1 A 3 3 PHE CA C 3 57.800 56.822 0.978 1
1 6 . 18 1 1 A 3 3 PHE CB C 3 39.600 42.362 -2.762 1
1 7 . 18 1 1 A 4 4 CYS H H 4 8.270 8.051 0.219 1
1 8 . 18 1 1 A 4 4 CYS HA H 4 4.380 3.985 0.395 1
1 11 . 18 1 1 A 4 4 CYS C C 4 173.800 174.913 -1.113 1
1 12 . 18 1 1 A 4 4 CYS CA C 4 58.100 59.864 -1.764 1
1 13 . 18 1 1 A 4 4 CYS CB C 4 28.100 26.550 1.550 1
1 14 . 18 1 1 A 4 4 CYS N N 4 122.600 118.866 3.734 1
1 15 . 18 1 1 A 5 5 SER H H 5 8.250 8.362 -0.112 1
1 16 . 18 1 1 A 5 5 SER HA H 5 4.270 4.839 -0.569 1
1 19 . 18 1 1 A 5 5 SER C C 5 173.700 174.307 -0.607 1
1 20 . 18 1 1 A 5 5 SER CA C 5 58.300 57.646 0.654 1
1 21 . 18 1 1 A 5 5 SER CB C 5 63.700 63.455 0.245 1
1 22 . 18 1 1 A 5 5 SER N N 5 119.600 115.797 3.803 1
1 23 . 18 1 1 A 6 6 PHE H H 6 8.010 8.168 -0.158 1
1 24 . 18 1 1 A 6 6 PHE HA H 6 4.560 4.476 0.084 1
1 28 . 18 1 1 A 6 6 PHE C C 6 173.700 173.506 0.194 1
1 29 . 18 1 1 A 6 6 PHE CA C 6 57.600 59.162 -1.562 1
1 30 . 18 1 1 A 6 6 PHE CB C 6 39.700 38.641 1.059 1
1 31 . 18 1 1 A 6 6 PHE N N 6 122.500 118.904 3.596 1
1 32 . 18 1 1 A 7 7 PHE H H 7 8.230 8.650 -0.420 1
1 33 . 18 1 1 A 7 7 PHE HA H 7 4.530 4.931 -0.401 1
1 36 . 18 1 1 A 7 7 PHE C C 7 175.800 175.733 0.067 1
1 37 . 18 1 1 A 7 7 PHE CA C 7 57.600 56.585 1.015 1
1 38 . 18 1 1 A 7 7 PHE CB C 7 39.700 42.002 -2.302 1
1 39 . 18 1 1 A 7 7 PHE N N 7 123.000 118.843 4.157 1
1 40 . 18 1 1 A 8 8 GLY H H 8 7.870 8.838 -0.968 1
1 41 . 18 1 1 A 8 8 GLY HA2 H 8 3.800 4.062 -0.262 1
1 42 . 18 1 1 A 8 8 GLY HA3 H 8 3.750 4.068 -0.318 1
1 43 . 18 1 1 A 8 8 GLY C C 8 174.300 175.358 -1.058 1
1 44 . 18 1 1 A 8 8 GLY CA C 8 45.300 46.407 -1.107 1
1 45 . 18 1 1 A 8 8 GLY N N 8 111.200 111.619 -0.419 1
1 46 . 18 1 1 A 9 9 GLY H H 9 7.930 8.652 -0.722 1
1 47 . 18 1 1 A 9 9 GLY HA2 H 9 3.920 4.053 -0.133 1
1 48 . 18 1 1 A 9 9 GLY HA3 H 9 3.850 4.093 -0.243 1
1 49 . 18 1 1 A 9 9 GLY C C 9 175.200 173.931 1.269 1
1 50 . 18 1 1 A 9 9 GLY CA C 9 45.100 44.876 0.224 1
1 51 . 18 1 1 A 9 9 GLY N N 9 108.400 105.749 2.651 1
1 52 . 18 1 1 A 10 10 GLU H H 10 8.400 8.619 -0.219 1
1 53 . 18 1 1 A 10 10 GLU HA H 10 4.360 4.527 -0.167 1
1 58 . 18 1 1 A 10 10 GLU C C 10 178.400 175.924 2.476 1
1 59 . 18 1 1 A 10 10 GLU CA C 10 54.700 54.656 0.044 1
1 60 . 18 1 1 A 10 10 GLU CB C 10 36.700 31.884 4.816 1
1 62 . 18 1 1 A 10 10 GLU N N 10 122.600 123.440 -0.840 1
1 63 . 18 1 1 A 11 11 VAL H H 11 7.940 8.307 -0.367 1
1 64 . 18 1 1 A 11 11 VAL HA H 11 3.680 4.215 -0.535 1
1 72 . 18 1 1 A 11 11 VAL C C 11 176.600 176.351 0.249 1
1 73 . 18 1 1 A 11 11 VAL CA C 11 63.800 61.569 2.231 1
1 74 . 18 1 1 A 11 11 VAL CB C 11 31.200 34.400 -3.200 1
1 77 . 18 1 1 A 11 11 VAL N N 11 120.300 121.118 -0.818 1
1 78 . 18 1 1 A 12 12 PHE H H 12 7.730 7.093 0.637 1
1 79 . 18 1 1 A 12 12 PHE HA H 12 5.200 4.626 0.574 1
1 83 . 18 1 1 A 12 12 PHE C C 12 177.100 176.115 0.985 1
1 84 . 18 1 1 A 12 12 PHE CA C 12 55.700 56.599 -0.899 1
1 85 . 18 1 1 A 12 12 PHE CB C 12 38.200 38.908 -0.708 1
1 86 . 18 1 1 A 12 12 PHE N N 12 113.700 115.598 -1.898 1
1 87 . 18 1 1 A 13 13 GLN H H 13 8.080 7.931 0.149 1
1 88 . 18 1 1 A 13 13 GLN HA H 13 3.270 3.958 -0.688 1
1 95 . 18 1 1 A 13 13 GLN C C 13 175.400 177.861 -2.461 1
1 96 . 18 1 1 A 13 13 GLN CA C 13 62.100 58.067 4.033 1
1 97 . 18 1 1 A 13 13 GLN CB C 13 27.100 28.070 -0.970 1
1 99 . 18 1 1 A 13 13 GLN N N 13 126.400 119.528 6.872 1
1 100 . 18 1 1 A 14 14 ASN H H 14 8.580 8.065 0.515 1
1 101 . 18 1 1 A 14 14 ASN HA H 14 5.010 4.172 0.838 1
1 106 . 18 1 1 A 14 14 ASN C C 14 173.000 176.048 -3.048 1
1 107 . 18 1 1 A 14 14 ASN CA C 14 51.500 54.990 -3.490 1
1 108 . 18 1 1 A 14 14 ASN CB C 14 37.900 38.234 -0.334 1
1 109 . 18 1 1 A 14 14 ASN N N 14 115.900 118.027 -2.127 1
1 111 . 18 1 1 A 15 15 HIS H H 15 6.070 7.510 -1.440 1
1 112 . 18 1 1 A 15 15 HIS HA H 15 4.370 4.464 -0.094 1
1 117 . 18 1 1 A 15 15 HIS C C 15 174.400 174.889 -0.489 1
1 118 . 18 1 1 A 15 15 HIS CA C 15 56.600 56.962 -0.362 1
1 119 . 18 1 1 A 15 15 HIS CB C 15 33.400 30.078 3.322 1
1 120 . 18 1 1 A 15 15 HIS N N 15 120.500 117.521 2.979 1
1 121 . 18 1 1 A 16 16 PHE H H 16 8.880 8.870 0.010 1
1 122 . 18 1 1 A 16 16 PHE HA H 16 4.870 4.832 0.038 1
1 125 . 18 1 1 A 16 16 PHE C C 16 174.300 175.072 -0.772 1
1 126 . 18 1 1 A 16 16 PHE CA C 16 57.100 56.099 1.001 1
1 127 . 18 1 1 A 16 16 PHE CB C 16 39.700 37.349 2.351 1
1 128 . 18 1 1 A 16 16 PHE N N 16 127.200 125.012 2.188 1
1 129 . 18 1 1 A 17 17 GLU H H 17 5.780 8.443 -2.663 1
1 130 . 18 1 1 A 17 17 GLU HA H 17 4.500 4.620 -0.120 1
1 135 . 18 1 1 A 17 17 GLU C C 17 174.300 174.779 -0.479 1
1 136 . 18 1 1 A 17 17 GLU CA C 17 53.500 55.187 -1.687 1
1 137 . 18 1 1 A 17 17 GLU CB C 17 30.700 28.602 2.098 1
1 139 . 18 1 1 A 17 17 GLU N N 17 119.900 121.874 -1.974 1
1 140 . 18 1 1 A 18 18 PRO HA H 18 4.630 4.643 -0.013 1
1 147 . 18 1 1 A 18 18 PRO C C 18 178.100 175.864 2.236 1
1 148 . 18 1 1 A 18 18 PRO CA C 18 62.700 62.999 -0.299 1
1 149 . 18 1 1 A 18 18 PRO CB C 18 31.400 33.118 -1.718 1
1 152 . 18 1 1 A 19 19 GLY H H 19 8.820 8.314 0.506 1
1 153 . 18 1 1 A 19 19 GLY HA2 H 19 4.500 3.676 0.824 1
1 154 . 18 1 1 A 19 19 GLY HA3 H 19 3.630 3.978 -0.348 1
1 155 . 18 1 1 A 19 19 GLY C C 19 171.000 171.549 -0.549 1
1 156 . 18 1 1 A 19 19 GLY CA C 19 46.200 44.580 1.620 1
1 157 . 18 1 1 A 19 19 GLY N N 19 111.300 106.899 4.401 1
1 158 . 18 1 1 A 20 20 VAL H H 20 8.070 7.875 0.195 1
1 159 . 18 1 1 A 20 20 VAL HA H 20 4.750 4.475 0.275 1
1 167 . 18 1 1 A 20 20 VAL C C 20 172.300 173.767 -1.467 1
1 168 . 18 1 1 A 20 20 VAL CA C 20 60.200 59.993 0.207 1
1 169 . 18 1 1 A 20 20 VAL CB C 20 36.100 35.879 0.221 1
1 172 . 18 1 1 A 20 20 VAL N N 20 120.700 118.705 1.995 1
1 173 . 18 1 1 A 21 21 TYR H H 21 9.560 8.212 1.348 1
1 174 . 18 1 1 A 21 21 TYR HA H 21 5.230 5.421 -0.191 1
1 177 . 18 1 1 A 21 21 TYR C C 21 175.600 175.280 0.320 1
1 178 . 18 1 1 A 21 21 TYR CA C 21 56.800 56.017 0.783 1
1 179 . 18 1 1 A 21 21 TYR CB C 21 39.200 41.460 -2.260 1
1 180 . 18 1 1 A 21 21 TYR N N 21 123.200 121.697 1.503 1
1 181 . 18 1 1 A 22 22 VAL H H 22 9.400 8.703 0.697 1
1 182 . 18 1 1 A 22 22 VAL HA H 22 4.950 5.298 -0.348 1
1 190 . 18 1 1 A 22 22 VAL C C 22 174.000 174.546 -0.546 1
1 191 . 18 1 1 A 22 22 VAL CA C 22 57.100 59.005 -1.905 1
1 192 . 18 1 1 A 22 22 VAL CB C 22 33.900 35.546 -1.646 1
1 195 . 18 1 1 A 22 22 VAL N N 22 119.100 116.958 2.142 1
1 196 . 18 1 1 A 23 23 CYS H H 23 9.020 8.647 0.373 1
1 197 . 18 1 1 A 23 23 CYS HA H 23 4.260 4.710 -0.450 1
1 200 . 18 1 1 A 23 23 CYS C C 23 178.700 175.957 2.743 1
1 201 . 18 1 1 A 23 23 CYS CA C 23 60.600 59.489 1.111 1
1 202 . 18 1 1 A 23 23 CYS CB C 23 31.700 28.806 2.894 1
1 203 . 18 1 1 A 23 23 CYS N N 23 123.800 122.463 1.337 1
1 204 . 18 1 1 A 24 24 ALA H H 24 8.760 9.134 -0.374 1
1 205 . 18 1 1 A 24 24 ALA HA H 24 3.840 4.074 -0.234 1
1 209 . 18 1 1 A 24 24 ALA C C 24 177.500 178.602 -1.102 1
1 210 . 18 1 1 A 24 24 ALA CA C 24 55.000 55.038 -0.038 1
1 211 . 18 1 1 A 24 24 ALA CB C 24 18.700 18.376 0.324 1
1 212 . 18 1 1 A 24 24 ALA N N 24 131.900 128.792 3.108 1
1 213 . 18 1 1 A 25 25 LYS H H 25 9.200 7.773 1.427 1
1 214 . 18 1 1 A 25 25 LYS HA H 25 4.380 4.502 -0.122 1
1 222 . 18 1 1 A 25 25 LYS C C 25 178.100 178.831 -0.731 1
1 223 . 18 1 1 A 25 25 LYS CA C 25 57.900 57.844 0.056 1
1 224 . 18 1 1 A 25 25 LYS CB C 25 33.500 33.723 -0.223 1
1 228 . 18 1 1 A 25 25 LYS N N 25 120.000 115.840 4.160 1
1 229 . 18 1 1 A 26 26 CYS H H 26 8.730 8.090 0.640 1
1 230 . 18 1 1 A 26 26 CYS HA H 26 5.000 4.304 0.696 1
1 233 . 18 1 1 A 26 26 CYS C C 26 177.000 175.279 1.721 1
1 234 . 18 1 1 A 26 26 CYS CA C 26 59.400 62.107 -2.707 1
1 235 . 18 1 1 A 26 26 CYS CB C 26 32.900 27.452 5.448 1
1 236 . 18 1 1 A 26 26 CYS N N 26 120.900 118.169 2.731 1
1 237 . 18 1 1 A 27 27 SER H H 27 8.170 8.185 -0.015 1
1 238 . 18 1 1 A 27 27 SER HA H 27 4.140 4.364 -0.224 1
1 241 . 18 1 1 A 27 27 SER C C 27 174.800 173.938 0.862 1
1 242 . 18 1 1 A 27 27 SER CA C 27 60.900 59.434 1.466 1
1 243 . 18 1 1 A 27 27 SER CB C 27 61.600 61.123 0.477 1
1 244 . 18 1 1 A 27 27 SER N N 27 115.800 115.537 0.263 1
1 245 . 18 1 1 A 28 28 TYR H H 28 9.010 7.951 1.059 1
1 246 . 18 1 1 A 28 28 TYR HA H 28 4.420 4.800 -0.380 1
1 249 . 18 1 1 A 28 28 TYR C C 28 176.600 174.961 1.639 1
1 250 . 18 1 1 A 28 28 TYR CA C 28 59.300 57.303 1.997 1
1 251 . 18 1 1 A 28 28 TYR CB C 28 39.600 39.370 0.230 1
1 252 . 18 1 1 A 28 28 TYR N N 28 127.100 123.110 3.990 1
1 253 . 18 1 1 A 29 29 GLU H H 29 7.730 8.796 -1.066 1
1 254 . 18 1 1 A 29 29 GLU HA H 29 3.670 5.074 -1.404 1
1 259 . 18 1 1 A 29 29 GLU C C 29 174.900 176.580 -1.680 1
1 260 . 18 1 1 A 29 29 GLU CA C 29 58.700 56.849 1.851 1
1 261 . 18 1 1 A 29 29 GLU CB C 29 29.800 30.096 -0.296 1
1 263 . 18 1 1 A 29 29 GLU N N 29 124.500 126.700 -2.200 1
1 264 . 18 1 1 A 30 30 LEU H H 30 7.940 9.049 -1.109 1
1 265 . 18 1 1 A 30 30 LEU HA H 30 4.140 5.281 -1.141 1
1 274 . 18 1 1 A 30 30 LEU C C 30 175.400 175.137 0.263 1
1 275 . 18 1 1 A 30 30 LEU CA C 30 56.200 53.728 2.472 1
1 276 . 18 1 1 A 30 30 LEU CB C 30 46.700 45.250 1.450 1
1 277 . 18 1 1 A 30 30 LEU N N 30 121.800 121.291 0.509 1
1 278 . 18 1 1 A 31 31 PHE H H 31 7.880 9.016 -1.136 1
1 279 . 18 1 1 A 31 31 PHE HA H 31 4.720 5.195 -0.475 1
1 282 . 18 1 1 A 31 31 PHE C C 31 174.600 172.006 2.594 1
1 283 . 18 1 1 A 31 31 PHE CA C 31 56.600 56.471 0.129 1
1 284 . 18 1 1 A 31 31 PHE CB C 31 45.300 40.471 4.829 1
1 285 . 18 1 1 A 31 31 PHE N N 31 113.300 117.063 -3.763 1
1 286 . 18 1 1 A 32 32 SER H H 32 10.030 8.790 1.240 1
1 287 . 18 1 1 A 32 32 SER HA H 32 4.860 4.728 0.132 1
1 290 . 18 1 1 A 32 32 SER CA C 32 57.000 55.908 1.092 1
1 291 . 18 1 1 A 32 32 SER CB C 32 63.700 65.773 -2.073 1
1 292 . 18 1 1 A 32 32 SER N N 32 118.700 114.681 4.019 1
1 293 . 18 1 1 A 33 33 SER H H 33 8.990 8.534 0.456 1
1 294 . 18 1 1 A 33 33 SER HA H 33 4.840 4.385 0.455 1
1 297 . 18 1 1 A 33 33 SER C C 33 177.300 174.613 2.687 1
1 298 . 18 1 1 A 33 33 SER CA C 33 63.700 58.864 4.836 1
1 299 . 18 1 1 A 33 33 SER CB C 33 63.700 63.529 0.171 1
1 300 . 18 1 1 A 33 33 SER N N 33 123.100 120.095 3.005 1
1 301 . 18 1 1 A 34 34 HIS HA H 34 4.710 4.515 0.195 1
1 304 . 18 1 1 A 34 34 HIS C C 34 175.800 176.819 -1.019 1
1 305 . 18 1 1 A 34 34 HIS CA C 34 57.900 57.037 0.863 1
1 306 . 18 1 1 A 34 34 HIS CB C 34 28.600 31.238 -2.638 1
1 307 . 18 1 1 A 35 35 SER H H 35 7.960 7.806 0.154 1
1 308 . 18 1 1 A 35 35 SER HA H 35 4.820 4.208 0.612 1
1 311 . 18 1 1 A 35 35 SER C C 35 173.200 174.132 -0.932 1
1 312 . 18 1 1 A 35 35 SER CA C 35 58.100 60.898 -2.798 1
1 313 . 18 1 1 A 35 35 SER CB C 35 65.300 62.977 2.323 1
1 314 . 18 1 1 A 35 35 SER N N 35 114.500 113.502 0.998 1
1 315 . 18 1 1 A 36 36 LYS H H 36 7.630 7.279 0.351 1
1 316 . 18 1 1 A 36 36 LYS HA H 36 4.890 3.941 0.949 1
1 322 . 18 1 1 A 36 36 LYS C C 36 176.100 174.684 1.416 1
1 323 . 18 1 1 A 36 36 LYS CA C 36 55.400 54.639 0.761 1
1 324 . 18 1 1 A 36 36 LYS CB C 36 35.400 33.963 1.437 1
1 328 . 18 1 1 A 36 36 LYS N N 36 126.900 121.706 5.194 1
1 329 . 18 1 1 A 37 37 TYR H H 37 8.440 8.040 0.400 1
1 330 . 18 1 1 A 37 37 TYR HA H 37 5.100 5.481 -0.381 1
1 333 . 18 1 1 A 37 37 TYR C C 37 172.800 173.607 -0.807 1
1 334 . 18 1 1 A 37 37 TYR CA C 37 55.400 54.908 0.492 1
1 335 . 18 1 1 A 37 37 TYR CB C 37 41.000 41.614 -0.614 1
1 336 . 18 1 1 A 37 37 TYR N N 37 124.200 122.420 1.780 1
1 337 . 18 1 1 A 38 38 ALA H H 38 8.590 8.488 0.102 1
1 338 . 18 1 1 A 38 38 ALA HA H 38 4.630 4.599 0.031 1
1 342 . 18 1 1 A 38 38 ALA C C 38 175.900 176.715 -0.815 1
1 343 . 18 1 1 A 38 38 ALA CA C 38 52.500 51.386 1.114 1
1 344 . 18 1 1 A 38 38 ALA CB C 38 18.300 19.840 -1.540 1
1 345 . 18 1 1 A 38 38 ALA N N 38 125.100 123.010 2.090 1
1 346 . 18 1 1 A 39 39 HIS H H 39 8.080 8.439 -0.359 1
1 347 . 18 1 1 A 39 39 HIS HA H 39 4.620 5.065 -0.445 1
1 352 . 18 1 1 A 39 39 HIS C C 39 174.100 172.626 1.474 1
1 353 . 18 1 1 A 39 39 HIS CA C 39 57.000 55.923 1.077 1
1 354 . 18 1 1 A 39 39 HIS CB C 39 34.600 33.748 0.852 1
1 355 . 18 1 1 A 39 39 HIS N N 39 125.600 121.806 3.794 1
1 356 . 18 1 1 A 40 40 SER H H 40 6.860 8.308 -1.448 1
1 357 . 18 1 1 A 40 40 SER HA H 40 4.060 5.037 -0.977 1
1 360 . 18 1 1 A 40 40 SER C C 40 174.900 173.519 1.381 1
1 361 . 18 1 1 A 40 40 SER CA C 40 58.800 57.635 1.165 1
1 362 . 18 1 1 A 40 40 SER CB C 40 62.700 63.977 -1.277 1
1 363 . 18 1 1 A 40 40 SER N N 40 118.700 123.116 -4.416 1
1 364 . 18 1 1 A 41 41 SER H H 41 9.140 8.901 0.239 1
1 365 . 18 1 1 A 41 41 SER HA H 41 4.480 4.923 -0.443 1
1 368 . 18 1 1 A 41 41 SER C C 41 173.600 171.767 1.833 1
1 369 . 18 1 1 A 41 41 SER CA C 41 57.800 57.105 0.695 1
1 370 . 18 1 1 A 41 41 SER CB C 41 63.600 66.011 -2.411 1
1 371 . 18 1 1 A 41 41 SER N N 41 122.500 120.756 1.744 1
1 372 . 18 1 1 A 42 42 PRO HA H 42 4.040 4.188 -0.148 1
1 379 . 18 1 1 A 42 42 PRO C C 42 174.900 176.793 -1.893 1
1 380 . 18 1 1 A 42 42 PRO CA C 42 63.700 63.342 0.358 1
1 381 . 18 1 1 A 42 42 PRO CB C 42 31.500 31.903 -0.403 1
1 384 . 18 1 1 A 43 43 TRP H H 43 6.590 8.018 -1.428 1
1 385 . 18 1 1 A 43 43 TRP HA H 43 4.850 4.227 0.623 1
1 394 . 18 1 1 A 43 43 TRP C C 43 174.100 175.056 -0.956 1
1 395 . 18 1 1 A 43 43 TRP CA C 43 57.300 57.760 -0.460 1
1 396 . 18 1 1 A 43 43 TRP CB C 43 29.500 27.517 1.983 1
1 397 . 18 1 1 A 43 43 TRP N N 43 113.900 117.668 -3.768 1
1 399 . 18 1 1 A 44 44 PRO HA H 44 3.810 4.629 -0.819 1
1 405 . 18 1 1 A 44 44 PRO C C 44 174.800 175.678 -0.878 1
1 406 . 18 1 1 A 44 44 PRO CA C 44 63.200 62.566 0.634 1
1 407 . 18 1 1 A 44 44 PRO CB C 44 32.200 33.155 -0.955 1
1 410 . 18 1 1 A 45 45 ALA H H 45 7.850 8.265 -0.415 1
1 411 . 18 1 1 A 45 45 ALA HA H 45 5.260 5.075 0.185 1
1 415 . 18 1 1 A 45 45 ALA C C 45 174.800 175.687 -0.887 1
1 416 . 18 1 1 A 45 45 ALA CA C 45 50.100 50.994 -0.894 1
1 417 . 18 1 1 A 45 45 ALA CB C 45 20.800 24.032 -3.232 1
1 418 . 18 1 1 A 45 45 ALA N N 45 126.700 120.290 6.410 1
1 419 . 18 1 1 A 46 46 PHE H H 46 8.080 9.186 -1.106 1
1 420 . 18 1 1 A 46 46 PHE HA H 46 5.860 4.908 0.952 1
1 424 . 18 1 1 A 46 46 PHE C C 46 177.800 176.009 1.791 1
1 425 . 18 1 1 A 46 46 PHE CA C 46 54.800 56.773 -1.973 1
1 426 . 18 1 1 A 46 46 PHE CB C 46 44.500 43.387 1.113 1
1 427 . 18 1 1 A 46 46 PHE N N 46 115.600 115.580 0.020 1
1 428 . 18 1 1 A 47 47 THR H H 47 9.190 8.394 0.796 1
1 429 . 18 1 1 A 47 47 THR HA H 47 5.220 4.986 0.234 1
1 434 . 18 1 1 A 47 47 THR C C 47 175.000 175.239 -0.239 1
1 435 . 18 1 1 A 47 47 THR CA C 47 63.000 62.418 0.582 1
1 436 . 18 1 1 A 47 47 THR CB C 47 70.500 69.787 0.713 1
1 438 . 18 1 1 A 47 47 THR N N 47 109.900 113.139 -3.239 1
1 439 . 18 1 1 A 48 48 GLU H H 48 7.320 7.719 -0.399 1
1 440 . 18 1 1 A 48 48 GLU HA H 48 4.920 4.840 0.080 1
1 445 . 18 1 1 A 48 48 GLU C C 48 175.400 175.175 0.225 1
1 446 . 18 1 1 A 48 48 GLU CA C 48 55.200 54.489 0.711 1
1 447 . 18 1 1 A 48 48 GLU CB C 48 31.900 33.017 -1.117 1
1 449 . 18 1 1 A 48 48 GLU N N 48 115.400 120.004 -4.604 1
1 450 . 18 1 1 A 49 49 THR H H 49 8.150 8.464 -0.314 1
1 451 . 18 1 1 A 49 49 THR HA H 49 4.090 4.920 -0.830 1
1 456 . 18 1 1 A 49 49 THR C C 49 175.800 174.865 0.935 1
1 457 . 18 1 1 A 49 49 THR CA C 49 60.000 60.636 -0.636 1
1 458 . 18 1 1 A 49 49 THR CB C 49 70.400 71.334 -0.934 1
1 460 . 18 1 1 A 49 49 THR N N 49 111.400 111.376 0.024 1
1 461 . 18 1 1 A 50 50 ILE H H 50 7.720 8.481 -0.761 1
1 462 . 18 1 1 A 50 50 ILE HA H 50 3.630 4.319 -0.689 1
1 472 . 18 1 1 A 50 50 ILE C C 50 174.500 176.443 -1.943 1
1 473 . 18 1 1 A 50 50 ILE CA C 50 64.100 61.015 3.085 1
1 474 . 18 1 1 A 50 50 ILE CB C 50 38.700 38.191 0.509 1
1 478 . 18 1 1 A 50 50 ILE N N 50 121.700 124.042 -2.342 1
1 479 . 18 1 1 A 51 51 HIS H H 51 7.400 7.542 -0.142 1
1 480 . 18 1 1 A 51 51 HIS HA H 51 5.300 4.610 0.690 1
1 484 . 18 1 1 A 51 51 HIS C C 51 175.500 173.339 2.161 1
1 485 . 18 1 1 A 51 51 HIS CA C 51 51.800 55.208 -3.408 1
1 486 . 18 1 1 A 51 51 HIS CB C 51 29.700 29.596 0.104 1
1 487 . 18 1 1 A 51 51 HIS N N 51 115.500 122.398 -6.898 1
1 488 . 18 1 1 A 52 52 PRO HA H 52 4.350 4.494 -0.144 1
1 495 . 18 1 1 A 52 52 PRO C C 52 176.900 175.725 1.175 1
1 496 . 18 1 1 A 52 52 PRO CA C 52 64.800 62.318 2.482 1
1 497 . 18 1 1 A 52 52 PRO CB C 52 31.300 33.187 -1.887 1
1 500 . 18 1 1 A 53 53 ASP H H 53 8.070 8.561 -0.491 1
1 501 . 18 1 1 A 53 53 ASP HA H 53 4.760 4.457 0.303 1
1 504 . 18 1 1 A 53 53 ASP C C 53 176.900 177.480 -0.580 1
1 505 . 18 1 1 A 53 53 ASP CA C 53 52.100 54.556 -2.456 1
1 506 . 18 1 1 A 53 53 ASP CB C 53 39.700 39.893 -0.193 1
1 507 . 18 1 1 A 53 53 ASP N N 53 114.300 120.405 -6.105 1
1 508 . 18 1 1 A 54 54 SER H H 54 7.720 7.949 -0.229 1
1 509 . 18 1 1 A 54 54 SER HA H 54 4.040 4.335 -0.295 1
1 512 . 18 1 1 A 54 54 SER C C 54 173.200 174.340 -1.140 1
1 513 . 18 1 1 A 54 54 SER CA C 54 64.100 60.306 3.794 1
1 514 . 18 1 1 A 54 54 SER CB C 54 64.200 63.486 0.714 1
1 515 . 18 1 1 A 54 54 SER N N 54 116.300 114.802 1.498 1
1 516 . 18 1 1 A 55 55 VAL H H 55 7.360 7.472 -0.112 1
1 517 . 18 1 1 A 55 55 VAL HA H 55 5.280 4.567 0.713 1
1 525 . 18 1 1 A 55 55 VAL C C 55 175.700 174.587 1.113 1
1 526 . 18 1 1 A 55 55 VAL CA C 55 57.300 60.314 -3.014 1
1 527 . 18 1 1 A 55 55 VAL CB C 55 34.800 33.604 1.196 1
1 530 . 18 1 1 A 55 55 VAL N N 55 105.200 116.971 -11.771 1
1 531 . 18 1 1 A 56 56 THR H H 56 8.780 8.503 0.277 1
1 532 . 18 1 1 A 56 56 THR HA H 56 4.530 5.039 -0.509 1
1 537 . 18 1 1 A 56 56 THR C C 56 173.800 172.970 0.830 1
1 538 . 18 1 1 A 56 56 THR CA C 56 60.500 59.999 0.501 1
1 539 . 18 1 1 A 56 56 THR CB C 56 70.400 72.004 -1.604 1
1 541 . 18 1 1 A 56 56 THR N N 56 116.000 116.597 -0.597 1
1 542 . 18 1 1 A 57 57 LYS H H 57 8.610 8.766 -0.156 1
1 543 . 18 1 1 A 57 57 LYS HA H 57 5.490 5.222 0.268 1
1 550 . 18 1 1 A 57 57 LYS C C 57 176.000 175.196 0.804 1
1 551 . 18 1 1 A 57 57 LYS CA C 57 54.600 54.233 0.367 1
1 552 . 18 1 1 A 57 57 LYS CB C 57 36.000 36.253 -0.253 1
1 556 . 18 1 1 A 57 57 LYS N N 57 121.900 123.913 -2.013 1
1 557 . 18 1 1 A 58 58 CYS H H 58 8.610 8.842 -0.232 1
1 558 . 18 1 1 A 58 58 CYS HA H 58 5.100 5.026 0.074 1
1 561 . 18 1 1 A 58 58 CYS CA C 58 55.200 56.472 -1.272 1
1 562 . 18 1 1 A 58 58 CYS CB C 58 29.700 30.604 -0.904 1
1 563 . 18 1 1 A 58 58 CYS N N 58 120.600 117.627 2.973 1
1 564 . 18 1 1 A 59 59 PRO HA H 59 4.590 4.513 0.077 1
1 571 . 18 1 1 A 59 59 PRO C C 59 176.600 176.849 -0.249 1
1 572 . 18 1 1 A 59 59 PRO CA C 59 63.700 62.330 1.370 1
1 573 . 18 1 1 A 59 59 PRO CB C 59 32.100 31.995 0.105 1
1 576 . 18 1 1 A 60 60 GLU H H 60 8.630 8.078 0.552 1
1 577 . 18 1 1 A 60 60 GLU HA H 60 4.450 4.481 -0.031 1
1 582 . 18 1 1 A 60 60 GLU C C 60 176.900 176.012 0.888 1
1 583 . 18 1 1 A 60 60 GLU CA C 60 55.700 56.365 -0.665 1
1 584 . 18 1 1 A 60 60 GLU CB C 60 30.500 30.366 0.134 1
1 586 . 18 1 1 A 60 60 GLU N N 60 123.900 121.421 2.479 1
1 587 . 18 1 1 A 61 61 LYS H H 61 8.780 8.925 -0.145 1
1 588 . 18 1 1 A 61 61 LYS HA H 61 3.930 4.577 -0.647 1
1 596 . 18 1 1 A 61 61 LYS C C 61 177.100 177.853 -0.753 1
1 597 . 18 1 1 A 61 61 LYS CA C 61 58.300 56.721 1.579 1
1 598 . 18 1 1 A 61 61 LYS CB C 61 31.900 33.893 -1.993 1
1 602 . 18 1 1 A 61 61 LYS N N 61 127.000 122.137 4.863 1
1 603 . 18 1 1 A 62 62 ASN H H 62 8.870 8.175 0.695 1
1 604 . 18 1 1 A 62 62 ASN HA H 62 4.520 4.723 -0.203 1
1 609 . 18 1 1 A 62 62 ASN C C 62 174.400 175.442 -1.042 1
1 610 . 18 1 1 A 62 62 ASN CA C 62 54.000 53.202 0.798 1
1 611 . 18 1 1 A 62 62 ASN CB C 62 38.000 38.478 -0.478 1
1 612 . 18 1 1 A 62 62 ASN N N 62 117.000 114.386 2.614 1
1 613 . 18 1 1 A 63 63 ARG H H 63 7.430 7.613 -0.183 1
1 614 . 18 1 1 A 63 63 ARG HA H 63 4.810 4.766 0.044 1
1 622 . 18 1 1 A 63 63 ARG C C 63 172.300 174.055 -1.755 1
1 623 . 18 1 1 A 63 63 ARG CA C 63 53.800 53.692 0.108 1
1 624 . 18 1 1 A 63 63 ARG CB C 63 31.300 30.922 0.378 1
1 627 . 18 1 1 A 63 63 ARG N N 63 119.200 119.714 -0.514 1
1 629 . 18 1 1 A 64 64 PRO HA H 64 4.350 4.534 -0.184 1
1 636 . 18 1 1 A 64 64 PRO C C 64 176.900 175.879 1.021 1
1 637 . 18 1 1 A 64 64 PRO CA C 64 64.200 62.853 1.347 1
1 638 . 18 1 1 A 64 64 PRO CB C 64 31.800 29.708 2.092 1
1 641 . 18 1 1 A 65 65 GLU H H 65 9.210 8.613 0.597 1
1 642 . 18 1 1 A 65 65 GLU HA H 65 4.280 4.486 -0.206 1
1 647 . 18 1 1 A 65 65 GLU C C 65 174.300 175.176 -0.876 1
1 648 . 18 1 1 A 65 65 GLU CA C 65 56.600 55.956 0.644 1
1 649 . 18 1 1 A 65 65 GLU CB C 65 28.200 31.393 -3.193 1
1 651 . 18 1 1 A 65 65 GLU N N 65 117.000 120.211 -3.211 1
1 652 . 18 1 1 A 66 66 ALA H H 66 8.040 7.034 1.006 1
1 653 . 18 1 1 A 66 66 ALA HA H 66 5.230 4.262 0.968 1
1 657 . 18 1 1 A 66 66 ALA C C 66 174.900 174.847 0.053 1
1 658 . 18 1 1 A 66 66 ALA CA C 66 50.300 51.044 -0.744 1
1 659 . 18 1 1 A 66 66 ALA CB C 66 22.200 21.891 0.309 1
1 660 . 18 1 1 A 66 66 ALA N N 66 124.800 120.456 4.344 1
1 661 . 18 1 1 A 67 67 LEU H H 67 8.710 8.194 0.516 1
1 662 . 18 1 1 A 67 67 LEU HA H 67 4.800 5.078 -0.278 1
1 672 . 18 1 1 A 67 67 LEU C C 67 177.200 175.818 1.382 1
1 673 . 18 1 1 A 67 67 LEU CA C 67 52.800 53.360 -0.560 1
1 674 . 18 1 1 A 67 67 LEU CB C 67 43.200 45.146 -1.946 1
1 678 . 18 1 1 A 67 67 LEU N N 67 120.400 119.292 1.108 1
1 679 . 18 1 1 A 68 68 LYS H H 68 9.180 8.737 0.443 1
1 680 . 18 1 1 A 68 68 LYS HA H 68 4.050 4.390 -0.340 1
1 689 . 18 1 1 A 68 68 LYS C C 68 176.900 175.155 1.745 1
1 690 . 18 1 1 A 68 68 LYS CA C 68 57.100 54.737 2.363 1
1 691 . 18 1 1 A 68 68 LYS CB C 68 32.600 34.126 -1.526 1
1 695 . 18 1 1 A 68 68 LYS N N 68 125.300 121.456 3.844 1
1 696 . 18 1 1 A 69 69 VAL H H 69 8.150 8.393 -0.243 1
1 697 . 18 1 1 A 69 69 VAL HA H 69 5.240 4.695 0.545 1
1 705 . 18 1 1 A 69 69 VAL C C 69 174.900 174.665 0.235 1
1 706 . 18 1 1 A 69 69 VAL CA C 69 59.900 61.226 -1.326 1
1 707 . 18 1 1 A 69 69 VAL CB C 69 34.700 33.225 1.475 1
1 710 . 18 1 1 A 69 69 VAL N N 69 121.600 126.111 -4.511 1
1 711 . 18 1 1 A 70 70 SER H H 70 8.610 8.574 0.036 1
1 712 . 18 1 1 A 70 70 SER HA H 70 5.210 4.899 0.311 1
1 715 . 18 1 1 A 70 70 SER C C 70 171.900 172.385 -0.485 1
1 716 . 18 1 1 A 70 70 SER CA C 70 56.600 56.880 -0.280 1
1 717 . 18 1 1 A 70 70 SER CB C 70 65.600 66.035 -0.435 1
1 718 . 18 1 1 A 70 70 SER N N 70 120.600 119.236 1.364 1
1 719 . 18 1 1 A 71 71 CYS H H 71 9.280 8.451 0.829 1
1 720 . 18 1 1 A 71 71 CYS HA H 71 4.130 4.491 -0.361 1
1 723 . 18 1 1 A 71 71 CYS C C 71 178.600 175.125 3.475 1
1 724 . 18 1 1 A 71 71 CYS CA C 71 61.600 58.068 3.532 1
1 725 . 18 1 1 A 71 71 CYS CB C 71 31.300 26.811 4.489 1
1 726 . 18 1 1 A 71 71 CYS N N 71 126.700 121.961 4.739 1
1 727 . 18 1 1 A 72 72 GLY H H 72 9.140 8.278 0.862 1
1 728 . 18 1 1 A 72 72 GLY HA2 H 72 3.760 3.864 -0.104 1
1 729 . 18 1 1 A 72 72 GLY HA3 H 72 3.670 3.865 -0.195 1
1 730 . 18 1 1 A 72 72 GLY C C 72 172.500 175.943 -3.443 1
1 731 . 18 1 1 A 72 72 GLY CA C 72 46.200 47.211 -1.011 1
1 732 . 18 1 1 A 72 72 GLY N N 72 120.100 113.841 6.259 1
1 733 . 18 1 1 A 73 73 LYS H H 73 9.090 8.023 1.067 1
1 734 . 18 1 1 A 73 73 LYS HA H 73 4.210 4.057 0.153 1
1 742 . 18 1 1 A 73 73 LYS C C 73 177.600 178.309 -0.709 1
1 743 . 18 1 1 A 73 73 LYS CA C 73 56.600 59.140 -2.540 1
1 744 . 18 1 1 A 73 73 LYS CB C 73 32.700 32.129 0.571 1
1 748 . 18 1 1 A 73 73 LYS N N 73 124.400 120.827 3.573 1
1 749 . 18 1 1 A 74 74 CYS H H 74 8.590 7.641 0.949 1
1 750 . 18 1 1 A 74 74 CYS HA H 74 4.910 4.624 0.286 1
1 753 . 18 1 1 A 74 74 CYS C C 74 177.400 175.641 1.759 1
1 754 . 18 1 1 A 74 74 CYS CA C 74 58.900 58.897 0.003 1
1 755 . 18 1 1 A 74 74 CYS CB C 74 33.300 29.562 3.738 1
1 756 . 18 1 1 A 74 74 CYS N N 74 119.700 114.476 5.224 1
1 757 . 18 1 1 A 75 75 GLY H H 75 7.760 8.829 -1.069 1
1 758 . 18 1 1 A 75 75 GLY HA2 H 75 4.210 3.959 0.251 1
1 759 . 18 1 1 A 75 75 GLY HA3 H 75 3.750 3.963 -0.213 1
1 760 . 18 1 1 A 75 75 GLY C C 75 174.000 173.658 0.342 1
1 761 . 18 1 1 A 75 75 GLY CA C 75 46.100 46.464 -0.364 1
1 762 . 18 1 1 A 75 75 GLY N N 75 113.000 111.207 1.793 1
1 763 . 18 1 1 A 76 76 ASN H H 76 9.050 7.695 1.355 1
1 764 . 18 1 1 A 76 76 ASN HA H 76 4.500 5.110 -0.610 1
1 769 . 18 1 1 A 76 76 ASN C C 76 178.700 173.969 4.731 1
1 770 . 18 1 1 A 76 76 ASN CA C 76 54.700 51.070 3.630 1
1 771 . 18 1 1 A 76 76 ASN CB C 76 39.800 40.743 -0.943 1
1 772 . 18 1 1 A 76 76 ASN N N 76 123.700 118.452 5.248 1
1 774 . 18 1 1 A 77 77 GLY H H 77 8.660 8.383 0.277 1
1 775 . 18 1 1 A 77 77 GLY HA2 H 77 3.970 4.152 -0.182 1
1 776 . 18 1 1 A 77 77 GLY HA3 H 77 3.710 4.181 -0.471 1
1 777 . 18 1 1 A 77 77 GLY C C 77 173.800 174.751 -0.951 1
1 778 . 18 1 1 A 77 77 GLY CA C 77 47.300 45.553 1.747 1
1 779 . 18 1 1 A 77 77 GLY N N 77 115.600 109.060 6.540 1
1 780 . 18 1 1 A 78 78 LEU H H 78 8.600 8.716 -0.116 1
1 781 . 18 1 1 A 78 78 LEU HA H 78 4.810 3.974 0.836 1
1 791 . 18 1 1 A 78 78 LEU C C 78 173.800 177.178 -3.378 1
1 792 . 18 1 1 A 78 78 LEU CA C 78 54.900 58.330 -3.430 1
1 793 . 18 1 1 A 78 78 LEU CB C 78 45.000 41.996 3.004 1
1 797 . 18 1 1 A 78 78 LEU N N 78 122.700 124.443 -1.743 1
1 798 . 18 1 1 A 79 79 GLY H H 79 7.100 7.471 -0.371 1
1 799 . 18 1 1 A 79 79 GLY HA2 H 79 4.650 4.089 0.561 1
1 800 . 18 1 1 A 79 79 GLY HA3 H 79 3.020 4.182 -1.162 1
1 801 . 18 1 1 A 79 79 GLY C C 79 173.000 171.344 1.656 1
1 802 . 18 1 1 A 79 79 GLY CA C 79 44.900 46.037 -1.137 1
1 803 . 18 1 1 A 79 79 GLY N N 79 102.400 103.025 -0.625 1
1 804 . 18 1 1 A 80 80 HIS H H 80 8.580 8.370 0.210 1
1 805 . 18 1 1 A 80 80 HIS HA H 80 5.470 5.203 0.267 1
1 810 . 18 1 1 A 80 80 HIS C C 80 172.300 173.424 -1.124 1
1 811 . 18 1 1 A 80 80 HIS CA C 80 55.000 54.371 0.629 1
1 812 . 18 1 1 A 80 80 HIS CB C 80 34.500 33.865 0.635 1
1 813 . 18 1 1 A 80 80 HIS N N 80 122.400 117.954 4.446 1
1 814 . 18 1 1 A 81 81 GLU H H 81 9.260 9.126 0.134 1
1 815 . 18 1 1 A 81 81 GLU HA H 81 4.100 4.733 -0.633 1
1 820 . 18 1 1 A 81 81 GLU C C 81 174.300 175.335 -1.035 1
1 821 . 18 1 1 A 81 81 GLU CA C 81 54.700 55.217 -0.517 1
1 822 . 18 1 1 A 81 81 GLU CB C 81 31.600 33.321 -1.721 1
1 824 . 18 1 1 A 81 81 GLU N N 81 123.700 120.765 2.935 1
1 825 . 18 1 1 A 82 82 PHE H H 82 9.150 8.939 0.211 1
1 826 . 18 1 1 A 82 82 PHE HA H 82 5.080 4.699 0.381 1
1 830 . 18 1 1 A 82 82 PHE C C 82 174.300 175.065 -0.765 1
1 831 . 18 1 1 A 82 82 PHE CA C 82 56.700 59.023 -2.323 1
1 832 . 18 1 1 A 82 82 PHE CB C 82 38.800 39.384 -0.584 1
1 833 . 18 1 1 A 82 82 PHE N N 82 126.900 126.911 -0.011 1
1 834 . 18 1 1 A 83 83 LEU H H 83 8.280 8.797 -0.517 1
1 835 . 18 1 1 A 83 83 LEU HA H 83 4.100 4.759 -0.659 1
1 845 . 18 1 1 A 83 83 LEU C C 83 176.200 175.306 0.894 1
1 846 . 18 1 1 A 83 83 LEU CA C 83 55.500 53.834 1.666 1
1 847 . 18 1 1 A 83 83 LEU CB C 83 42.000 45.232 -3.232 1
1 849 . 18 1 1 A 83 83 LEU N N 83 126.900 123.647 3.253 1
1 850 . 18 1 1 A 84 84 ASN H H 84 9.260 8.825 0.435 1
1 851 . 18 1 1 A 84 84 ASN HA H 84 4.290 4.373 -0.083 1
1 856 . 18 1 1 A 84 84 ASN C C 84 174.400 174.095 0.305 1
1 857 . 18 1 1 A 84 84 ASN CA C 84 54.800 54.942 -0.142 1
1 858 . 18 1 1 A 84 84 ASN CB C 84 37.900 37.194 0.706 1
1 859 . 18 1 1 A 84 84 ASN N N 84 116.900 121.276 -4.376 1
1 861 . 18 1 1 A 85 85 ASP H H 85 7.140 8.167 -1.027 1
1 862 . 18 1 1 A 85 85 ASP HA H 85 5.200 4.945 0.255 1
1 865 . 18 1 1 A 85 85 ASP C C 85 176.000 175.854 0.146 1
1 866 . 18 1 1 A 85 85 ASP CA C 85 53.800 53.992 -0.192 1
1 867 . 18 1 1 A 85 85 ASP CB C 85 45.500 43.362 2.138 1
1 868 . 18 1 1 A 85 85 ASP N N 85 117.200 118.313 -1.113 1
1 869 . 18 1 1 A 86 86 GLY H H 86 8.230 8.109 0.121 1
1 870 . 18 1 1 A 86 86 GLY HA2 H 86 4.140 4.454 -0.314 1
1 871 . 18 1 1 A 86 86 GLY HA3 H 86 3.280 4.466 -1.186 1
1 872 . 18 1 1 A 86 86 GLY C C 86 171.700 173.568 -1.868 1
1 873 . 18 1 1 A 86 86 GLY CA C 86 44.600 45.752 -1.152 1
1 874 . 18 1 1 A 86 86 GLY N N 86 107.600 106.783 0.817 1
1 875 . 18 1 1 A 87 87 PRO HA H 87 4.190 4.533 -0.343 1
1 882 . 18 1 1 A 87 87 PRO C C 87 177.000 176.398 0.602 1
1 883 . 18 1 1 A 87 87 PRO CA C 87 65.200 64.150 1.050 1
1 884 . 18 1 1 A 87 87 PRO CB C 87 31.700 31.756 -0.056 1
1 887 . 18 1 1 A 88 88 LYS H H 88 7.310 7.971 -0.661 1
1 888 . 18 1 1 A 88 88 LYS HA H 88 4.480 4.462 0.018 1
1 897 . 18 1 1 A 88 88 LYS C C 88 175.700 175.448 0.252 1
1 898 . 18 1 1 A 88 88 LYS CA C 88 53.700 55.688 -1.988 1
1 899 . 18 1 1 A 88 88 LYS CB C 88 34.900 31.427 3.473 1
1 903 . 18 1 1 A 88 88 LYS N N 88 116.200 118.141 -1.941 1
1 904 . 18 1 1 A 89 89 ARG H H 89 8.320 8.306 0.014 1
1 905 . 18 1 1 A 89 89 ARG HA H 89 4.010 3.930 0.080 1
1 912 . 18 1 1 A 89 89 ARG C C 89 177.500 177.366 0.134 1
1 913 . 18 1 1 A 89 89 ARG CA C 89 57.900 57.753 0.147 1
1 914 . 18 1 1 A 89 89 ARG CB C 89 32.100 30.661 1.439 1
1 917 . 18 1 1 A 89 89 ARG N N 89 122.200 125.073 -2.873 1
1 919 . 18 1 1 A 90 90 GLY H H 90 8.950 8.712 0.238 1
1 920 . 18 1 1 A 90 90 GLY HA2 H 90 4.240 3.954 0.286 1
1 921 . 18 1 1 A 90 90 GLY HA3 H 90 3.850 3.958 -0.108 1
1 922 . 18 1 1 A 90 90 GLY C C 90 175.000 173.334 1.666 1
1 923 . 18 1 1 A 90 90 GLY CA C 90 45.100 45.516 -0.416 1
1 924 . 18 1 1 A 90 90 GLY N N 90 115.100 111.030 4.070 1
1 925 . 18 1 1 A 91 91 GLN H H 91 8.120 7.962 0.158 1
1 926 . 18 1 1 A 91 91 GLN HA H 91 4.580 4.875 -0.295 1
1 933 . 18 1 1 A 91 91 GLN C C 91 177.000 174.554 2.446 1
1 934 . 18 1 1 A 91 91 GLN CA C 91 55.900 53.781 2.119 1
1 935 . 18 1 1 A 91 91 GLN CB C 91 31.000 32.078 -1.078 1
1 937 . 18 1 1 A 91 91 GLN N N 91 120.900 119.682 1.218 1
1 938 . 18 1 1 A 92 92 SER H H 92 9.210 8.694 0.516 1
1 939 . 18 1 1 A 92 92 SER HA H 92 4.820 5.180 -0.360 1
1 942 . 18 1 1 A 92 92 SER C C 92 171.600 172.872 -1.272 1
1 943 . 18 1 1 A 92 92 SER CA C 92 57.700 57.913 -0.213 1
1 944 . 18 1 1 A 92 92 SER CB C 92 65.200 65.948 -0.748 1
1 945 . 18 1 1 A 92 92 SER N N 92 120.900 114.795 6.105 1
1 946 . 18 1 1 A 93 93 ARG H H 93 7.820 8.995 -1.175 1
1 947 . 18 1 1 A 93 93 ARG HA H 93 4.950 4.958 -0.008 1
1 952 . 18 1 1 A 93 93 ARG C C 93 176.400 174.478 1.922 1
1 953 . 18 1 1 A 93 93 ARG CA C 93 55.200 55.126 0.074 1
1 954 . 18 1 1 A 93 93 ARG CB C 93 34.600 31.319 3.281 1
1 957 . 18 1 1 A 93 93 ARG N N 93 117.800 126.436 -8.636 1
1 958 . 18 1 1 A 94 94 PHE H H 94 9.860 9.290 0.570 1
1 959 . 18 1 1 A 94 94 PHE HA H 94 4.780 5.700 -0.920 1
1 962 . 18 1 1 A 94 94 PHE C C 94 176.400 173.816 2.584 1
1 963 . 18 1 1 A 94 94 PHE CA C 94 58.300 55.588 2.712 1
1 964 . 18 1 1 A 94 94 PHE CB C 94 38.500 41.368 -2.868 1
1 965 . 18 1 1 A 94 94 PHE N N 94 127.100 125.114 1.986 1
1 966 . 18 1 1 A 95 95 CYS H H 95 9.190 8.999 0.191 1
1 967 . 18 1 1 A 95 95 CYS HA H 95 4.810 4.517 0.293 1
1 970 . 18 1 1 A 95 95 CYS CA C 95 57.300 58.389 -1.089 1
1 971 . 18 1 1 A 95 95 CYS CB C 95 28.700 27.000 1.700 1
1 972 . 18 1 1 A 95 95 CYS N N 95 128.200 127.013 1.187 1
1 973 . 18 1 1 A 96 96 ILE H H 96 7.510 8.701 -1.191 1
1 974 . 18 1 1 A 96 96 ILE HA H 96 4.620 4.775 -0.155 1
1 983 . 18 1 1 A 96 96 ILE C C 96 173.700 174.207 -0.507 1
1 984 . 18 1 1 A 96 96 ILE CA C 96 55.800 59.919 -4.119 1
1 985 . 18 1 1 A 96 96 ILE CB C 96 39.900 40.355 -0.455 1
1 989 . 18 1 1 A 96 96 ILE N N 96 130.700 129.967 0.733 1
1 990 . 18 1 1 A 97 97 PHE H H 97 8.040 8.662 -0.622 1
1 991 . 18 1 1 A 97 97 PHE HA H 97 4.920 4.962 -0.042 1
1 994 . 18 1 1 A 97 97 PHE C C 97 178.800 176.771 2.029 1
1 995 . 18 1 1 A 97 97 PHE CA C 97 57.500 57.247 0.253 1
1 996 . 18 1 1 A 97 97 PHE CB C 97 38.400 41.594 -3.194 1
1 997 . 18 1 1 A 97 97 PHE N N 97 122.400 128.066 -5.666 1
1 998 . 18 1 1 A 98 98 SER HA H 98 4.380 4.545 -0.165 1
1 1001 . 18 1 1 A 98 98 SER C C 98 176.400 175.841 0.559 1
1 1002 . 18 1 1 A 98 98 SER CA C 98 64.900 60.395 4.505 1
1 1003 . 18 1 1 A 98 98 SER CB C 98 63.600 64.023 -0.423 1
1 1004 . 18 1 1 A 99 99 SER H H 99 9.360 7.905 1.455 1
1 1005 . 18 1 1 A 99 99 SER HA H 99 4.300 4.427 -0.127 1
1 1008 . 18 1 1 A 99 99 SER C C 99 175.800 175.277 0.523 1
1 1009 . 18 1 1 A 99 99 SER CA C 99 60.200 59.810 0.390 1
1 1010 . 18 1 1 A 99 99 SER CB C 99 62.700 62.786 -0.086 1
1 1011 . 18 1 1 A 99 99 SER N N 99 114.100 116.770 -2.670 1
1 1012 . 18 1 1 A 100 100 SER H H 100 8.150 8.154 -0.004 1
1 1013 . 18 1 1 A 100 100 SER HA H 100 4.630 4.520 0.110 1
1 1016 . 18 1 1 A 100 100 SER C C 100 173.500 174.786 -1.286 1
1 1017 . 18 1 1 A 100 100 SER CA C 100 60.400 60.565 -0.165 1
1 1018 . 18 1 1 A 100 100 SER CB C 100 63.600 64.082 -0.482 1
1 1019 . 18 1 1 A 100 100 SER N N 100 118.700 115.601 3.099 1
1 1020 . 18 1 1 A 101 101 LEU H H 101 8.100 7.871 0.229 1
1 1021 . 18 1 1 A 101 101 LEU HA H 101 5.570 4.942 0.628 1
1 1031 . 18 1 1 A 101 101 LEU C C 101 176.000 174.879 1.121 1
1 1032 . 18 1 1 A 101 101 LEU CA C 101 53.400 53.500 -0.100 1
1 1033 . 18 1 1 A 101 101 LEU CB C 101 46.700 45.340 1.360 1
1 1036 . 18 1 1 A 101 101 LEU N N 101 122.000 115.579 6.421 1
1 1037 . 18 1 1 A 102 102 LYS H H 102 8.950 8.432 0.518 1
1 1038 . 18 1 1 A 102 102 LYS HA H 102 4.710 5.176 -0.466 1
1 1045 . 18 1 1 A 102 102 LYS C C 102 174.400 175.008 -0.608 1
1 1046 . 18 1 1 A 102 102 LYS CA C 102 55.400 54.434 0.966 1
1 1047 . 18 1 1 A 102 102 LYS CB C 102 36.500 35.955 0.545 1
1 1051 . 18 1 1 A 102 102 LYS N N 102 119.500 119.154 0.346 1
1 1052 . 18 1 1 A 103 103 PHE H H 103 9.010 8.938 0.072 1
1 1053 . 18 1 1 A 103 103 PHE HA H 103 4.750 4.965 -0.215 1
1 1056 . 18 1 1 A 103 103 PHE C C 103 173.900 173.509 0.391 1
1 1057 . 18 1 1 A 103 103 PHE CA C 103 57.100 55.486 1.614 1
1 1058 . 18 1 1 A 103 103 PHE CB C 103 41.300 42.018 -0.718 1
1 1059 . 18 1 1 A 103 103 PHE N N 103 124.500 123.080 1.420 1
1 1060 . 18 1 1 A 104 104 VAL H H 104 8.550 8.880 -0.330 1
1 1061 . 18 1 1 A 104 104 VAL HA H 104 4.140 4.614 -0.474 1
1 1069 . 18 1 1 A 104 104 VAL C C 104 172.800 173.548 -0.748 1
1 1070 . 18 1 1 A 104 104 VAL CA C 104 58.800 58.541 0.259 1
1 1071 . 18 1 1 A 104 104 VAL CB C 104 32.300 33.102 -0.802 1
1 1074 . 18 1 1 A 104 104 VAL N N 104 132.000 127.888 4.112 1
1 1075 . 18 1 1 A 105 105 PRO HA H 105 4.110 4.172 -0.062 1
1 1082 . 18 1 1 A 105 105 PRO C C 105 176.400 176.710 -0.310 1
1 1083 . 18 1 1 A 105 105 PRO CA C 105 62.400 62.284 0.116 1
1 1084 . 18 1 1 A 105 105 PRO CB C 105 32.400 31.808 0.592 1
1 1087 . 18 1 1 A 106 106 LYS H H 106 7.900 8.173 -0.273 1
1 1088 . 18 1 1 A 106 106 LYS HA H 106 4.170 4.394 -0.224 1
1 1096 . 18 1 1 A 106 106 LYS C C 106 176.900 175.648 1.252 1
1 1097 . 18 1 1 A 106 106 LYS CA C 106 56.700 56.312 0.388 1
1 1098 . 18 1 1 A 106 106 LYS CB C 106 33.500 33.731 -0.231 1
1 1102 . 18 1 1 A 106 106 LYS N N 106 123.200 121.714 1.486 1
1 1103 . 18 1 1 A 107 107 GLY H H 107 8.740 8.322 0.418 1
1 1104 . 18 1 1 A 107 107 GLY HA2 H 107 3.930 4.180 -0.250 1
1 1105 . 18 1 1 A 107 107 GLY HA3 H 107 3.960 4.185 -0.225 1
1 1106 . 18 1 1 A 107 107 GLY C C 107 174.000 174.304 -0.304 1
1 1107 . 18 1 1 A 107 107 GLY CA C 107 45.000 45.596 -0.596 1
1 1108 . 18 1 1 A 107 107 GLY N N 107 113.500 108.832 4.668 1
1 1109 . 18 1 1 A 108 108 LYS H H 108 8.240 8.763 -0.523 1
1 1110 . 18 1 1 A 108 108 LYS HA H 108 4.290 4.004 0.286 1
1 1118 . 18 1 1 A 108 108 LYS C C 108 176.700 178.731 -2.031 1
1 1119 . 18 1 1 A 108 108 LYS CA C 108 56.000 59.670 -3.670 1
1 1120 . 18 1 1 A 108 108 LYS CB C 108 32.700 32.268 0.432 1
1 1124 . 18 1 1 A 108 108 LYS N N 108 121.500 123.245 -1.745 1
1 1125 . 18 1 1 A 109 109 GLU H H 109 8.650 7.942 0.708 1
1 1126 . 18 1 1 A 109 109 GLU HA H 109 4.180 4.067 0.113 1
1 1131 . 18 1 1 A 109 109 GLU C C 109 176.500 176.277 0.223 1
1 1132 . 18 1 1 A 109 109 GLU CA C 109 56.600 59.246 -2.646 1
1 1133 . 18 1 1 A 109 109 GLU CB C 109 29.900 29.278 0.622 1
1 1135 . 18 1 1 A 109 109 GLU N N 109 122.800 119.897 2.903 1
1 1136 . 18 1 1 A 110 110 ALA H H 110 8.400 7.908 0.492 1
1 1137 . 18 1 1 A 110 110 ALA HA H 110 4.190 3.992 0.198 1
1 1141 . 18 1 1 A 110 110 ALA CA C 110 52.500 53.268 -0.768 1
1 1142 . 18 1 1 A 110 110 ALA CB C 110 19.000 17.188 1.812 1
1 1143 . 18 1 1 A 110 110 ALA N N 110 126.100 120.704 5.396 1
1 1144 . 18 1 1 A 111 111 ALA H H 111 8.240 8.192 0.048 1
1 1145 . 18 1 1 A 111 111 ALA HA H 111 4.220 4.164 0.056 1
1 1149 . 18 1 1 A 111 111 ALA C C 111 177.800 176.828 0.972 1
1 1150 . 18 1 1 A 111 111 ALA CA C 111 52.600 54.678 -2.078 1
1 1151 . 18 1 1 A 111 111 ALA CB C 111 19.000 18.091 0.909 1
1 1152 . 18 1 1 A 111 111 ALA N N 111 123.800 111.519 12.281 1
1 1153 . 18 1 1 A 112 112 ALA H H 112 8.220 8.342 -0.122 1
1 1154 . 18 1 1 A 112 112 ALA HA H 112 4.250 3.898 0.352 1
1 1158 . 18 1 1 A 112 112 ALA C C 112 178.100 176.302 1.798 1
1 1159 . 18 1 1 A 112 112 ALA CA C 112 52.600 52.836 -0.236 1
1 1160 . 18 1 1 A 112 112 ALA CB C 112 19.100 17.454 1.646 1
1 1161 . 18 1 1 A 112 112 ALA N N 112 123.600 118.666 4.934 1
1 1162 . 18 1 1 A 113 113 SER H H 113 8.200 7.810 0.390 1
1 1163 . 18 1 1 A 113 113 SER HA H 113 4.360 4.613 -0.253 1
1 1166 . 18 1 1 A 113 113 SER C C 113 174.800 174.161 0.639 1
1 1167 . 18 1 1 A 113 113 SER CA C 113 58.300 58.120 0.180 1
1 1168 . 18 1 1 A 113 113 SER CB C 113 63.500 64.992 -1.492 1
1 1169 . 18 1 1 A 113 113 SER N N 113 115.400 110.007 5.393 1
1 1170 . 18 1 1 A 114 114 GLN H H 114 8.320 8.455 -0.135 1
1 1171 . 18 1 1 A 114 114 GLN HA H 114 4.290 4.705 -0.415 1
1 1178 . 18 1 1 A 114 114 GLN C C 114 176.500 175.738 0.762 1
1 1179 . 18 1 1 A 114 114 GLN CA C 114 55.900 55.398 0.502 1
1 1180 . 18 1 1 A 114 114 GLN CB C 114 29.300 30.892 -1.592 1
1 1182 . 18 1 1 A 114 114 GLN N N 114 122.500 120.368 2.132 1
1 1183 . 18 1 1 A 115 115 GLY H H 115 8.370 8.472 -0.102 1
1 1184 . 18 1 1 A 115 115 GLY HA2 H 115 3.850 4.329 -0.479 1
1 1185 . 18 1 1 A 115 115 GLY HA3 H 115 3.850 4.365 -0.515 1
1 1186 . 18 1 1 A 115 115 GLY C C 115 173.900 171.915 1.985 1
1 1187 . 18 1 1 A 115 115 GLY CA C 115 45.400 45.546 -0.146 1
1 1188 . 18 1 1 A 115 115 GLY N N 115 110.000 108.966 1.034 1
1 1189 . 18 1 1 A 116 116 HIS H H 116 8.290 8.749 -0.459 1
1 1190 . 18 1 1 A 116 116 HIS HA H 116 4.620 5.077 -0.457 1
1 1195 . 18 1 1 A 116 116 HIS C C 116 174.600 172.645 1.955 1
1 1196 . 18 1 1 A 116 116 HIS CA C 116 55.500 54.750 0.750 1
1 1197 . 18 1 1 A 116 116 HIS CB C 116 29.100 31.435 -2.335 1
1 1198 . 18 1 1 A 116 116 HIS N N 116 119.100 115.224 3.876 1
1 1199 . 18 1 1 A 117 117 LEU H H 117 8.220 8.696 -0.476 1
1 1200 . 18 1 1 A 117 117 LEU HA H 117 4.240 4.908 -0.668 1
1 1210 . 18 1 1 A 117 117 LEU C C 117 174.600 175.015 -0.415 1
1 1211 . 18 1 1 A 117 117 LEU CA C 117 55.100 53.663 1.437 1
1 1212 . 18 1 1 A 117 117 LEU CB C 117 42.300 46.880 -4.580 1
1 1216 . 18 1 1 A 117 117 LEU N N 117 124.100 120.955 3.145 1
1 1217 . 18 1 1 A 118 118 GLU H H 118 8.350 8.817 -0.467 1
1 1218 . 18 1 1 A 118 118 GLU HA H 118 4.160 5.002 -0.842 1
1 1223 . 18 1 1 A 118 118 GLU C C 118 176.000 174.563 1.437 1
1 1224 . 18 1 1 A 118 118 GLU CA C 118 56.300 55.205 1.095 1
1 1225 . 18 1 1 A 118 118 GLU CB C 118 30.300 32.243 -1.943 1
1 1227 . 18 1 1 A 118 118 GLU N N 118 122.300 119.620 2.680 1
1 1228 . 18 1 1 A 119 119 HIS H H 119 8.410 8.496 -0.086 1
1 1229 . 18 1 1 A 119 119 HIS HA H 119 4.570 5.154 -0.584 1
1 1232 . 18 1 1 A 119 119 HIS C C 119 174.500 171.905 2.595 1
1 1233 . 18 1 1 A 119 119 HIS CA C 119 55.400 53.398 2.002 1
1 1234 . 18 1 1 A 119 119 HIS CB C 119 29.400 32.577 -3.177 1
1 1235 . 18 1 1 A 119 119 HIS N N 119 120.500 115.749 4.751 1
1 1236 . 18 1 1 A 120 120 HIS H H 120 8.530 8.506 0.024 1
1 1237 . 18 1 1 A 120 120 HIS HA H 120 4.640 5.251 -0.611 1
1 1240 . 18 1 1 A 120 120 HIS C C 120 174.400 174.061 0.339 1
1 1241 . 18 1 1 A 120 120 HIS CA C 120 57.900 54.331 3.569 1
1 1242 . 18 1 1 A 120 120 HIS CB C 120 29.400 34.837 -5.437 1
1 1 . 19 1 1 A 3 3 PHE HA H 3 4.650 5.160 -0.510 1
1 4 . 19 1 1 A 3 3 PHE C C 3 174.500 172.795 1.705 1
1 5 . 19 1 1 A 3 3 PHE CA C 3 57.800 56.533 1.267 1
1 6 . 19 1 1 A 3 3 PHE CB C 3 39.600 40.578 -0.978 1
1 7 . 19 1 1 A 4 4 CYS H H 4 8.270 9.039 -0.769 1
1 8 . 19 1 1 A 4 4 CYS HA H 4 4.380 5.425 -1.045 1
1 11 . 19 1 1 A 4 4 CYS C C 4 173.800 173.823 -0.023 1
1 12 . 19 1 1 A 4 4 CYS CA C 4 58.100 57.245 0.855 1
1 13 . 19 1 1 A 4 4 CYS CB C 4 28.100 29.844 -1.744 1
1 14 . 19 1 1 A 4 4 CYS N N 4 122.600 118.866 3.734 1
1 15 . 19 1 1 A 5 5 SER H H 5 8.250 9.048 -0.798 1
1 16 . 19 1 1 A 5 5 SER HA H 5 4.270 5.283 -1.013 1
1 19 . 19 1 1 A 5 5 SER C C 5 173.700 173.183 0.517 1
1 20 . 19 1 1 A 5 5 SER CA C 5 58.300 57.997 0.303 1
1 21 . 19 1 1 A 5 5 SER CB C 5 63.700 66.038 -2.338 1
1 22 . 19 1 1 A 5 5 SER N N 5 119.600 117.813 1.787 1
1 23 . 19 1 1 A 6 6 PHE H H 6 8.010 9.089 -1.079 1
1 24 . 19 1 1 A 6 6 PHE HA H 6 4.560 5.226 -0.666 1
1 28 . 19 1 1 A 6 6 PHE C C 6 173.700 175.201 -1.501 1
1 29 . 19 1 1 A 6 6 PHE CA C 6 57.600 56.953 0.647 1
1 30 . 19 1 1 A 6 6 PHE CB C 6 39.700 41.573 -1.873 1
1 31 . 19 1 1 A 6 6 PHE N N 6 122.500 125.190 -2.690 1
1 32 . 19 1 1 A 7 7 PHE H H 7 8.230 8.491 -0.261 1
1 33 . 19 1 1 A 7 7 PHE HA H 7 4.530 5.401 -0.871 1
1 36 . 19 1 1 A 7 7 PHE C C 7 175.800 174.669 1.131 1
1 37 . 19 1 1 A 7 7 PHE CA C 7 57.600 56.069 1.531 1
1 38 . 19 1 1 A 7 7 PHE CB C 7 39.700 41.678 -1.978 1
1 39 . 19 1 1 A 7 7 PHE N N 7 123.000 116.898 6.102 1
1 40 . 19 1 1 A 8 8 GLY H H 8 7.870 8.649 -0.779 1
1 41 . 19 1 1 A 8 8 GLY HA2 H 8 3.800 3.909 -0.109 1
1 42 . 19 1 1 A 8 8 GLY HA3 H 8 3.750 4.049 -0.299 1
1 43 . 19 1 1 A 8 8 GLY C C 8 174.300 175.365 -1.065 1
1 44 . 19 1 1 A 8 8 GLY CA C 8 45.300 46.486 -1.186 1
1 45 . 19 1 1 A 8 8 GLY N N 8 111.200 110.152 1.048 1
1 46 . 19 1 1 A 9 9 GLY H H 9 7.930 8.125 -0.195 1
1 47 . 19 1 1 A 9 9 GLY HA2 H 9 3.920 3.963 -0.043 1
1 48 . 19 1 1 A 9 9 GLY HA3 H 9 3.850 3.983 -0.133 1
1 49 . 19 1 1 A 9 9 GLY C C 9 175.200 173.747 1.453 1
1 50 . 19 1 1 A 9 9 GLY CA C 9 45.100 45.825 -0.725 1
1 51 . 19 1 1 A 9 9 GLY N N 9 108.400 107.332 1.068 1
1 52 . 19 1 1 A 10 10 GLU H H 10 8.400 8.213 0.187 1
1 53 . 19 1 1 A 10 10 GLU HA H 10 4.360 4.655 -0.295 1
1 58 . 19 1 1 A 10 10 GLU C C 10 178.400 176.007 2.393 1
1 59 . 19 1 1 A 10 10 GLU CA C 10 54.700 54.689 0.011 1
1 60 . 19 1 1 A 10 10 GLU CB C 10 36.700 33.010 3.690 1
1 62 . 19 1 1 A 10 10 GLU N N 10 122.600 120.212 2.388 1
1 63 . 19 1 1 A 11 11 VAL H H 11 7.940 8.092 -0.152 1
1 64 . 19 1 1 A 11 11 VAL HA H 11 3.680 4.291 -0.611 1
1 72 . 19 1 1 A 11 11 VAL C C 11 176.600 176.206 0.394 1
1 73 . 19 1 1 A 11 11 VAL CA C 11 63.800 61.100 2.700 1
1 74 . 19 1 1 A 11 11 VAL CB C 11 31.200 33.382 -2.182 1
1 77 . 19 1 1 A 11 11 VAL N N 11 120.300 121.107 -0.807 1
1 78 . 19 1 1 A 12 12 PHE H H 12 7.730 7.639 0.091 1
1 79 . 19 1 1 A 12 12 PHE HA H 12 5.200 4.565 0.635 1
1 83 . 19 1 1 A 12 12 PHE C C 12 177.100 175.992 1.108 1
1 84 . 19 1 1 A 12 12 PHE CA C 12 55.700 57.334 -1.634 1
1 85 . 19 1 1 A 12 12 PHE CB C 12 38.200 38.889 -0.689 1
1 86 . 19 1 1 A 12 12 PHE N N 12 113.700 122.132 -8.432 1
1 87 . 19 1 1 A 13 13 GLN H H 13 8.080 7.810 0.270 1
1 88 . 19 1 1 A 13 13 GLN HA H 13 3.270 3.907 -0.637 1
1 95 . 19 1 1 A 13 13 GLN C C 13 175.400 177.289 -1.889 1
1 96 . 19 1 1 A 13 13 GLN CA C 13 62.100 58.623 3.477 1
1 97 . 19 1 1 A 13 13 GLN CB C 13 27.100 28.150 -1.050 1
1 99 . 19 1 1 A 13 13 GLN N N 13 126.400 120.251 6.149 1
1 100 . 19 1 1 A 14 14 ASN H H 14 8.580 7.657 0.923 1
1 101 . 19 1 1 A 14 14 ASN HA H 14 5.010 4.396 0.614 1
1 106 . 19 1 1 A 14 14 ASN C C 14 173.000 175.428 -2.428 1
1 107 . 19 1 1 A 14 14 ASN CA C 14 51.500 54.483 -2.983 1
1 108 . 19 1 1 A 14 14 ASN CB C 14 37.900 39.283 -1.383 1
1 109 . 19 1 1 A 14 14 ASN N N 14 115.900 116.056 -0.156 1
1 111 . 19 1 1 A 15 15 HIS H H 15 6.070 7.363 -1.293 1
1 112 . 19 1 1 A 15 15 HIS HA H 15 4.370 4.525 -0.155 1
1 117 . 19 1 1 A 15 15 HIS C C 15 174.400 175.033 -0.633 1
1 118 . 19 1 1 A 15 15 HIS CA C 15 56.600 55.410 1.190 1
1 119 . 19 1 1 A 15 15 HIS CB C 15 33.400 29.815 3.585 1
1 120 . 19 1 1 A 15 15 HIS N N 15 120.500 117.304 3.196 1
1 121 . 19 1 1 A 16 16 PHE H H 16 8.880 8.965 -0.085 1
1 122 . 19 1 1 A 16 16 PHE HA H 16 4.870 4.611 0.259 1
1 125 . 19 1 1 A 16 16 PHE C C 16 174.300 175.110 -0.810 1
1 126 . 19 1 1 A 16 16 PHE CA C 16 57.100 56.318 0.782 1
1 127 . 19 1 1 A 16 16 PHE CB C 16 39.700 36.751 2.949 1
1 128 . 19 1 1 A 16 16 PHE N N 16 127.200 125.073 2.127 1
1 129 . 19 1 1 A 17 17 GLU H H 17 5.780 7.811 -2.031 1
1 130 . 19 1 1 A 17 17 GLU HA H 17 4.500 4.738 -0.238 1
1 135 . 19 1 1 A 17 17 GLU C C 17 174.300 174.326 -0.026 1
1 136 . 19 1 1 A 17 17 GLU CA C 17 53.500 54.025 -0.525 1
1 137 . 19 1 1 A 17 17 GLU CB C 17 30.700 29.503 1.197 1
1 139 . 19 1 1 A 17 17 GLU N N 17 119.900 120.206 -0.306 1
1 140 . 19 1 1 A 18 18 PRO HA H 18 4.630 4.780 -0.150 1
1 147 . 19 1 1 A 18 18 PRO C C 18 178.100 176.118 1.982 1
1 148 . 19 1 1 A 18 18 PRO CA C 18 62.700 63.050 -0.350 1
1 149 . 19 1 1 A 18 18 PRO CB C 18 31.400 31.990 -0.590 1
1 152 . 19 1 1 A 19 19 GLY H H 19 8.820 8.233 0.587 1
1 153 . 19 1 1 A 19 19 GLY HA2 H 19 4.500 4.053 0.447 1
1 154 . 19 1 1 A 19 19 GLY HA3 H 19 3.630 4.096 -0.466 1
1 155 . 19 1 1 A 19 19 GLY C C 19 171.000 171.310 -0.310 1
1 156 . 19 1 1 A 19 19 GLY CA C 19 46.200 45.426 0.774 1
1 157 . 19 1 1 A 19 19 GLY N N 19 111.300 108.253 3.047 1
1 158 . 19 1 1 A 20 20 VAL H H 20 8.070 7.397 0.673 1
1 159 . 19 1 1 A 20 20 VAL HA H 20 4.750 4.914 -0.164 1
1 167 . 19 1 1 A 20 20 VAL C C 20 172.300 173.022 -0.722 1
1 168 . 19 1 1 A 20 20 VAL CA C 20 60.200 59.267 0.933 1
1 169 . 19 1 1 A 20 20 VAL CB C 20 36.100 35.165 0.935 1
1 172 . 19 1 1 A 20 20 VAL N N 20 120.700 117.854 2.846 1
1 173 . 19 1 1 A 21 21 TYR H H 21 9.560 8.613 0.947 1
1 174 . 19 1 1 A 21 21 TYR HA H 21 5.230 5.384 -0.154 1
1 177 . 19 1 1 A 21 21 TYR C C 21 175.600 174.848 0.752 1
1 178 . 19 1 1 A 21 21 TYR CA C 21 56.800 55.714 1.086 1
1 179 . 19 1 1 A 21 21 TYR CB C 21 39.200 43.078 -3.878 1
1 180 . 19 1 1 A 21 21 TYR N N 21 123.200 122.090 1.110 1
1 181 . 19 1 1 A 22 22 VAL H H 22 9.400 8.699 0.701 1
1 182 . 19 1 1 A 22 22 VAL HA H 22 4.950 5.123 -0.173 1
1 190 . 19 1 1 A 22 22 VAL C C 22 174.000 174.376 -0.376 1
1 191 . 19 1 1 A 22 22 VAL CA C 22 57.100 59.287 -2.187 1
1 192 . 19 1 1 A 22 22 VAL CB C 22 33.900 35.925 -2.025 1
1 195 . 19 1 1 A 22 22 VAL N N 22 119.100 116.220 2.880 1
1 196 . 19 1 1 A 23 23 CYS H H 23 9.020 8.775 0.245 1
1 197 . 19 1 1 A 23 23 CYS HA H 23 4.260 4.706 -0.446 1
1 200 . 19 1 1 A 23 23 CYS C C 23 178.700 175.802 2.898 1
1 201 . 19 1 1 A 23 23 CYS CA C 23 60.600 59.249 1.351 1
1 202 . 19 1 1 A 23 23 CYS CB C 23 31.700 28.471 3.229 1
1 203 . 19 1 1 A 23 23 CYS N N 23 123.800 122.263 1.537 1
1 204 . 19 1 1 A 24 24 ALA H H 24 8.760 9.135 -0.375 1
1 205 . 19 1 1 A 24 24 ALA HA H 24 3.840 4.044 -0.204 1
1 209 . 19 1 1 A 24 24 ALA C C 24 177.500 178.758 -1.258 1
1 210 . 19 1 1 A 24 24 ALA CA C 24 55.000 54.978 0.022 1
1 211 . 19 1 1 A 24 24 ALA CB C 24 18.700 18.346 0.354 1
1 212 . 19 1 1 A 24 24 ALA N N 24 131.900 128.917 2.983 1
1 213 . 19 1 1 A 25 25 LYS H H 25 9.200 7.723 1.477 1
1 214 . 19 1 1 A 25 25 LYS HA H 25 4.380 4.442 -0.062 1
1 222 . 19 1 1 A 25 25 LYS C C 25 178.100 178.762 -0.662 1
1 223 . 19 1 1 A 25 25 LYS CA C 25 57.900 58.300 -0.400 1
1 224 . 19 1 1 A 25 25 LYS CB C 25 33.500 33.548 -0.048 1
1 228 . 19 1 1 A 25 25 LYS N N 25 120.000 116.330 3.670 1
1 229 . 19 1 1 A 26 26 CYS H H 26 8.730 8.041 0.689 1
1 230 . 19 1 1 A 26 26 CYS HA H 26 5.000 4.273 0.727 1
1 233 . 19 1 1 A 26 26 CYS C C 26 177.000 175.174 1.826 1
1 234 . 19 1 1 A 26 26 CYS CA C 26 59.400 62.233 -2.833 1
1 235 . 19 1 1 A 26 26 CYS CB C 26 32.900 27.419 5.481 1
1 236 . 19 1 1 A 26 26 CYS N N 26 120.900 118.116 2.784 1
1 237 . 19 1 1 A 27 27 SER H H 27 8.170 8.148 0.022 1
1 238 . 19 1 1 A 27 27 SER HA H 27 4.140 4.397 -0.257 1
1 241 . 19 1 1 A 27 27 SER C C 27 174.800 173.861 0.939 1
1 242 . 19 1 1 A 27 27 SER CA C 27 60.900 59.398 1.502 1
1 243 . 19 1 1 A 27 27 SER CB C 27 61.600 61.107 0.493 1
1 244 . 19 1 1 A 27 27 SER N N 27 115.800 115.521 0.279 1
1 245 . 19 1 1 A 28 28 TYR H H 28 9.010 7.880 1.130 1
1 246 . 19 1 1 A 28 28 TYR HA H 28 4.420 4.812 -0.392 1
1 249 . 19 1 1 A 28 28 TYR C C 28 176.600 174.866 1.734 1
1 250 . 19 1 1 A 28 28 TYR CA C 28 59.300 56.953 2.347 1
1 251 . 19 1 1 A 28 28 TYR CB C 28 39.600 39.469 0.131 1
1 252 . 19 1 1 A 28 28 TYR N N 28 127.100 122.996 4.104 1
1 253 . 19 1 1 A 29 29 GLU H H 29 7.730 8.698 -0.968 1
1 254 . 19 1 1 A 29 29 GLU HA H 29 3.670 4.979 -1.309 1
1 259 . 19 1 1 A 29 29 GLU C C 29 174.900 176.743 -1.843 1
1 260 . 19 1 1 A 29 29 GLU CA C 29 58.700 56.857 1.843 1
1 261 . 19 1 1 A 29 29 GLU CB C 29 29.800 29.943 -0.143 1
1 263 . 19 1 1 A 29 29 GLU N N 29 124.500 127.347 -2.847 1
1 264 . 19 1 1 A 30 30 LEU H H 30 7.940 8.911 -0.971 1
1 265 . 19 1 1 A 30 30 LEU HA H 30 4.140 5.163 -1.023 1
1 274 . 19 1 1 A 30 30 LEU C C 30 175.400 175.553 -0.153 1
1 275 . 19 1 1 A 30 30 LEU CA C 30 56.200 53.844 2.356 1
1 276 . 19 1 1 A 30 30 LEU CB C 30 46.700 45.597 1.103 1
1 277 . 19 1 1 A 30 30 LEU N N 30 121.800 121.720 0.080 1
1 278 . 19 1 1 A 31 31 PHE H H 31 7.880 8.778 -0.898 1
1 279 . 19 1 1 A 31 31 PHE HA H 31 4.720 4.760 -0.040 1
1 282 . 19 1 1 A 31 31 PHE C C 31 174.600 173.548 1.052 1
1 283 . 19 1 1 A 31 31 PHE CA C 31 56.600 58.142 -1.542 1
1 284 . 19 1 1 A 31 31 PHE CB C 31 45.300 42.220 3.080 1
1 285 . 19 1 1 A 31 31 PHE N N 31 113.300 122.160 -8.860 1
1 286 . 19 1 1 A 32 32 SER H H 32 10.030 8.573 1.457 1
1 287 . 19 1 1 A 32 32 SER HA H 32 4.860 4.497 0.363 1
1 290 . 19 1 1 A 32 32 SER CA C 32 57.000 57.616 -0.616 1
1 291 . 19 1 1 A 32 32 SER CB C 32 63.700 64.408 -0.708 1
1 292 . 19 1 1 A 32 32 SER N N 32 118.700 123.878 -5.178 1
1 293 . 19 1 1 A 33 33 SER H H 33 8.990 8.664 0.326 1
1 294 . 19 1 1 A 33 33 SER HA H 33 4.840 4.173 0.667 1
1 297 . 19 1 1 A 33 33 SER C C 33 177.300 176.353 0.947 1
1 298 . 19 1 1 A 33 33 SER CA C 33 63.700 60.438 3.262 1
1 299 . 19 1 1 A 33 33 SER CB C 33 63.700 63.280 0.420 1
1 300 . 19 1 1 A 33 33 SER N N 33 123.100 118.365 4.735 1
1 301 . 19 1 1 A 34 34 HIS HA H 34 4.710 4.363 0.347 1
1 304 . 19 1 1 A 34 34 HIS C C 34 175.800 177.684 -1.884 1
1 305 . 19 1 1 A 34 34 HIS CA C 34 57.900 58.799 -0.899 1
1 306 . 19 1 1 A 34 34 HIS CB C 34 28.600 28.993 -0.393 1
1 307 . 19 1 1 A 35 35 SER H H 35 7.960 7.521 0.439 1
1 308 . 19 1 1 A 35 35 SER HA H 35 4.820 4.087 0.733 1
1 311 . 19 1 1 A 35 35 SER C C 35 173.200 173.964 -0.764 1
1 312 . 19 1 1 A 35 35 SER CA C 35 58.100 60.168 -2.068 1
1 313 . 19 1 1 A 35 35 SER CB C 35 65.300 62.989 2.311 1
1 314 . 19 1 1 A 35 35 SER N N 35 114.500 112.963 1.537 1
1 315 . 19 1 1 A 36 36 LYS H H 36 7.630 7.516 0.114 1
1 316 . 19 1 1 A 36 36 LYS HA H 36 4.890 4.845 0.045 1
1 322 . 19 1 1 A 36 36 LYS C C 36 176.100 174.178 1.922 1
1 323 . 19 1 1 A 36 36 LYS CA C 36 55.400 54.456 0.944 1
1 324 . 19 1 1 A 36 36 LYS CB C 36 35.400 36.038 -0.638 1
1 328 . 19 1 1 A 36 36 LYS N N 36 126.900 118.121 8.779 1
1 329 . 19 1 1 A 37 37 TYR H H 37 8.440 8.746 -0.306 1
1 330 . 19 1 1 A 37 37 TYR HA H 37 5.100 5.169 -0.069 1
1 333 . 19 1 1 A 37 37 TYR C C 37 172.800 175.250 -2.450 1
1 334 . 19 1 1 A 37 37 TYR CA C 37 55.400 56.952 -1.552 1
1 335 . 19 1 1 A 37 37 TYR CB C 37 41.000 43.312 -2.312 1
1 336 . 19 1 1 A 37 37 TYR N N 37 124.200 117.612 6.588 1
1 337 . 19 1 1 A 38 38 ALA H H 38 8.590 8.621 -0.031 1
1 338 . 19 1 1 A 38 38 ALA HA H 38 4.630 4.958 -0.328 1
1 342 . 19 1 1 A 38 38 ALA C C 38 175.900 176.818 -0.918 1
1 343 . 19 1 1 A 38 38 ALA CA C 38 52.500 51.153 1.347 1
1 344 . 19 1 1 A 38 38 ALA CB C 38 18.300 20.463 -2.163 1
1 345 . 19 1 1 A 38 38 ALA N N 38 125.100 124.561 0.539 1
1 346 . 19 1 1 A 39 39 HIS H H 39 8.080 8.948 -0.868 1
1 347 . 19 1 1 A 39 39 HIS HA H 39 4.620 5.065 -0.445 1
1 352 . 19 1 1 A 39 39 HIS C C 39 174.100 172.844 1.256 1
1 353 . 19 1 1 A 39 39 HIS CA C 39 57.000 55.866 1.134 1
1 354 . 19 1 1 A 39 39 HIS CB C 39 34.600 33.598 1.002 1
1 355 . 19 1 1 A 39 39 HIS N N 39 125.600 121.672 3.928 1
1 356 . 19 1 1 A 40 40 SER H H 40 6.860 8.442 -1.582 1
1 357 . 19 1 1 A 40 40 SER HA H 40 4.060 4.993 -0.933 1
1 360 . 19 1 1 A 40 40 SER C C 40 174.900 173.156 1.744 1
1 361 . 19 1 1 A 40 40 SER CA C 40 58.800 57.584 1.216 1
1 362 . 19 1 1 A 40 40 SER CB C 40 62.700 64.031 -1.331 1
1 363 . 19 1 1 A 40 40 SER N N 40 118.700 121.352 -2.652 1
1 364 . 19 1 1 A 41 41 SER H H 41 9.140 8.957 0.183 1
1 365 . 19 1 1 A 41 41 SER HA H 41 4.480 5.016 -0.536 1
1 368 . 19 1 1 A 41 41 SER C C 41 173.600 171.346 2.254 1
1 369 . 19 1 1 A 41 41 SER CA C 41 57.800 56.667 1.133 1
1 370 . 19 1 1 A 41 41 SER CB C 41 63.600 65.359 -1.759 1
1 371 . 19 1 1 A 41 41 SER N N 41 122.500 120.115 2.385 1
1 372 . 19 1 1 A 42 42 PRO HA H 42 4.040 4.100 -0.060 1
1 379 . 19 1 1 A 42 42 PRO C C 42 174.900 176.702 -1.802 1
1 380 . 19 1 1 A 42 42 PRO CA C 42 63.700 63.258 0.442 1
1 381 . 19 1 1 A 42 42 PRO CB C 42 31.500 31.838 -0.338 1
1 384 . 19 1 1 A 43 43 TRP H H 43 6.590 7.871 -1.281 1
1 385 . 19 1 1 A 43 43 TRP HA H 43 4.850 4.103 0.747 1
1 394 . 19 1 1 A 43 43 TRP C C 43 174.100 174.972 -0.872 1
1 395 . 19 1 1 A 43 43 TRP CA C 43 57.300 57.645 -0.345 1
1 396 . 19 1 1 A 43 43 TRP CB C 43 29.500 27.492 2.008 1
1 397 . 19 1 1 A 43 43 TRP N N 43 113.900 117.566 -3.666 1
1 399 . 19 1 1 A 44 44 PRO HA H 44 3.810 4.616 -0.806 1
1 405 . 19 1 1 A 44 44 PRO C C 44 174.800 175.596 -0.796 1
1 406 . 19 1 1 A 44 44 PRO CA C 44 63.200 62.470 0.730 1
1 407 . 19 1 1 A 44 44 PRO CB C 44 32.200 33.139 -0.939 1
1 410 . 19 1 1 A 45 45 ALA H H 45 7.850 8.189 -0.339 1
1 411 . 19 1 1 A 45 45 ALA HA H 45 5.260 4.670 0.590 1
1 415 . 19 1 1 A 45 45 ALA C C 45 174.800 174.925 -0.125 1
1 416 . 19 1 1 A 45 45 ALA CA C 45 50.100 50.943 -0.843 1
1 417 . 19 1 1 A 45 45 ALA CB C 45 20.800 23.501 -2.701 1
1 418 . 19 1 1 A 45 45 ALA N N 45 126.700 120.190 6.510 1
1 419 . 19 1 1 A 46 46 PHE H H 46 8.080 8.594 -0.514 1
1 420 . 19 1 1 A 46 46 PHE HA H 46 5.860 5.030 0.830 1
1 424 . 19 1 1 A 46 46 PHE C C 46 177.800 175.467 2.333 1
1 425 . 19 1 1 A 46 46 PHE CA C 46 54.800 56.643 -1.843 1
1 426 . 19 1 1 A 46 46 PHE CB C 46 44.500 43.292 1.208 1
1 427 . 19 1 1 A 46 46 PHE N N 46 115.600 116.034 -0.434 1
1 428 . 19 1 1 A 47 47 THR H H 47 9.190 8.344 0.846 1
1 429 . 19 1 1 A 47 47 THR HA H 47 5.220 4.655 0.565 1
1 434 . 19 1 1 A 47 47 THR C C 47 175.000 175.144 -0.144 1
1 435 . 19 1 1 A 47 47 THR CA C 47 63.000 62.302 0.698 1
1 436 . 19 1 1 A 47 47 THR CB C 47 70.500 69.823 0.677 1
1 438 . 19 1 1 A 47 47 THR N N 47 109.900 112.279 -2.379 1
1 439 . 19 1 1 A 48 48 GLU H H 48 7.320 7.659 -0.339 1
1 440 . 19 1 1 A 48 48 GLU HA H 48 4.920 4.666 0.254 1
1 445 . 19 1 1 A 48 48 GLU C C 48 175.400 174.916 0.484 1
1 446 . 19 1 1 A 48 48 GLU CA C 48 55.200 54.358 0.842 1
1 447 . 19 1 1 A 48 48 GLU CB C 48 31.900 32.983 -1.083 1
1 449 . 19 1 1 A 48 48 GLU N N 48 115.400 120.153 -4.753 1
1 450 . 19 1 1 A 49 49 THR H H 49 8.150 8.109 0.041 1
1 451 . 19 1 1 A 49 49 THR HA H 49 4.090 4.680 -0.590 1
1 456 . 19 1 1 A 49 49 THR C C 49 175.800 176.096 -0.296 1
1 457 . 19 1 1 A 49 49 THR CA C 49 60.000 59.442 0.558 1
1 458 . 19 1 1 A 49 49 THR CB C 49 70.400 71.976 -1.576 1
1 460 . 19 1 1 A 49 49 THR N N 49 111.400 111.468 -0.068 1
1 461 . 19 1 1 A 50 50 ILE H H 50 7.720 8.259 -0.539 1
1 462 . 19 1 1 A 50 50 ILE HA H 50 3.630 3.928 -0.298 1
1 472 . 19 1 1 A 50 50 ILE C C 50 174.500 176.659 -2.159 1
1 473 . 19 1 1 A 50 50 ILE CA C 50 64.100 63.709 0.391 1
1 474 . 19 1 1 A 50 50 ILE CB C 50 38.700 38.488 0.212 1
1 478 . 19 1 1 A 50 50 ILE N N 50 121.700 121.683 0.017 1
1 479 . 19 1 1 A 51 51 HIS H H 51 7.400 7.578 -0.178 1
1 480 . 19 1 1 A 51 51 HIS HA H 51 5.300 4.827 0.473 1
1 484 . 19 1 1 A 51 51 HIS C C 51 175.500 172.712 2.788 1
1 485 . 19 1 1 A 51 51 HIS CA C 51 51.800 54.803 -3.003 1
1 486 . 19 1 1 A 51 51 HIS CB C 51 29.700 30.955 -1.255 1
1 487 . 19 1 1 A 51 51 HIS N N 51 115.500 116.836 -1.336 1
1 488 . 19 1 1 A 52 52 PRO HA H 52 4.350 4.427 -0.077 1
1 495 . 19 1 1 A 52 52 PRO C C 52 176.900 176.300 0.600 1
1 496 . 19 1 1 A 52 52 PRO CA C 52 64.800 63.118 1.682 1
1 497 . 19 1 1 A 52 52 PRO CB C 52 31.300 32.121 -0.821 1
1 500 . 19 1 1 A 53 53 ASP H H 53 8.070 8.398 -0.328 1
1 501 . 19 1 1 A 53 53 ASP HA H 53 4.760 4.739 0.021 1
1 504 . 19 1 1 A 53 53 ASP C C 53 176.900 176.971 -0.071 1
1 505 . 19 1 1 A 53 53 ASP CA C 53 52.100 54.916 -2.816 1
1 506 . 19 1 1 A 53 53 ASP CB C 53 39.700 42.091 -2.391 1
1 507 . 19 1 1 A 53 53 ASP N N 53 114.300 121.498 -7.198 1
1 508 . 19 1 1 A 54 54 SER H H 54 7.720 7.929 -0.209 1
1 509 . 19 1 1 A 54 54 SER HA H 54 4.040 4.740 -0.700 1
1 512 . 19 1 1 A 54 54 SER C C 54 173.200 173.899 -0.699 1
1 513 . 19 1 1 A 54 54 SER CA C 54 64.100 58.119 5.981 1
1 514 . 19 1 1 A 54 54 SER CB C 54 64.200 65.272 -1.072 1
1 515 . 19 1 1 A 54 54 SER N N 54 116.300 113.002 3.298 1
1 516 . 19 1 1 A 55 55 VAL H H 55 7.360 7.507 -0.147 1
1 517 . 19 1 1 A 55 55 VAL HA H 55 5.280 3.999 1.281 1
1 525 . 19 1 1 A 55 55 VAL C C 55 175.700 175.288 0.412 1
1 526 . 19 1 1 A 55 55 VAL CA C 55 57.300 62.284 -4.984 1
1 527 . 19 1 1 A 55 55 VAL CB C 55 34.800 32.180 2.620 1
1 530 . 19 1 1 A 55 55 VAL N N 55 105.200 120.214 -15.014 1
1 531 . 19 1 1 A 56 56 THR H H 56 8.780 8.185 0.595 1
1 532 . 19 1 1 A 56 56 THR HA H 56 4.530 5.005 -0.475 1
1 537 . 19 1 1 A 56 56 THR C C 56 173.800 172.724 1.076 1
1 538 . 19 1 1 A 56 56 THR CA C 56 60.500 60.185 0.315 1
1 539 . 19 1 1 A 56 56 THR CB C 56 70.400 71.883 -1.483 1
1 541 . 19 1 1 A 56 56 THR N N 56 116.000 118.284 -2.284 1
1 542 . 19 1 1 A 57 57 LYS H H 57 8.610 8.911 -0.301 1
1 543 . 19 1 1 A 57 57 LYS HA H 57 5.490 5.249 0.241 1
1 550 . 19 1 1 A 57 57 LYS C C 57 176.000 174.791 1.209 1
1 551 . 19 1 1 A 57 57 LYS CA C 57 54.600 54.107 0.493 1
1 552 . 19 1 1 A 57 57 LYS CB C 57 36.000 36.842 -0.842 1
1 556 . 19 1 1 A 57 57 LYS N N 57 121.900 124.632 -2.732 1
1 557 . 19 1 1 A 58 58 CYS H H 58 8.610 9.034 -0.424 1
1 558 . 19 1 1 A 58 58 CYS HA H 58 5.100 5.014 0.086 1
1 561 . 19 1 1 A 58 58 CYS CA C 58 55.200 56.522 -1.322 1
1 562 . 19 1 1 A 58 58 CYS CB C 58 29.700 30.659 -0.959 1
1 563 . 19 1 1 A 58 58 CYS N N 58 120.600 117.503 3.097 1
1 564 . 19 1 1 A 59 59 PRO HA H 59 4.590 4.503 0.087 1
1 571 . 19 1 1 A 59 59 PRO C C 59 176.600 176.581 0.019 1
1 572 . 19 1 1 A 59 59 PRO CA C 59 63.700 62.321 1.379 1
1 573 . 19 1 1 A 59 59 PRO CB C 59 32.100 32.047 0.053 1
1 576 . 19 1 1 A 60 60 GLU H H 60 8.630 8.225 0.405 1
1 577 . 19 1 1 A 60 60 GLU HA H 60 4.450 4.426 0.024 1
1 582 . 19 1 1 A 60 60 GLU C C 60 176.900 177.046 -0.146 1
1 583 . 19 1 1 A 60 60 GLU CA C 60 55.700 56.356 -0.656 1
1 584 . 19 1 1 A 60 60 GLU CB C 60 30.500 30.394 0.106 1
1 586 . 19 1 1 A 60 60 GLU N N 60 123.900 120.924 2.976 1
1 587 . 19 1 1 A 61 61 LYS H H 61 8.780 8.824 -0.044 1
1 588 . 19 1 1 A 61 61 LYS HA H 61 3.930 4.306 -0.376 1
1 596 . 19 1 1 A 61 61 LYS C C 61 177.100 177.448 -0.348 1
1 597 . 19 1 1 A 61 61 LYS CA C 61 58.300 57.757 0.543 1
1 598 . 19 1 1 A 61 61 LYS CB C 61 31.900 33.366 -1.466 1
1 602 . 19 1 1 A 61 61 LYS N N 61 127.000 123.292 3.708 1
1 603 . 19 1 1 A 62 62 ASN H H 62 8.870 8.207 0.663 1
1 604 . 19 1 1 A 62 62 ASN HA H 62 4.520 4.818 -0.298 1
1 609 . 19 1 1 A 62 62 ASN C C 62 174.400 175.123 -0.723 1
1 610 . 19 1 1 A 62 62 ASN CA C 62 54.000 52.401 1.599 1
1 611 . 19 1 1 A 62 62 ASN CB C 62 38.000 38.280 -0.280 1
1 612 . 19 1 1 A 62 62 ASN N N 62 117.000 113.428 3.572 1
1 613 . 19 1 1 A 63 63 ARG H H 63 7.430 7.689 -0.259 1
1 614 . 19 1 1 A 63 63 ARG HA H 63 4.810 4.789 0.021 1
1 622 . 19 1 1 A 63 63 ARG C C 63 172.300 174.415 -2.115 1
1 623 . 19 1 1 A 63 63 ARG CA C 63 53.800 53.660 0.140 1
1 624 . 19 1 1 A 63 63 ARG CB C 63 31.300 30.914 0.386 1
1 627 . 19 1 1 A 63 63 ARG N N 63 119.200 119.549 -0.349 1
1 629 . 19 1 1 A 64 64 PRO HA H 64 4.350 4.490 -0.140 1
1 636 . 19 1 1 A 64 64 PRO C C 64 176.900 175.987 0.913 1
1 637 . 19 1 1 A 64 64 PRO CA C 64 64.200 63.366 0.834 1
1 638 . 19 1 1 A 64 64 PRO CB C 64 31.800 30.618 1.182 1
1 641 . 19 1 1 A 65 65 GLU H H 65 9.210 8.422 0.788 1
1 642 . 19 1 1 A 65 65 GLU HA H 65 4.280 4.439 -0.159 1
1 647 . 19 1 1 A 65 65 GLU C C 65 174.300 174.952 -0.652 1
1 648 . 19 1 1 A 65 65 GLU CA C 65 56.600 55.882 0.718 1
1 649 . 19 1 1 A 65 65 GLU CB C 65 28.200 31.349 -3.149 1
1 651 . 19 1 1 A 65 65 GLU N N 65 117.000 119.057 -2.057 1
1 652 . 19 1 1 A 66 66 ALA H H 66 8.040 7.164 0.876 1
1 653 . 19 1 1 A 66 66 ALA HA H 66 5.230 4.225 1.005 1
1 657 . 19 1 1 A 66 66 ALA C C 66 174.900 175.126 -0.226 1
1 658 . 19 1 1 A 66 66 ALA CA C 66 50.300 51.185 -0.885 1
1 659 . 19 1 1 A 66 66 ALA CB C 66 22.200 21.927 0.273 1
1 660 . 19 1 1 A 66 66 ALA N N 66 124.800 120.186 4.614 1
1 661 . 19 1 1 A 67 67 LEU H H 67 8.710 8.309 0.401 1
1 662 . 19 1 1 A 67 67 LEU HA H 67 4.800 5.233 -0.433 1
1 672 . 19 1 1 A 67 67 LEU C C 67 177.200 175.054 2.146 1
1 673 . 19 1 1 A 67 67 LEU CA C 67 52.800 52.426 0.374 1
1 674 . 19 1 1 A 67 67 LEU CB C 67 43.200 46.119 -2.919 1
1 678 . 19 1 1 A 67 67 LEU N N 67 120.400 115.057 5.343 1
1 679 . 19 1 1 A 68 68 LYS H H 68 9.180 9.045 0.135 1
1 680 . 19 1 1 A 68 68 LYS HA H 68 4.050 4.676 -0.626 1
1 689 . 19 1 1 A 68 68 LYS C C 68 176.900 175.017 1.883 1
1 690 . 19 1 1 A 68 68 LYS CA C 68 57.100 54.293 2.807 1
1 691 . 19 1 1 A 68 68 LYS CB C 68 32.600 35.237 -2.637 1
1 695 . 19 1 1 A 68 68 LYS N N 68 125.300 118.465 6.835 1
1 696 . 19 1 1 A 69 69 VAL H H 69 8.150 8.692 -0.542 1
1 697 . 19 1 1 A 69 69 VAL HA H 69 5.240 4.834 0.406 1
1 705 . 19 1 1 A 69 69 VAL C C 69 174.900 174.459 0.441 1
1 706 . 19 1 1 A 69 69 VAL CA C 69 59.900 60.820 -0.920 1
1 707 . 19 1 1 A 69 69 VAL CB C 69 34.700 33.956 0.744 1
1 710 . 19 1 1 A 69 69 VAL N N 69 121.600 124.550 -2.950 1
1 711 . 19 1 1 A 70 70 SER H H 70 8.610 8.488 0.122 1
1 712 . 19 1 1 A 70 70 SER HA H 70 5.210 4.878 0.332 1
1 715 . 19 1 1 A 70 70 SER C C 70 171.900 172.355 -0.455 1
1 716 . 19 1 1 A 70 70 SER CA C 70 56.600 56.861 -0.261 1
1 717 . 19 1 1 A 70 70 SER CB C 70 65.600 65.971 -0.371 1
1 718 . 19 1 1 A 70 70 SER N N 70 120.600 118.816 1.784 1
1 719 . 19 1 1 A 71 71 CYS H H 71 9.280 8.535 0.745 1
1 720 . 19 1 1 A 71 71 CYS HA H 71 4.130 4.486 -0.356 1
1 723 . 19 1 1 A 71 71 CYS C C 71 178.600 175.182 3.418 1
1 724 . 19 1 1 A 71 71 CYS CA C 71 61.600 58.056 3.544 1
1 725 . 19 1 1 A 71 71 CYS CB C 71 31.300 26.392 4.908 1
1 726 . 19 1 1 A 71 71 CYS N N 71 126.700 121.789 4.911 1
1 727 . 19 1 1 A 72 72 GLY H H 72 9.140 8.298 0.842 1
1 728 . 19 1 1 A 72 72 GLY HA2 H 72 3.760 3.816 -0.056 1
1 729 . 19 1 1 A 72 72 GLY HA3 H 72 3.670 3.832 -0.162 1
1 730 . 19 1 1 A 72 72 GLY C C 72 172.500 175.790 -3.290 1
1 731 . 19 1 1 A 72 72 GLY CA C 72 46.200 47.263 -1.063 1
1 732 . 19 1 1 A 72 72 GLY N N 72 120.100 113.695 6.405 1
1 733 . 19 1 1 A 73 73 LYS H H 73 9.090 7.955 1.135 1
1 734 . 19 1 1 A 73 73 LYS HA H 73 4.210 4.039 0.171 1
1 742 . 19 1 1 A 73 73 LYS C C 73 177.600 178.054 -0.454 1
1 743 . 19 1 1 A 73 73 LYS CA C 73 56.600 59.292 -2.692 1
1 744 . 19 1 1 A 73 73 LYS CB C 73 32.700 32.319 0.381 1
1 748 . 19 1 1 A 73 73 LYS N N 73 124.400 120.700 3.700 1
1 749 . 19 1 1 A 74 74 CYS H H 74 8.590 7.733 0.857 1
1 750 . 19 1 1 A 74 74 CYS HA H 74 4.910 4.621 0.289 1
1 753 . 19 1 1 A 74 74 CYS C C 74 177.400 175.733 1.667 1
1 754 . 19 1 1 A 74 74 CYS CA C 74 58.900 58.693 0.207 1
1 755 . 19 1 1 A 74 74 CYS CB C 74 33.300 29.554 3.746 1
1 756 . 19 1 1 A 74 74 CYS N N 74 119.700 114.348 5.352 1
1 757 . 19 1 1 A 75 75 GLY H H 75 7.760 8.890 -1.130 1
1 758 . 19 1 1 A 75 75 GLY HA2 H 75 4.210 3.889 0.321 1
1 759 . 19 1 1 A 75 75 GLY HA3 H 75 3.750 3.920 -0.170 1
1 760 . 19 1 1 A 75 75 GLY C C 75 174.000 173.587 0.413 1
1 761 . 19 1 1 A 75 75 GLY CA C 75 46.100 46.439 -0.339 1
1 762 . 19 1 1 A 75 75 GLY N N 75 113.000 111.485 1.515 1
1 763 . 19 1 1 A 76 76 ASN H H 76 9.050 7.580 1.470 1
1 764 . 19 1 1 A 76 76 ASN HA H 76 4.500 5.073 -0.573 1
1 769 . 19 1 1 A 76 76 ASN C C 76 178.700 173.953 4.747 1
1 770 . 19 1 1 A 76 76 ASN CA C 76 54.700 51.028 3.672 1
1 771 . 19 1 1 A 76 76 ASN CB C 76 39.800 40.581 -0.781 1
1 772 . 19 1 1 A 76 76 ASN N N 76 123.700 118.386 5.314 1
1 774 . 19 1 1 A 77 77 GLY H H 77 8.660 8.325 0.335 1
1 775 . 19 1 1 A 77 77 GLY HA2 H 77 3.970 4.052 -0.082 1
1 776 . 19 1 1 A 77 77 GLY HA3 H 77 3.710 4.070 -0.360 1
1 777 . 19 1 1 A 77 77 GLY C C 77 173.800 174.521 -0.721 1
1 778 . 19 1 1 A 77 77 GLY CA C 77 47.300 45.462 1.838 1
1 779 . 19 1 1 A 77 77 GLY N N 77 115.600 109.278 6.322 1
1 780 . 19 1 1 A 78 78 LEU H H 78 8.600 8.906 -0.306 1
1 781 . 19 1 1 A 78 78 LEU HA H 78 4.810 4.342 0.468 1
1 791 . 19 1 1 A 78 78 LEU C C 78 173.800 176.933 -3.133 1
1 792 . 19 1 1 A 78 78 LEU CA C 78 54.900 57.677 -2.777 1
1 793 . 19 1 1 A 78 78 LEU CB C 78 45.000 42.270 2.730 1
1 797 . 19 1 1 A 78 78 LEU N N 78 122.700 124.344 -1.644 1
1 798 . 19 1 1 A 79 79 GLY H H 79 7.100 7.039 0.061 1
1 799 . 19 1 1 A 79 79 GLY HA2 H 79 4.650 4.209 0.441 1
1 800 . 19 1 1 A 79 79 GLY HA3 H 79 3.020 4.387 -1.367 1
1 801 . 19 1 1 A 79 79 GLY C C 79 173.000 171.906 1.094 1
1 802 . 19 1 1 A 79 79 GLY CA C 79 44.900 45.360 -0.460 1
1 803 . 19 1 1 A 79 79 GLY N N 79 102.400 104.458 -2.058 1
1 804 . 19 1 1 A 80 80 HIS H H 80 8.580 8.783 -0.203 1
1 805 . 19 1 1 A 80 80 HIS HA H 80 5.470 4.919 0.551 1
1 810 . 19 1 1 A 80 80 HIS C C 80 172.300 173.838 -1.538 1
1 811 . 19 1 1 A 80 80 HIS CA C 80 55.000 55.136 -0.136 1
1 812 . 19 1 1 A 80 80 HIS CB C 80 34.500 32.652 1.848 1
1 813 . 19 1 1 A 80 80 HIS N N 80 122.400 118.264 4.136 1
1 814 . 19 1 1 A 81 81 GLU H H 81 9.260 9.076 0.184 1
1 815 . 19 1 1 A 81 81 GLU HA H 81 4.100 4.440 -0.340 1
1 820 . 19 1 1 A 81 81 GLU C C 81 174.300 175.300 -1.000 1
1 821 . 19 1 1 A 81 81 GLU CA C 81 54.700 54.996 -0.296 1
1 822 . 19 1 1 A 81 81 GLU CB C 81 31.600 33.074 -1.474 1
1 824 . 19 1 1 A 81 81 GLU N N 81 123.700 120.548 3.152 1
1 825 . 19 1 1 A 82 82 PHE H H 82 9.150 9.351 -0.201 1
1 826 . 19 1 1 A 82 82 PHE HA H 82 5.080 4.710 0.370 1
1 830 . 19 1 1 A 82 82 PHE C C 82 174.300 174.455 -0.155 1
1 831 . 19 1 1 A 82 82 PHE CA C 82 56.700 57.709 -1.009 1
1 832 . 19 1 1 A 82 82 PHE CB C 82 38.800 38.644 0.156 1
1 833 . 19 1 1 A 82 82 PHE N N 82 126.900 128.816 -1.916 1
1 834 . 19 1 1 A 83 83 LEU H H 83 8.280 8.662 -0.382 1
1 835 . 19 1 1 A 83 83 LEU HA H 83 4.100 4.833 -0.733 1
1 845 . 19 1 1 A 83 83 LEU C C 83 176.200 175.969 0.231 1
1 846 . 19 1 1 A 83 83 LEU CA C 83 55.500 53.265 2.235 1
1 847 . 19 1 1 A 83 83 LEU CB C 83 42.000 45.286 -3.286 1
1 849 . 19 1 1 A 83 83 LEU N N 83 126.900 127.067 -0.167 1
1 850 . 19 1 1 A 84 84 ASN H H 84 9.260 8.841 0.419 1
1 851 . 19 1 1 A 84 84 ASN HA H 84 4.290 4.413 -0.123 1
1 856 . 19 1 1 A 84 84 ASN C C 84 174.400 174.402 -0.002 1
1 857 . 19 1 1 A 84 84 ASN CA C 84 54.800 54.807 -0.007 1
1 858 . 19 1 1 A 84 84 ASN CB C 84 37.900 36.860 1.040 1
1 859 . 19 1 1 A 84 84 ASN N N 84 116.900 116.370 0.530 1
1 861 . 19 1 1 A 85 85 ASP H H 85 7.140 8.139 -0.999 1
1 862 . 19 1 1 A 85 85 ASP HA H 85 5.200 4.906 0.294 1
1 865 . 19 1 1 A 85 85 ASP C C 85 176.000 176.503 -0.503 1
1 866 . 19 1 1 A 85 85 ASP CA C 85 53.800 54.060 -0.260 1
1 867 . 19 1 1 A 85 85 ASP CB C 85 45.500 42.697 2.803 1
1 868 . 19 1 1 A 85 85 ASP N N 85 117.200 118.486 -1.286 1
1 869 . 19 1 1 A 86 86 GLY H H 86 8.230 7.741 0.489 1
1 870 . 19 1 1 A 86 86 GLY HA2 H 86 4.140 4.095 0.045 1
1 871 . 19 1 1 A 86 86 GLY HA3 H 86 3.280 4.100 -0.820 1
1 872 . 19 1 1 A 86 86 GLY C C 86 171.700 174.309 -2.609 1
1 873 . 19 1 1 A 86 86 GLY CA C 86 44.600 45.536 -0.936 1
1 874 . 19 1 1 A 86 86 GLY N N 86 107.600 106.572 1.028 1
1 875 . 19 1 1 A 87 87 PRO HA H 87 4.190 4.416 -0.226 1
1 882 . 19 1 1 A 87 87 PRO C C 87 177.000 178.683 -1.683 1
1 883 . 19 1 1 A 87 87 PRO CA C 87 65.200 64.543 0.657 1
1 884 . 19 1 1 A 87 87 PRO CB C 87 31.700 31.962 -0.262 1
1 887 . 19 1 1 A 88 88 LYS H H 88 7.310 8.378 -1.068 1
1 888 . 19 1 1 A 88 88 LYS HA H 88 4.480 3.982 0.498 1
1 897 . 19 1 1 A 88 88 LYS C C 88 175.700 177.858 -2.158 1
1 898 . 19 1 1 A 88 88 LYS CA C 88 53.700 59.781 -6.081 1
1 899 . 19 1 1 A 88 88 LYS CB C 88 34.900 32.163 2.737 1
1 903 . 19 1 1 A 88 88 LYS N N 88 116.200 118.187 -1.987 1
1 904 . 19 1 1 A 89 89 ARG H H 89 8.320 7.609 0.711 1
1 905 . 19 1 1 A 89 89 ARG HA H 89 4.010 4.290 -0.280 1
1 912 . 19 1 1 A 89 89 ARG C C 89 177.500 178.010 -0.510 1
1 913 . 19 1 1 A 89 89 ARG CA C 89 57.900 56.784 1.116 1
1 914 . 19 1 1 A 89 89 ARG CB C 89 32.100 31.332 0.768 1
1 917 . 19 1 1 A 89 89 ARG N N 89 122.200 118.225 3.975 1
1 919 . 19 1 1 A 90 90 GLY H H 90 8.950 8.667 0.283 1
1 920 . 19 1 1 A 90 90 GLY HA2 H 90 4.240 3.878 0.362 1
1 921 . 19 1 1 A 90 90 GLY HA3 H 90 3.850 3.889 -0.039 1
1 922 . 19 1 1 A 90 90 GLY C C 90 175.000 174.422 0.578 1
1 923 . 19 1 1 A 90 90 GLY CA C 90 45.100 45.870 -0.770 1
1 924 . 19 1 1 A 90 90 GLY N N 90 115.100 110.322 4.778 1
1 925 . 19 1 1 A 91 91 GLN H H 91 8.120 7.788 0.332 1
1 926 . 19 1 1 A 91 91 GLN HA H 91 4.580 4.408 0.172 1
1 933 . 19 1 1 A 91 91 GLN C C 91 177.000 175.266 1.734 1
1 934 . 19 1 1 A 91 91 GLN CA C 91 55.900 57.015 -1.115 1
1 935 . 19 1 1 A 91 91 GLN CB C 91 31.000 29.233 1.767 1
1 937 . 19 1 1 A 91 91 GLN N N 91 120.900 120.469 0.431 1
1 938 . 19 1 1 A 92 92 SER H H 92 9.210 8.982 0.228 1
1 939 . 19 1 1 A 92 92 SER HA H 92 4.820 5.234 -0.414 1
1 942 . 19 1 1 A 92 92 SER C C 92 171.600 172.926 -1.326 1
1 943 . 19 1 1 A 92 92 SER CA C 92 57.700 57.970 -0.270 1
1 944 . 19 1 1 A 92 92 SER CB C 92 65.200 65.838 -0.638 1
1 945 . 19 1 1 A 92 92 SER N N 92 120.900 116.081 4.819 1
1 946 . 19 1 1 A 93 93 ARG H H 93 7.820 9.024 -1.204 1
1 947 . 19 1 1 A 93 93 ARG HA H 93 4.950 4.965 -0.015 1
1 952 . 19 1 1 A 93 93 ARG C C 93 176.400 174.550 1.850 1
1 953 . 19 1 1 A 93 93 ARG CA C 93 55.200 55.150 0.050 1
1 954 . 19 1 1 A 93 93 ARG CB C 93 34.600 31.619 2.981 1
1 957 . 19 1 1 A 93 93 ARG N N 93 117.800 126.823 -9.023 1
1 958 . 19 1 1 A 94 94 PHE H H 94 9.860 9.070 0.790 1
1 959 . 19 1 1 A 94 94 PHE HA H 94 4.780 5.511 -0.731 1
1 962 . 19 1 1 A 94 94 PHE C C 94 176.400 174.101 2.299 1
1 963 . 19 1 1 A 94 94 PHE CA C 94 58.300 55.902 2.398 1
1 964 . 19 1 1 A 94 94 PHE CB C 94 38.500 40.926 -2.426 1
1 965 . 19 1 1 A 94 94 PHE N N 94 127.100 124.853 2.247 1
1 966 . 19 1 1 A 95 95 CYS H H 95 9.190 8.904 0.286 1
1 967 . 19 1 1 A 95 95 CYS HA H 95 4.810 4.595 0.215 1
1 970 . 19 1 1 A 95 95 CYS CA C 95 57.300 59.930 -2.630 1
1 971 . 19 1 1 A 95 95 CYS CB C 95 28.700 28.309 0.391 1
1 972 . 19 1 1 A 95 95 CYS N N 95 128.200 126.945 1.255 1
1 973 . 19 1 1 A 96 96 ILE H H 96 7.510 8.730 -1.220 1
1 974 . 19 1 1 A 96 96 ILE HA H 96 4.620 5.210 -0.590 1
1 983 . 19 1 1 A 96 96 ILE C C 96 173.700 173.827 -0.127 1
1 984 . 19 1 1 A 96 96 ILE CA C 96 55.800 59.121 -3.321 1
1 985 . 19 1 1 A 96 96 ILE CB C 96 39.900 42.449 -2.549 1
1 989 . 19 1 1 A 96 96 ILE N N 96 130.700 123.719 6.981 1
1 990 . 19 1 1 A 97 97 PHE H H 97 8.040 8.784 -0.744 1
1 991 . 19 1 1 A 97 97 PHE HA H 97 4.920 4.934 -0.014 1
1 994 . 19 1 1 A 97 97 PHE C C 97 178.800 177.138 1.662 1
1 995 . 19 1 1 A 97 97 PHE CA C 97 57.500 56.926 0.574 1
1 996 . 19 1 1 A 97 97 PHE CB C 97 38.400 42.353 -3.953 1
1 997 . 19 1 1 A 97 97 PHE N N 97 122.400 123.759 -1.359 1
1 998 . 19 1 1 A 98 98 SER HA H 98 4.380 4.321 0.059 1
1 1001 . 19 1 1 A 98 98 SER C C 98 176.400 175.897 0.503 1
1 1002 . 19 1 1 A 98 98 SER CA C 98 64.900 60.802 4.098 1
1 1003 . 19 1 1 A 98 98 SER CB C 98 63.600 63.473 0.127 1
1 1004 . 19 1 1 A 99 99 SER H H 99 9.360 8.121 1.239 1
1 1005 . 19 1 1 A 99 99 SER HA H 99 4.300 4.500 -0.200 1
1 1008 . 19 1 1 A 99 99 SER C C 99 175.800 175.893 -0.093 1
1 1009 . 19 1 1 A 99 99 SER CA C 99 60.200 58.854 1.346 1
1 1010 . 19 1 1 A 99 99 SER CB C 99 62.700 63.020 -0.320 1
1 1011 . 19 1 1 A 99 99 SER N N 99 114.100 116.731 -2.631 1
1 1012 . 19 1 1 A 100 100 SER H H 100 8.150 8.086 0.064 1
1 1013 . 19 1 1 A 100 100 SER HA H 100 4.630 4.412 0.218 1
1 1016 . 19 1 1 A 100 100 SER C C 100 173.500 174.215 -0.715 1
1 1017 . 19 1 1 A 100 100 SER CA C 100 60.400 60.937 -0.537 1
1 1018 . 19 1 1 A 100 100 SER CB C 100 63.600 64.207 -0.607 1
1 1019 . 19 1 1 A 100 100 SER N N 100 118.700 115.259 3.441 1
1 1020 . 19 1 1 A 101 101 LEU H H 101 8.100 7.653 0.447 1
1 1021 . 19 1 1 A 101 101 LEU HA H 101 5.570 4.650 0.920 1
1 1031 . 19 1 1 A 101 101 LEU C C 101 176.000 174.161 1.839 1
1 1032 . 19 1 1 A 101 101 LEU CA C 101 53.400 54.261 -0.861 1
1 1033 . 19 1 1 A 101 101 LEU CB C 101 46.700 43.992 2.708 1
1 1036 . 19 1 1 A 101 101 LEU N N 101 122.000 116.560 5.440 1
1 1037 . 19 1 1 A 102 102 LYS H H 102 8.950 7.933 1.017 1
1 1038 . 19 1 1 A 102 102 LYS HA H 102 4.710 5.114 -0.404 1
1 1045 . 19 1 1 A 102 102 LYS C C 102 174.400 174.939 -0.539 1
1 1046 . 19 1 1 A 102 102 LYS CA C 102 55.400 54.501 0.899 1
1 1047 . 19 1 1 A 102 102 LYS CB C 102 36.500 35.821 0.679 1
1 1051 . 19 1 1 A 102 102 LYS N N 102 119.500 119.079 0.421 1
1 1052 . 19 1 1 A 103 103 PHE H H 103 9.010 8.904 0.106 1
1 1053 . 19 1 1 A 103 103 PHE HA H 103 4.750 5.095 -0.345 1
1 1056 . 19 1 1 A 103 103 PHE C C 103 173.900 173.635 0.265 1
1 1057 . 19 1 1 A 103 103 PHE CA C 103 57.100 55.542 1.558 1
1 1058 . 19 1 1 A 103 103 PHE CB C 103 41.300 42.051 -0.751 1
1 1059 . 19 1 1 A 103 103 PHE N N 103 124.500 123.260 1.240 1
1 1060 . 19 1 1 A 104 104 VAL H H 104 8.550 8.200 0.350 1
1 1061 . 19 1 1 A 104 104 VAL HA H 104 4.140 4.730 -0.590 1
1 1069 . 19 1 1 A 104 104 VAL C C 104 172.800 173.672 -0.872 1
1 1070 . 19 1 1 A 104 104 VAL CA C 104 58.800 58.648 0.152 1
1 1071 . 19 1 1 A 104 104 VAL CB C 104 32.300 33.206 -0.906 1
1 1074 . 19 1 1 A 104 104 VAL N N 104 132.000 128.163 3.837 1
1 1075 . 19 1 1 A 105 105 PRO HA H 105 4.110 4.396 -0.286 1
1 1082 . 19 1 1 A 105 105 PRO C C 105 176.400 177.011 -0.611 1
1 1083 . 19 1 1 A 105 105 PRO CA C 105 62.400 63.375 -0.975 1
1 1084 . 19 1 1 A 105 105 PRO CB C 105 32.400 32.360 0.040 1
1 1087 . 19 1 1 A 106 106 LYS H H 106 7.900 8.983 -1.083 1
1 1088 . 19 1 1 A 106 106 LYS HA H 106 4.170 4.109 0.061 1
1 1096 . 19 1 1 A 106 106 LYS C C 106 176.900 177.042 -0.142 1
1 1097 . 19 1 1 A 106 106 LYS CA C 106 56.700 56.997 -0.297 1
1 1098 . 19 1 1 A 106 106 LYS CB C 106 33.500 32.284 1.216 1
1 1102 . 19 1 1 A 106 106 LYS N N 106 123.200 123.252 -0.052 1
1 1103 . 19 1 1 A 107 107 GLY H H 107 8.740 8.760 -0.020 1
1 1104 . 19 1 1 A 107 107 GLY HA2 H 107 3.930 3.872 0.058 1
1 1105 . 19 1 1 A 107 107 GLY HA3 H 107 3.960 3.878 0.082 1
1 1106 . 19 1 1 A 107 107 GLY C C 107 174.000 175.135 -1.135 1
1 1107 . 19 1 1 A 107 107 GLY CA C 107 45.000 46.752 -1.752 1
1 1108 . 19 1 1 A 107 107 GLY N N 107 113.500 110.961 2.539 1
1 1109 . 19 1 1 A 108 108 LYS H H 108 8.240 8.129 0.111 1
1 1110 . 19 1 1 A 108 108 LYS HA H 108 4.290 4.065 0.225 1
1 1118 . 19 1 1 A 108 108 LYS C C 108 176.700 178.975 -2.275 1
1 1119 . 19 1 1 A 108 108 LYS CA C 108 56.000 58.880 -2.880 1
1 1120 . 19 1 1 A 108 108 LYS CB C 108 32.700 32.337 0.363 1
1 1124 . 19 1 1 A 108 108 LYS N N 108 121.500 118.781 2.719 1
1 1125 . 19 1 1 A 109 109 GLU H H 109 8.650 8.002 0.648 1
1 1126 . 19 1 1 A 109 109 GLU HA H 109 4.180 4.058 0.122 1
1 1131 . 19 1 1 A 109 109 GLU C C 109 176.500 176.167 0.333 1
1 1132 . 19 1 1 A 109 109 GLU CA C 109 56.600 59.333 -2.733 1
1 1133 . 19 1 1 A 109 109 GLU CB C 109 29.900 29.326 0.574 1
1 1135 . 19 1 1 A 109 109 GLU N N 109 122.800 120.253 2.547 1
1 1136 . 19 1 1 A 110 110 ALA H H 110 8.400 7.919 0.481 1
1 1137 . 19 1 1 A 110 110 ALA HA H 110 4.190 4.044 0.146 1
1 1141 . 19 1 1 A 110 110 ALA CA C 110 52.500 52.888 -0.388 1
1 1142 . 19 1 1 A 110 110 ALA CB C 110 19.000 17.827 1.173 1
1 1143 . 19 1 1 A 110 110 ALA N N 110 126.100 121.551 4.549 1
1 1144 . 19 1 1 A 111 111 ALA H H 111 8.240 8.366 -0.126 1
1 1145 . 19 1 1 A 111 111 ALA HA H 111 4.220 3.916 0.304 1
1 1149 . 19 1 1 A 111 111 ALA C C 111 177.800 177.003 0.797 1
1 1150 . 19 1 1 A 111 111 ALA CA C 111 52.600 54.334 -1.734 1
1 1151 . 19 1 1 A 111 111 ALA CB C 111 19.000 18.070 0.930 1
1 1152 . 19 1 1 A 111 111 ALA N N 111 123.800 121.068 2.732 1
1 1153 . 19 1 1 A 112 112 ALA H H 112 8.220 8.779 -0.559 1
1 1154 . 19 1 1 A 112 112 ALA HA H 112 4.250 3.920 0.330 1
1 1158 . 19 1 1 A 112 112 ALA C C 112 178.100 176.229 1.871 1
1 1159 . 19 1 1 A 112 112 ALA CA C 112 52.600 52.859 -0.259 1
1 1160 . 19 1 1 A 112 112 ALA CB C 112 19.100 17.769 1.331 1
1 1161 . 19 1 1 A 112 112 ALA N N 112 123.600 119.476 4.124 1
1 1162 . 19 1 1 A 113 113 SER H H 113 8.200 7.700 0.500 1
1 1163 . 19 1 1 A 113 113 SER HA H 113 4.360 4.880 -0.520 1
1 1166 . 19 1 1 A 113 113 SER C C 113 174.800 173.550 1.250 1
1 1167 . 19 1 1 A 113 113 SER CA C 113 58.300 56.833 1.467 1
1 1168 . 19 1 1 A 113 113 SER CB C 113 63.500 62.946 0.554 1
1 1169 . 19 1 1 A 113 113 SER N N 113 115.400 109.166 6.234 1
1 1170 . 19 1 1 A 114 114 GLN H H 114 8.320 8.774 -0.454 1
1 1171 . 19 1 1 A 114 114 GLN HA H 114 4.290 4.597 -0.307 1
1 1178 . 19 1 1 A 114 114 GLN C C 114 176.500 176.191 0.309 1
1 1179 . 19 1 1 A 114 114 GLN CA C 114 55.900 56.079 -0.179 1
1 1180 . 19 1 1 A 114 114 GLN CB C 114 29.300 30.499 -1.199 1
1 1182 . 19 1 1 A 114 114 GLN N N 114 122.500 124.268 -1.768 1
1 1183 . 19 1 1 A 115 115 GLY H H 115 8.370 8.626 -0.256 1
1 1184 . 19 1 1 A 115 115 GLY HA2 H 115 3.850 4.137 -0.287 1
1 1185 . 19 1 1 A 115 115 GLY HA3 H 115 3.850 4.173 -0.323 1
1 1186 . 19 1 1 A 115 115 GLY C C 115 173.900 173.663 0.237 1
1 1187 . 19 1 1 A 115 115 GLY CA C 115 45.400 45.240 0.160 1
1 1188 . 19 1 1 A 115 115 GLY N N 115 110.000 113.048 -3.048 1
1 1189 . 19 1 1 A 116 116 HIS H H 116 8.290 7.387 0.903 1
1 1190 . 19 1 1 A 116 116 HIS HA H 116 4.620 4.953 -0.333 1
1 1195 . 19 1 1 A 116 116 HIS C C 116 174.600 172.403 2.197 1
1 1196 . 19 1 1 A 116 116 HIS CA C 116 55.500 54.675 0.825 1
1 1197 . 19 1 1 A 116 116 HIS CB C 116 29.100 31.323 -2.223 1
1 1198 . 19 1 1 A 116 116 HIS N N 116 119.100 114.295 4.805 1
1 1199 . 19 1 1 A 117 117 LEU H H 117 8.220 8.748 -0.528 1
1 1200 . 19 1 1 A 117 117 LEU HA H 117 4.240 4.846 -0.606 1
1 1210 . 19 1 1 A 117 117 LEU C C 117 174.600 174.953 -0.353 1
1 1211 . 19 1 1 A 117 117 LEU CA C 117 55.100 54.322 0.778 1
1 1212 . 19 1 1 A 117 117 LEU CB C 117 42.300 44.957 -2.657 1
1 1216 . 19 1 1 A 117 117 LEU N N 117 124.100 122.228 1.872 1
1 1217 . 19 1 1 A 118 118 GLU H H 118 8.350 8.797 -0.447 1
1 1218 . 19 1 1 A 118 118 GLU HA H 118 4.160 5.230 -1.070 1
1 1223 . 19 1 1 A 118 118 GLU C C 118 176.000 174.793 1.207 1
1 1224 . 19 1 1 A 118 118 GLU CA C 118 56.300 55.424 0.876 1
1 1225 . 19 1 1 A 118 118 GLU CB C 118 30.300 33.050 -2.750 1
1 1227 . 19 1 1 A 118 118 GLU N N 118 122.300 122.886 -0.586 1
1 1228 . 19 1 1 A 119 119 HIS H H 119 8.410 8.726 -0.316 1
1 1229 . 19 1 1 A 119 119 HIS HA H 119 4.570 5.448 -0.878 1
1 1232 . 19 1 1 A 119 119 HIS C C 119 174.500 173.150 1.350 1
1 1233 . 19 1 1 A 119 119 HIS CA C 119 55.400 54.877 0.523 1
1 1234 . 19 1 1 A 119 119 HIS CB C 119 29.400 32.061 -2.661 1
1 1235 . 19 1 1 A 119 119 HIS N N 119 120.500 116.697 3.803 1
1 1236 . 19 1 1 A 120 120 HIS H H 120 8.530 8.911 -0.381 1
1 1237 . 19 1 1 A 120 120 HIS HA H 120 4.640 5.135 -0.495 1
1 1240 . 19 1 1 A 120 120 HIS C C 120 174.400 173.289 1.111 1
1 1241 . 19 1 1 A 120 120 HIS CA C 120 57.900 54.663 3.237 1
1 1242 . 19 1 1 A 120 120 HIS CB C 120 29.400 31.608 -2.208 1
1 1 . 20 1 1 A 3 3 PHE HA H 3 4.650 4.155 0.495 1
1 4 . 20 1 1 A 3 3 PHE C C 3 174.500 174.294 0.206 1
1 5 . 20 1 1 A 3 3 PHE CA C 3 57.800 58.241 -0.441 1
1 6 . 20 1 1 A 3 3 PHE CB C 3 39.600 37.534 2.066 1
1 7 . 20 1 1 A 4 4 CYS H H 4 8.270 8.463 -0.193 1
1 8 . 20 1 1 A 4 4 CYS HA H 4 4.380 4.966 -0.586 1
1 11 . 20 1 1 A 4 4 CYS C C 4 173.800 173.302 0.498 1
1 12 . 20 1 1 A 4 4 CYS CA C 4 58.100 57.868 0.232 1
1 13 . 20 1 1 A 4 4 CYS CB C 4 28.100 32.451 -4.351 1
1 14 . 20 1 1 A 4 4 CYS N N 4 122.600 121.834 0.766 1
1 15 . 20 1 1 A 5 5 SER H H 5 8.250 7.819 0.431 1
1 16 . 20 1 1 A 5 5 SER HA H 5 4.270 4.594 -0.324 1
1 19 . 20 1 1 A 5 5 SER C C 5 173.700 172.291 1.409 1
1 20 . 20 1 1 A 5 5 SER CA C 5 58.300 57.503 0.797 1
1 21 . 20 1 1 A 5 5 SER CB C 5 63.700 65.495 -1.795 1
1 22 . 20 1 1 A 5 5 SER N N 5 119.600 116.759 2.841 1
1 23 . 20 1 1 A 6 6 PHE H H 6 8.010 8.845 -0.835 1
1 24 . 20 1 1 A 6 6 PHE HA H 6 4.560 4.704 -0.144 1
1 28 . 20 1 1 A 6 6 PHE C C 6 173.700 174.249 -0.549 1
1 29 . 20 1 1 A 6 6 PHE CA C 6 57.600 55.731 1.869 1
1 30 . 20 1 1 A 6 6 PHE CB C 6 39.700 43.754 -4.054 1
1 31 . 20 1 1 A 6 6 PHE N N 6 122.500 124.583 -2.083 1
1 32 . 20 1 1 A 7 7 PHE H H 7 8.230 8.482 -0.252 1
1 33 . 20 1 1 A 7 7 PHE HA H 7 4.530 5.251 -0.721 1
1 36 . 20 1 1 A 7 7 PHE C C 7 175.800 174.817 0.983 1
1 37 . 20 1 1 A 7 7 PHE CA C 7 57.600 56.087 1.513 1
1 38 . 20 1 1 A 7 7 PHE CB C 7 39.700 43.058 -3.358 1
1 39 . 20 1 1 A 7 7 PHE N N 7 123.000 118.025 4.975 1
1 40 . 20 1 1 A 8 8 GLY H H 8 7.870 8.621 -0.751 1
1 41 . 20 1 1 A 8 8 GLY HA2 H 8 3.800 4.196 -0.396 1
1 42 . 20 1 1 A 8 8 GLY HA3 H 8 3.750 4.215 -0.465 1
1 43 . 20 1 1 A 8 8 GLY C C 8 174.300 173.274 1.026 1
1 44 . 20 1 1 A 8 8 GLY CA C 8 45.300 45.757 -0.457 1
1 45 . 20 1 1 A 8 8 GLY N N 8 111.200 108.105 3.095 1
1 46 . 20 1 1 A 9 9 GLY H H 9 7.930 7.533 0.397 1
1 47 . 20 1 1 A 9 9 GLY HA2 H 9 3.920 4.031 -0.111 1
1 48 . 20 1 1 A 9 9 GLY HA3 H 9 3.850 4.053 -0.203 1
1 49 . 20 1 1 A 9 9 GLY C C 9 175.200 172.733 2.467 1
1 50 . 20 1 1 A 9 9 GLY CA C 9 45.100 45.584 -0.484 1
1 51 . 20 1 1 A 9 9 GLY N N 9 108.400 107.127 1.273 1
1 52 . 20 1 1 A 10 10 GLU H H 10 8.400 8.383 0.017 1
1 53 . 20 1 1 A 10 10 GLU HA H 10 4.360 4.522 -0.162 1
1 58 . 20 1 1 A 10 10 GLU C C 10 178.400 176.399 2.001 1
1 59 . 20 1 1 A 10 10 GLU CA C 10 54.700 54.168 0.532 1
1 60 . 20 1 1 A 10 10 GLU CB C 10 36.700 31.779 4.921 1
1 62 . 20 1 1 A 10 10 GLU N N 10 122.600 119.576 3.024 1
1 63 . 20 1 1 A 11 11 VAL H H 11 7.940 8.581 -0.641 1
1 64 . 20 1 1 A 11 11 VAL HA H 11 3.680 3.754 -0.074 1
1 72 . 20 1 1 A 11 11 VAL C C 11 176.600 176.832 -0.232 1
1 73 . 20 1 1 A 11 11 VAL CA C 11 63.800 64.573 -0.773 1
1 74 . 20 1 1 A 11 11 VAL CB C 11 31.200 31.591 -0.391 1
1 77 . 20 1 1 A 11 11 VAL N N 11 120.300 120.953 -0.653 1
1 78 . 20 1 1 A 12 12 PHE H H 12 7.730 7.220 0.510 1
1 79 . 20 1 1 A 12 12 PHE HA H 12 5.200 4.192 1.008 1
1 83 . 20 1 1 A 12 12 PHE C C 12 177.100 176.827 0.273 1
1 84 . 20 1 1 A 12 12 PHE CA C 12 55.700 57.712 -2.012 1
1 85 . 20 1 1 A 12 12 PHE CB C 12 38.200 39.597 -1.397 1
1 86 . 20 1 1 A 12 12 PHE N N 12 113.700 116.669 -2.969 1
1 87 . 20 1 1 A 13 13 GLN H H 13 8.080 7.643 0.437 1
1 88 . 20 1 1 A 13 13 GLN HA H 13 3.270 3.399 -0.129 1
1 95 . 20 1 1 A 13 13 GLN C C 13 175.400 177.978 -2.578 1
1 96 . 20 1 1 A 13 13 GLN CA C 13 62.100 58.540 3.560 1
1 97 . 20 1 1 A 13 13 GLN CB C 13 27.100 28.018 -0.918 1
1 99 . 20 1 1 A 13 13 GLN N N 13 126.400 121.395 5.005 1
1 100 . 20 1 1 A 14 14 ASN H H 14 8.580 7.691 0.889 1
1 101 . 20 1 1 A 14 14 ASN HA H 14 5.010 4.683 0.327 1
1 106 . 20 1 1 A 14 14 ASN C C 14 173.000 175.767 -2.767 1
1 107 . 20 1 1 A 14 14 ASN CA C 14 51.500 55.161 -3.661 1
1 108 . 20 1 1 A 14 14 ASN CB C 14 37.900 39.398 -1.498 1
1 109 . 20 1 1 A 14 14 ASN N N 14 115.900 116.926 -1.026 1
1 111 . 20 1 1 A 15 15 HIS H H 15 6.070 7.636 -1.566 1
1 112 . 20 1 1 A 15 15 HIS HA H 15 4.370 4.898 -0.528 1
1 117 . 20 1 1 A 15 15 HIS C C 15 174.400 175.172 -0.772 1
1 118 . 20 1 1 A 15 15 HIS CA C 15 56.600 54.498 2.102 1
1 119 . 20 1 1 A 15 15 HIS CB C 15 33.400 31.163 2.237 1
1 120 . 20 1 1 A 15 15 HIS N N 15 120.500 115.121 5.379 1
1 121 . 20 1 1 A 16 16 PHE H H 16 8.880 8.681 0.199 1
1 122 . 20 1 1 A 16 16 PHE HA H 16 4.870 4.777 0.093 1
1 125 . 20 1 1 A 16 16 PHE C C 16 174.300 175.648 -1.348 1
1 126 . 20 1 1 A 16 16 PHE CA C 16 57.100 57.658 -0.558 1
1 127 . 20 1 1 A 16 16 PHE CB C 16 39.700 41.174 -1.474 1
1 128 . 20 1 1 A 16 16 PHE N N 16 127.200 117.761 9.439 1
1 129 . 20 1 1 A 17 17 GLU H H 17 5.780 6.965 -1.185 1
1 130 . 20 1 1 A 17 17 GLU HA H 17 4.500 4.139 0.361 1
1 135 . 20 1 1 A 17 17 GLU C C 17 174.300 175.801 -1.501 1
1 136 . 20 1 1 A 17 17 GLU CA C 17 53.500 54.601 -1.101 1
1 137 . 20 1 1 A 17 17 GLU CB C 17 30.700 29.780 0.920 1
1 139 . 20 1 1 A 17 17 GLU N N 17 119.900 120.087 -0.187 1
1 140 . 20 1 1 A 18 18 PRO HA H 18 4.630 4.522 0.108 1
1 147 . 20 1 1 A 18 18 PRO C C 18 178.100 176.918 1.182 1
1 148 . 20 1 1 A 18 18 PRO CA C 18 62.700 62.227 0.473 1
1 149 . 20 1 1 A 18 18 PRO CB C 18 31.400 33.083 -1.683 1
1 152 . 20 1 1 A 19 19 GLY H H 19 8.820 8.293 0.527 1
1 153 . 20 1 1 A 19 19 GLY HA2 H 19 4.500 3.460 1.040 1
1 154 . 20 1 1 A 19 19 GLY HA3 H 19 3.630 3.740 -0.110 1
1 155 . 20 1 1 A 19 19 GLY C C 19 171.000 172.642 -1.642 1
1 156 . 20 1 1 A 19 19 GLY CA C 19 46.200 44.247 1.953 1
1 157 . 20 1 1 A 19 19 GLY N N 19 111.300 108.239 3.061 1
1 158 . 20 1 1 A 20 20 VAL H H 20 8.070 7.988 0.082 1
1 159 . 20 1 1 A 20 20 VAL HA H 20 4.750 4.093 0.657 1
1 167 . 20 1 1 A 20 20 VAL C C 20 172.300 174.049 -1.749 1
1 168 . 20 1 1 A 20 20 VAL CA C 20 60.200 59.669 0.531 1
1 169 . 20 1 1 A 20 20 VAL CB C 20 36.100 35.297 0.803 1
1 172 . 20 1 1 A 20 20 VAL N N 20 120.700 119.199 1.501 1
1 173 . 20 1 1 A 21 21 TYR H H 21 9.560 8.417 1.143 1
1 174 . 20 1 1 A 21 21 TYR HA H 21 5.230 5.448 -0.218 1
1 177 . 20 1 1 A 21 21 TYR C C 21 175.600 175.079 0.521 1
1 178 . 20 1 1 A 21 21 TYR CA C 21 56.800 55.916 0.884 1
1 179 . 20 1 1 A 21 21 TYR CB C 21 39.200 42.266 -3.066 1
1 180 . 20 1 1 A 21 21 TYR N N 21 123.200 122.055 1.145 1
1 181 . 20 1 1 A 22 22 VAL H H 22 9.400 8.748 0.652 1
1 182 . 20 1 1 A 22 22 VAL HA H 22 4.950 4.966 -0.016 1
1 190 . 20 1 1 A 22 22 VAL C C 22 174.000 174.376 -0.376 1
1 191 . 20 1 1 A 22 22 VAL CA C 22 57.100 59.261 -2.161 1
1 192 . 20 1 1 A 22 22 VAL CB C 22 33.900 35.946 -2.046 1
1 195 . 20 1 1 A 22 22 VAL N N 22 119.100 116.670 2.430 1
1 196 . 20 1 1 A 23 23 CYS H H 23 9.020 8.734 0.286 1
1 197 . 20 1 1 A 23 23 CYS HA H 23 4.260 4.704 -0.444 1
1 200 . 20 1 1 A 23 23 CYS C C 23 178.700 176.125 2.575 1
1 201 . 20 1 1 A 23 23 CYS CA C 23 60.600 59.315 1.285 1
1 202 . 20 1 1 A 23 23 CYS CB C 23 31.700 28.366 3.334 1
1 203 . 20 1 1 A 23 23 CYS N N 23 123.800 122.341 1.459 1
1 204 . 20 1 1 A 24 24 ALA H H 24 8.760 8.500 0.260 1
1 205 . 20 1 1 A 24 24 ALA HA H 24 3.840 4.330 -0.490 1
1 209 . 20 1 1 A 24 24 ALA C C 24 177.500 177.131 0.369 1
1 210 . 20 1 1 A 24 24 ALA CA C 24 55.000 53.692 1.308 1
1 211 . 20 1 1 A 24 24 ALA CB C 24 18.700 18.959 -0.259 1
1 212 . 20 1 1 A 24 24 ALA N N 24 131.900 128.549 3.351 1
1 213 . 20 1 1 A 25 25 LYS H H 25 9.200 7.932 1.268 1
1 214 . 20 1 1 A 25 25 LYS HA H 25 4.380 4.579 -0.199 1
1 222 . 20 1 1 A 25 25 LYS C C 25 178.100 177.851 0.249 1
1 223 . 20 1 1 A 25 25 LYS CA C 25 57.900 57.508 0.392 1
1 224 . 20 1 1 A 25 25 LYS CB C 25 33.500 34.986 -1.486 1
1 228 . 20 1 1 A 25 25 LYS N N 25 120.000 115.691 4.309 1
1 229 . 20 1 1 A 26 26 CYS H H 26 8.730 8.302 0.428 1
1 230 . 20 1 1 A 26 26 CYS HA H 26 5.000 4.220 0.780 1
1 233 . 20 1 1 A 26 26 CYS C C 26 177.000 175.277 1.723 1
1 234 . 20 1 1 A 26 26 CYS CA C 26 59.400 62.497 -3.097 1
1 235 . 20 1 1 A 26 26 CYS CB C 26 32.900 27.635 5.265 1
1 236 . 20 1 1 A 26 26 CYS N N 26 120.900 118.527 2.373 1
1 237 . 20 1 1 A 27 27 SER H H 27 8.170 8.197 -0.027 1
1 238 . 20 1 1 A 27 27 SER HA H 27 4.140 4.186 -0.046 1
1 241 . 20 1 1 A 27 27 SER C C 27 174.800 173.941 0.859 1
1 242 . 20 1 1 A 27 27 SER CA C 27 60.900 59.461 1.439 1
1 243 . 20 1 1 A 27 27 SER CB C 27 61.600 61.117 0.483 1
1 244 . 20 1 1 A 27 27 SER N N 27 115.800 115.431 0.369 1
1 245 . 20 1 1 A 28 28 TYR H H 28 9.010 7.873 1.137 1
1 246 . 20 1 1 A 28 28 TYR HA H 28 4.420 4.811 -0.391 1
1 249 . 20 1 1 A 28 28 TYR C C 28 176.600 174.924 1.676 1
1 250 . 20 1 1 A 28 28 TYR CA C 28 59.300 56.404 2.896 1
1 251 . 20 1 1 A 28 28 TYR CB C 28 39.600 39.225 0.375 1
1 252 . 20 1 1 A 28 28 TYR N N 28 127.100 122.787 4.313 1
1 253 . 20 1 1 A 29 29 GLU H H 29 7.730 8.681 -0.951 1
1 254 . 20 1 1 A 29 29 GLU HA H 29 3.670 4.585 -0.915 1
1 259 . 20 1 1 A 29 29 GLU C C 29 174.900 176.642 -1.742 1
1 260 . 20 1 1 A 29 29 GLU CA C 29 58.700 57.324 1.376 1
1 261 . 20 1 1 A 29 29 GLU CB C 29 29.800 29.901 -0.101 1
1 263 . 20 1 1 A 29 29 GLU N N 29 124.500 127.949 -3.449 1
1 264 . 20 1 1 A 30 30 LEU H H 30 7.940 8.802 -0.862 1
1 265 . 20 1 1 A 30 30 LEU HA H 30 4.140 5.021 -0.881 1
1 274 . 20 1 1 A 30 30 LEU C C 30 175.400 175.307 0.093 1
1 275 . 20 1 1 A 30 30 LEU CA C 30 56.200 53.396 2.804 1
1 276 . 20 1 1 A 30 30 LEU CB C 30 46.700 45.405 1.295 1
1 277 . 20 1 1 A 30 30 LEU N N 30 121.800 121.839 -0.039 1
1 278 . 20 1 1 A 31 31 PHE H H 31 7.880 8.847 -0.967 1
1 279 . 20 1 1 A 31 31 PHE HA H 31 4.720 5.057 -0.337 1
1 282 . 20 1 1 A 31 31 PHE C C 31 174.600 173.372 1.228 1
1 283 . 20 1 1 A 31 31 PHE CA C 31 56.600 56.662 -0.062 1
1 284 . 20 1 1 A 31 31 PHE CB C 31 45.300 41.137 4.163 1
1 285 . 20 1 1 A 31 31 PHE N N 31 113.300 117.049 -3.749 1
1 286 . 20 1 1 A 32 32 SER H H 32 10.030 8.575 1.455 1
1 287 . 20 1 1 A 32 32 SER HA H 32 4.860 4.450 0.410 1
1 290 . 20 1 1 A 32 32 SER CA C 32 57.000 57.170 -0.170 1
1 291 . 20 1 1 A 32 32 SER CB C 32 63.700 64.891 -1.191 1
1 292 . 20 1 1 A 32 32 SER N N 32 118.700 116.616 2.084 1
1 293 . 20 1 1 A 33 33 SER H H 33 8.990 8.804 0.186 1
1 294 . 20 1 1 A 33 33 SER HA H 33 4.840 4.205 0.635 1
1 297 . 20 1 1 A 33 33 SER C C 33 177.300 174.758 2.542 1
1 298 . 20 1 1 A 33 33 SER CA C 33 63.700 59.789 3.911 1
1 299 . 20 1 1 A 33 33 SER CB C 33 63.700 63.592 0.108 1
1 300 . 20 1 1 A 33 33 SER N N 33 123.100 117.358 5.742 1
1 301 . 20 1 1 A 34 34 HIS HA H 34 4.710 4.546 0.164 1
1 304 . 20 1 1 A 34 34 HIS C C 34 175.800 176.580 -0.780 1
1 305 . 20 1 1 A 34 34 HIS CA C 34 57.900 57.077 0.823 1
1 306 . 20 1 1 A 34 34 HIS CB C 34 28.600 30.617 -2.017 1
1 307 . 20 1 1 A 35 35 SER H H 35 7.960 7.932 0.028 1
1 308 . 20 1 1 A 35 35 SER HA H 35 4.820 4.115 0.705 1
1 311 . 20 1 1 A 35 35 SER C C 35 173.200 173.826 -0.626 1
1 312 . 20 1 1 A 35 35 SER CA C 35 58.100 60.907 -2.807 1
1 313 . 20 1 1 A 35 35 SER CB C 35 65.300 62.926 2.374 1
1 314 . 20 1 1 A 35 35 SER N N 35 114.500 113.413 1.087 1
1 315 . 20 1 1 A 36 36 LYS H H 36 7.630 7.575 0.055 1
1 316 . 20 1 1 A 36 36 LYS HA H 36 4.890 5.005 -0.115 1
1 322 . 20 1 1 A 36 36 LYS C C 36 176.100 174.585 1.515 1
1 323 . 20 1 1 A 36 36 LYS CA C 36 55.400 54.799 0.601 1
1 324 . 20 1 1 A 36 36 LYS CB C 36 35.400 35.644 -0.244 1
1 328 . 20 1 1 A 36 36 LYS N N 36 126.900 120.515 6.385 1
1 329 . 20 1 1 A 37 37 TYR H H 37 8.440 9.125 -0.685 1
1 330 . 20 1 1 A 37 37 TYR HA H 37 5.100 5.131 -0.031 1
1 333 . 20 1 1 A 37 37 TYR C C 37 172.800 175.449 -2.649 1
1 334 . 20 1 1 A 37 37 TYR CA C 37 55.400 56.733 -1.333 1
1 335 . 20 1 1 A 37 37 TYR CB C 37 41.000 43.402 -2.402 1
1 336 . 20 1 1 A 37 37 TYR N N 37 124.200 123.686 0.514 1
1 337 . 20 1 1 A 38 38 ALA H H 38 8.590 8.494 0.096 1
1 338 . 20 1 1 A 38 38 ALA HA H 38 4.630 4.640 -0.010 1
1 342 . 20 1 1 A 38 38 ALA C C 38 175.900 177.156 -1.256 1
1 343 . 20 1 1 A 38 38 ALA CA C 38 52.500 52.278 0.222 1
1 344 . 20 1 1 A 38 38 ALA CB C 38 18.300 19.039 -0.739 1
1 345 . 20 1 1 A 38 38 ALA N N 38 125.100 124.524 0.576 1
1 346 . 20 1 1 A 39 39 HIS H H 39 8.080 8.676 -0.596 1
1 347 . 20 1 1 A 39 39 HIS HA H 39 4.620 5.029 -0.409 1
1 352 . 20 1 1 A 39 39 HIS C C 39 174.100 172.376 1.724 1
1 353 . 20 1 1 A 39 39 HIS CA C 39 57.000 55.803 1.197 1
1 354 . 20 1 1 A 39 39 HIS CB C 39 34.600 33.775 0.825 1
1 355 . 20 1 1 A 39 39 HIS N N 39 125.600 121.544 4.056 1
1 356 . 20 1 1 A 40 40 SER H H 40 6.860 8.799 -1.939 1
1 357 . 20 1 1 A 40 40 SER HA H 40 4.060 4.981 -0.921 1
1 360 . 20 1 1 A 40 40 SER C C 40 174.900 173.374 1.526 1
1 361 . 20 1 1 A 40 40 SER CA C 40 58.800 57.420 1.380 1
1 362 . 20 1 1 A 40 40 SER CB C 40 62.700 64.120 -1.420 1
1 363 . 20 1 1 A 40 40 SER N N 40 118.700 122.887 -4.187 1
1 364 . 20 1 1 A 41 41 SER H H 41 9.140 8.895 0.245 1
1 365 . 20 1 1 A 41 41 SER HA H 41 4.480 4.990 -0.510 1
1 368 . 20 1 1 A 41 41 SER C C 41 173.600 171.326 2.274 1
1 369 . 20 1 1 A 41 41 SER CA C 41 57.800 56.609 1.191 1
1 370 . 20 1 1 A 41 41 SER CB C 41 63.600 65.230 -1.630 1
1 371 . 20 1 1 A 41 41 SER N N 41 122.500 120.071 2.429 1
1 372 . 20 1 1 A 42 42 PRO HA H 42 4.040 4.091 -0.051 1
1 379 . 20 1 1 A 42 42 PRO C C 42 174.900 176.664 -1.764 1
1 380 . 20 1 1 A 42 42 PRO CA C 42 63.700 63.236 0.464 1
1 381 . 20 1 1 A 42 42 PRO CB C 42 31.500 31.816 -0.316 1
1 384 . 20 1 1 A 43 43 TRP H H 43 6.590 7.858 -1.268 1
1 385 . 20 1 1 A 43 43 TRP HA H 43 4.850 4.024 0.826 1
1 394 . 20 1 1 A 43 43 TRP C C 43 174.100 174.883 -0.783 1
1 395 . 20 1 1 A 43 43 TRP CA C 43 57.300 57.597 -0.297 1
1 396 . 20 1 1 A 43 43 TRP CB C 43 29.500 27.098 2.402 1
1 397 . 20 1 1 A 43 43 TRP N N 43 113.900 117.409 -3.509 1
1 399 . 20 1 1 A 44 44 PRO HA H 44 3.810 4.488 -0.678 1
1 405 . 20 1 1 A 44 44 PRO C C 44 174.800 175.667 -0.867 1
1 406 . 20 1 1 A 44 44 PRO CA C 44 63.200 62.510 0.690 1
1 407 . 20 1 1 A 44 44 PRO CB C 44 32.200 32.868 -0.668 1
1 410 . 20 1 1 A 45 45 ALA H H 45 7.850 8.015 -0.165 1
1 411 . 20 1 1 A 45 45 ALA HA H 45 5.260 4.664 0.596 1
1 415 . 20 1 1 A 45 45 ALA C C 45 174.800 175.654 -0.854 1
1 416 . 20 1 1 A 45 45 ALA CA C 45 50.100 50.388 -0.288 1
1 417 . 20 1 1 A 45 45 ALA CB C 45 20.800 23.946 -3.146 1
1 418 . 20 1 1 A 45 45 ALA N N 45 126.700 119.569 7.131 1
1 419 . 20 1 1 A 46 46 PHE H H 46 8.080 8.055 0.025 1
1 420 . 20 1 1 A 46 46 PHE HA H 46 5.860 5.052 0.808 1
1 424 . 20 1 1 A 46 46 PHE C C 46 177.800 175.977 1.823 1
1 425 . 20 1 1 A 46 46 PHE CA C 46 54.800 56.318 -1.518 1
1 426 . 20 1 1 A 46 46 PHE CB C 46 44.500 41.613 2.887 1
1 427 . 20 1 1 A 46 46 PHE N N 46 115.600 115.654 -0.054 1
1 428 . 20 1 1 A 47 47 THR H H 47 9.190 8.415 0.775 1
1 429 . 20 1 1 A 47 47 THR HA H 47 5.220 3.998 1.222 1
1 434 . 20 1 1 A 47 47 THR C C 47 175.000 173.898 1.102 1
1 435 . 20 1 1 A 47 47 THR CA C 47 63.000 65.916 -2.916 1
1 436 . 20 1 1 A 47 47 THR CB C 47 70.500 68.380 2.120 1
1 438 . 20 1 1 A 47 47 THR N N 47 109.900 117.643 -7.743 1
1 439 . 20 1 1 A 48 48 GLU H H 48 7.320 7.670 -0.350 1
1 440 . 20 1 1 A 48 48 GLU HA H 48 4.920 4.323 0.597 1
1 445 . 20 1 1 A 48 48 GLU C C 48 175.400 175.289 0.111 1
1 446 . 20 1 1 A 48 48 GLU CA C 48 55.200 54.352 0.848 1
1 447 . 20 1 1 A 48 48 GLU CB C 48 31.900 33.237 -1.337 1
1 449 . 20 1 1 A 48 48 GLU N N 48 115.400 118.793 -3.393 1
1 450 . 20 1 1 A 49 49 THR H H 49 8.150 8.744 -0.594 1
1 451 . 20 1 1 A 49 49 THR HA H 49 4.090 5.138 -1.048 1
1 456 . 20 1 1 A 49 49 THR C C 49 175.800 175.586 0.214 1
1 457 . 20 1 1 A 49 49 THR CA C 49 60.000 59.627 0.373 1
1 458 . 20 1 1 A 49 49 THR CB C 49 70.400 71.866 -1.466 1
1 460 . 20 1 1 A 49 49 THR N N 49 111.400 111.460 -0.060 1
1 461 . 20 1 1 A 50 50 ILE H H 50 7.720 9.167 -1.447 1
1 462 . 20 1 1 A 50 50 ILE HA H 50 3.630 3.811 -0.181 1
1 472 . 20 1 1 A 50 50 ILE C C 50 174.500 176.116 -1.616 1
1 473 . 20 1 1 A 50 50 ILE CA C 50 64.100 63.928 0.172 1
1 474 . 20 1 1 A 50 50 ILE CB C 50 38.700 38.154 0.546 1
1 478 . 20 1 1 A 50 50 ILE N N 50 121.700 122.485 -0.785 1
1 479 . 20 1 1 A 51 51 HIS H H 51 7.400 8.048 -0.648 1
1 480 . 20 1 1 A 51 51 HIS HA H 51 5.300 4.173 1.127 1
1 484 . 20 1 1 A 51 51 HIS C C 51 175.500 174.665 0.835 1
1 485 . 20 1 1 A 51 51 HIS CA C 51 51.800 56.801 -5.001 1
1 486 . 20 1 1 A 51 51 HIS CB C 51 29.700 27.998 1.702 1
1 487 . 20 1 1 A 51 51 HIS N N 51 115.500 120.595 -5.095 1
1 488 . 20 1 1 A 52 52 PRO HA H 52 4.350 4.379 -0.029 1
1 495 . 20 1 1 A 52 52 PRO C C 52 176.900 175.726 1.174 1
1 496 . 20 1 1 A 52 52 PRO CA C 52 64.800 62.718 2.082 1
1 497 . 20 1 1 A 52 52 PRO CB C 52 31.300 32.562 -1.262 1
1 500 . 20 1 1 A 53 53 ASP H H 53 8.070 8.308 -0.238 1
1 501 . 20 1 1 A 53 53 ASP HA H 53 4.760 4.579 0.181 1
1 504 . 20 1 1 A 53 53 ASP C C 53 176.900 176.249 0.651 1
1 505 . 20 1 1 A 53 53 ASP CA C 53 52.100 53.827 -1.727 1
1 506 . 20 1 1 A 53 53 ASP CB C 53 39.700 40.518 -0.818 1
1 507 . 20 1 1 A 53 53 ASP N N 53 114.300 120.191 -5.891 1
1 508 . 20 1 1 A 54 54 SER H H 54 7.720 7.979 -0.259 1
1 509 . 20 1 1 A 54 54 SER HA H 54 4.040 4.566 -0.526 1
1 512 . 20 1 1 A 54 54 SER C C 54 173.200 174.090 -0.890 1
1 513 . 20 1 1 A 54 54 SER CA C 54 64.100 58.656 5.444 1
1 514 . 20 1 1 A 54 54 SER CB C 54 64.200 64.225 -0.025 1
1 515 . 20 1 1 A 54 54 SER N N 54 116.300 114.202 2.098 1
1 516 . 20 1 1 A 55 55 VAL H H 55 7.360 7.328 0.032 1
1 517 . 20 1 1 A 55 55 VAL HA H 55 5.280 4.830 0.450 1
1 525 . 20 1 1 A 55 55 VAL C C 55 175.700 174.133 1.567 1
1 526 . 20 1 1 A 55 55 VAL CA C 55 57.300 59.729 -2.429 1
1 527 . 20 1 1 A 55 55 VAL CB C 55 34.800 34.779 0.021 1
1 530 . 20 1 1 A 55 55 VAL N N 55 105.200 116.781 -11.581 1
1 531 . 20 1 1 A 56 56 THR H H 56 8.780 8.502 0.278 1
1 532 . 20 1 1 A 56 56 THR HA H 56 4.530 5.075 -0.545 1
1 537 . 20 1 1 A 56 56 THR C C 56 173.800 173.020 0.780 1
1 538 . 20 1 1 A 56 56 THR CA C 56 60.500 59.974 0.526 1
1 539 . 20 1 1 A 56 56 THR CB C 56 70.400 71.893 -1.493 1
1 541 . 20 1 1 A 56 56 THR N N 56 116.000 116.456 -0.456 1
1 542 . 20 1 1 A 57 57 LYS H H 57 8.610 8.814 -0.204 1
1 543 . 20 1 1 A 57 57 LYS HA H 57 5.490 5.260 0.230 1
1 550 . 20 1 1 A 57 57 LYS C C 57 176.000 174.852 1.148 1
1 551 . 20 1 1 A 57 57 LYS CA C 57 54.600 54.063 0.537 1
1 552 . 20 1 1 A 57 57 LYS CB C 57 36.000 36.594 -0.594 1
1 556 . 20 1 1 A 57 57 LYS N N 57 121.900 124.297 -2.397 1
1 557 . 20 1 1 A 58 58 CYS H H 58 8.610 9.029 -0.419 1
1 558 . 20 1 1 A 58 58 CYS HA H 58 5.100 5.070 0.030 1
1 561 . 20 1 1 A 58 58 CYS CA C 58 55.200 56.564 -1.364 1
1 562 . 20 1 1 A 58 58 CYS CB C 58 29.700 30.593 -0.893 1
1 563 . 20 1 1 A 58 58 CYS N N 58 120.600 117.537 3.063 1
1 564 . 20 1 1 A 59 59 PRO HA H 59 4.590 4.503 0.087 1
1 571 . 20 1 1 A 59 59 PRO C C 59 176.600 176.829 -0.229 1
1 572 . 20 1 1 A 59 59 PRO CA C 59 63.700 62.374 1.326 1
1 573 . 20 1 1 A 59 59 PRO CB C 59 32.100 31.984 0.116 1
1 576 . 20 1 1 A 60 60 GLU H H 60 8.630 8.075 0.555 1
1 577 . 20 1 1 A 60 60 GLU HA H 60 4.450 4.491 -0.041 1
1 582 . 20 1 1 A 60 60 GLU C C 60 176.900 176.871 0.029 1
1 583 . 20 1 1 A 60 60 GLU CA C 60 55.700 56.369 -0.669 1
1 584 . 20 1 1 A 60 60 GLU CB C 60 30.500 30.387 0.113 1
1 586 . 20 1 1 A 60 60 GLU N N 60 123.900 121.368 2.532 1
1 587 . 20 1 1 A 61 61 LYS H H 61 8.780 8.866 -0.086 1
1 588 . 20 1 1 A 61 61 LYS HA H 61 3.930 4.416 -0.486 1
1 596 . 20 1 1 A 61 61 LYS C C 61 177.100 177.480 -0.380 1
1 597 . 20 1 1 A 61 61 LYS CA C 61 58.300 57.519 0.781 1
1 598 . 20 1 1 A 61 61 LYS CB C 61 31.900 33.936 -2.036 1
1 602 . 20 1 1 A 61 61 LYS N N 61 127.000 123.646 3.354 1
1 603 . 20 1 1 A 62 62 ASN H H 62 8.870 8.293 0.577 1
1 604 . 20 1 1 A 62 62 ASN HA H 62 4.520 4.841 -0.321 1
1 609 . 20 1 1 A 62 62 ASN C C 62 174.400 175.192 -0.792 1
1 610 . 20 1 1 A 62 62 ASN CA C 62 54.000 52.462 1.538 1
1 611 . 20 1 1 A 62 62 ASN CB C 62 38.000 38.298 -0.298 1
1 612 . 20 1 1 A 62 62 ASN N N 62 117.000 113.307 3.693 1
1 613 . 20 1 1 A 63 63 ARG H H 63 7.430 7.707 -0.277 1
1 614 . 20 1 1 A 63 63 ARG HA H 63 4.810 4.818 -0.008 1
1 622 . 20 1 1 A 63 63 ARG C C 63 172.300 174.321 -2.021 1
1 623 . 20 1 1 A 63 63 ARG CA C 63 53.800 53.697 0.103 1
1 624 . 20 1 1 A 63 63 ARG CB C 63 31.300 30.880 0.420 1
1 627 . 20 1 1 A 63 63 ARG N N 63 119.200 119.707 -0.507 1
1 629 . 20 1 1 A 64 64 PRO HA H 64 4.350 4.524 -0.174 1
1 636 . 20 1 1 A 64 64 PRO C C 64 176.900 176.121 0.779 1
1 637 . 20 1 1 A 64 64 PRO CA C 64 64.200 62.836 1.364 1
1 638 . 20 1 1 A 64 64 PRO CB C 64 31.800 29.701 2.099 1
1 641 . 20 1 1 A 65 65 GLU H H 65 9.210 8.742 0.468 1
1 642 . 20 1 1 A 65 65 GLU HA H 65 4.280 4.703 -0.423 1
1 647 . 20 1 1 A 65 65 GLU C C 65 174.300 175.203 -0.903 1
1 648 . 20 1 1 A 65 65 GLU CA C 65 56.600 55.704 0.896 1
1 649 . 20 1 1 A 65 65 GLU CB C 65 28.200 30.482 -2.282 1
1 651 . 20 1 1 A 65 65 GLU N N 65 117.000 117.896 -0.896 1
1 652 . 20 1 1 A 66 66 ALA H H 66 8.040 7.134 0.906 1
1 653 . 20 1 1 A 66 66 ALA HA H 66 5.230 4.321 0.909 1
1 657 . 20 1 1 A 66 66 ALA C C 66 174.900 175.011 -0.111 1
1 658 . 20 1 1 A 66 66 ALA CA C 66 50.300 51.409 -1.109 1
1 659 . 20 1 1 A 66 66 ALA CB C 66 22.200 22.378 -0.178 1
1 660 . 20 1 1 A 66 66 ALA N N 66 124.800 121.092 3.708 1
1 661 . 20 1 1 A 67 67 LEU H H 67 8.710 8.835 -0.125 1
1 662 . 20 1 1 A 67 67 LEU HA H 67 4.800 5.008 -0.208 1
1 672 . 20 1 1 A 67 67 LEU C C 67 177.200 175.995 1.205 1
1 673 . 20 1 1 A 67 67 LEU CA C 67 52.800 53.626 -0.826 1
1 674 . 20 1 1 A 67 67 LEU CB C 67 43.200 45.845 -2.645 1
1 678 . 20 1 1 A 67 67 LEU N N 67 120.400 118.851 1.549 1
1 679 . 20 1 1 A 68 68 LYS H H 68 9.180 9.080 0.100 1
1 680 . 20 1 1 A 68 68 LYS HA H 68 4.050 5.290 -1.240 1
1 689 . 20 1 1 A 68 68 LYS C C 68 176.900 175.078 1.822 1
1 690 . 20 1 1 A 68 68 LYS CA C 68 57.100 54.752 2.348 1
1 691 . 20 1 1 A 68 68 LYS CB C 68 32.600 34.992 -2.392 1
1 695 . 20 1 1 A 68 68 LYS N N 68 125.300 120.568 4.732 1
1 696 . 20 1 1 A 69 69 VAL H H 69 8.150 8.915 -0.765 1
1 697 . 20 1 1 A 69 69 VAL HA H 69 5.240 4.757 0.483 1
1 705 . 20 1 1 A 69 69 VAL C C 69 174.900 174.664 0.236 1
1 706 . 20 1 1 A 69 69 VAL CA C 69 59.900 61.219 -1.319 1
1 707 . 20 1 1 A 69 69 VAL CB C 69 34.700 33.259 1.441 1
1 710 . 20 1 1 A 69 69 VAL N N 69 121.600 125.886 -4.286 1
1 711 . 20 1 1 A 70 70 SER H H 70 8.610 8.768 -0.158 1
1 712 . 20 1 1 A 70 70 SER HA H 70 5.210 5.007 0.203 1
1 715 . 20 1 1 A 70 70 SER C C 70 171.900 172.128 -0.228 1
1 716 . 20 1 1 A 70 70 SER CA C 70 56.600 56.811 -0.211 1
1 717 . 20 1 1 A 70 70 SER CB C 70 65.600 66.593 -0.993 1
1 718 . 20 1 1 A 70 70 SER N N 70 120.600 118.627 1.973 1
1 719 . 20 1 1 A 71 71 CYS H H 71 9.280 8.722 0.558 1
1 720 . 20 1 1 A 71 71 CYS HA H 71 4.130 4.784 -0.654 1
1 723 . 20 1 1 A 71 71 CYS C C 71 178.600 175.387 3.213 1
1 724 . 20 1 1 A 71 71 CYS CA C 71 61.600 57.528 4.072 1
1 725 . 20 1 1 A 71 71 CYS CB C 71 31.300 28.585 2.715 1
1 726 . 20 1 1 A 71 71 CYS N N 71 126.700 120.649 6.051 1
1 727 . 20 1 1 A 72 72 GLY H H 72 9.140 8.613 0.527 1
1 728 . 20 1 1 A 72 72 GLY HA2 H 72 3.760 3.874 -0.114 1
1 729 . 20 1 1 A 72 72 GLY HA3 H 72 3.670 3.875 -0.205 1
1 730 . 20 1 1 A 72 72 GLY C C 72 172.500 175.475 -2.975 1
1 731 . 20 1 1 A 72 72 GLY CA C 72 46.200 46.688 -0.488 1
1 732 . 20 1 1 A 72 72 GLY N N 72 120.100 114.522 5.578 1
1 733 . 20 1 1 A 73 73 LYS H H 73 9.090 7.946 1.144 1
1 734 . 20 1 1 A 73 73 LYS HA H 73 4.210 4.013 0.197 1
1 742 . 20 1 1 A 73 73 LYS C C 73 177.600 178.148 -0.548 1
1 743 . 20 1 1 A 73 73 LYS CA C 73 56.600 59.099 -2.499 1
1 744 . 20 1 1 A 73 73 LYS CB C 73 32.700 32.212 0.488 1
1 748 . 20 1 1 A 73 73 LYS N N 73 124.400 121.088 3.312 1
1 749 . 20 1 1 A 74 74 CYS H H 74 8.590 7.750 0.840 1
1 750 . 20 1 1 A 74 74 CYS HA H 74 4.910 4.514 0.396 1
1 753 . 20 1 1 A 74 74 CYS C C 74 177.400 175.159 2.241 1
1 754 . 20 1 1 A 74 74 CYS CA C 74 58.900 59.456 -0.556 1
1 755 . 20 1 1 A 74 74 CYS CB C 74 33.300 29.326 3.974 1
1 756 . 20 1 1 A 74 74 CYS N N 74 119.700 114.665 5.035 1
1 757 . 20 1 1 A 75 75 GLY H H 75 7.760 7.987 -0.227 1
1 758 . 20 1 1 A 75 75 GLY HA2 H 75 4.210 4.019 0.191 1
1 759 . 20 1 1 A 75 75 GLY HA3 H 75 3.750 4.023 -0.273 1
1 760 . 20 1 1 A 75 75 GLY C C 75 174.000 173.701 0.299 1
1 761 . 20 1 1 A 75 75 GLY CA C 75 46.100 45.334 0.766 1
1 762 . 20 1 1 A 75 75 GLY N N 75 113.000 109.787 3.213 1
1 763 . 20 1 1 A 76 76 ASN H H 76 9.050 8.159 0.891 1
1 764 . 20 1 1 A 76 76 ASN HA H 76 4.500 5.086 -0.586 1
1 769 . 20 1 1 A 76 76 ASN C C 76 178.700 174.527 4.173 1
1 770 . 20 1 1 A 76 76 ASN CA C 76 54.700 51.822 2.878 1
1 771 . 20 1 1 A 76 76 ASN CB C 76 39.800 41.571 -1.771 1
1 772 . 20 1 1 A 76 76 ASN N N 76 123.700 117.963 5.737 1
1 774 . 20 1 1 A 77 77 GLY H H 77 8.660 8.456 0.204 1
1 775 . 20 1 1 A 77 77 GLY HA2 H 77 3.970 3.956 0.014 1
1 776 . 20 1 1 A 77 77 GLY HA3 H 77 3.710 4.007 -0.297 1
1 777 . 20 1 1 A 77 77 GLY C C 77 173.800 173.781 0.019 1
1 778 . 20 1 1 A 77 77 GLY CA C 77 47.300 44.915 2.385 1
1 779 . 20 1 1 A 77 77 GLY N N 77 115.600 109.844 5.756 1
1 780 . 20 1 1 A 78 78 LEU H H 78 8.600 7.439 1.161 1
1 781 . 20 1 1 A 78 78 LEU HA H 78 4.810 4.393 0.417 1
1 791 . 20 1 1 A 78 78 LEU C C 78 173.800 175.735 -1.935 1
1 792 . 20 1 1 A 78 78 LEU CA C 78 54.900 55.729 -0.829 1
1 793 . 20 1 1 A 78 78 LEU CB C 78 45.000 44.568 0.432 1
1 797 . 20 1 1 A 78 78 LEU N N 78 122.700 120.818 1.882 1
1 798 . 20 1 1 A 79 79 GLY H H 79 7.100 7.450 -0.350 1
1 799 . 20 1 1 A 79 79 GLY HA2 H 79 4.650 4.295 0.355 1
1 800 . 20 1 1 A 79 79 GLY HA3 H 79 3.020 4.309 -1.289 1
1 801 . 20 1 1 A 79 79 GLY C C 79 173.000 171.680 1.320 1
1 802 . 20 1 1 A 79 79 GLY CA C 79 44.900 45.965 -1.065 1
1 803 . 20 1 1 A 79 79 GLY N N 79 102.400 106.472 -4.072 1
1 804 . 20 1 1 A 80 80 HIS H H 80 8.580 8.724 -0.144 1
1 805 . 20 1 1 A 80 80 HIS HA H 80 5.470 5.479 -0.009 1
1 810 . 20 1 1 A 80 80 HIS C C 80 172.300 173.665 -1.365 1
1 811 . 20 1 1 A 80 80 HIS CA C 80 55.000 54.649 0.351 1
1 812 . 20 1 1 A 80 80 HIS CB C 80 34.500 34.266 0.234 1
1 813 . 20 1 1 A 80 80 HIS N N 80 122.400 119.229 3.171 1
1 814 . 20 1 1 A 81 81 GLU H H 81 9.260 9.210 0.050 1
1 815 . 20 1 1 A 81 81 GLU HA H 81 4.100 4.738 -0.638 1
1 820 . 20 1 1 A 81 81 GLU C C 81 174.300 174.555 -0.255 1
1 821 . 20 1 1 A 81 81 GLU CA C 81 54.700 55.718 -1.018 1
1 822 . 20 1 1 A 81 81 GLU CB C 81 31.600 32.085 -0.485 1
1 824 . 20 1 1 A 81 81 GLU N N 81 123.700 121.384 2.316 1
1 825 . 20 1 1 A 82 82 PHE H H 82 9.150 9.409 -0.259 1
1 826 . 20 1 1 A 82 82 PHE HA H 82 5.080 4.946 0.134 1
1 830 . 20 1 1 A 82 82 PHE C C 82 174.300 174.313 -0.013 1
1 831 . 20 1 1 A 82 82 PHE CA C 82 56.700 56.450 0.250 1
1 832 . 20 1 1 A 82 82 PHE CB C 82 38.800 38.804 -0.004 1
1 833 . 20 1 1 A 82 82 PHE N N 82 126.900 129.565 -2.665 1
1 834 . 20 1 1 A 83 83 LEU H H 83 8.280 8.139 0.141 1
1 835 . 20 1 1 A 83 83 LEU HA H 83 4.100 4.679 -0.579 1
1 845 . 20 1 1 A 83 83 LEU C C 83 176.200 175.108 1.092 1
1 846 . 20 1 1 A 83 83 LEU CA C 83 55.500 53.310 2.190 1
1 847 . 20 1 1 A 83 83 LEU CB C 83 42.000 44.581 -2.581 1
1 849 . 20 1 1 A 83 83 LEU N N 83 126.900 126.570 0.330 1
1 850 . 20 1 1 A 84 84 ASN H H 84 9.260 8.778 0.482 1
1 851 . 20 1 1 A 84 84 ASN HA H 84 4.290 4.388 -0.098 1
1 856 . 20 1 1 A 84 84 ASN C C 84 174.400 174.303 0.097 1
1 857 . 20 1 1 A 84 84 ASN CA C 84 54.800 54.873 -0.073 1
1 858 . 20 1 1 A 84 84 ASN CB C 84 37.900 36.960 0.940 1
1 859 . 20 1 1 A 84 84 ASN N N 84 116.900 118.406 -1.506 1
1 861 . 20 1 1 A 85 85 ASP H H 85 7.140 7.931 -0.791 1
1 862 . 20 1 1 A 85 85 ASP HA H 85 5.200 4.891 0.309 1
1 865 . 20 1 1 A 85 85 ASP C C 85 176.000 176.188 -0.188 1
1 866 . 20 1 1 A 85 85 ASP CA C 85 53.800 54.858 -1.058 1
1 867 . 20 1 1 A 85 85 ASP CB C 85 45.500 42.886 2.614 1
1 868 . 20 1 1 A 85 85 ASP N N 85 117.200 118.026 -0.826 1
1 869 . 20 1 1 A 86 86 GLY H H 86 8.230 7.980 0.250 1
1 870 . 20 1 1 A 86 86 GLY HA2 H 86 4.140 4.487 -0.347 1
1 871 . 20 1 1 A 86 86 GLY HA3 H 86 3.280 4.511 -1.231 1
1 872 . 20 1 1 A 86 86 GLY C C 86 171.700 173.835 -2.135 1
1 873 . 20 1 1 A 86 86 GLY CA C 86 44.600 46.547 -1.947 1
1 874 . 20 1 1 A 86 86 GLY N N 86 107.600 106.748 0.852 1
1 875 . 20 1 1 A 87 87 PRO HA H 87 4.190 4.440 -0.250 1
1 882 . 20 1 1 A 87 87 PRO C C 87 177.000 178.389 -1.389 1
1 883 . 20 1 1 A 87 87 PRO CA C 87 65.200 64.626 0.574 1
1 884 . 20 1 1 A 87 87 PRO CB C 87 31.700 32.083 -0.383 1
1 887 . 20 1 1 A 88 88 LYS H H 88 7.310 8.105 -0.795 1
1 888 . 20 1 1 A 88 88 LYS HA H 88 4.480 4.350 0.130 1
1 897 . 20 1 1 A 88 88 LYS C C 88 175.700 177.434 -1.734 1
1 898 . 20 1 1 A 88 88 LYS CA C 88 53.700 58.489 -4.789 1
1 899 . 20 1 1 A 88 88 LYS CB C 88 34.900 32.811 2.089 1
1 903 . 20 1 1 A 88 88 LYS N N 88 116.200 116.507 -0.307 1
1 904 . 20 1 1 A 89 89 ARG H H 89 8.320 7.683 0.637 1
1 905 . 20 1 1 A 89 89 ARG HA H 89 4.010 4.404 -0.394 1
1 912 . 20 1 1 A 89 89 ARG C C 89 177.500 177.788 -0.288 1
1 913 . 20 1 1 A 89 89 ARG CA C 89 57.900 56.737 1.163 1
1 914 . 20 1 1 A 89 89 ARG CB C 89 32.100 31.085 1.015 1
1 917 . 20 1 1 A 89 89 ARG N N 89 122.200 119.427 2.773 1
1 919 . 20 1 1 A 90 90 GLY H H 90 8.950 8.661 0.289 1
1 920 . 20 1 1 A 90 90 GLY HA2 H 90 4.240 3.963 0.277 1
1 921 . 20 1 1 A 90 90 GLY HA3 H 90 3.850 3.966 -0.116 1
1 922 . 20 1 1 A 90 90 GLY C C 90 175.000 174.231 0.769 1
1 923 . 20 1 1 A 90 90 GLY CA C 90 45.100 45.309 -0.209 1
1 924 . 20 1 1 A 90 90 GLY N N 90 115.100 111.628 3.472 1
1 925 . 20 1 1 A 91 91 GLN H H 91 8.120 7.688 0.432 1
1 926 . 20 1 1 A 91 91 GLN HA H 91 4.580 4.325 0.255 1
1 933 . 20 1 1 A 91 91 GLN C C 91 177.000 175.498 1.502 1
1 934 . 20 1 1 A 91 91 GLN CA C 91 55.900 57.318 -1.418 1
1 935 . 20 1 1 A 91 91 GLN CB C 91 31.000 29.595 1.405 1
1 937 . 20 1 1 A 91 91 GLN N N 91 120.900 120.687 0.213 1
1 938 . 20 1 1 A 92 92 SER H H 92 9.210 8.775 0.435 1
1 939 . 20 1 1 A 92 92 SER HA H 92 4.820 5.199 -0.379 1
1 942 . 20 1 1 A 92 92 SER C C 92 171.600 172.863 -1.263 1
1 943 . 20 1 1 A 92 92 SER CA C 92 57.700 58.005 -0.305 1
1 944 . 20 1 1 A 92 92 SER CB C 92 65.200 65.695 -0.495 1
1 945 . 20 1 1 A 92 92 SER N N 92 120.900 116.602 4.298 1
1 946 . 20 1 1 A 93 93 ARG H H 93 7.820 8.894 -1.074 1
1 947 . 20 1 1 A 93 93 ARG HA H 93 4.950 5.031 -0.081 1
1 952 . 20 1 1 A 93 93 ARG C C 93 176.400 174.037 2.363 1
1 953 . 20 1 1 A 93 93 ARG CA C 93 55.200 54.702 0.498 1
1 954 . 20 1 1 A 93 93 ARG CB C 93 34.600 33.923 0.677 1
1 957 . 20 1 1 A 93 93 ARG N N 93 117.800 121.683 -3.883 1
1 958 . 20 1 1 A 94 94 PHE H H 94 9.860 9.256 0.604 1
1 959 . 20 1 1 A 94 94 PHE HA H 94 4.780 5.215 -0.435 1
1 962 . 20 1 1 A 94 94 PHE C C 94 176.400 175.545 0.855 1
1 963 . 20 1 1 A 94 94 PHE CA C 94 58.300 57.712 0.588 1
1 964 . 20 1 1 A 94 94 PHE CB C 94 38.500 40.742 -2.242 1
1 965 . 20 1 1 A 94 94 PHE N N 94 127.100 121.557 5.543 1
1 966 . 20 1 1 A 95 95 CYS H H 95 9.190 9.003 0.187 1
1 967 . 20 1 1 A 95 95 CYS HA H 95 4.810 4.773 0.037 1
1 970 . 20 1 1 A 95 95 CYS CA C 95 57.300 59.096 -1.796 1
1 971 . 20 1 1 A 95 95 CYS CB C 95 28.700 29.154 -0.454 1
1 972 . 20 1 1 A 95 95 CYS N N 95 128.200 122.820 5.380 1
1 973 . 20 1 1 A 96 96 ILE H H 96 7.510 8.642 -1.132 1
1 974 . 20 1 1 A 96 96 ILE HA H 96 4.620 5.046 -0.426 1
1 983 . 20 1 1 A 96 96 ILE C C 96 173.700 173.636 0.064 1
1 984 . 20 1 1 A 96 96 ILE CA C 96 55.800 58.806 -3.006 1
1 985 . 20 1 1 A 96 96 ILE CB C 96 39.900 42.452 -2.552 1
1 989 . 20 1 1 A 96 96 ILE N N 96 130.700 122.689 8.011 1
1 990 . 20 1 1 A 97 97 PHE H H 97 8.040 8.751 -0.711 1
1 991 . 20 1 1 A 97 97 PHE HA H 97 4.920 4.980 -0.060 1
1 994 . 20 1 1 A 97 97 PHE C C 97 178.800 176.879 1.921 1
1 995 . 20 1 1 A 97 97 PHE CA C 97 57.500 56.790 0.710 1
1 996 . 20 1 1 A 97 97 PHE CB C 97 38.400 42.070 -3.670 1
1 997 . 20 1 1 A 97 97 PHE N N 97 122.400 123.833 -1.433 1
1 998 . 20 1 1 A 98 98 SER HA H 98 4.380 4.471 -0.091 1
1 1001 . 20 1 1 A 98 98 SER C C 98 176.400 175.754 0.646 1
1 1002 . 20 1 1 A 98 98 SER CA C 98 64.900 60.216 4.684 1
1 1003 . 20 1 1 A 98 98 SER CB C 98 63.600 63.853 -0.253 1
1 1004 . 20 1 1 A 99 99 SER H H 99 9.360 8.034 1.326 1
1 1005 . 20 1 1 A 99 99 SER HA H 99 4.300 4.450 -0.150 1
1 1008 . 20 1 1 A 99 99 SER C C 99 175.800 175.888 -0.088 1
1 1009 . 20 1 1 A 99 99 SER CA C 99 60.200 59.847 0.353 1
1 1010 . 20 1 1 A 99 99 SER CB C 99 62.700 63.272 -0.572 1
1 1011 . 20 1 1 A 99 99 SER N N 99 114.100 116.671 -2.571 1
1 1012 . 20 1 1 A 100 100 SER H H 100 8.150 8.228 -0.078 1
1 1013 . 20 1 1 A 100 100 SER HA H 100 4.630 4.446 0.184 1
1 1016 . 20 1 1 A 100 100 SER C C 100 173.500 174.701 -1.201 1
1 1017 . 20 1 1 A 100 100 SER CA C 100 60.400 60.941 -0.541 1
1 1018 . 20 1 1 A 100 100 SER CB C 100 63.600 63.934 -0.334 1
1 1019 . 20 1 1 A 100 100 SER N N 100 118.700 115.150 3.550 1
1 1020 . 20 1 1 A 101 101 LEU H H 101 8.100 7.887 0.213 1
1 1021 . 20 1 1 A 101 101 LEU HA H 101 5.570 4.844 0.726 1
1 1031 . 20 1 1 A 101 101 LEU C C 101 176.000 174.545 1.455 1
1 1032 . 20 1 1 A 101 101 LEU CA C 101 53.400 53.841 -0.441 1
1 1033 . 20 1 1 A 101 101 LEU CB C 101 46.700 43.949 2.751 1
1 1036 . 20 1 1 A 101 101 LEU N N 101 122.000 115.430 6.570 1
1 1037 . 20 1 1 A 102 102 LYS H H 102 8.950 8.284 0.666 1
1 1038 . 20 1 1 A 102 102 LYS HA H 102 4.710 5.143 -0.433 1
1 1045 . 20 1 1 A 102 102 LYS C C 102 174.400 174.853 -0.453 1
1 1046 . 20 1 1 A 102 102 LYS CA C 102 55.400 54.557 0.843 1
1 1047 . 20 1 1 A 102 102 LYS CB C 102 36.500 36.123 0.377 1
1 1051 . 20 1 1 A 102 102 LYS N N 102 119.500 119.160 0.340 1
1 1052 . 20 1 1 A 103 103 PHE H H 103 9.010 8.925 0.085 1
1 1053 . 20 1 1 A 103 103 PHE HA H 103 4.750 4.873 -0.123 1
1 1056 . 20 1 1 A 103 103 PHE C C 103 173.900 173.334 0.566 1
1 1057 . 20 1 1 A 103 103 PHE CA C 103 57.100 55.387 1.713 1
1 1058 . 20 1 1 A 103 103 PHE CB C 103 41.300 41.829 -0.529 1
1 1059 . 20 1 1 A 103 103 PHE N N 103 124.500 122.924 1.576 1
1 1060 . 20 1 1 A 104 104 VAL H H 104 8.550 8.587 -0.037 1
1 1061 . 20 1 1 A 104 104 VAL HA H 104 4.140 4.575 -0.435 1
1 1069 . 20 1 1 A 104 104 VAL C C 104 172.800 173.525 -0.725 1
1 1070 . 20 1 1 A 104 104 VAL CA C 104 58.800 58.522 0.278 1
1 1071 . 20 1 1 A 104 104 VAL CB C 104 32.300 33.100 -0.800 1
1 1074 . 20 1 1 A 104 104 VAL N N 104 132.000 127.864 4.136 1
1 1075 . 20 1 1 A 105 105 PRO HA H 105 4.110 4.125 -0.015 1
1 1082 . 20 1 1 A 105 105 PRO C C 105 176.400 176.872 -0.472 1
1 1083 . 20 1 1 A 105 105 PRO CA C 105 62.400 63.002 -0.602 1
1 1084 . 20 1 1 A 105 105 PRO CB C 105 32.400 32.093 0.307 1
1 1087 . 20 1 1 A 106 106 LYS H H 106 7.900 8.755 -0.855 1
1 1088 . 20 1 1 A 106 106 LYS HA H 106 4.170 4.050 0.120 1
1 1096 . 20 1 1 A 106 106 LYS C C 106 176.900 176.058 0.842 1
1 1097 . 20 1 1 A 106 106 LYS CA C 106 56.700 56.868 -0.168 1
1 1098 . 20 1 1 A 106 106 LYS CB C 106 33.500 32.227 1.273 1
1 1102 . 20 1 1 A 106 106 LYS N N 106 123.200 123.198 0.002 1
1 1103 . 20 1 1 A 107 107 GLY H H 107 8.740 8.056 0.684 1
1 1104 . 20 1 1 A 107 107 GLY HA2 H 107 3.930 3.955 -0.025 1
1 1105 . 20 1 1 A 107 107 GLY HA3 H 107 3.960 3.965 -0.005 1
1 1106 . 20 1 1 A 107 107 GLY C C 107 174.000 175.365 -1.365 1
1 1107 . 20 1 1 A 107 107 GLY CA C 107 45.000 45.582 -0.582 1
1 1108 . 20 1 1 A 107 107 GLY N N 107 113.500 109.006 4.494 1
1 1109 . 20 1 1 A 108 108 LYS H H 108 8.240 8.375 -0.135 1
1 1110 . 20 1 1 A 108 108 LYS HA H 108 4.290 4.066 0.224 1
1 1118 . 20 1 1 A 108 108 LYS C C 108 176.700 178.977 -2.277 1
1 1119 . 20 1 1 A 108 108 LYS CA C 108 56.000 59.222 -3.222 1
1 1120 . 20 1 1 A 108 108 LYS CB C 108 32.700 32.493 0.207 1
1 1124 . 20 1 1 A 108 108 LYS N N 108 121.500 122.365 -0.865 1
1 1125 . 20 1 1 A 109 109 GLU H H 109 8.650 7.985 0.665 1
1 1126 . 20 1 1 A 109 109 GLU HA H 109 4.180 4.053 0.127 1
1 1131 . 20 1 1 A 109 109 GLU C C 109 176.500 176.255 0.245 1
1 1132 . 20 1 1 A 109 109 GLU CA C 109 56.600 59.253 -2.653 1
1 1133 . 20 1 1 A 109 109 GLU CB C 109 29.900 29.320 0.580 1
1 1135 . 20 1 1 A 109 109 GLU N N 109 122.800 119.863 2.937 1
1 1136 . 20 1 1 A 110 110 ALA H H 110 8.400 7.832 0.568 1
1 1137 . 20 1 1 A 110 110 ALA HA H 110 4.190 4.050 0.140 1
1 1141 . 20 1 1 A 110 110 ALA CA C 110 52.500 52.962 -0.462 1
1 1142 . 20 1 1 A 110 110 ALA CB C 110 19.000 17.890 1.110 1
1 1143 . 20 1 1 A 110 110 ALA N N 110 126.100 121.549 4.551 1
1 1144 . 20 1 1 A 111 111 ALA H H 111 8.240 8.467 -0.227 1
1 1145 . 20 1 1 A 111 111 ALA HA H 111 4.220 3.897 0.323 1
1 1149 . 20 1 1 A 111 111 ALA C C 111 177.800 176.887 0.913 1
1 1150 . 20 1 1 A 111 111 ALA CA C 111 52.600 54.327 -1.727 1
1 1151 . 20 1 1 A 111 111 ALA CB C 111 19.000 18.038 0.962 1
1 1152 . 20 1 1 A 111 111 ALA N N 111 123.800 122.989 0.811 1
1 1153 . 20 1 1 A 112 112 ALA H H 112 8.220 8.778 -0.558 1
1 1154 . 20 1 1 A 112 112 ALA HA H 112 4.250 3.921 0.329 1
1 1158 . 20 1 1 A 112 112 ALA C C 112 178.100 176.775 1.325 1
1 1159 . 20 1 1 A 112 112 ALA CA C 112 52.600 52.816 -0.216 1
1 1160 . 20 1 1 A 112 112 ALA CB C 112 19.100 17.787 1.313 1
1 1161 . 20 1 1 A 112 112 ALA N N 112 123.600 119.462 4.138 1
1 1162 . 20 1 1 A 113 113 SER H H 113 8.200 7.769 0.431 1
1 1163 . 20 1 1 A 113 113 SER HA H 113 4.360 4.799 -0.439 1
1 1166 . 20 1 1 A 113 113 SER C C 113 174.800 174.273 0.527 1
1 1167 . 20 1 1 A 113 113 SER CA C 113 58.300 57.091 1.209 1
1 1168 . 20 1 1 A 113 113 SER CB C 113 63.500 63.024 0.476 1
1 1169 . 20 1 1 A 113 113 SER N N 113 115.400 110.318 5.082 1
1 1170 . 20 1 1 A 114 114 GLN H H 114 8.320 8.195 0.125 1
1 1171 . 20 1 1 A 114 114 GLN HA H 114 4.290 4.688 -0.398 1
1 1178 . 20 1 1 A 114 114 GLN C C 114 176.500 175.178 1.322 1
1 1179 . 20 1 1 A 114 114 GLN CA C 114 55.900 55.277 0.623 1
1 1180 . 20 1 1 A 114 114 GLN CB C 114 29.300 31.026 -1.726 1
1 1182 . 20 1 1 A 114 114 GLN N N 114 122.500 122.146 0.354 1
1 1183 . 20 1 1 A 115 115 GLY H H 115 8.370 8.627 -0.257 1
1 1184 . 20 1 1 A 115 115 GLY HA2 H 115 3.850 4.189 -0.339 1
1 1185 . 20 1 1 A 115 115 GLY HA3 H 115 3.850 4.198 -0.348 1
1 1186 . 20 1 1 A 115 115 GLY C C 115 173.900 172.206 1.694 1
1 1187 . 20 1 1 A 115 115 GLY CA C 115 45.400 45.818 -0.418 1
1 1188 . 20 1 1 A 115 115 GLY N N 115 110.000 109.161 0.839 1
1 1189 . 20 1 1 A 116 116 HIS H H 116 8.290 8.765 -0.475 1
1 1190 . 20 1 1 A 116 116 HIS HA H 116 4.620 5.126 -0.506 1
1 1195 . 20 1 1 A 116 116 HIS C C 116 174.600 172.286 2.314 1
1 1196 . 20 1 1 A 116 116 HIS CA C 116 55.500 54.496 1.004 1
1 1197 . 20 1 1 A 116 116 HIS CB C 116 29.100 31.604 -2.504 1
1 1198 . 20 1 1 A 116 116 HIS N N 116 119.100 119.723 -0.623 1
1 1199 . 20 1 1 A 117 117 LEU H H 117 8.220 8.839 -0.619 1
1 1200 . 20 1 1 A 117 117 LEU HA H 117 4.240 4.836 -0.596 1
1 1210 . 20 1 1 A 117 117 LEU C C 117 174.600 174.900 -0.300 1
1 1211 . 20 1 1 A 117 117 LEU CA C 117 55.100 53.664 1.436 1
1 1212 . 20 1 1 A 117 117 LEU CB C 117 42.300 46.910 -4.610 1
1 1216 . 20 1 1 A 117 117 LEU N N 117 124.100 121.129 2.971 1
1 1217 . 20 1 1 A 118 118 GLU H H 118 8.350 8.994 -0.644 1
1 1218 . 20 1 1 A 118 118 GLU HA H 118 4.160 5.255 -1.095 1
1 1223 . 20 1 1 A 118 118 GLU C C 118 176.000 174.656 1.344 1
1 1224 . 20 1 1 A 118 118 GLU CA C 118 56.300 54.454 1.846 1
1 1225 . 20 1 1 A 118 118 GLU CB C 118 30.300 33.923 -3.623 1
1 1227 . 20 1 1 A 118 118 GLU N N 118 122.300 120.083 2.217 1
1 1228 . 20 1 1 A 119 119 HIS H H 119 8.410 8.607 -0.197 1
1 1229 . 20 1 1 A 119 119 HIS HA H 119 4.570 5.240 -0.670 1
1 1232 . 20 1 1 A 119 119 HIS C C 119 174.500 173.170 1.330 1
1 1233 . 20 1 1 A 119 119 HIS CA C 119 55.400 54.770 0.630 1
1 1234 . 20 1 1 A 119 119 HIS CB C 119 29.400 32.191 -2.791 1
1 1235 . 20 1 1 A 119 119 HIS N N 119 120.500 115.708 4.792 1
1 1236 . 20 1 1 A 120 120 HIS H H 120 8.530 8.854 -0.324 1
1 1237 . 20 1 1 A 120 120 HIS HA H 120 4.640 4.834 -0.194 1
1 1240 . 20 1 1 A 120 120 HIS C C 120 174.400 172.945 1.455 1
1 1241 . 20 1 1 A 120 120 HIS CA C 120 57.900 56.183 1.717 1
1 1242 . 20 1 1 A 120 120 HIS CB C 120 29.400 32.740 -3.340 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 114 1.451 1
2 1 1 1 "RMS(OBS, PRED)" CA 118 1.773 1
3 1 1 1 "RMS(OBS, PRED)" CB 107 1.898 1
4 1 1 1 "RMS(OBS, PRED)" H 107 0.700 1
5 1 1 1 "RMS(OBS, PRED)" HA 129 0.492 1
6 1 1 1 "RMS(OBS, PRED)" N 106 3.804 1
7 1 2 1 "RMS(OBS, PRED)" C 114 1.459 1
8 1 2 1 "RMS(OBS, PRED)" CA 118 1.690 1
9 1 2 1 "RMS(OBS, PRED)" CB 107 1.769 1
10 1 2 1 "RMS(OBS, PRED)" H 107 0.721 1
11 1 2 1 "RMS(OBS, PRED)" HA 129 0.494 1
12 1 2 1 "RMS(OBS, PRED)" N 106 3.866 1
13 1 3 1 "RMS(OBS, PRED)" C 114 1.492 1
14 1 3 1 "RMS(OBS, PRED)" CA 118 1.685 1
15 1 3 1 "RMS(OBS, PRED)" CB 107 1.818 1
16 1 3 1 "RMS(OBS, PRED)" H 107 0.696 1
17 1 3 1 "RMS(OBS, PRED)" HA 129 0.499 1
18 1 3 1 "RMS(OBS, PRED)" N 106 4.087 1
19 1 4 1 "RMS(OBS, PRED)" C 114 1.455 1
20 1 4 1 "RMS(OBS, PRED)" CA 118 1.755 1
21 1 4 1 "RMS(OBS, PRED)" CB 107 1.903 1
22 1 4 1 "RMS(OBS, PRED)" H 107 0.665 1
23 1 4 1 "RMS(OBS, PRED)" HA 129 0.474 1
24 1 4 1 "RMS(OBS, PRED)" N 106 3.862 1
25 1 5 1 "RMS(OBS, PRED)" C 114 1.397 1
26 1 5 1 "RMS(OBS, PRED)" CA 118 1.744 1
27 1 5 1 "RMS(OBS, PRED)" CB 107 1.957 1
28 1 5 1 "RMS(OBS, PRED)" H 107 0.719 1
29 1 5 1 "RMS(OBS, PRED)" HA 129 0.494 1
30 1 5 1 "RMS(OBS, PRED)" N 106 3.901 1
31 1 6 1 "RMS(OBS, PRED)" C 114 1.460 1
32 1 6 1 "RMS(OBS, PRED)" CA 118 1.708 1
33 1 6 1 "RMS(OBS, PRED)" CB 107 1.817 1
34 1 6 1 "RMS(OBS, PRED)" H 107 0.696 1
35 1 6 1 "RMS(OBS, PRED)" HA 129 0.476 1
36 1 6 1 "RMS(OBS, PRED)" N 106 4.015 1
37 1 7 1 "RMS(OBS, PRED)" C 114 1.499 1
38 1 7 1 "RMS(OBS, PRED)" CA 118 1.746 1
39 1 7 1 "RMS(OBS, PRED)" CB 107 1.865 1
40 1 7 1 "RMS(OBS, PRED)" H 107 0.716 1
41 1 7 1 "RMS(OBS, PRED)" HA 129 0.462 1
42 1 7 1 "RMS(OBS, PRED)" N 106 4.361 1
43 1 8 1 "RMS(OBS, PRED)" C 114 1.503 1
44 1 8 1 "RMS(OBS, PRED)" CA 118 1.826 1
45 1 8 1 "RMS(OBS, PRED)" CB 107 1.757 1
46 1 8 1 "RMS(OBS, PRED)" H 107 0.645 1
47 1 8 1 "RMS(OBS, PRED)" HA 129 0.492 1
48 1 8 1 "RMS(OBS, PRED)" N 106 3.976 1
49 1 9 1 "RMS(OBS, PRED)" C 114 1.465 1
50 1 9 1 "RMS(OBS, PRED)" CA 118 1.801 1
51 1 9 1 "RMS(OBS, PRED)" CB 107 1.892 1
52 1 9 1 "RMS(OBS, PRED)" H 107 0.679 1
53 1 9 1 "RMS(OBS, PRED)" HA 129 0.510 1
54 1 9 1 "RMS(OBS, PRED)" N 106 4.003 1
55 1 10 1 "RMS(OBS, PRED)" C 114 1.486 1
56 1 10 1 "RMS(OBS, PRED)" CA 118 1.780 1
57 1 10 1 "RMS(OBS, PRED)" CB 107 1.946 1
58 1 10 1 "RMS(OBS, PRED)" H 107 0.705 1
59 1 10 1 "RMS(OBS, PRED)" HA 129 0.462 1
60 1 10 1 "RMS(OBS, PRED)" N 106 3.890 1
61 1 11 1 "RMS(OBS, PRED)" C 114 1.471 1
62 1 11 1 "RMS(OBS, PRED)" CA 118 1.731 1
63 1 11 1 "RMS(OBS, PRED)" CB 107 1.841 1
64 1 11 1 "RMS(OBS, PRED)" H 107 0.660 1
65 1 11 1 "RMS(OBS, PRED)" HA 129 0.515 1
66 1 11 1 "RMS(OBS, PRED)" N 106 4.290 1
67 1 12 1 "RMS(OBS, PRED)" C 114 1.532 1
68 1 12 1 "RMS(OBS, PRED)" CA 118 1.866 1
69 1 12 1 "RMS(OBS, PRED)" CB 107 1.790 1
70 1 12 1 "RMS(OBS, PRED)" H 107 0.694 1
71 1 12 1 "RMS(OBS, PRED)" HA 129 0.511 1
72 1 12 1 "RMS(OBS, PRED)" N 106 4.067 1
73 1 13 1 "RMS(OBS, PRED)" C 114 1.421 1
74 1 13 1 "RMS(OBS, PRED)" CA 118 1.743 1
75 1 13 1 "RMS(OBS, PRED)" CB 107 1.754 1
76 1 13 1 "RMS(OBS, PRED)" H 107 0.719 1
77 1 13 1 "RMS(OBS, PRED)" HA 129 0.488 1
78 1 13 1 "RMS(OBS, PRED)" N 106 4.267 1
79 1 14 1 "RMS(OBS, PRED)" C 114 1.501 1
80 1 14 1 "RMS(OBS, PRED)" CA 118 1.767 1
81 1 14 1 "RMS(OBS, PRED)" CB 107 1.792 1
82 1 14 1 "RMS(OBS, PRED)" H 107 0.696 1
83 1 14 1 "RMS(OBS, PRED)" HA 129 0.451 1
84 1 14 1 "RMS(OBS, PRED)" N 106 4.130 1
85 1 15 1 "RMS(OBS, PRED)" C 114 1.441 1
86 1 15 1 "RMS(OBS, PRED)" CA 118 1.786 1
87 1 15 1 "RMS(OBS, PRED)" CB 107 1.808 1
88 1 15 1 "RMS(OBS, PRED)" H 107 0.729 1
89 1 15 1 "RMS(OBS, PRED)" HA 129 0.494 1
90 1 15 1 "RMS(OBS, PRED)" N 106 4.288 1
91 1 16 1 "RMS(OBS, PRED)" C 114 1.526 1
92 1 16 1 "RMS(OBS, PRED)" CA 118 1.812 1
93 1 16 1 "RMS(OBS, PRED)" CB 107 2.021 1
94 1 16 1 "RMS(OBS, PRED)" H 107 0.713 1
95 1 16 1 "RMS(OBS, PRED)" HA 129 0.494 1
96 1 16 1 "RMS(OBS, PRED)" N 106 3.938 1
97 1 17 1 "RMS(OBS, PRED)" C 114 1.525 1
98 1 17 1 "RMS(OBS, PRED)" CA 118 1.719 1
99 1 17 1 "RMS(OBS, PRED)" CB 107 2.036 1
100 1 17 1 "RMS(OBS, PRED)" H 107 0.706 1
101 1 17 1 "RMS(OBS, PRED)" HA 129 0.485 1
102 1 17 1 "RMS(OBS, PRED)" N 106 4.108 1
103 1 18 1 "RMS(OBS, PRED)" C 114 1.483 1
104 1 18 1 "RMS(OBS, PRED)" CA 118 1.764 1
105 1 18 1 "RMS(OBS, PRED)" CB 107 2.016 1
106 1 18 1 "RMS(OBS, PRED)" H 107 0.698 1
107 1 18 1 "RMS(OBS, PRED)" HA 129 0.475 1
108 1 18 1 "RMS(OBS, PRED)" N 106 3.903 1
109 1 19 1 "RMS(OBS, PRED)" C 114 1.469 1
110 1 19 1 "RMS(OBS, PRED)" CA 118 1.817 1
111 1 19 1 "RMS(OBS, PRED)" CB 107 1.926 1
112 1 19 1 "RMS(OBS, PRED)" H 107 0.708 1
113 1 19 1 "RMS(OBS, PRED)" HA 129 0.495 1
114 1 19 1 "RMS(OBS, PRED)" N 106 4.080 1
115 1 20 1 "RMS(OBS, PRED)" C 114 1.413 1
116 1 20 1 "RMS(OBS, PRED)" CA 118 1.774 1
117 1 20 1 "RMS(OBS, PRED)" CB 107 1.982 1
118 1 20 1 "RMS(OBS, PRED)" H 107 0.665 1
119 1 20 1 "RMS(OBS, PRED)" HA 129 0.491 1
120 1 20 1 "RMS(OBS, PRED)" N 106 3.774 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_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 A 3 3 PHE HA H 3 4.650 4.734 -0.084 2
1 4 . 1 1 A 3 3 PHE C C 3 174.500 174.354 0.146 2
1 5 . 1 1 A 3 3 PHE CA C 3 57.800 57.879 -0.079 2
1 6 . 1 1 A 3 3 PHE CB C 3 39.600 39.820 -0.220 2
1 7 . 1 1 A 4 4 CYS H H 4 8.270 8.523 -0.253 2
1 8 . 1 1 A 4 4 CYS HA H 4 4.380 4.790 -0.410 2
1 11 . 1 1 A 4 4 CYS C C 4 173.800 173.549 0.251 2
1 12 . 1 1 A 4 4 CYS CA C 4 58.100 58.765 -0.665 2
1 13 . 1 1 A 4 4 CYS CB C 4 28.100 29.552 -1.452 2
1 14 . 1 1 A 4 4 CYS N N 4 122.600 119.915 2.685 2
1 15 . 1 1 A 5 5 SER H H 5 8.250 8.549 -0.299 2
1 16 . 1 1 A 5 5 SER HA H 5 4.270 4.865 -0.595 2
1 19 . 1 1 A 5 5 SER C C 5 173.700 173.242 0.458 2
1 20 . 1 1 A 5 5 SER CA C 5 58.300 57.819 0.481 2
1 21 . 1 1 A 5 5 SER CB C 5 63.700 64.724 -1.024 2
1 22 . 1 1 A 5 5 SER N N 5 119.600 117.197 2.403 2
1 23 . 1 1 A 6 6 PHE H H 6 8.010 8.609 -0.599 2
1 24 . 1 1 A 6 6 PHE HA H 6 4.560 5.072 -0.512 2
1 28 . 1 1 A 6 6 PHE C C 6 173.700 174.488 -0.788 2
1 29 . 1 1 A 6 6 PHE CA C 6 57.600 56.709 0.891 2
1 30 . 1 1 A 6 6 PHE CB C 6 39.700 41.748 -2.048 2
1 31 . 1 1 A 6 6 PHE N N 6 122.500 123.047 -0.547 2
1 32 . 1 1 A 7 7 PHE H H 7 8.230 8.631 -0.401 2
1 33 . 1 1 A 7 7 PHE HA H 7 4.530 4.957 -0.427 2
1 36 . 1 1 A 7 7 PHE C C 7 175.800 175.075 0.725 2
1 37 . 1 1 A 7 7 PHE CA C 7 57.600 56.893 0.707 2
1 38 . 1 1 A 7 7 PHE CB C 7 39.700 41.028 -1.328 2
1 39 . 1 1 A 7 7 PHE N N 7 123.000 119.372 3.628 2
1 40 . 1 1 A 8 8 GLY H H 8 7.870 8.382 -0.512 2
1 41 . 1 1 A 8 8 GLY HA2 H 8 3.800 4.086 -0.286 2
1 42 . 1 1 A 8 8 GLY HA3 H 8 3.750 4.142 -0.392 2
1 43 . 1 1 A 8 8 GLY C C 8 174.300 174.800 -0.500 2
1 44 . 1 1 A 8 8 GLY CA C 8 45.300 46.063 -0.763 2
1 45 . 1 1 A 8 8 GLY N N 8 111.200 109.472 1.728 2
1 46 . 1 1 A 9 9 GLY H H 9 7.930 8.108 -0.178 2
1 47 . 1 1 A 9 9 GLY HA2 H 9 3.920 4.052 -0.132 2
1 48 . 1 1 A 9 9 GLY HA3 H 9 3.850 4.096 -0.246 2
1 49 . 1 1 A 9 9 GLY C C 9 175.200 173.120 2.080 2
1 50 . 1 1 A 9 9 GLY CA C 9 45.100 45.773 -0.673 2
1 51 . 1 1 A 9 9 GLY N N 9 108.400 106.705 1.695 2
1 52 . 1 1 A 10 10 GLU H H 10 8.400 8.300 0.100 2
1 53 . 1 1 A 10 10 GLU HA H 10 4.360 4.873 -0.513 2
1 58 . 1 1 A 10 10 GLU C C 10 178.400 175.860 2.540 2
1 59 . 1 1 A 10 10 GLU CA C 10 54.700 54.892 -0.192 2
1 60 . 1 1 A 10 10 GLU CB C 10 36.700 33.019 3.682 2
1 62 . 1 1 A 10 10 GLU N N 10 122.600 121.408 1.192 2
1 63 . 1 1 A 11 11 VAL H H 11 7.940 8.617 -0.677 2
1 64 . 1 1 A 11 11 VAL HA H 11 3.680 4.327 -0.647 2
1 72 . 1 1 A 11 11 VAL C C 11 176.600 176.361 0.239 2
1 73 . 1 1 A 11 11 VAL CA C 11 63.800 61.919 1.881 2
1 74 . 1 1 A 11 11 VAL CB C 11 31.200 32.883 -1.682 2
1 77 . 1 1 A 11 11 VAL N N 11 120.300 122.835 -2.535 2
1 78 . 1 1 A 12 12 PHE H H 12 7.730 7.921 -0.191 2
1 79 . 1 1 A 12 12 PHE HA H 12 5.200 4.393 0.807 2
1 83 . 1 1 A 12 12 PHE C C 12 177.100 176.732 0.368 2
1 84 . 1 1 A 12 12 PHE CA C 12 55.700 58.688 -2.988 2
1 85 . 1 1 A 12 12 PHE CB C 12 38.200 38.484 -0.284 2
1 86 . 1 1 A 12 12 PHE N N 12 113.700 120.588 -6.888 2
1 87 . 1 1 A 13 13 GLN H H 13 8.080 7.936 0.144 2
1 88 . 1 1 A 13 13 GLN HA H 13 3.270 3.915 -0.645 2
1 95 . 1 1 A 13 13 GLN C C 13 175.400 177.368 -1.968 2
1 96 . 1 1 A 13 13 GLN CA C 13 62.100 58.263 3.837 2
1 97 . 1 1 A 13 13 GLN CB C 13 27.100 28.435 -1.335 2
1 99 . 1 1 A 13 13 GLN N N 13 126.400 119.435 6.965 2
1 100 . 1 1 A 14 14 ASN H H 14 8.580 7.782 0.798 2
1 101 . 1 1 A 14 14 ASN HA H 14 5.010 4.720 0.290 2
1 106 . 1 1 A 14 14 ASN C C 14 173.000 175.436 -2.436 2
1 107 . 1 1 A 14 14 ASN CA C 14 51.500 54.315 -2.815 2
1 108 . 1 1 A 14 14 ASN CB C 14 37.900 39.337 -1.437 2
1 109 . 1 1 A 14 14 ASN N N 14 115.900 116.686 -0.786 2
1 111 . 1 1 A 15 15 HIS H H 15 6.070 7.554 -1.484 2
1 112 . 1 1 A 15 15 HIS HA H 15 4.370 4.630 -0.260 2
1 117 . 1 1 A 15 15 HIS C C 15 174.400 175.174 -0.774 2
1 118 . 1 1 A 15 15 HIS CA C 15 56.600 55.804 0.796 2
1 119 . 1 1 A 15 15 HIS CB C 15 33.400 30.393 3.007 2
1 120 . 1 1 A 15 15 HIS N N 15 120.500 117.011 3.489 2
1 121 . 1 1 A 16 16 PHE H H 16 8.880 8.632 0.248 2
1 122 . 1 1 A 16 16 PHE HA H 16 4.870 4.586 0.284 2
1 125 . 1 1 A 16 16 PHE C C 16 174.300 175.170 -0.870 2
1 126 . 1 1 A 16 16 PHE CA C 16 57.100 56.993 0.107 2
1 127 . 1 1 A 16 16 PHE CB C 16 39.700 38.684 1.016 2
1 128 . 1 1 A 16 16 PHE N N 16 127.200 121.559 5.641 2
1 129 . 1 1 A 17 17 GLU H H 17 5.780 7.797 -2.017 2
1 130 . 1 1 A 17 17 GLU HA H 17 4.500 4.604 -0.104 2
1 135 . 1 1 A 17 17 GLU C C 17 174.300 174.714 -0.414 2
1 136 . 1 1 A 17 17 GLU CA C 17 53.500 54.703 -1.204 2
1 137 . 1 1 A 17 17 GLU CB C 17 30.700 29.291 1.409 2
1 139 . 1 1 A 17 17 GLU N N 17 119.900 120.375 -0.475 2
1 140 . 1 1 A 18 18 PRO HA H 18 4.630 4.567 0.063 2
1 147 . 1 1 A 18 18 PRO C C 18 178.100 176.377 1.723 2
1 148 . 1 1 A 18 18 PRO CA C 18 62.700 62.928 -0.228 2
1 149 . 1 1 A 18 18 PRO CB C 18 31.400 32.770 -1.370 2
1 152 . 1 1 A 19 19 GLY H H 19 8.820 8.390 0.430 2
1 153 . 1 1 A 19 19 GLY HA2 H 19 4.500 3.832 0.668 2
1 154 . 1 1 A 19 19 GLY HA3 H 19 3.630 4.010 -0.380 2
1 155 . 1 1 A 19 19 GLY C C 19 171.000 172.026 -1.026 2
1 156 . 1 1 A 19 19 GLY CA C 19 46.200 44.858 1.342 2
1 157 . 1 1 A 19 19 GLY N N 19 111.300 107.896 3.404 2
1 158 . 1 1 A 20 20 VAL H H 20 8.070 7.960 0.110 2
1 159 . 1 1 A 20 20 VAL HA H 20 4.750 4.783 -0.033 2
1 167 . 1 1 A 20 20 VAL C C 20 172.300 173.566 -1.266 2
1 168 . 1 1 A 20 20 VAL CA C 20 60.200 59.927 0.273 2
1 169 . 1 1 A 20 20 VAL CB C 20 36.100 35.521 0.579 2
1 172 . 1 1 A 20 20 VAL N N 20 120.700 118.881 1.819 2
1 173 . 1 1 A 21 21 TYR H H 21 9.560 8.568 0.992 2
1 174 . 1 1 A 21 21 TYR HA H 21 5.230 5.369 -0.139 2
1 177 . 1 1 A 21 21 TYR C C 21 175.600 174.830 0.770 2
1 178 . 1 1 A 21 21 TYR CA C 21 56.800 56.053 0.748 2
1 179 . 1 1 A 21 21 TYR CB C 21 39.200 41.821 -2.621 2
1 180 . 1 1 A 21 21 TYR N N 21 123.200 122.931 0.269 2
1 181 . 1 1 A 22 22 VAL H H 22 9.400 8.566 0.834 2
1 182 . 1 1 A 22 22 VAL HA H 22 4.950 4.993 -0.043 2
1 190 . 1 1 A 22 22 VAL C C 22 174.000 174.264 -0.264 2
1 191 . 1 1 A 22 22 VAL CA C 22 57.100 59.104 -2.004 2
1 192 . 1 1 A 22 22 VAL CB C 22 33.900 35.747 -1.847 2
1 195 . 1 1 A 22 22 VAL N N 22 119.100 117.611 1.489 2
1 196 . 1 1 A 23 23 CYS H H 23 9.020 8.638 0.382 2
1 197 . 1 1 A 23 23 CYS HA H 23 4.260 4.688 -0.428 2
1 200 . 1 1 A 23 23 CYS C C 23 178.700 175.874 2.826 2
1 201 . 1 1 A 23 23 CYS CA C 23 60.600 59.190 1.410 2
1 202 . 1 1 A 23 23 CYS CB C 23 31.700 28.744 2.956 2
1 203 . 1 1 A 23 23 CYS N N 23 123.800 122.261 1.539 2
1 204 . 1 1 A 24 24 ALA H H 24 8.760 8.956 -0.196 2
1 205 . 1 1 A 24 24 ALA HA H 24 3.840 4.103 -0.263 2
1 209 . 1 1 A 24 24 ALA C C 24 177.500 179.049 -1.549 2
1 210 . 1 1 A 24 24 ALA CA C 24 55.000 54.942 0.058 2
1 211 . 1 1 A 24 24 ALA CB C 24 18.700 18.509 0.191 2
1 212 . 1 1 A 24 24 ALA N N 24 131.900 128.936 2.964 2
1 213 . 1 1 A 25 25 LYS H H 25 9.200 7.815 1.385 2
1 214 . 1 1 A 25 25 LYS HA H 25 4.380 4.392 -0.012 2
1 222 . 1 1 A 25 25 LYS C C 25 178.100 178.676 -0.576 2
1 223 . 1 1 A 25 25 LYS CA C 25 57.900 58.272 -0.372 2
1 224 . 1 1 A 25 25 LYS CB C 25 33.500 33.568 -0.068 2
1 228 . 1 1 A 25 25 LYS N N 25 120.000 116.728 3.273 2
1 229 . 1 1 A 26 26 CYS H H 26 8.730 8.046 0.684 2
1 230 . 1 1 A 26 26 CYS HA H 26 5.000 4.258 0.742 2
1 233 . 1 1 A 26 26 CYS C C 26 177.000 175.188 1.812 2
1 234 . 1 1 A 26 26 CYS CA C 26 59.400 62.373 -2.973 2
1 235 . 1 1 A 26 26 CYS CB C 26 32.900 27.585 5.315 2
1 236 . 1 1 A 26 26 CYS N N 26 120.900 118.311 2.589 2
1 237 . 1 1 A 27 27 SER H H 27 8.170 8.165 0.005 2
1 238 . 1 1 A 27 27 SER HA H 27 4.140 4.379 -0.239 2
1 241 . 1 1 A 27 27 SER C C 27 174.800 173.916 0.885 2
1 242 . 1 1 A 27 27 SER CA C 27 60.900 59.384 1.516 2
1 243 . 1 1 A 27 27 SER CB C 27 61.600 61.093 0.507 2
1 244 . 1 1 A 27 27 SER N N 27 115.800 115.460 0.340 2
1 245 . 1 1 A 28 28 TYR H H 28 9.010 7.909 1.101 2
1 246 . 1 1 A 28 28 TYR HA H 28 4.420 4.744 -0.324 2
1 249 . 1 1 A 28 28 TYR C C 28 176.600 174.955 1.645 2
1 250 . 1 1 A 28 28 TYR CA C 28 59.300 57.029 2.270 2
1 251 . 1 1 A 28 28 TYR CB C 28 39.600 39.105 0.495 2
1 252 . 1 1 A 28 28 TYR N N 28 127.100 122.884 4.216 2
1 253 . 1 1 A 29 29 GLU H H 29 7.730 8.730 -1.000 2
1 254 . 1 1 A 29 29 GLU HA H 29 3.670 4.749 -1.079 2
1 259 . 1 1 A 29 29 GLU C C 29 174.900 176.602 -1.702 2
1 260 . 1 1 A 29 29 GLU CA C 29 58.700 56.953 1.747 2
1 261 . 1 1 A 29 29 GLU CB C 29 29.800 29.994 -0.194 2
1 263 . 1 1 A 29 29 GLU N N 29 124.500 127.169 -2.669 2
1 264 . 1 1 A 30 30 LEU H H 30 7.940 8.832 -0.892 2
1 265 . 1 1 A 30 30 LEU HA H 30 4.140 5.096 -0.956 2
1 274 . 1 1 A 30 30 LEU C C 30 175.400 175.475 -0.075 2
1 275 . 1 1 A 30 30 LEU CA C 30 56.200 53.559 2.641 2
1 276 . 1 1 A 30 30 LEU CB C 30 46.700 45.371 1.329 2
1 277 . 1 1 A 30 30 LEU N N 30 121.800 121.469 0.331 2
1 278 . 1 1 A 31 31 PHE H H 31 7.880 8.799 -0.919 2
1 279 . 1 1 A 31 31 PHE HA H 31 4.720 4.903 -0.183 2
1 282 . 1 1 A 31 31 PHE C C 31 174.600 173.281 1.319 2
1 283 . 1 1 A 31 31 PHE CA C 31 56.600 57.723 -1.123 2
1 284 . 1 1 A 31 31 PHE CB C 31 45.300 41.809 3.491 2
1 285 . 1 1 A 31 31 PHE N N 31 113.300 121.138 -7.838 2
1 286 . 1 1 A 32 32 SER H H 32 10.030 8.289 1.742 2
1 287 . 1 1 A 32 32 SER HA H 32 4.860 4.692 0.168 2
1 290 . 1 1 A 32 32 SER CA C 32 57.000 56.795 0.205 2
1 291 . 1 1 A 32 32 SER CB C 32 63.700 65.284 -1.584 2
1 292 . 1 1 A 32 32 SER N N 32 118.700 119.468 -0.768 2
1 293 . 1 1 A 33 33 SER H H 33 8.990 8.730 0.260 2
1 294 . 1 1 A 33 33 SER HA H 33 4.840 4.354 0.485 2
1 297 . 1 1 A 33 33 SER C C 33 177.300 175.402 1.898 2
1 298 . 1 1 A 33 33 SER CA C 33 63.700 60.147 3.553 2
1 299 . 1 1 A 33 33 SER CB C 33 63.700 63.478 0.222 2
1 300 . 1 1 A 33 33 SER N N 33 123.100 118.982 4.118 2
1 301 . 1 1 A 34 34 HIS HA H 34 4.710 4.424 0.286 2
1 304 . 1 1 A 34 34 HIS C C 34 175.800 177.058 -1.258 2
1 305 . 1 1 A 34 34 HIS CA C 34 57.900 57.935 -0.035 2
1 306 . 1 1 A 34 34 HIS CB C 34 28.600 30.259 -1.659 2
1 307 . 1 1 A 35 35 SER H H 35 7.960 7.640 0.320 2
1 308 . 1 1 A 35 35 SER HA H 35 4.820 4.155 0.665 2
1 311 . 1 1 A 35 35 SER C C 35 173.200 174.256 -1.056 2
1 312 . 1 1 A 35 35 SER CA C 35 58.100 60.711 -2.611 2
1 313 . 1 1 A 35 35 SER CB C 35 65.300 62.805 2.495 2
1 314 . 1 1 A 35 35 SER N N 35 114.500 112.950 1.550 2
1 315 . 1 1 A 36 36 LYS H H 36 7.630 7.489 0.141 2
1 316 . 1 1 A 36 36 LYS HA H 36 4.890 4.683 0.207 2
1 322 . 1 1 A 36 36 LYS C C 36 176.100 174.642 1.458 2
1 323 . 1 1 A 36 36 LYS CA C 36 55.400 54.773 0.627 2
1 324 . 1 1 A 36 36 LYS CB C 36 35.400 35.315 0.085 2
1 328 . 1 1 A 36 36 LYS N N 36 126.900 119.808 7.092 2
1 329 . 1 1 A 37 37 TYR H H 37 8.440 8.621 -0.182 2
1 330 . 1 1 A 37 37 TYR HA H 37 5.100 5.326 -0.226 2
1 333 . 1 1 A 37 37 TYR C C 37 172.800 174.268 -1.468 2
1 334 . 1 1 A 37 37 TYR CA C 37 55.400 56.052 -0.652 2
1 335 . 1 1 A 37 37 TYR CB C 37 41.000 42.545 -1.545 2
1 336 . 1 1 A 37 37 TYR N N 37 124.200 120.053 4.147 2
1 337 . 1 1 A 38 38 ALA H H 38 8.590 8.620 -0.030 2
1 338 . 1 1 A 38 38 ALA HA H 38 4.630 4.885 -0.255 2
1 342 . 1 1 A 38 38 ALA C C 38 175.900 176.882 -0.982 2
1 343 . 1 1 A 38 38 ALA CA C 38 52.500 51.349 1.151 2
1 344 . 1 1 A 38 38 ALA CB C 38 18.300 20.064 -1.764 2
1 345 . 1 1 A 38 38 ALA N N 38 125.100 123.801 1.299 2
1 346 . 1 1 A 39 39 HIS H H 39 8.080 8.747 -0.667 2
1 347 . 1 1 A 39 39 HIS HA H 39 4.620 5.011 -0.391 2
1 352 . 1 1 A 39 39 HIS C C 39 174.100 172.767 1.333 2
1 353 . 1 1 A 39 39 HIS CA C 39 57.000 55.963 1.037 2
1 354 . 1 1 A 39 39 HIS CB C 39 34.600 33.255 1.345 2
1 355 . 1 1 A 39 39 HIS N N 39 125.600 121.699 3.901 2
1 356 . 1 1 A 40 40 SER H H 40 6.860 8.374 -1.514 2
1 357 . 1 1 A 40 40 SER HA H 40 4.060 4.893 -0.833 2
1 360 . 1 1 A 40 40 SER C C 40 174.900 173.299 1.601 2
1 361 . 1 1 A 40 40 SER CA C 40 58.800 57.425 1.375 2
1 362 . 1 1 A 40 40 SER CB C 40 62.700 63.954 -1.254 2
1 363 . 1 1 A 40 40 SER N N 40 118.700 121.043 -2.343 2
1 364 . 1 1 A 41 41 SER H H 41 9.140 8.797 0.343 2
1 365 . 1 1 A 41 41 SER HA H 41 4.480 4.884 -0.404 2
1 368 . 1 1 A 41 41 SER C C 41 173.600 171.597 2.003 2
1 369 . 1 1 A 41 41 SER CA C 41 57.800 56.718 1.082 2
1 370 . 1 1 A 41 41 SER CB C 41 63.600 65.558 -1.959 2
1 371 . 1 1 A 41 41 SER N N 41 122.500 120.248 2.252 2
1 372 . 1 1 A 42 42 PRO HA H 42 4.040 4.150 -0.110 2
1 379 . 1 1 A 42 42 PRO C C 42 174.900 176.647 -1.747 2
1 380 . 1 1 A 42 42 PRO CA C 42 63.700 63.018 0.682 2
1 381 . 1 1 A 42 42 PRO CB C 42 31.500 31.919 -0.419 2
1 384 . 1 1 A 43 43 TRP H H 43 6.590 7.909 -1.319 2
1 385 . 1 1 A 43 43 TRP HA H 43 4.850 4.088 0.762 2
1 394 . 1 1 A 43 43 TRP C C 43 174.100 174.972 -0.872 2
1 395 . 1 1 A 43 43 TRP CA C 43 57.300 57.661 -0.361 2
1 396 . 1 1 A 43 43 TRP CB C 43 29.500 27.403 2.097 2
1 397 . 1 1 A 43 43 TRP N N 43 113.900 117.355 -3.455 2
1 399 . 1 1 A 44 44 PRO HA H 44 3.810 4.670 -0.860 2
1 405 . 1 1 A 44 44 PRO C C 44 174.800 175.708 -0.908 2
1 406 . 1 1 A 44 44 PRO CA C 44 63.200 62.663 0.537 2
1 407 . 1 1 A 44 44 PRO CB C 44 32.200 32.719 -0.519 2
1 410 . 1 1 A 45 45 ALA H H 45 7.850 8.224 -0.374 2
1 411 . 1 1 A 45 45 ALA HA H 45 5.260 4.678 0.582 2
1 415 . 1 1 A 45 45 ALA C C 45 174.800 175.401 -0.601 2
1 416 . 1 1 A 45 45 ALA CA C 45 50.100 50.820 -0.720 2
1 417 . 1 1 A 45 45 ALA CB C 45 20.800 23.436 -2.636 2
1 418 . 1 1 A 45 45 ALA N N 45 126.700 120.501 6.199 2
1 419 . 1 1 A 46 46 PHE H H 46 8.080 8.389 -0.309 2
1 420 . 1 1 A 46 46 PHE HA H 46 5.860 5.038 0.822 2
1 424 . 1 1 A 46 46 PHE C C 46 177.800 175.957 1.843 2
1 425 . 1 1 A 46 46 PHE CA C 46 54.800 56.467 -1.667 2
1 426 . 1 1 A 46 46 PHE CB C 46 44.500 42.182 2.318 2
1 427 . 1 1 A 46 46 PHE N N 46 115.600 115.709 -0.109 2
1 428 . 1 1 A 47 47 THR H H 47 9.190 8.575 0.615 2
1 429 . 1 1 A 47 47 THR HA H 47 5.220 4.429 0.791 2
1 434 . 1 1 A 47 47 THR C C 47 175.000 174.588 0.412 2
1 435 . 1 1 A 47 47 THR CA C 47 63.000 64.870 -1.870 2
1 436 . 1 1 A 47 47 THR CB C 47 70.500 69.004 1.496 2
1 438 . 1 1 A 47 47 THR N N 47 109.900 115.304 -5.404 2
1 439 . 1 1 A 48 48 GLU H H 48 7.320 7.662 -0.342 2
1 440 . 1 1 A 48 48 GLU HA H 48 4.920 4.680 0.240 2
1 445 . 1 1 A 48 48 GLU C C 48 175.400 174.699 0.701 2
1 446 . 1 1 A 48 48 GLU CA C 48 55.200 54.560 0.640 2
1 447 . 1 1 A 48 48 GLU CB C 48 31.900 32.816 -0.916 2
1 449 . 1 1 A 48 48 GLU N N 48 115.400 118.957 -3.557 2
1 450 . 1 1 A 49 49 THR H H 49 8.150 8.306 -0.156 2
1 451 . 1 1 A 49 49 THR HA H 49 4.090 4.808 -0.718 2
1 456 . 1 1 A 49 49 THR C C 49 175.800 175.093 0.707 2
1 457 . 1 1 A 49 49 THR CA C 49 60.000 59.637 0.363 2
1 458 . 1 1 A 49 49 THR CB C 49 70.400 71.510 -1.111 2
1 460 . 1 1 A 49 49 THR N N 49 111.400 110.880 0.520 2
1 461 . 1 1 A 50 50 ILE H H 50 7.720 8.566 -0.846 2
1 462 . 1 1 A 50 50 ILE HA H 50 3.630 3.991 -0.361 2
1 472 . 1 1 A 50 50 ILE C C 50 174.500 176.307 -1.807 2
1 473 . 1 1 A 50 50 ILE CA C 50 64.100 62.590 1.510 2
1 474 . 1 1 A 50 50 ILE CB C 50 38.700 38.268 0.432 2
1 478 . 1 1 A 50 50 ILE N N 50 121.700 122.318 -0.618 2
1 479 . 1 1 A 51 51 HIS H H 51 7.400 7.742 -0.342 2
1 480 . 1 1 A 51 51 HIS HA H 51 5.300 4.577 0.723 2
1 484 . 1 1 A 51 51 HIS C C 51 175.500 173.764 1.736 2
1 485 . 1 1 A 51 51 HIS CA C 51 51.800 55.353 -3.553 2
1 486 . 1 1 A 51 51 HIS CB C 51 29.700 29.661 0.039 2
1 487 . 1 1 A 51 51 HIS N N 51 115.500 120.433 -4.933 2
1 488 . 1 1 A 52 52 PRO HA H 52 4.350 4.370 -0.020 2
1 495 . 1 1 A 52 52 PRO C C 52 176.900 176.382 0.518 2
1 496 . 1 1 A 52 52 PRO CA C 52 64.800 63.256 1.544 2
1 497 . 1 1 A 52 52 PRO CB C 52 31.300 32.505 -1.205 2
1 500 . 1 1 A 53 53 ASP H H 53 8.070 8.540 -0.470 2
1 501 . 1 1 A 53 53 ASP HA H 53 4.760 4.523 0.237 2
1 504 . 1 1 A 53 53 ASP C C 53 176.900 176.905 -0.005 2
1 505 . 1 1 A 53 53 ASP CA C 53 52.100 54.696 -2.596 2
1 506 . 1 1 A 53 53 ASP CB C 53 39.700 40.245 -0.545 2
1 507 . 1 1 A 53 53 ASP N N 53 114.300 120.302 -6.002 2
1 508 . 1 1 A 54 54 SER H H 54 7.720 7.983 -0.263 2
1 509 . 1 1 A 54 54 SER HA H 54 4.040 4.502 -0.462 2
1 512 . 1 1 A 54 54 SER C C 54 173.200 174.181 -0.981 2
1 513 . 1 1 A 54 54 SER CA C 54 64.100 59.411 4.689 2
1 514 . 1 1 A 54 54 SER CB C 54 64.200 63.984 0.216 2
1 515 . 1 1 A 54 54 SER N N 54 116.300 114.264 2.036 2
1 516 . 1 1 A 55 55 VAL H H 55 7.360 7.407 -0.047 2
1 517 . 1 1 A 55 55 VAL HA H 55 5.280 4.545 0.735 2
1 525 . 1 1 A 55 55 VAL C C 55 175.700 174.528 1.172 2
1 526 . 1 1 A 55 55 VAL CA C 55 57.300 60.397 -3.097 2
1 527 . 1 1 A 55 55 VAL CB C 55 34.800 34.072 0.728 2
1 530 . 1 1 A 55 55 VAL N N 55 105.200 117.582 -12.382 2
1 531 . 1 1 A 56 56 THR H H 56 8.780 8.512 0.268 2
1 532 . 1 1 A 56 56 THR HA H 56 4.530 5.084 -0.554 2
1 537 . 1 1 A 56 56 THR C C 56 173.800 173.001 0.799 2
1 538 . 1 1 A 56 56 THR CA C 56 60.500 59.983 0.517 2
1 539 . 1 1 A 56 56 THR CB C 56 70.400 71.772 -1.372 2
1 541 . 1 1 A 56 56 THR N N 56 116.000 117.015 -1.015 2
1 542 . 1 1 A 57 57 LYS H H 57 8.610 8.886 -0.276 2
1 543 . 1 1 A 57 57 LYS HA H 57 5.490 5.260 0.230 2
1 550 . 1 1 A 57 57 LYS C C 57 176.000 174.894 1.106 2
1 551 . 1 1 A 57 57 LYS CA C 57 54.600 54.164 0.436 2
1 552 . 1 1 A 57 57 LYS CB C 57 36.000 36.690 -0.690 2
1 556 . 1 1 A 57 57 LYS N N 57 121.900 124.220 -2.320 2
1 557 . 1 1 A 58 58 CYS H H 58 8.610 8.998 -0.388 2
1 558 . 1 1 A 58 58 CYS HA H 58 5.100 5.046 0.054 2
1 561 . 1 1 A 58 58 CYS CA C 58 55.200 56.472 -1.272 2
1 562 . 1 1 A 58 58 CYS CB C 58 29.700 30.699 -0.999 2
1 563 . 1 1 A 58 58 CYS N N 58 120.600 117.621 2.979 2
1 564 . 1 1 A 59 59 PRO HA H 59 4.590 4.518 0.072 2
1 571 . 1 1 A 59 59 PRO C C 59 176.600 176.754 -0.154 2
1 572 . 1 1 A 59 59 PRO CA C 59 63.700 62.344 1.356 2
1 573 . 1 1 A 59 59 PRO CB C 59 32.100 32.049 0.051 2
1 576 . 1 1 A 60 60 GLU H H 60 8.630 8.158 0.472 2
1 577 . 1 1 A 60 60 GLU HA H 60 4.450 4.487 -0.036 2
1 582 . 1 1 A 60 60 GLU C C 60 176.900 177.020 -0.120 2
1 583 . 1 1 A 60 60 GLU CA C 60 55.700 56.374 -0.674 2
1 584 . 1 1 A 60 60 GLU CB C 60 30.500 30.389 0.111 2
1 586 . 1 1 A 60 60 GLU N N 60 123.900 121.182 2.718 2
1 587 . 1 1 A 61 61 LYS H H 61 8.780 8.655 0.125 2
1 588 . 1 1 A 61 61 LYS HA H 61 3.930 4.486 -0.556 2
1 596 . 1 1 A 61 61 LYS C C 61 177.100 177.558 -0.458 2
1 597 . 1 1 A 61 61 LYS CA C 61 58.300 57.077 1.223 2
1 598 . 1 1 A 61 61 LYS CB C 61 31.900 33.988 -2.088 2
1 602 . 1 1 A 61 61 LYS N N 61 127.000 121.312 5.688 2
1 603 . 1 1 A 62 62 ASN H H 62 8.870 8.290 0.580 2
1 604 . 1 1 A 62 62 ASN HA H 62 4.520 4.760 -0.240 2
1 609 . 1 1 A 62 62 ASN C C 62 174.400 175.334 -0.934 2
1 610 . 1 1 A 62 62 ASN CA C 62 54.000 52.972 1.028 2
1 611 . 1 1 A 62 62 ASN CB C 62 38.000 38.341 -0.341 2
1 612 . 1 1 A 62 62 ASN N N 62 117.000 115.013 1.987 2
1 613 . 1 1 A 63 63 ARG H H 63 7.430 7.679 -0.249 2
1 614 . 1 1 A 63 63 ARG HA H 63 4.810 4.786 0.024 2
1 622 . 1 1 A 63 63 ARG C C 63 172.300 174.254 -1.954 2
1 623 . 1 1 A 63 63 ARG CA C 63 53.800 53.667 0.133 2
1 624 . 1 1 A 63 63 ARG CB C 63 31.300 30.910 0.390 2
1 627 . 1 1 A 63 63 ARG N N 63 119.200 119.628 -0.428 2
1 629 . 1 1 A 64 64 PRO HA H 64 4.350 4.521 -0.171 2
1 636 . 1 1 A 64 64 PRO C C 64 176.900 175.939 0.961 2
1 637 . 1 1 A 64 64 PRO CA C 64 64.200 62.933 1.267 2
1 638 . 1 1 A 64 64 PRO CB C 64 31.800 29.828 1.972 2
1 641 . 1 1 A 65 65 GLU H H 65 9.210 8.619 0.591 2
1 642 . 1 1 A 65 65 GLU HA H 65 4.280 4.488 -0.208 2
1 647 . 1 1 A 65 65 GLU C C 65 174.300 175.039 -0.739 2
1 648 . 1 1 A 65 65 GLU CA C 65 56.600 55.904 0.696 2
1 649 . 1 1 A 65 65 GLU CB C 65 28.200 31.293 -3.093 2
1 651 . 1 1 A 65 65 GLU N N 65 117.000 119.707 -2.707 2
1 652 . 1 1 A 66 66 ALA H H 66 8.040 7.094 0.946 2
1 653 . 1 1 A 66 66 ALA HA H 66 5.230 4.229 1.001 2
1 657 . 1 1 A 66 66 ALA C C 66 174.900 174.962 -0.062 2
1 658 . 1 1 A 66 66 ALA CA C 66 50.300 51.268 -0.968 2
1 659 . 1 1 A 66 66 ALA CB C 66 22.200 22.032 0.168 2
1 660 . 1 1 A 66 66 ALA N N 66 124.800 120.295 4.505 2
1 661 . 1 1 A 67 67 LEU H H 67 8.710 8.399 0.311 2
1 662 . 1 1 A 67 67 LEU HA H 67 4.800 5.034 -0.234 2
1 672 . 1 1 A 67 67 LEU C C 67 177.200 175.527 1.673 2
1 673 . 1 1 A 67 67 LEU CA C 67 52.800 53.326 -0.526 2
1 674 . 1 1 A 67 67 LEU CB C 67 43.200 45.930 -2.730 2
1 678 . 1 1 A 67 67 LEU N N 67 120.400 118.194 2.206 2
1 679 . 1 1 A 68 68 LYS H H 68 9.180 8.915 0.265 2
1 680 . 1 1 A 68 68 LYS HA H 68 4.050 4.588 -0.538 2
1 689 . 1 1 A 68 68 LYS C C 68 176.900 175.239 1.661 2
1 690 . 1 1 A 68 68 LYS CA C 68 57.100 54.792 2.308 2
1 691 . 1 1 A 68 68 LYS CB C 68 32.600 34.645 -2.045 2
1 695 . 1 1 A 68 68 LYS N N 68 125.300 121.053 4.247 2
1 696 . 1 1 A 69 69 VAL H H 69 8.150 8.550 -0.400 2
1 697 . 1 1 A 69 69 VAL HA H 69 5.240 4.849 0.391 2
1 705 . 1 1 A 69 69 VAL C C 69 174.900 174.579 0.321 2
1 706 . 1 1 A 69 69 VAL CA C 69 59.900 60.786 -0.886 2
1 707 . 1 1 A 69 69 VAL CB C 69 34.700 34.479 0.221 2
1 710 . 1 1 A 69 69 VAL N N 69 121.600 123.935 -2.335 2
1 711 . 1 1 A 70 70 SER H H 70 8.610 8.784 -0.174 2
1 712 . 1 1 A 70 70 SER HA H 70 5.210 5.018 0.192 2
1 715 . 1 1 A 70 70 SER C C 70 171.900 172.472 -0.572 2
1 716 . 1 1 A 70 70 SER CA C 70 56.600 56.849 -0.249 2
1 717 . 1 1 A 70 70 SER CB C 70 65.600 66.164 -0.564 2
1 718 . 1 1 A 70 70 SER N N 70 120.600 119.377 1.223 2
1 719 . 1 1 A 71 71 CYS H H 71 9.280 8.567 0.713 2
1 720 . 1 1 A 71 71 CYS HA H 71 4.130 4.567 -0.438 2
1 723 . 1 1 A 71 71 CYS C C 71 178.600 175.235 3.365 2
1 724 . 1 1 A 71 71 CYS CA C 71 61.600 58.094 3.506 2
1 725 . 1 1 A 71 71 CYS CB C 71 31.300 26.792 4.508 2
1 726 . 1 1 A 71 71 CYS N N 71 126.700 121.945 4.755 2
1 727 . 1 1 A 72 72 GLY H H 72 9.140 8.324 0.816 2
1 728 . 1 1 A 72 72 GLY HA2 H 72 3.760 3.869 -0.109 2
1 729 . 1 1 A 72 72 GLY HA3 H 72 3.670 3.872 -0.202 2
1 730 . 1 1 A 72 72 GLY C C 72 172.500 175.910 -3.410 2
1 731 . 1 1 A 72 72 GLY CA C 72 46.200 47.207 -1.007 2
1 732 . 1 1 A 72 72 GLY N N 72 120.100 113.832 6.268 2
1 733 . 1 1 A 73 73 LYS H H 73 9.090 8.026 1.064 2
1 734 . 1 1 A 73 73 LYS HA H 73 4.210 4.045 0.165 2
1 742 . 1 1 A 73 73 LYS C C 73 177.600 178.217 -0.617 2
1 743 . 1 1 A 73 73 LYS CA C 73 56.600 59.126 -2.526 2
1 744 . 1 1 A 73 73 LYS CB C 73 32.700 32.166 0.534 2
1 748 . 1 1 A 73 73 LYS N N 73 124.400 120.916 3.484 2
1 749 . 1 1 A 74 74 CYS H H 74 8.590 7.660 0.930 2
1 750 . 1 1 A 74 74 CYS HA H 74 4.910 4.601 0.309 2
1 753 . 1 1 A 74 74 CYS C C 74 177.400 175.497 1.903 2
1 754 . 1 1 A 74 74 CYS CA C 74 58.900 58.889 0.011 2
1 755 . 1 1 A 74 74 CYS CB C 74 33.300 29.679 3.621 2
1 756 . 1 1 A 74 74 CYS N N 74 119.700 114.517 5.183 2
1 757 . 1 1 A 75 75 GLY H H 75 7.760 8.766 -1.006 2
1 758 . 1 1 A 75 75 GLY HA2 H 75 4.210 3.967 0.243 2
1 759 . 1 1 A 75 75 GLY HA3 H 75 3.750 3.971 -0.221 2
1 760 . 1 1 A 75 75 GLY C C 75 174.000 173.917 0.083 2
1 761 . 1 1 A 75 75 GLY CA C 75 46.100 46.441 -0.341 2
1 762 . 1 1 A 75 75 GLY N N 75 113.000 110.934 2.066 2
1 763 . 1 1 A 76 76 ASN H H 76 9.050 7.783 1.267 2
1 764 . 1 1 A 76 76 ASN HA H 76 4.500 5.112 -0.612 2
1 769 . 1 1 A 76 76 ASN C C 76 178.700 174.075 4.625 2
1 770 . 1 1 A 76 76 ASN CA C 76 54.700 51.407 3.293 2
1 771 . 1 1 A 76 76 ASN CB C 76 39.800 40.645 -0.845 2
1 772 . 1 1 A 76 76 ASN N N 76 123.700 118.489 5.211 2
1 774 . 1 1 A 77 77 GLY H H 77 8.660 8.441 0.219 2
1 775 . 1 1 A 77 77 GLY HA2 H 77 3.970 4.182 -0.212 2
1 776 . 1 1 A 77 77 GLY HA3 H 77 3.710 4.197 -0.487 2
1 777 . 1 1 A 77 77 GLY C C 77 173.800 174.473 -0.673 2
1 778 . 1 1 A 77 77 GLY CA C 77 47.300 45.564 1.736 2
1 779 . 1 1 A 77 77 GLY N N 77 115.600 108.623 6.977 2
1 780 . 1 1 A 78 78 LEU H H 78 8.600 8.476 0.124 2
1 781 . 1 1 A 78 78 LEU HA H 78 4.810 4.420 0.391 2
1 791 . 1 1 A 78 78 LEU C C 78 173.800 176.684 -2.884 2
1 792 . 1 1 A 78 78 LEU CA C 78 54.900 55.846 -0.946 2
1 793 . 1 1 A 78 78 LEU CB C 78 45.000 43.072 1.928 2
1 797 . 1 1 A 78 78 LEU N N 78 122.700 121.272 1.428 2
1 798 . 1 1 A 79 79 GLY H H 79 7.100 7.480 -0.380 2
1 799 . 1 1 A 79 79 GLY HA2 H 79 4.650 4.161 0.489 2
1 800 . 1 1 A 79 79 GLY HA3 H 79 3.020 4.251 -1.231 2
1 801 . 1 1 A 79 79 GLY C C 79 173.000 172.179 0.821 2
1 802 . 1 1 A 79 79 GLY CA C 79 44.900 45.009 -0.109 2
1 803 . 1 1 A 79 79 GLY N N 79 102.400 106.540 -4.140 2
1 804 . 1 1 A 80 80 HIS H H 80 8.580 8.791 -0.211 2
1 805 . 1 1 A 80 80 HIS HA H 80 5.470 5.331 0.139 2
1 810 . 1 1 A 80 80 HIS C C 80 172.300 173.817 -1.517 2
1 811 . 1 1 A 80 80 HIS CA C 80 55.000 54.626 0.374 2
1 812 . 1 1 A 80 80 HIS CB C 80 34.500 34.165 0.335 2
1 813 . 1 1 A 80 80 HIS N N 80 122.400 119.194 3.206 2
1 814 . 1 1 A 81 81 GLU H H 81 9.260 9.219 0.041 2
1 815 . 1 1 A 81 81 GLU HA H 81 4.100 4.700 -0.600 2
1 820 . 1 1 A 81 81 GLU C C 81 174.300 175.032 -0.732 2
1 821 . 1 1 A 81 81 GLU CA C 81 54.700 55.381 -0.681 2
1 822 . 1 1 A 81 81 GLU CB C 81 31.600 32.629 -1.029 2
1 824 . 1 1 A 81 81 GLU N N 81 123.700 120.918 2.782 2
1 825 . 1 1 A 82 82 PHE H H 82 9.150 9.048 0.102 2
1 826 . 1 1 A 82 82 PHE HA H 82 5.080 4.752 0.328 2
1 830 . 1 1 A 82 82 PHE C C 82 174.300 174.683 -0.383 2
1 831 . 1 1 A 82 82 PHE CA C 82 56.700 57.432 -0.732 2
1 832 . 1 1 A 82 82 PHE CB C 82 38.800 39.002 -0.202 2
1 833 . 1 1 A 82 82 PHE N N 82 126.900 128.584 -1.684 2
1 834 . 1 1 A 83 83 LEU H H 83 8.280 8.450 -0.170 2
1 835 . 1 1 A 83 83 LEU HA H 83 4.100 4.713 -0.613 2
1 845 . 1 1 A 83 83 LEU C C 83 176.200 175.656 0.544 2
1 846 . 1 1 A 83 83 LEU CA C 83 55.500 53.433 2.067 2
1 847 . 1 1 A 83 83 LEU CB C 83 42.000 44.786 -2.786 2
1 849 . 1 1 A 83 83 LEU N N 83 126.900 126.243 0.657 2
1 850 . 1 1 A 84 84 ASN H H 84 9.260 8.826 0.434 2
1 851 . 1 1 A 84 84 ASN HA H 84 4.290 4.385 -0.095 2
1 856 . 1 1 A 84 84 ASN C C 84 174.400 174.368 0.032 2
1 857 . 1 1 A 84 84 ASN CA C 84 54.800 54.796 0.004 2
1 858 . 1 1 A 84 84 ASN CB C 84 37.900 37.214 0.686 2
1 859 . 1 1 A 84 84 ASN N N 84 116.900 118.929 -2.029 2
1 861 . 1 1 A 85 85 ASP H H 85 7.140 8.035 -0.895 2
1 862 . 1 1 A 85 85 ASP HA H 85 5.200 4.911 0.289 2
1 865 . 1 1 A 85 85 ASP C C 85 176.000 176.228 -0.228 2
1 866 . 1 1 A 85 85 ASP CA C 85 53.800 54.624 -0.824 2
1 867 . 1 1 A 85 85 ASP CB C 85 45.500 43.090 2.410 2
1 868 . 1 1 A 85 85 ASP N N 85 117.200 118.204 -1.004 2
1 869 . 1 1 A 86 86 GLY H H 86 8.230 8.021 0.209 2
1 870 . 1 1 A 86 86 GLY HA2 H 86 4.140 4.411 -0.271 2
1 871 . 1 1 A 86 86 GLY HA3 H 86 3.280 4.424 -1.144 2
1 872 . 1 1 A 86 86 GLY C C 86 171.700 173.887 -2.187 2
1 873 . 1 1 A 86 86 GLY CA C 86 44.600 46.242 -1.642 2
1 874 . 1 1 A 86 86 GLY N N 86 107.600 106.569 1.031 2
1 875 . 1 1 A 87 87 PRO HA H 87 4.190 4.406 -0.216 2
1 882 . 1 1 A 87 87 PRO C C 87 177.000 177.877 -0.877 2
1 883 . 1 1 A 87 87 PRO CA C 87 65.200 64.589 0.611 2
1 884 . 1 1 A 87 87 PRO CB C 87 31.700 31.960 -0.260 2
1 887 . 1 1 A 88 88 LYS H H 88 7.310 8.138 -0.828 2
1 888 . 1 1 A 88 88 LYS HA H 88 4.480 4.337 0.143 2
1 897 . 1 1 A 88 88 LYS C C 88 175.700 176.953 -1.253 2
1 898 . 1 1 A 88 88 LYS CA C 88 53.700 57.809 -4.109 2
1 899 . 1 1 A 88 88 LYS CB C 88 34.900 32.778 2.122 2
1 903 . 1 1 A 88 88 LYS N N 88 116.200 117.154 -0.954 2
1 904 . 1 1 A 89 89 ARG H H 89 8.320 7.865 0.455 2
1 905 . 1 1 A 89 89 ARG HA H 89 4.010 4.252 -0.242 2
1 912 . 1 1 A 89 89 ARG C C 89 177.500 177.600 -0.100 2
1 913 . 1 1 A 89 89 ARG CA C 89 57.900 56.886 1.014 2
1 914 . 1 1 A 89 89 ARG CB C 89 32.100 31.002 1.098 2
1 917 . 1 1 A 89 89 ARG N N 89 122.200 120.180 2.020 2
1 919 . 1 1 A 90 90 GLY H H 90 8.950 8.652 0.298 2
1 920 . 1 1 A 90 90 GLY HA2 H 90 4.240 3.936 0.304 2
1 921 . 1 1 A 90 90 GLY HA3 H 90 3.850 3.942 -0.092 2
1 922 . 1 1 A 90 90 GLY C C 90 175.000 174.114 0.886 2
1 923 . 1 1 A 90 90 GLY CA C 90 45.100 45.520 -0.420 2
1 924 . 1 1 A 90 90 GLY N N 90 115.100 111.200 3.900 2
1 925 . 1 1 A 91 91 GLN H H 91 8.120 7.747 0.373 2
1 926 . 1 1 A 91 91 GLN HA H 91 4.580 4.429 0.151 2
1 933 . 1 1 A 91 91 GLN C C 91 177.000 175.383 1.617 2
1 934 . 1 1 A 91 91 GLN CA C 91 55.900 56.246 -0.346 2
1 935 . 1 1 A 91 91 GLN CB C 91 31.000 30.014 0.986 2
1 937 . 1 1 A 91 91 GLN N N 91 120.900 120.493 0.407 2
1 938 . 1 1 A 92 92 SER H H 92 9.210 8.840 0.370 2
1 939 . 1 1 A 92 92 SER HA H 92 4.820 5.005 -0.185 2
1 942 . 1 1 A 92 92 SER C C 92 171.600 172.922 -1.322 2
1 943 . 1 1 A 92 92 SER CA C 92 57.700 58.020 -0.320 2
1 944 . 1 1 A 92 92 SER CB C 92 65.200 65.243 -0.043 2
1 945 . 1 1 A 92 92 SER N N 92 120.900 115.955 4.945 2
1 946 . 1 1 A 93 93 ARG H H 93 7.820 8.741 -0.921 2
1 947 . 1 1 A 93 93 ARG HA H 93 4.950 5.066 -0.116 2
1 952 . 1 1 A 93 93 ARG C C 93 176.400 174.438 1.962 2
1 953 . 1 1 A 93 93 ARG CA C 93 55.200 54.853 0.347 2
1 954 . 1 1 A 93 93 ARG CB C 93 34.600 32.738 1.862 2
1 957 . 1 1 A 93 93 ARG N N 93 117.800 124.266 -6.466 2
1 958 . 1 1 A 94 94 PHE H H 94 9.860 9.111 0.749 2
1 959 . 1 1 A 94 94 PHE HA H 94 4.780 5.370 -0.590 2
1 962 . 1 1 A 94 94 PHE C C 94 176.400 174.014 2.386 2
1 963 . 1 1 A 94 94 PHE CA C 94 58.300 56.115 2.185 2
1 964 . 1 1 A 94 94 PHE CB C 94 38.500 41.058 -2.558 2
1 965 . 1 1 A 94 94 PHE N N 94 127.100 123.341 3.759 2
1 966 . 1 1 A 95 95 CYS H H 95 9.190 8.784 0.406 2
1 967 . 1 1 A 95 95 CYS HA H 95 4.810 4.781 0.029 2
1 970 . 1 1 A 95 95 CYS CA C 95 57.300 57.952 -0.652 2
1 971 . 1 1 A 95 95 CYS CB C 95 28.700 28.875 -0.175 2
1 972 . 1 1 A 95 95 CYS N N 95 128.200 125.392 2.807 2
1 973 . 1 1 A 96 96 ILE H H 96 7.510 8.719 -1.209 2
1 974 . 1 1 A 96 96 ILE HA H 96 4.620 4.895 -0.275 2
1 983 . 1 1 A 96 96 ILE C C 96 173.700 174.680 -0.980 2
1 984 . 1 1 A 96 96 ILE CA C 96 55.800 59.389 -3.590 2
1 985 . 1 1 A 96 96 ILE CB C 96 39.900 41.098 -1.198 2
1 989 . 1 1 A 96 96 ILE N N 96 130.700 126.938 3.762 2
1 990 . 1 1 A 97 97 PHE H H 97 8.040 8.759 -0.719 2
1 991 . 1 1 A 97 97 PHE HA H 97 4.920 4.861 0.059 2
1 994 . 1 1 A 97 97 PHE C C 97 178.800 176.969 1.831 2
1 995 . 1 1 A 97 97 PHE CA C 97 57.500 57.672 -0.172 2
1 996 . 1 1 A 97 97 PHE CB C 97 38.400 40.554 -2.154 2
1 997 . 1 1 A 97 97 PHE N N 97 122.400 125.735 -3.335 2
1 998 . 1 1 A 98 98 SER HA H 98 4.380 4.404 -0.024 2
1 1001 . 1 1 A 98 98 SER C C 98 176.400 176.042 0.358 2
1 1002 . 1 1 A 98 98 SER CA C 98 64.900 60.573 4.327 2
1 1003 . 1 1 A 98 98 SER CB C 98 63.600 63.502 0.098 2
1 1004 . 1 1 A 99 99 SER H H 99 9.360 8.034 1.326 2
1 1005 . 1 1 A 99 99 SER HA H 99 4.300 4.386 -0.086 2
1 1008 . 1 1 A 99 99 SER C C 99 175.800 176.167 -0.367 2
1 1009 . 1 1 A 99 99 SER CA C 99 60.200 60.039 0.161 2
1 1010 . 1 1 A 99 99 SER CB C 99 62.700 62.981 -0.281 2
1 1011 . 1 1 A 99 99 SER N N 99 114.100 117.088 -2.988 2
1 1012 . 1 1 A 100 100 SER H H 100 8.150 8.077 0.073 2
1 1013 . 1 1 A 100 100 SER HA H 100 4.630 4.440 0.190 2
1 1016 . 1 1 A 100 100 SER C C 100 173.500 174.316 -0.816 2
1 1017 . 1 1 A 100 100 SER CA C 100 60.400 60.949 -0.549 2
1 1018 . 1 1 A 100 100 SER CB C 100 63.600 64.013 -0.413 2
1 1019 . 1 1 A 100 100 SER N N 100 118.700 115.006 3.694 2
1 1020 . 1 1 A 101 101 LEU H H 101 8.100 7.775 0.325 2
1 1021 . 1 1 A 101 101 LEU HA H 101 5.570 4.840 0.730 2
1 1031 . 1 1 A 101 101 LEU C C 101 176.000 174.694 1.306 2
1 1032 . 1 1 A 101 101 LEU CA C 101 53.400 53.699 -0.299 2
1 1033 . 1 1 A 101 101 LEU CB C 101 46.700 44.783 1.917 2
1 1036 . 1 1 A 101 101 LEU N N 101 122.000 116.638 5.362 2
1 1037 . 1 1 A 102 102 LYS H H 102 8.950 8.304 0.646 2
1 1038 . 1 1 A 102 102 LYS HA H 102 4.710 5.021 -0.311 2
1 1045 . 1 1 A 102 102 LYS C C 102 174.400 174.795 -0.395 2
1 1046 . 1 1 A 102 102 LYS CA C 102 55.400 54.442 0.958 2
1 1047 . 1 1 A 102 102 LYS CB C 102 36.500 35.991 0.509 2
1 1051 . 1 1 A 102 102 LYS N N 102 119.500 118.871 0.629 2
1 1052 . 1 1 A 103 103 PHE H H 103 9.010 8.876 0.134 2
1 1053 . 1 1 A 103 103 PHE HA H 103 4.750 5.045 -0.295 2
1 1056 . 1 1 A 103 103 PHE C C 103 173.900 173.446 0.454 2
1 1057 . 1 1 A 103 103 PHE CA C 103 57.100 55.419 1.681 2
1 1058 . 1 1 A 103 103 PHE CB C 103 41.300 41.903 -0.603 2
1 1059 . 1 1 A 103 103 PHE N N 103 124.500 123.130 1.370 2
1 1060 . 1 1 A 104 104 VAL H H 104 8.550 8.674 -0.124 2
1 1061 . 1 1 A 104 104 VAL HA H 104 4.140 4.628 -0.488 2
1 1069 . 1 1 A 104 104 VAL C C 104 172.800 173.626 -0.826 2
1 1070 . 1 1 A 104 104 VAL CA C 104 58.800 58.580 0.220 2
1 1071 . 1 1 A 104 104 VAL CB C 104 32.300 33.158 -0.858 2
1 1074 . 1 1 A 104 104 VAL N N 104 132.000 127.893 4.107 2
1 1075 . 1 1 A 105 105 PRO HA H 105 4.110 4.335 -0.225 2
1 1082 . 1 1 A 105 105 PRO C C 105 176.400 176.549 -0.149 2
1 1083 . 1 1 A 105 105 PRO CA C 105 62.400 62.497 -0.097 2
1 1084 . 1 1 A 105 105 PRO CB C 105 32.400 32.073 0.327 2
1 1087 . 1 1 A 106 106 LYS H H 106 7.900 8.392 -0.492 2
1 1088 . 1 1 A 106 106 LYS HA H 106 4.170 4.419 -0.249 2
1 1096 . 1 1 A 106 106 LYS C C 106 176.900 176.305 0.595 2
1 1097 . 1 1 A 106 106 LYS CA C 106 56.700 55.936 0.764 2
1 1098 . 1 1 A 106 106 LYS CB C 106 33.500 33.855 -0.355 2
1 1102 . 1 1 A 106 106 LYS N N 106 123.200 121.833 1.367 2
1 1103 . 1 1 A 107 107 GLY H H 107 8.740 8.468 0.272 2
1 1104 . 1 1 A 107 107 GLY HA2 H 107 3.930 4.039 -0.109 2
1 1105 . 1 1 A 107 107 GLY HA3 H 107 3.960 4.053 -0.093 2
1 1106 . 1 1 A 107 107 GLY C C 107 174.000 174.968 -0.968 2
1 1107 . 1 1 A 107 107 GLY CA C 107 45.000 46.075 -1.075 2
1 1108 . 1 1 A 107 107 GLY N N 107 113.500 109.142 4.358 2
1 1109 . 1 1 A 108 108 LYS H H 108 8.240 8.292 -0.052 2
1 1110 . 1 1 A 108 108 LYS HA H 108 4.290 4.173 0.117 2
1 1118 . 1 1 A 108 108 LYS C C 108 176.700 178.480 -1.780 2
1 1119 . 1 1 A 108 108 LYS CA C 108 56.000 58.467 -2.467 2
1 1120 . 1 1 A 108 108 LYS CB C 108 32.700 32.889 -0.189 2
1 1124 . 1 1 A 108 108 LYS N N 108 121.500 120.945 0.555 2
1 1125 . 1 1 A 109 109 GLU H H 109 8.650 8.038 0.612 2
1 1126 . 1 1 A 109 109 GLU HA H 109 4.180 4.147 0.033 2
1 1131 . 1 1 A 109 109 GLU C C 109 176.500 176.230 0.270 2
1 1132 . 1 1 A 109 109 GLU CA C 109 56.600 59.155 -2.555 2
1 1133 . 1 1 A 109 109 GLU CB C 109 29.900 29.695 0.205 2
1 1135 . 1 1 A 109 109 GLU N N 109 122.800 119.291 3.509 2
1 1136 . 1 1 A 110 110 ALA H H 110 8.400 7.866 0.534 2
1 1137 . 1 1 A 110 110 ALA HA H 110 4.190 4.012 0.178 2
1 1141 . 1 1 A 110 110 ALA CA C 110 52.500 53.712 -1.212 2
1 1142 . 1 1 A 110 110 ALA CB C 110 19.000 17.802 1.198 2
1 1143 . 1 1 A 110 110 ALA N N 110 126.100 121.377 4.723 2
1 1144 . 1 1 A 111 111 ALA H H 111 8.240 8.502 -0.262 2
1 1145 . 1 1 A 111 111 ALA HA H 111 4.220 3.969 0.251 2
1 1149 . 1 1 A 111 111 ALA C C 111 177.800 176.805 0.995 2
1 1150 . 1 1 A 111 111 ALA CA C 111 52.600 54.034 -1.434 2
1 1151 . 1 1 A 111 111 ALA CB C 111 19.000 17.953 1.047 2
1 1152 . 1 1 A 111 111 ALA N N 111 123.800 117.651 6.149 2
1 1153 . 1 1 A 112 112 ALA H H 112 8.220 8.558 -0.338 2
1 1154 . 1 1 A 112 112 ALA HA H 112 4.250 4.052 0.198 2
1 1158 . 1 1 A 112 112 ALA C C 112 178.100 176.534 1.566 2
1 1159 . 1 1 A 112 112 ALA CA C 112 52.600 53.377 -0.777 2
1 1160 . 1 1 A 112 112 ALA CB C 112 19.100 17.949 1.151 2
1 1161 . 1 1 A 112 112 ALA N N 112 123.600 117.968 5.632 2
1 1162 . 1 1 A 113 113 SER H H 113 8.200 8.071 0.129 2
1 1163 . 1 1 A 113 113 SER HA H 113 4.360 4.859 -0.499 2
1 1166 . 1 1 A 113 113 SER C C 113 174.800 173.215 1.585 2
1 1167 . 1 1 A 113 113 SER CA C 113 58.300 57.374 0.926 2
1 1168 . 1 1 A 113 113 SER CB C 113 63.500 64.479 -0.979 2
1 1169 . 1 1 A 113 113 SER N N 113 115.400 111.949 3.451 2
1 1170 . 1 1 A 114 114 GLN H H 114 8.320 8.555 -0.235 2
1 1171 . 1 1 A 114 114 GLN HA H 114 4.290 4.678 -0.388 2
1 1178 . 1 1 A 114 114 GLN C C 114 176.500 175.615 0.885 2
1 1179 . 1 1 A 114 114 GLN CA C 114 55.900 55.365 0.535 2
1 1180 . 1 1 A 114 114 GLN CB C 114 29.300 30.789 -1.489 2
1 1182 . 1 1 A 114 114 GLN N N 114 122.500 122.602 -0.102 2
1 1183 . 1 1 A 115 115 GLY H H 115 8.370 8.532 -0.162 2
1 1184 . 1 1 A 115 115 GLY HA2 H 115 3.850 4.178 -0.328 2
1 1185 . 1 1 A 115 115 GLY HA3 H 115 3.850 4.230 -0.380 2
1 1186 . 1 1 A 115 115 GLY C C 115 173.900 172.425 1.475 2
1 1187 . 1 1 A 115 115 GLY CA C 115 45.400 45.219 0.181 2
1 1188 . 1 1 A 115 115 GLY N N 115 110.000 109.429 0.571 2
1 1189 . 1 1 A 116 116 HIS H H 116 8.290 8.578 -0.288 2
1 1190 . 1 1 A 116 116 HIS HA H 116 4.620 5.214 -0.594 2
1 1195 . 1 1 A 116 116 HIS C C 116 174.600 172.716 1.884 2
1 1196 . 1 1 A 116 116 HIS CA C 116 55.500 54.558 0.942 2
1 1197 . 1 1 A 116 116 HIS CB C 116 29.100 32.117 -3.017 2
1 1198 . 1 1 A 116 116 HIS N N 116 119.100 117.258 1.842 2
1 1199 . 1 1 A 117 117 LEU H H 117 8.220 8.638 -0.418 2
1 1200 . 1 1 A 117 117 LEU HA H 117 4.240 4.645 -0.405 2
1 1210 . 1 1 A 117 117 LEU C C 117 174.600 175.803 -1.203 2
1 1211 . 1 1 A 117 117 LEU CA C 117 55.100 54.137 0.963 2
1 1212 . 1 1 A 117 117 LEU CB C 117 42.300 44.146 -1.846 2
1 1216 . 1 1 A 117 117 LEU N N 117 124.100 121.645 2.455 2
1 1217 . 1 1 A 118 118 GLU H H 118 8.350 8.893 -0.543 2
1 1218 . 1 1 A 118 118 GLU HA H 118 4.160 5.120 -0.960 2
1 1223 . 1 1 A 118 118 GLU C C 118 176.000 174.793 1.207 2
1 1224 . 1 1 A 118 118 GLU CA C 118 56.300 54.984 1.316 2
1 1225 . 1 1 A 118 118 GLU CB C 118 30.300 33.273 -2.973 2
1 1227 . 1 1 A 118 118 GLU N N 118 122.300 119.367 2.933 2
1 1228 . 1 1 A 119 119 HIS H H 119 8.410 8.574 -0.164 2
1 1229 . 1 1 A 119 119 HIS HA H 119 4.570 5.176 -0.605 2
1 1232 . 1 1 A 119 119 HIS C C 119 174.500 173.383 1.117 2
1 1233 . 1 1 A 119 119 HIS CA C 119 55.400 54.600 0.800 2
1 1234 . 1 1 A 119 119 HIS CB C 119 29.400 32.022 -2.622 2
1 1235 . 1 1 A 119 119 HIS N N 119 120.500 116.406 4.094 2
1 1236 . 1 1 A 120 120 HIS H H 120 8.530 8.598 -0.068 2
1 1237 . 1 1 A 120 120 HIS HA H 120 4.640 4.813 -0.173 2
1 1240 . 1 1 A 120 120 HIS C C 120 174.400 173.840 0.560 2
1 1241 . 1 1 A 120 120 HIS CA C 120 57.900 55.722 2.178 2
1 1242 . 1 1 A 120 120 HIS CB C 120 29.400 32.051 -2.651 2
stop_
save_